#DEFINITION	Reference Metabolome for Arundina graminifolia
#IDENTTFIER	RefMeta-Arundina graminifolia.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Arundina graminifolia
#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 Arundina graminifolia was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06593	0.2
71.01343	0.1
71.04996	0.5
71.50663	0.1
74.42851	0.1
77.03925	0.3
79.05486	1.0
81.03414	10.8
82.03755	0.1
83.01330	0.3
83.04978	0.1
85.02899	1.4
86.09682	0.1
91.05477	57.7
92.05810	0.6
95.04971	0.8
97.02887	5.6
99.03832	0.2
99.04450	2.0
103.03896	0.2
103.05422	0.4
105.03394	1.3
105.04503	0.3
105.06382	0.2
105.07029	1.9
107.04951	24.3
108.05299	0.2
109.02873	21.4
110.03175	0.2
111.04420	0.1
115.05447	5.8
117.07013	4.0
117.07852	0.2
119.04927	1.2
123.04475	0.1
125.02353	0.2
127.03912	31.7
128.04251	0.3
129.03380	0.1
129.07007	0.3
131.04944	0.3
133.06488	11.4
134.06807	0.2
136.11276	0.1
139.03912	0.5
141.05487	0.2
141.06958	0.2
143.04916	2.6
143.08578	0.2
145.05035	0.4
145.06476	1.1
147.04401	0.4
151.03873	0.1
153.06938	0.2
155.06041	0.2
155.08549	0.2
157.06487	0.4
159.04388	0.3
161.05971	100.0
162.06326	1.7
162.07600	0.2
165.07014	0.2
167.08534	0.3
169.04959	7.8
170.05296	0.1
171.04402	6.7
171.08047	0.3
173.05968	0.1
179.07027	16.8
180.07327	0.2
180.08739	0.1
181.06470	0.3
183.08035	0.3
185.05931	0.1
187.04414	0.1
187.06033	0.5
189.05464	3.3
195.08112	0.3
197.05962	0.2
199.03897	0.1
199.07500	0.6
201.05505	0.1
205.04941	0.3
207.06451	0.7
209.05983	0.4
211.05963	0.8
211.07570	0.1
215.07042	0.1
217.08551	0.2
221.08115	0.3
223.07491	0.6
225.09207	0.2
227.07034	0.3
229.07063	4.4
230.07271	0.1
231.06432	0.4
239.06973	0.3
243.10204	0.2
247.08224	0.1
249.07582	13.0
250.07925	0.3
251.06879	0.3
257.08032	0.2
269.08081	1.4
285.07590	0.2
287.09140	7.1
288.09305	0.2
289.09186	1.8
297.07703	0.4
302.44452	0.1
305.10193	0.5
315.08606	16.7
316.08875	0.6
333.09671	1.1
347.11279	1.0
357.09503	0.3
375.10742	4.0
376.10782	0.1
393.11707	0.2
407.13315	0.6
417.11841	0.1
435.12854	1.2
436.13428	0.2
477.13757	0.4
495.14963	6.1
496.15286	0.3
582.57709	0.1
701.20636	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	0.9
71.51484	0.5
77.03938	0.3
79.05481	1.7
81.03418	10.5
85.02910	1.7
91.05479	55.4
92.05814	0.6
93.40532	0.2
95.04980	0.8
97.02889	6.1
99.04467	1.6
103.04007	0.3
103.05502	0.3
105.03403	1.5
105.04516	0.7
105.07025	1.8
107.04955	54.2
108.05306	0.6
109.02879	22.6
115.05452	5.9
117.07017	3.5
119.04971	1.3
127.03917	29.4
128.04303	0.3
129.07014	0.3
133.06491	11.1
139.03894	0.6
141.05524	0.5
143.04918	2.1
145.04924	0.3
145.06500	1.2
147.04466	0.3
153.06874	0.3
155.58948	0.2
161.05974	100.0
162.06271	1.9
169.04968	9.5
171.04414	6.7
171.07993	0.6
179.07033	17.7
180.07388	0.3
181.06528	0.4
184.27579	0.3
187.06024	0.9
189.05484	4.5
195.08078	0.3
199.07530	0.8
203.07108	0.4
205.04993	0.3
207.06534	0.7
209.05959	0.4
211.06050	0.9
221.08055	0.3
223.07661	0.3
229.07043	4.6
239.07074	0.4
249.07593	14.4
251.07028	0.3
269.07953	1.3
273.39795	0.3
287.09140	8.1
288.09238	0.3
289.09125	2.4
297.07681	0.4
305.10233	0.8
315.08621	19.5
316.08798	0.3
319.93222	0.3
333.09543	1.1
347.11282	1.0
357.09576	0.4
365.12170	0.5
375.10718	4.5
407.13199	0.7
417.22284	0.3
435.12683	1.7
469.24728	0.3
477.14044	0.5
495.15002	7.1
701.20740	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	1004.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04831	0.4
71.04998	0.4
77.03899	0.8
78.04723	0.1
79.05494	2.1
81.03418	7.7
83.01334	0.3
83.04981	0.1
85.02905	1.3
89.03934	0.1
91.05480	39.6
92.05795	0.5
95.04967	2.3
97.02892	4.6
99.04456	1.9
99.50723	0.1
103.03959	0.2
103.05486	0.2
105.03429	0.7
105.04514	1.4
105.07031	1.1
107.04955	100.0
108.05297	1.1
109.02876	16.1
115.05450	3.6
117.07026	2.4
118.06473	0.1
119.04939	0.9
125.02369	0.1
127.03917	24.1
128.04240	0.3
129.07036	0.2
131.04878	0.2
133.02811	0.1
133.06488	6.7
137.06035	0.2
139.03914	0.4
141.07025	0.1
142.77403	0.1
143.04919	1.7
143.08568	0.2
145.04968	2.2
145.06488	1.1
147.04427	0.3
153.06953	0.2
155.08574	0.1
157.06509	0.2
159.04407	0.2
161.05975	69.4
162.06322	1.3
167.08519	0.2
169.04962	6.7
171.04407	5.4
171.08070	0.2
172.04881	0.1
178.12442	0.1
179.07031	13.2
180.07359	0.1
181.06448	0.2
185.05858	0.1
187.06068	0.9
187.07553	0.2
189.05467	3.0
195.08032	0.2
197.05977	0.2
197.09669	0.1
199.07562	0.4
202.08649	0.1
203.07092	0.1
205.05014	0.2
205.06963	0.2
207.06572	0.6
209.05986	0.2
211.05936	0.6
215.07115	0.2
217.04782	0.1
221.08147	0.4
223.07507	0.3
225.09157	0.1
227.07013	0.2
229.07071	3.1
231.06514	0.5
239.07094	0.2
241.08717	0.1
243.10216	0.2
247.08112	0.3
249.07588	9.8
250.08029	0.2
251.07077	0.2
254.14127	0.1
257.07993	0.2
267.08698	0.1
269.08081	1.2
285.07333	0.1
287.09137	5.7
288.09497	0.1
289.09140	1.4
296.04053	0.1
297.07529	0.3
305.10196	0.8
315.08618	12.4
316.08948	0.3
333.09622	1.3
347.11191	1.1
357.09641	0.3
375.10733	4.7
376.10941	0.1
393.11835	1.2
407.13342	0.4
417.11462	0.1
435.12881	1.1
449.45477	0.1
453.13895	1.1
454.14203	0.1
477.13907	0.2
495.15002	4.9
613.31580	0.1
623.49170	0.1
661.11646	0.1
701.20813	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06587	0.8
70.34592	0.3
71.18909	0.6
75.89934	0.2
76.91865	0.2
77.03905	0.5
79.05484	2.5
79.87923	0.3
81.03420	5.2
83.01077	0.3
84.08140	0.3
85.02914	1.9
85.46542	0.3
86.09721	0.3
91.05485	8.2
92.05803	0.7
95.04981	2.7
97.02884	2.0
98.21375	0.3
99.04469	0.8
103.03948	1.1
105.04512	1.0
107.04957	75.1
108.05297	2.5
109.02880	5.6
110.03275	0.3
115.05453	0.5
117.07059	0.8
119.04935	0.3
119.26927	0.3
125.02126	0.9
127.03922	7.6
127.04831	0.6
128.04253	0.5
129.03108	0.3
129.04370	0.3
133.06537	0.5
143.04924	0.3
145.06464	0.3
147.04509	0.4
149.02132	0.9
157.06296	0.5
161.05978	4.7
162.06329	1.3
163.06450	0.5
169.04988	1.8
171.04454	0.6
179.07111	1.5
181.05029	0.3
187.06090	0.4
191.03235	1.1
201.05203	2.4
209.04262	1.1
211.68802	0.3
229.04832	0.4
229.07074	0.7
233.04294	0.3
247.05789	25.7
248.06186	0.3
251.05270	2.1
269.06308	2.4
288.09427	0.3
289.06860	1.6
295.07867	0.3
311.07352	5.0
316.09079	0.3
329.08456	5.1
344.43875	0.3
355.07938	3.2
373.08997	6.8
397.09137	0.8
409.11618	0.4
413.12042	0.4
415.09988	10.1
416.10495	0.6
433.10797	0.4
457.10977	3.1
469.15390	0.3
473.14392	0.4
475.12161	10.0
475.18835	0.5
476.12192	0.5
493.13406	0.9
515.15228	3.9
517.13184	7.6
535.14264	18.0
536.14502	0.5
536.57117	0.3
557.16486	0.4
589.46399	0.3
697.19012	0.3
699.19165	3.8
723.18756	0.6
741.19989	100.0
742.20386	5.6
785.23712	0.5
803.23303	0.4
847.24597	0.7
903.25403	3.3
1009.29510	23.5
1010.29449	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	4.1
60.36099	1.6
61.80643	1.7
68.42995	1.6
71.26530	3.4
79.00597	1.7
82.99838	8.7
83.01519	18.7
84.01205	3.4
84.77496	2.0
100.02427	1.8
101.00888	68.1
101.02567	22.6
101.90203	1.7
102.02253	4.2
104.01465	1.8
119.01928	100.0
119.03665	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.1
53.14400	0.1
55.01884	0.9
55.05519	1.2
56.05040	2.3
56.05819	0.1
56.96571	10.4
57.03439	0.9
58.00561	0.1
58.06602	0.3
58.96178	0.5
58.99873	2.3
59.05001	0.9
59.52192	0.5
59.93105	0.3
59.95485	0.1
59.96161	0.1
59.99939	0.5
60.00646	0.1
60.01380	0.3
60.04527	0.1
60.95848	0.4
61.02936	0.7
65.52200	0.6
66.00523	0.3
66.52088	0.1
66.52974	0.2
68.00272	1.3
68.02655	0.8
68.98302	0.1
68.99795	0.3
69.01052	0.2
69.01933	0.6
69.03421	0.2
69.48386	0.1
70.98127	1.9
70.99867	3.2
71.01357	0.7
71.04976	0.1
71.50655	0.2
71.52190	0.3
71.95284	0.7
72.08157	0.1
72.52975	0.4
72.93785	0.1
72.96045	0.1
73.02919	1.3
73.52848	0.3
73.94836	0.1
74.00257	0.4
74.02446	2.1
74.06094	0.9
74.09727	0.6
74.52739	0.1
74.97640	0.3
75.01053	0.9
75.01919	0.2
76.02692	0.1
77.00883	3.3
77.52170	0.2
78.00991	0.3
78.52962	0.3
79.01851	0.4
80.00221	0.2
80.52708	0.4
81.03413	0.1
81.53502	0.1
82.01450	1.9
82.99327	0.2
82.99841	3.0
83.00761	0.4
83.01503	2.5
83.04993	0.6
83.06937	0.1
84.01176	0.6
84.01630	0.1
84.04510	0.8
84.08155	0.6
84.52961	0.3
84.96037	0.3
85.01398	0.3
85.02889	0.6
85.51926	0.2
86.01296	0.2
86.52691	0.2
86.99327	0.2
87.00821	0.2
87.01926	0.2
87.52558	0.1
88.99167	0.5
89.00259	0.3
89.00865	2.3
89.03411	0.1
90.01530	0.1
92.01331	0.1
95.01361	0.2
95.01949	0.8
96.02103	0.2
97.00143	0.1
98.01310	0.7
98.52686	0.1
98.97589	2.2
99.02461	0.1
100.02492	3.9
101.00890	34.1
101.02543	8.2
101.06029	0.4
101.07145	0.3
101.07957	0.5
101.10789	0.2
102.00941	0.6
102.02240	1.3
102.05551	0.7
102.12822	1.2
103.00610	0.1
103.02439	0.6
105.00372	0.1
107.00176	0.1
107.01884	0.4
107.53184	0.1
110.97556	0.8
111.00473	0.2
113.00858	0.3
114.04029	0.3
115.01192	0.3
115.02451	0.3
116.98647	0.9
117.96003	0.2
118.03534	1.8
119.01930	100.0
119.03658	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95557	0.7
51.14399	0.6
53.03943	0.9
55.01880	6.5
55.05517	13.4
55.05922	0.6
56.05039	18.1
56.96571	35.4
57.03446	4.6
58.00582	1.5
58.57955	0.5
58.96173	1.8
58.99880	4.4
59.05011	5.7
59.06128	1.3
59.52206	1.3
59.93113	1.0
59.95501	0.8
59.96196	1.0
59.99935	1.3
60.04539	1.7
60.95850	2.2
61.02937	1.9
66.00519	0.9
68.00270	3.4
68.02656	2.0
68.99797	0.8
69.01052	1.1
69.03430	1.1
69.19402	0.7
70.99866	4.8
71.01363	4.0
71.10739	1.2
71.95276	3.1
72.52970	3.2
73.02920	11.4
73.52824	0.7
74.00273	2.3
74.02447	21.4
74.06090	7.4
75.01056	4.9
75.01906	0.7
77.00858	6.7
78.52979	0.9
79.01876	1.8
81.03444	0.7
82.01456	3.3
82.02739	0.9
82.99841	2.9
83.00797	4.9
83.01509	5.7
83.04977	6.4
83.71168	0.7
84.01617	2.2
84.04511	8.3
84.08150	2.1
84.52951	0.8
84.96026	1.2
85.02923	4.8
86.52721	2.1
87.01919	1.2
87.52564	1.0
89.00325	0.9
89.00806	3.5
91.50258	0.8
95.01965	1.4
96.65341	0.8
98.01286	0.8
98.97591	11.0
100.02502	7.3
101.00891	35.9
101.02491	22.2
101.06036	2.9
101.07194	1.9
101.07969	3.3
102.02247	3.6
102.05554	6.3
102.09181	1.0
110.97592	3.7
113.00890	1.2
115.01215	0.9
116.98615	4.0
118.03530	2.9
119.01929	100.0
119.03629	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	1016.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04997	1.7
71.24496	0.7
71.24836	0.7
73.01134	1.5
74.06079	0.8
76.02233	27.7
76.04006	1.9
79.05497	21.6
80.05012	3.7
80.81906	0.7
81.03439	0.8
81.05806	1.3
81.07059	31.7
82.06596	1.5
83.04994	1.8
83.06106	5.9
83.08625	4.1
84.04507	13.3
84.04978	1.3
85.01128	2.1
85.02874	1.0
85.06558	2.1
86.00654	7.0
86.09689	0.9
86.99042	4.5
87.02690	2.6
88.02225	4.6
91.05488	16.8
93.07044	27.0
94.06580	3.1
94.07214	0.6
95.04955	3.2
95.08614	18.4
96.04507	1.9
97.01122	9.7
97.02879	1.3
97.06533	2.7
98.00645	0.7
99.02686	2.6
99.05588	2.1
99.08090	0.9
100.02237	1.4
101.04274	1.2
102.05539	4.6
105.04506	1.0
105.07033	9.7
106.06568	1.5
107.04966	1.3
107.06113	0.9
107.08603	11.3
108.04504	1.4
108.08150	1.6
109.06538	1.4
109.10165	6.2
111.02672	13.6
111.08085	3.2
112.02199	1.6
113.04227	1.3
114.03745	4.6
114.05553	0.8
116.01680	22.3
116.06297	0.7
117.07014	5.7
119.08573	5.6
120.08112	1.2
121.10146	8.6
123.02637	3.0
123.08105	0.8
123.11721	2.6
124.02164	1.5
125.04243	1.7
126.03768	1.0
127.05801	0.9
129.06573	6.8
130.05002	6.4
131.08574	7.9
133.10133	8.4
135.11694	5.7
136.03940	2.5
137.04224	7.0
137.09660	0.8
141.04808	1.8
142.03226	11.5
142.04948	1.1
143.02814	1.8
144.01176	7.7
145.06152	1.4
145.10118	3.2
147.11679	3.8
149.04196	1.2
149.09641	2.1
149.13263	9.0
151.05765	2.4
151.11200	2.2
153.06609	1.9
154.03319	0.7
157.10178	0.7
159.11714	7.4
161.04265	1.2
161.13297	0.8
162.02196	19.2
165.07426	1.4
168.13800	0.8
170.02756	3.9
173.13263	3.3
174.12813	0.7
177.12755	6.0
179.04860	25.0
181.06155	2.1
183.08461	1.4
183.11739	1.5
186.07703	1.1
187.05322	4.2
189.03362	2.0
190.15932	0.9
191.08902	1.9
193.06151	1.0
194.15459	2.0
195.12285	0.7
195.13800	4.0
199.07233	1.3
201.12923	0.9
203.04881	1.0
206.15422	1.4
207.12105	2.9
208.06064	1.7
209.10075	0.9
212.16505	1.2
215.04897	3.4
217.10545	2.8
218.15491	2.3
219.13852	0.8
223.11456	1.1
224.16570	1.1
225.13112	1.5
226.12584	3.3
233.05927	6.9
235.11508	5.1
236.16525	0.8
245.05940	4.5
252.14125	13.6
253.12550	4.3
261.22198	1.3
268.19159	0.8
269.17499	8.1
270.15192	11.6
275.17606	0.8
280.13757	1.0
282.20578	1.0
289.05002	2.2
291.06467	1.4
298.14835	2.1
308.09109	11.5
326.18015	2.3
327.17218	3.2
335.25827	20.2
336.16357	0.7
344.18872	1.9
355.16809	5.0
371.16711	1.1
373.17944	1.5
380.21011	1.0
381.18619	1.7
399.19321	1.0
427.19189	2.2
429.20496	6.0
429.33298	0.6
430.19186	1.0
439.19067	0.9
447.21722	3.9
457.20193	1.0
498.47458	0.7
501.22818	1.1
502.22098	4.1
513.22601	1.0
529.39038	8.7
547.39056	0.8
558.25446	1.2
564.38678	0.7
576.25916	2.3
587.37726	1.1
594.27386	1.3
604.40332	11.2
615.61536	0.7
622.41211	4.1
632.39691	1.5
640.42218	1.9
689.42426	5.3
690.40741	0.9
707.42999	100.0
708.43103	6.9
725.44073	20.3
726.44946	1.2
733.43744	1.1
761.44336	4.0
773.44958	0.8
779.45197	19.1
780.45306	1.2
818.46271	3.8
836.47333	10.2
837.46344	2.2
854.48328	60.4
855.48871	4.1
932.49829	1.1
941.50311	1.4
998.51019	0.9
1016.53235	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	1016.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05003	1.4
71.51298	1.2
75.46524	1.0
76.02236	28.2
76.04003	1.9
76.09560	0.9
79.05497	21.0
80.05023	3.6
81.03426	1.9
81.05839	1.7
81.07063	32.7
82.06608	1.2
83.04993	1.9
83.06094	6.5
83.08614	5.8
84.04523	12.1
85.01135	3.0
85.02905	1.9
85.06526	1.0
86.00661	5.8
86.09718	2.5
86.99068	4.7
87.02705	1.5
88.02219	5.0
89.38642	1.0
91.05491	18.7
93.07053	27.8
94.06580	3.4
95.04964	2.7
95.08614	20.2
96.04489	1.7
96.08127	1.4
97.01115	9.5
97.02897	2.0
97.06539	2.9
98.06065	1.1
99.02682	1.6
99.05602	1.5
100.02251	1.1
102.05524	4.9
105.04587	1.3
105.07046	9.2
106.06577	1.4
107.04951	1.2
107.08601	13.3
108.04516	1.0
109.10157	6.9
111.02679	16.1
111.08102	2.3
112.02192	1.1
114.03778	4.2
114.05534	1.5
116.01691	22.3
117.07034	5.8
119.08598	4.5
120.08116	1.6
121.10171	9.2
123.02641	2.2
123.08097	1.2
123.11726	3.0
125.09658	1.1
126.03772	2.1
129.06572	5.8
130.05017	6.4
131.04909	1.1
131.08588	7.3
133.10138	8.2
134.05826	1.0
135.11671	5.2
136.03970	3.9
137.04182	7.0
137.09598	1.2
137.13359	1.4
137.79884	1.1
141.04828	2.1
142.03250	12.1
143.02702	1.3
143.08524	1.4
144.01149	6.7
145.06100	1.9
145.10101	3.1
147.11691	2.9
149.04225	1.2
149.13271	8.0
151.05835	1.3
151.11211	1.2
153.06641	1.9
157.10228	1.2
159.11732	6.3
161.04297	1.8
161.13280	2.9
162.02222	20.5
162.12708	1.1
170.02719	4.7
173.13280	2.9
175.14882	1.7
177.12752	4.9
179.04863	26.4
181.06094	2.5
182.13814	0.9
183.08449	1.3
183.11664	1.2
184.07376	1.2
185.09229	1.3
186.34967	1.0
187.05428	4.0
189.03319	3.3
193.06126	1.7
194.15408	1.3
195.13858	2.6
207.12083	1.9
208.06100	1.2
213.14815	1.1
215.04904	4.1
217.10513	2.3
218.15446	2.4
223.11490	1.3
224.14574	1.2
224.16498	1.5
225.13135	1.7
226.12619	3.3
227.05005	1.6
233.05885	5.4
235.11464	5.8
237.13110	1.9
245.05925	4.5
252.14125	16.9
253.12688	2.7
261.22308	1.6
269.17502	8.8
270.15250	8.5
280.13602	1.3
289.04990	1.6
290.15967	1.4
298.14774	2.3
308.09143	11.9
326.17825	2.1
327.17300	3.5
335.25806	25.4
344.19168	3.6
355.16852	3.5
399.19406	1.7
411.57571	1.0
427.18713	1.2
429.20599	2.7
430.18921	1.3
447.21649	4.3
502.21960	3.4
513.23114	1.2
519.23865	1.5
529.38928	9.8
576.26013	2.8
594.26904	1.8
604.40399	11.2
622.41565	5.0
632.39392	1.6
689.41931	5.4
707.43018	100.0
708.43268	5.0
725.44025	20.5
726.43860	1.3
733.43756	1.5
761.43439	3.9
779.45135	22.0
780.45557	2.0
818.45746	2.8
836.34772	1.1
836.47333	11.8
837.45758	2.9
854.48340	68.0
855.47620	3.0
941.50134	1.8
1016.52692	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	1018.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56608	0.6
74.21104	0.3
77.03941	1.2
79.05495	2.1
81.03419	7.0
85.02899	0.6
91.05481	90.3
92.05813	1.0
95.04961	2.5
97.02905	1.3
99.04456	1.5
105.04515	1.3
107.04957	100.0
108.05305	0.9
109.02884	14.6
115.05445	5.0
117.06999	1.6
119.04903	2.0
127.03922	20.7
131.08601	1.0
133.06485	1.3
138.25978	0.3
139.03911	0.7
143.04930	2.9
145.06480	0.6
147.08083	0.6
159.08086	0.4
161.05984	10.2
169.04980	8.3
171.04427	4.6
175.07523	1.2
179.07037	7.4
189.05479	2.6
193.08607	60.8
194.08986	0.8
195.08028	0.4
199.07619	0.6
203.07018	9.1
211.06006	1.1
217.08720	0.5
221.08090	3.6
229.07080	6.6
231.06535	1.2
235.09694	4.3
263.09152	55.0
264.09552	1.2
269.08200	0.6
287.09103	0.6
288.59509	0.4
289.09161	3.9
301.10754	0.5
315.08853	0.4
347.11298	0.5
347.53113	0.4
357.09439	0.5
389.12259	2.4
500.40234	0.3
509.16437	4.4
540.69672	0.3
715.22168	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	1018.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56608	0.6
74.21104	0.3
77.03941	1.2
79.05495	2.1
81.03419	7.0
85.02899	0.6
91.05481	90.3
92.05813	1.0
95.04961	2.5
97.02905	1.3
99.04456	1.5
105.04515	1.3
107.04957	100.0
108.05305	0.9
109.02884	14.6
115.05445	5.0
117.06999	1.6
119.04903	2.0
127.03922	20.7
131.08601	1.0
133.06485	1.3
138.25978	0.3
139.03911	0.7
143.04930	2.9
145.06480	0.6
147.08083	0.6
159.08086	0.4
161.05984	10.2
169.04980	8.3
171.04427	4.6
175.07523	1.2
179.07037	7.4
189.05479	2.6
193.08607	60.8
194.08986	0.8
195.08028	0.4
199.07619	0.6
203.07018	9.1
211.06006	1.1
217.08720	0.5
221.08090	3.6
229.07080	6.6
231.06535	1.2
235.09694	4.3
263.09152	55.0
264.09552	1.2
269.08200	0.6
287.09103	0.6
288.59509	0.4
289.09161	3.9
301.10754	0.5
315.08853	0.4
347.11298	0.5
347.53113	0.4
357.09439	0.5
389.12259	2.4
500.40234	0.3
509.16437	4.4
540.69672	0.3
715.22168	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	1024.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04985	0.2
77.03919	0.4
78.51495	0.1
79.05071	0.1
79.05497	1.3
81.03422	2.4
83.01336	0.2
84.60141	0.1
85.02905	4.2
88.64729	0.1
91.05484	0.3
95.04974	1.2
97.02892	3.8
99.04456	1.2
103.03958	0.1
104.91370	0.1
105.04510	0.6
107.04956	100.0
108.05280	0.8
109.02877	9.2
110.03175	0.1
110.29377	0.1
117.07045	0.1
119.04918	0.1
127.03918	5.9
139.03900	0.5
145.04962	1.0
145.06110	0.1
145.06516	0.1
163.06102	0.1
163.96696	0.1
169.04967	1.8
169.29109	0.1
175.56503	0.1
179.07002	0.2
181.83327	0.1
184.51492	0.1
187.06017	5.2
189.05557	0.1
207.06612	0.1
213.09125	1.2
225.07635	0.3
229.07108	1.5
247.08134	7.8
248.08554	0.1
326.68414	0.1
331.11841	0.3
387.91043	0.1
466.14853	0.1
474.23129	0.1
611.77338	0.1
891.86194	0.1
931.37244	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	1024.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04979	0.3
72.08157	0.1
77.03919	0.5
79.05493	1.3
81.03420	4.2
83.01323	0.1
83.05003	0.1
84.08145	0.2
85.02908	1.9
86.09706	0.3
91.05489	0.6
95.04975	1.6
97.02895	3.6
98.20854	0.1
98.21383	0.1
99.04467	1.1
100.46278	0.1
103.03951	0.2
103.05475	0.1
105.04521	0.8
107.04958	100.0
108.05282	0.8
109.02880	14.3
110.03168	0.1
117.07046	0.1
119.04918	0.1
120.08126	0.3
127.03922	7.7
129.10278	0.1
137.05988	0.3
139.03905	0.9
145.05005	0.4
145.06468	0.2
147.04417	0.2
151.03932	0.6
151.05083	0.1
152.04230	0.1
153.05489	0.2
161.05933	0.2
169.04974	1.9
179.07079	0.4
183.02507	0.1
187.06032	1.5
187.07510	0.1
189.05505	0.2
207.06573	0.1
213.09114	1.5
225.07564	0.2
225.79486	0.1
229.07092	0.2
247.08141	11.6
248.08595	0.1
274.38684	0.1
331.11761	0.3
333.41547	0.1
350.96185	0.1
453.13828	0.3
500.83984	0.1
552.87543	0.1
579.57776	0.1
592.04871	0.1
683.89227	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	1029.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
74.35483	0.1
75.02359	0.2
81.02983	0.2
81.03421	2.3
81.03867	0.2
84.11646	0.1
85.02908	1.2
86.09709	0.2
91.05486	13.5
95.04983	0.4
97.02898	0.6
99.04468	0.2
105.04575	0.1
107.04961	4.9
109.02889	0.9
111.00792	0.2
111.04404	0.2
119.04950	23.5
120.05270	0.3
121.02876	3.8
121.06494	0.1
123.04446	0.9
127.03904	0.3
131.04941	0.3
133.06535	0.2
139.03903	0.9
142.64771	0.1
145.06552	0.2
147.04417	100.0
148.04750	1.3
149.02388	0.2
151.03899	0.5
153.01822	0.3
155.04877	0.1
157.06519	0.6
161.05969	0.2
165.01872	0.6
165.05484	2.9
171.04401	0.3
173.05995	0.2
183.02992	0.2
185.06006	0.5
187.03929	0.1
187.06100	0.1
189.05566	0.2
197.05974	0.1
201.05464	0.3
203.03445	0.3
203.07088	0.3
205.01315	0.2
211.03975	0.1
213.05464	0.8
215.03427	0.8
215.07065	0.2
217.01341	0.2
217.51782	0.1
227.03410	0.7
227.07054	0.2
229.01439	0.2
229.04916	0.8
231.06538	6.4
241.05013	0.3
243.06602	0.5
245.04552	0.5
245.08157	0.2
249.07396	0.2
255.06564	1.1
257.04550	1.3
257.08151	2.3
259.05978	0.1
269.04553	0.2
271.02386	4.0
271.05469	0.2
272.02701	0.1
273.04501	0.2
273.07559	1.7
281.04477	0.1
283.02432	0.5
283.06082	0.4
285.03964	6.9
286.04657	0.4
287.05511	6.2
289.00223	0.2
289.03452	3.5
291.08655	4.2
297.04053	0.6
297.07611	0.4
299.05508	5.3
300.06415	0.4
301.03476	0.2
303.04910	0.9
305.07990	0.2
309.09744	4.3
310.09976	0.1
311.05496	0.4
313.03549	0.2
313.07196	0.2
315.05029	0.1
315.08661	0.3
323.05475	0.3
327.04935	0.3
329.06577	2.5
335.09326	0.2
337.07053	0.3
339.05057	0.3
345.07584	0.2
349.07086	0.3
363.08801	0.3
391.03119	0.2
391.08167	3.6
392.08649	0.2
403.08185	0.3
404.58664	0.1
405.05286	0.8
405.10480	0.3
407.07715	0.2
415.08377	0.3
417.11664	0.2
423.07065	1.4
424.76324	0.1
433.09406	0.2
435.07196	1.2
435.12637	0.2
447.06967	0.3
488.75140	0.1
541.11328	0.5
559.12390	19.9
560.12909	0.8
563.15948	0.2
581.16589	0.2
601.13342	0.5
713.14630	0.2
915.85944	0.1
1021.43677	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	1029.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51099	0.4
73.02908	0.7
77.03965	0.3
79.05485	0.9
81.03420	3.2
83.04967	1.4
85.02907	28.4
87.04469	1.0
91.03951	0.6
91.05473	2.0
92.31392	0.3
95.04978	4.8
97.02887	4.6
99.00843	0.3
99.04449	0.8
103.03940	0.3
105.04494	0.3
105.07016	0.6
107.04957	43.3
107.84459	0.2
108.05300	0.4
109.02882	2.6
111.00793	1.7
111.04465	1.8
115.05431	0.3
119.04944	19.8
121.02872	18.2
121.03839	0.6
121.06489	0.7
123.04432	15.0
124.21609	0.3
127.03931	3.1
129.05489	2.9
129.06949	0.4
131.04927	1.6
133.02831	0.4
133.06516	2.2
135.04414	0.7
139.03903	29.9
140.04227	0.5
141.06987	0.4
145.04982	2.4
145.06480	1.5
147.04414	14.9
147.06479	1.2
147.08138	0.5
149.02361	3.6
149.05957	0.5
151.03903	14.7
153.01814	1.1
153.06995	0.3
157.06493	2.9
159.04568	0.3
159.08099	0.5
161.06013	1.8
163.03925	1.9
163.51967	0.3
165.01843	2.2
167.03412	0.8
169.06409	0.7
171.04346	1.7
171.05629	0.3
173.05962	0.9
175.03926	1.0
175.07494	0.3
177.01881	0.3
179.03407	1.3
181.04961	0.9
181.06519	0.7
183.02898	0.5
183.04463	0.3
183.08061	0.3
185.06000	2.8
187.03978	0.8
187.07574	0.9
189.02069	0.3
189.05444	1.2
191.03360	0.8
193.04959	0.7
195.02831	0.4
197.06021	1.2
199.03973	0.4
199.07553	1.1
201.05453	1.2
203.03342	1.2
203.07025	2.1
205.04939	0.8
209.06079	0.4
211.07597	0.5
213.05489	3.3
215.03436	3.2
215.06955	3.2
215.08507	0.3
217.01347	0.4
217.04999	0.4
223.02226	0.3
225.05548	0.7
227.03427	3.3
227.07039	1.1
229.01312	0.4
229.04994	3.3
231.06523	27.8
232.06831	0.7
237.05447	0.5
239.07010	0.4
241.04901	0.8
243.02835	0.5
243.06554	5.4
245.04492	2.1
245.08090	9.9
253.04819	0.4
255.02940	0.5
255.03415	0.5
255.06543	8.1
257.04504	6.3
257.08099	30.0
258.05243	0.4
258.08325	0.7
259.05984	0.4
267.06323	0.6
269.04449	0.8
269.08081	0.7
271.02383	17.6
271.05917	1.0
272.02582	0.5
273.07574	55.3
274.07919	1.2
275.09119	1.2
279.06451	0.8
281.04401	0.4
283.02383	2.2
283.06046	1.3
285.03952	30.2
286.04599	2.5
287.05502	30.3
288.06024	0.6
289.03439	17.1
293.08362	0.4
295.06049	0.3
297.03967	1.8
297.07584	3.1
299.05502	25.8
300.06195	2.0
301.03500	0.7
303.04984	4.1
309.03964	0.5
309.07422	0.5
311.05472	1.9
313.03412	0.9
313.07126	1.0
315.08585	2.3
317.07910	0.5
321.07617	0.7
323.05502	1.4
323.09036	0.6
325.06985	0.6
327.04987	1.9
327.08533	0.6
329.06567	13.0
330.06778	0.5
333.07687	0.4
335.09238	0.9
337.03433	0.5
337.07135	1.2
339.05530	1.4
339.08386	1.6
345.07599	0.6
349.07184	0.9
351.04861	0.4
353.06491	1.4
353.10477	0.5
359.10992	0.3
361.07047	0.4
363.08624	0.4
365.06638	0.4
373.06906	0.6
375.10773	1.0
377.06613	0.5
379.07950	1.4
381.06107	1.1
383.11261	0.5
387.08511	0.4
389.06503	0.6
391.08127	17.9
392.08453	0.8
395.07614	0.6
397.09335	0.6
399.10730	1.0
401.12424	0.7
403.08246	1.5
403.12949	0.3
405.05240	3.6
405.09924	2.3
407.07706	0.6
415.08292	2.0
417.06061	0.5
417.11612	1.2
419.07965	0.6
419.13196	0.5
423.07095	5.2
429.17960	0.3
431.09802	0.8
433.09177	2.2
435.07068	6.2
435.12875	10.2
436.07745	0.5
436.13123	0.4
447.07043	1.5
449.10709	0.3
465.07910	0.6
501.11856	0.4
515.09601	0.7
533.10944	0.5
535.11072	0.3
541.11292	3.3
549.10583	0.4
551.11487	1.4
559.12372	100.0
560.12598	4.8
567.11255	1.2
583.12091	0.6
601.13611	1.7
687.16974	0.6
703.16449	0.3
721.17700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50744	0.3
75.27921	0.3
77.03909	0.9
79.05492	2.3
81.03435	2.7
84.08138	0.5
85.02908	4.2
91.05496	0.4
95.04960	2.9
96.05297	0.3
97.02888	3.3
99.04445	1.2
102.41232	0.3
105.04542	1.4
107.04959	100.0
108.05286	6.5
109.02883	6.0
109.05563	1.0
110.03233	0.4
120.08086	0.4
127.03929	3.6
128.39610	0.3
129.03146	1.7
137.05942	0.6
145.04987	1.0
153.28246	0.3
157.06287	0.9
165.74132	0.3
167.06989	0.4
185.04248	3.0
185.05704	0.5
187.06039	0.8
191.96175	0.3
201.05222	5.1
201.06927	0.4
209.04256	4.3
213.08755	0.3
227.05255	1.5
229.04803	1.8
244.49060	0.3
247.05794	50.2
248.06207	0.7
248.08667	0.3
269.06375	4.7
287.07397	10.4
309.09351	0.5
363.10504	0.7
373.41223	0.3
407.04825	0.3
409.11243	1.0
425.15659	0.4
449.12717	0.3
453.14923	1.1
469.14767	2.8
493.13202	16.3
494.13275	0.5
497.14532	0.4
515.15295	17.8
516.15582	0.6
609.27405	0.3
651.40051	0.3
655.18677	3.2
677.20441	0.3
761.22632	43.6
762.23230	2.3
783.25330	0.5
787.79968	0.3
867.25952	0.3
923.27704	3.8
1029.32178	42.9
1030.32043	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	1029.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05507	1.0
81.03419	12.1
84.08150	2.8
85.02899	3.6
86.09691	1.9
90.82584	1.0
91.05483	61.9
95.04948	1.3
97.02903	5.8
99.04443	2.6
103.05464	1.2
105.03353	1.3
105.04561	1.1
105.07030	2.3
107.04961	65.1
108.05310	2.0
109.02887	24.5
115.05437	6.3
117.07000	3.6
119.04916	2.0
127.03925	32.3
131.04895	1.4
133.06488	9.9
137.05981	2.2
143.04939	2.0
145.04929	1.6
145.06485	2.1
147.04338	1.3
161.05989	100.0
162.06381	1.5
169.04974	9.9
171.04384	7.0
179.07033	17.6
189.05453	4.3
207.06691	1.8
229.07138	5.2
249.07591	10.2
287.09177	6.7
289.09045	1.7
315.08615	14.2
322.67105	1.2
333.09647	2.0
345.08160	1.0
375.10583	3.3
435.12485	1.4
465.82245	1.0
495.15335	5.4
528.27405	1.0
592.92120	1.0
597.72028	1.1
701.20575	1.6
926.81616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	3.0
53.03952	22.5
55.01880	1.3
56.96579	0.8
57.05364	2.2
63.53372	0.6
68.14943	0.7
69.75381	3.2
74.02428	1.8
74.06091	0.7
75.02785	1.8
75.06417	1.5
77.03928	6.8
81.03412	2.0
85.02890	2.0
88.40898	0.7
95.04977	20.8
97.18695	0.8
99.02695	0.7
102.04686	5.1
103.04008	2.1
103.05471	100.0
104.05805	0.8
104.10764	2.6
105.04533	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	4.0
53.03950	32.3
55.01868	2.0
56.96554	1.3
60.08168	1.1
60.95847	1.6
69.92427	3.6
77.03935	9.6
81.03430	4.0
85.02916	1.0
92.87430	0.6
95.04974	26.0
102.04709	4.7
102.96920	1.1
103.04012	1.9
103.05473	100.0
104.05803	1.1
104.10759	2.5
105.04521	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.1
51.02378	3.1
53.03948	20.9
55.01859	1.9
56.05021	0.9
57.05360	3.0
69.67023	4.1
74.02449	1.6
75.02781	1.2
75.06407	0.9
77.03928	6.6
79.64592	0.8
81.03423	1.9
93.05419	0.9
95.04968	19.6
102.04679	4.3
103.05469	100.0
105.04518	11.3
122.56608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	3.6
53.03721	1.5
53.03953	26.2
55.01883	1.0
56.05026	0.8
56.64997	0.9
56.96554	1.1
57.05369	1.8
61.55755	0.8
68.88370	0.9
69.60892	4.6
74.94333	0.8
75.06377	0.8
77.03938	5.7
81.03420	1.6
83.71062	0.8
85.04860	0.9
92.52832	0.8
95.04971	21.3
98.20674	0.9
102.04693	4.5
103.05473	100.0
105.04518	12.1
119.94026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.8
51.02371	3.1
53.03949	31.3
55.01863	1.5
56.05024	2.6
56.25253	0.7
56.96559	2.0
57.04725	1.1
57.05374	8.8
62.92970	0.7
69.29498	1.9
69.29902	5.0
74.02430	3.3
75.02129	0.8
75.02763	3.9
75.06401	2.3
77.03931	7.8
79.80376	0.7
80.68635	0.7
81.03401	2.6
85.02894	0.9
85.04829	2.3
87.04474	1.6
95.04973	28.9
102.04700	5.6
103.05463	100.0
104.05751	1.0
105.04517	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	1.0
51.02389	4.2
52.08891	0.6
53.03952	32.2
53.04207	1.5
55.01868	1.5
56.05039	1.5
56.85464	0.5
56.96569	3.4
57.03441	0.6
57.05378	5.0
60.08180	1.5
67.51067	1.0
69.03432	0.9
71.07760	0.6
74.02451	3.0
75.02796	3.3
75.06400	1.2
77.03941	5.5
81.03442	3.6
85.02891	1.5
85.04861	1.9
87.04464	1.1
95.04979	29.6
102.04700	4.8
103.05473	100.0
104.05794	1.1
104.10753	2.2
105.04520	15.8
118.06509	1.0
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
50.01593	0.8
51.02375	2.3
53.03949	20.4
55.01876	0.9
56.05029	1.4
56.96570	1.4
57.03441	3.1
57.05375	3.1
60.08164	3.2
61.01160	0.7
69.41730	4.3
74.02451	2.9
74.06089	0.8
75.02135	0.8
75.02802	3.2
75.06413	2.7
77.03923	4.2
81.03419	2.6
85.02914	7.1
85.04824	1.7
86.03233	1.0
86.67654	0.6
89.66098	0.6
95.04974	20.2
98.96082	0.6
101.55630	0.6
102.04693	4.8
103.04030	6.1
103.05470	100.0
104.10757	6.6
105.04524	11.9
108.47240	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.8
53.03951	22.5
53.04204	1.2
56.96550	1.0
57.03436	0.8
57.05360	0.8
68.89946	0.7
69.20670	4.9
69.21082	1.2
71.65561	0.6
74.02425	1.2
77.03934	4.8
81.03416	2.9
85.02898	1.5
95.04971	19.2
102.04681	4.0
103.04012	2.0
103.05473	100.0
104.10740	3.3
105.04514	10.5
118.09719	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67393	0.2
58.06603	6.7
59.07389	1.4
60.08168	52.9
70.03691	0.5
70.04084	0.5
87.04469	0.4
92.59582	0.2
104.10751	100.0
105.11103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1046.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
73.56874	0.2
74.51610	0.2
77.03922	0.8
77.75558	0.2
79.05500	2.3
81.03418	8.1
84.08148	0.3
85.02905	1.7
91.05481	33.8
92.05829	0.4
95.04958	2.2
97.02888	4.9
98.21195	0.3
99.04450	1.3
105.03415	0.9
105.04500	1.0
105.07032	1.2
107.04956	100.0
108.05264	1.1
109.02879	15.6
110.07140	0.2
115.05457	3.3
117.07020	2.0
119.04971	1.0
126.75967	0.2
127.03918	19.4
129.07024	0.2
131.04924	0.2
131.10280	0.2
133.06497	6.5
135.04465	0.2
139.03897	0.4
143.04927	1.5
145.04991	1.1
145.06468	1.0
147.04419	0.3
153.07011	0.2
161.05980	57.8
162.06311	1.2
169.04979	5.5
169.06401	0.3
171.04398	3.8
175.07709	0.2
179.07043	9.6
180.07326	0.2
183.27374	0.2
185.06032	0.2
187.06007	1.3
189.05446	2.0
197.06001	0.3
199.07478	0.3
205.07042	1.5
207.06570	0.6
211.06050	0.5
215.07051	0.5
221.08084	0.2
223.07530	0.2
229.07051	2.5
231.06560	0.2
233.08078	0.3
249.07588	8.5
269.08023	1.0
287.09106	4.9
289.09198	1.1
297.07739	0.2
305.10159	0.5
315.08633	10.9
316.09067	0.3
330.29834	0.2
333.09695	0.7
347.11292	0.7
357.09235	0.2
375.06293	0.2
375.10770	2.8
407.13239	0.4
435.12811	0.8
474.51407	0.2
495.14957	4.5
496.14929	0.3
649.08374	0.2
701.20642	1.3
1034.71387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02374	2.2
53.03954	17.3
55.01865	1.1
65.03934	1.9
67.74364	1.0
69.55997	6.9
76.75529	1.0
77.03934	4.4
79.05500	54.2
81.03432	1.8
95.04969	13.7
98.20797	2.0
103.05473	31.8
105.04550	8.7
105.07040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90067	0.6
51.02378	2.5
53.03709	1.1
53.03952	15.8
54.53113	0.6
55.01859	0.5
57.13086	0.5
58.18405	0.6
65.03943	2.6
70.62933	0.7
71.50964	1.1
77.03931	4.3
79.05499	51.9
81.03419	0.9
95.04982	15.3
103.05479	36.0
103.12848	0.6
103.81213	0.6
105.04543	7.4
105.07040	100.0
105.11113	1.2
106.06564	1.0
106.07370	1.1
116.12934	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.32064	0.6
51.02370	1.5
53.03715	1.0
53.03949	14.9
65.03930	1.7
69.73807	1.2
69.74223	2.6
77.03939	4.8
79.05499	53.2
81.03429	2.3
95.04974	13.9
103.05476	35.7
105.04536	9.9
105.07039	100.0
106.06582	0.8
106.07374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02938	0.6
77.88140	0.4
79.05484	1.3
81.03422	35.6
82.03769	0.6
83.01347	1.1
85.02908	14.2
91.05485	100.0
92.05827	3.0
95.04971	1.6
97.02901	11.9
99.04464	9.4
101.02419	0.6
105.03407	1.2
105.07036	2.3
107.04959	33.2
109.02885	36.0
110.03212	0.5
111.04451	1.2
115.03931	1.6
115.05453	6.8
116.05795	0.5
117.07028	6.9
118.07419	0.6
119.04985	1.3
121.02865	0.6
121.06566	0.4
122.56821	0.4
123.04432	0.7
125.02335	1.0
127.03923	84.2
128.04292	2.0
129.07045	0.7
133.05611	0.6
133.06503	6.6
135.75119	0.4
137.06090	0.4
139.03897	1.1
141.05429	0.4
141.07069	0.4
143.04926	6.4
145.04959	13.3
145.06474	3.0
146.05327	0.4
147.04416	0.8
147.08133	0.4
149.06009	0.4
151.03900	0.8
155.06078	0.6
157.06503	0.6
161.05988	57.5
162.06306	3.9
167.08536	0.5
169.04970	13.7
170.05244	0.4
171.04413	27.1
172.04750	0.8
175.03922	0.7
177.05476	0.4
179.07042	16.3
180.07343	0.6
187.06023	8.5
189.05511	3.4
193.04982	0.4
199.07555	1.6
203.07002	0.6
205.04919	1.1
205.06985	0.8
207.06508	1.1
213.09096	1.3
215.07185	0.7
217.04959	1.2
221.08093	4.4
223.07579	0.6
229.07085	7.2
231.06564	1.4
233.08076	2.0
235.06047	2.0
247.08141	4.8
249.07558	6.0
253.06984	1.8
267.08597	1.6
269.08081	2.2
271.08069	1.5
273.86481	0.4
287.09085	4.6
289.09155	1.1
295.08066	0.6
305.10211	9.5
313.09094	0.8
315.08679	3.9
316.08942	0.4
323.11316	2.7
331.10260	0.7
333.09656	4.5
334.09915	0.4
345.83765	0.4
347.11273	4.8
348.11734	0.5
351.10617	0.7
357.09610	1.1
365.12338	5.3
375.10760	7.6
393.07010	0.7
393.11838	11.9
394.12170	0.6
407.13263	3.8
411.12766	2.7
413.12164	0.9
431.13538	1.9
435.12894	9.4
441.11633	1.6
449.14340	0.4
453.13992	12.2
459.12955	2.6
473.14093	0.4
477.14056	3.9
491.15094	0.4
495.14761	1.2
501.13809	4.0
502.64313	0.4
519.07397	0.5
519.14972	6.9
537.16089	22.4
538.16687	0.6
561.16150	3.7
579.08643	0.7
579.17163	10.1
580.17078	0.4
597.18195	12.0
598.18542	0.7
643.19818	0.7
932.96222	0.5
945.88318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.6192
Annotation	Unknow
Peak:m/z	Relative Intensity
73.87260	0.2
76.16425	0.2
86.09705	0.3
95.08618	0.3
104.10758	0.5
109.10191	0.3
184.07368	0.3
185.04286	0.5
200.98254	0.4
229.17451	0.3
301.20175	2.0
319.21118	0.3
333.15182	0.3
375.24414	0.3
389.78717	0.3
535.79938	0.6
536.29535	0.6
536.79987	1.0
537.30408	100.0
538.30597	2.5
574.18719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03931	0.2
77.68416	0.1
78.04704	0.6
79.05479	0.2
81.02988	0.2
81.03423	2.5
84.04501	0.2
85.02901	1.3
89.03921	11.5
91.05494	0.7
95.04981	0.3
97.02884	0.4
99.04458	0.3
103.05499	0.3
105.03418	0.2
106.04156	0.6
107.04961	4.8
109.02875	1.0
111.00793	0.3
111.04438	0.2
115.36788	0.2
117.03385	21.2
118.03644	0.1
119.04948	1.6
121.02873	3.5
121.06536	0.3
123.04421	0.7
127.03934	0.3
129.07007	0.2
131.04929	0.2
133.06512	0.2
134.03632	1.7
135.04433	1.0
137.02390	0.2
139.03877	0.7
145.02853	44.8
146.03181	0.4
147.04420	2.2
149.02299	0.3
149.05989	6.7
151.03889	0.5
152.20976	0.1
153.01820	0.2
157.06458	0.5
158.05986	0.2
163.03925	0.6
165.01846	0.5
171.04430	0.3
173.05998	0.3
175.01865	0.1
175.03807	0.2
177.05476	100.0
178.05850	1.4
185.05974	0.6
186.05457	0.6
187.03897	0.3
195.06534	1.0
197.05989	0.2
201.05515	0.2
203.03391	0.3
203.07059	0.3
207.06500	0.2
213.05550	0.8
215.03421	0.8
215.07024	0.2
227.03485	0.7
229.01265	0.2
229.04935	0.9
231.06529	6.2
241.04976	0.2
243.02921	0.2
243.06502	0.7
245.04543	0.5
255.06570	0.9
257.04480	1.3
257.08087	2.1
258.05206	0.2
267.06293	0.2
269.04468	0.2
271.02386	3.8
271.92020	0.1
273.07590	1.8
283.02243	0.4
283.05893	0.3
285.03961	7.0
286.04602	0.4
287.05493	5.5
289.03445	3.4
297.03946	0.5
297.07474	0.3
299.05515	5.1
299.08960	0.2
300.06183	0.3
303.04926	0.9
311.05609	0.3
313.03403	0.2
313.07104	0.4
315.08548	0.3
321.09756	4.6
322.09909	0.2
323.05630	0.3
327.05096	0.4
329.06497	2.1
337.06924	0.2
339.04825	0.3
339.10797	6.0
345.07318	0.2
361.06961	0.2
363.08698	0.2
389.06345	0.2
391.08127	3.3
403.07959	0.3
405.05835	0.6
405.09897	0.5
415.08096	0.4
423.02835	0.1
423.07291	1.2
433.09140	0.3
435.07233	1.2
435.12616	0.2
447.06979	0.4
458.05557	0.2
541.11090	0.5
547.03461	0.1
559.12384	19.4
560.12872	0.9
601.13184	0.6
611.16992	0.2
656.82343	0.2
761.53143	0.2
857.38080	0.2
973.56641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01565	0.3
51.02374	0.7
53.03715	0.4
53.03948	5.1
55.01863	0.5
55.54986	0.3
57.60847	0.2
60.04527	1.7
62.26600	0.2
65.03934	0.4
67.04240	0.3
70.06602	0.3
72.76578	0.3
73.36633	0.3
77.03918	1.1
78.03461	0.8
79.05495	19.4
80.05033	0.4
80.05867	0.3
81.03410	0.4
89.03904	0.4
91.05468	1.0
95.04975	4.3
96.04495	3.5
97.91440	0.3
105.04513	1.9
106.06556	100.0
107.04956	17.9
107.06878	0.5
113.16164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	106.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
52.06190	0.3
53.03719	0.3
53.03951	4.7
55.01870	0.6
58.46830	0.2
60.04535	1.2
65.03962	0.3
67.04259	0.5
70.79011	0.7
76.61680	0.3
77.03938	1.7
78.03463	0.9
79.05495	22.2
80.05025	0.6
80.05840	0.3
81.03419	0.6
88.04037	0.3
91.05476	1.0
95.04977	4.4
95.72911	0.2
96.04499	3.2
105.04506	2.9
105.07030	0.6
106.06556	100.0
107.04958	15.7
107.06892	1.0
107.08627	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1061.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03956	2.4
79.05477	7.3
80.05008	5.0
81.03422	12.3
83.37603	2.2
84.08183	2.3
85.02904	13.6
89.03934	3.7
91.05500	10.6
91.05956	2.1
93.05814	4.5
93.07035	9.4
94.04199	2.2
94.06567	22.2
95.04964	7.5
95.07351	10.6
96.08130	26.5
97.02905	10.8
99.04460	4.1
103.05451	4.7
105.07028	5.9
106.06551	11.2
107.04939	9.3
107.07315	5.5
108.04462	9.9
108.07435	3.7
108.08124	52.7
109.02894	13.2
110.09678	35.7
116.04952	4.2
118.06537	2.3
120.04456	4.5
120.08106	33.8
122.03667	3.3
122.06050	21.8
122.09671	9.6
123.04460	2.7
124.07581	8.8
127.03927	11.0
131.04953	6.9
132.04416	3.8
132.08107	4.1
133.06500	2.3
134.06007	8.9
134.09630	4.4
135.04413	2.8
136.07578	40.9
137.05972	38.5
137.08360	2.4
138.09142	54.5
141.07034	2.6
144.04434	5.0
144.08083	2.6
146.06020	13.5
147.04439	4.1
148.07559	29.1
150.09171	18.1
151.07510	4.8
152.07054	18.3
152.32903	2.0
153.33084	2.2
158.06026	2.6
160.03957	16.6
160.07584	7.6
161.05962	7.1
161.08348	2.9
162.05400	3.2
162.09137	2.4
163.07539	5.0
164.07059	7.3
165.06981	3.1
166.08653	72.1
172.03955	28.1
174.05501	6.6
174.09128	5.2
175.07545	4.0
176.07129	4.0
177.05417	3.3
180.10226	2.4
186.09096	2.8
188.07175	2.2
189.09099	2.5
190.05005	23.1
190.08673	2.7
192.06657	3.6
194.08200	4.1
197.10704	4.3
198.09070	2.7
198.11607	3.5
199.08722	3.4
199.12306	6.1
200.07080	4.6
200.10664	2.9
202.08708	3.7
204.06558	35.9
208.09789	5.9
209.10683	5.5
210.11490	6.7
211.08606	8.0
211.12317	17.9
212.09393	3.3
212.13000	2.4
213.10274	11.5
214.08698	2.3
216.10185	3.5
218.11742	2.9
221.05956	3.1
221.10696	4.0
221.90623	2.2
222.11449	3.1
223.08630	9.1
223.12363	12.1
224.09488	3.4
224.13057	5.2
225.10300	41.8
225.13684	10.9
226.10945	24.3
227.11748	18.9
228.10271	4.1
230.07991	2.6
231.08078	3.3
231.97913	2.1
232.09740	3.7
233.10831	2.8
235.08595	7.1
235.12346	6.7
236.09425	7.6
236.13057	3.9
237.10269	32.6
237.13797	12.3
238.11008	23.1
239.08322	16.0
239.11797	85.6
240.12502	22.2
241.09779	2.7
241.13332	9.1
242.08084	2.3
244.09726	5.4
246.11313	5.7
247.08658	2.4
248.09395	5.4
249.10295	20.9
249.13843	3.7
250.10983	26.4
251.07973	8.1
251.11812	90.1
252.09004	5.1
252.12552	16.2
253.09805	19.7
253.13365	47.1
254.10501	19.5
254.13965	7.1
255.11256	9.4
259.14539	3.1
260.09000	2.7
261.10178	4.2
262.10916	5.0
263.08255	2.6
263.08789	3.8
263.11829	49.8
264.09027	7.5
264.12552	12.5
265.09711	28.6
265.13354	58.8
266.10483	18.3
266.14020	10.3
267.11331	61.1
267.14786	6.4
268.11966	9.5
269.12814	8.8
270.09344	2.3
271.10788	9.5
273.12161	2.6
274.10873	3.9
275.11707	7.1
276.12479	5.1
277.09637	16.5
277.13263	8.9
278.10498	13.0
279.08414	4.4
279.11295	75.2
280.12082	14.8
281.09714	4.4
281.12872	62.0
283.10770	14.7
283.14279	3.7
284.11505	6.6
285.12372	34.5
286.13000	6.6
287.05490	9.9
289.13223	3.7
290.10532	3.6
291.11316	28.5
292.11874	12.7
293.09555	3.6
293.12811	38.2
294.13553	4.0
295.10687	13.6
295.14462	10.1
296.11465	4.1
297.12375	39.6
298.13016	7.7
299.13879	31.0
303.11020	3.2
305.09293	3.5
305.12915	5.9
307.10730	12.3
309.12357	51.1
310.13058	15.0
310.15967	2.6
311.10226	4.4
311.13885	45.5
312.14438	5.4
313.11966	2.9
313.15457	7.1
319.10880	17.0
319.14200	3.8
321.12311	18.7
322.13022	3.0
323.13269	11.0
324.14923	3.4
325.11801	18.7
325.15134	4.3
327.13382	44.7
328.14078	2.9
329.15509	3.7
330.16080	5.1
331.10312	2.8
333.11960	2.7
335.13364	3.9
337.11694	13.2
338.12738	3.4
339.13467	14.5
340.14438	3.7
341.15051	46.6
342.15686	5.0
344.14053	3.8
351.13416	12.5
353.15048	16.6
357.14722	16.5
358.15384	5.5
359.16251	5.0
361.15009	3.6
365.14886	3.1
368.13684	3.7
369.14542	35.3
370.15222	6.1
371.16229	16.6
372.16818	7.9
374.18665	3.6
377.14560	3.1
379.12454	4.6
379.16669	4.1
381.14404	7.4
383.16055	6.7
384.17334	4.0
386.14542	3.3
386.18881	5.5
387.15674	3.2
388.16269	2.5
390.18524	2.5
393.14429	9.3
395.16129	3.7
397.17719	4.6
398.14636	3.4
399.15747	3.2
400.16425	7.5
401.17126	4.4
402.18002	4.4
403.18768	2.8
404.19699	6.1
405.14517	4.8
407.15994	9.6
411.15604	22.4
412.16373	7.0
413.17102	11.5
414.18057	9.5
415.19040	2.8
417.14328	4.9
418.17422	3.8
419.16296	4.4
420.19006	3.2
423.15372	7.7
425.17487	12.7
425.21887	2.7
429.16650	23.2
430.17648	11.8
432.18924	7.7
435.15509	17.1
437.17062	8.3
439.14655	4.1
441.16501	15.3
442.17374	8.6
443.18167	20.3
444.19131	2.7
446.21301	2.6
447.15414	4.1
448.18536	3.8
451.15131	4.9
453.16556	38.3
454.17166	4.4
455.18472	13.2
460.18594	8.0
462.20364	4.1
463.14911	7.3
464.15833	2.5
464.22095	3.0
465.16293	8.8
467.18063	7.3
469.15768	11.6
471.17722	37.0
472.18170	4.0
473.19113	6.1
474.20053	20.1
481.16006	23.0
482.16681	5.4
483.17618	12.9
485.18805	6.2
487.17087	3.5
490.19577	4.8
492.21329	10.5
497.18954	10.6
501.18311	3.3
502.18970	4.2
503.20154	6.7
506.23013	3.5
513.18787	15.7
514.19537	5.0
515.20319	22.4
522.22253	9.0
528.21503	3.9
534.22437	12.6
540.20898	4.0
556.20599	9.6
558.22430	7.0
560.23877	3.1
562.22174	4.9
564.22986	3.7
568.20538	9.6
570.22034	4.6
572.23676	6.7
574.21820	12.6
576.23413	3.2
579.19238	4.0
582.23090	2.8
586.21716	16.9
588.23431	63.4
589.23749	3.4
590.24591	3.0
591.19678	5.2
592.22968	19.3
593.21826	4.1
594.24426	48.5
600.23462	70.6
603.25378	4.4
604.22839	25.4
606.24487	45.6
607.24664	3.8
613.26025	3.1
616.22772	7.6
618.24457	49.7
623.22052	7.5
624.25519	74.9
625.24432	16.4
631.24652	6.5
632.25659	9.7
634.24078	43.7
635.24866	8.5
636.25500	100.0
637.26306	4.8
664.24652	6.7
666.26227	6.3
667.27271	2.5
675.27222	8.5
687.30237	3.0
693.29077	7.8
695.30408	4.0
702.26111	8.0
703.27216	6.1
707.30585	16.5
711.29626	7.1
714.26086	9.3
721.28931	35.6
725.31860	67.2
726.31610	5.0
729.30542	4.5
732.27954	2.8
734.28619	7.2
735.30182	6.5
739.29657	24.9
743.20288	3.7
743.32715	41.5
744.27356	37.6
745.27460	6.1
746.29089	31.6
750.28955	3.2
753.20123	3.0
753.31470	45.9
757.17297	3.6
757.30768	57.8
761.34064	29.2
762.28369	3.4
771.32947	18.0
776.29797	8.3
778.27863	6.6
780.29858	3.1
789.33392	35.2
796.29358	25.7
797.29718	5.1
828.31879	3.4
829.32764	2.9
865.32709	2.7
866.31372	2.6
867.34674	29.2
883.33350	9.5
899.36188	2.9
906.32733	28.1
907.33978	11.2
919.36078	12.9
938.35907	4.4
939.34668	4.1
1029.39111	12.9
1061.38379	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	1064.564
Annotation	Unknow
Peak:m/z	Relative Intensity
78.33916	1.6
79.05495	46.7
81.03428	25.3
81.06590	2.7
81.07062	51.1
83.04973	4.3
83.08614	7.1
85.02899	4.5
85.06526	3.5
86.09708	1.8
86.71584	1.5
88.85740	1.6
91.03951	1.8
91.05488	37.5
93.07050	47.0
95.01366	7.6
95.04968	13.2
95.08612	40.8
97.02880	6.1
97.06522	7.3
97.10149	3.2
98.06774	1.7
103.05450	3.5
104.10740	2.2
105.07035	35.5
106.87669	1.7
107.04942	8.4
107.08612	26.4
109.06523	5.3
109.10177	15.3
109.15089	1.4
109.30651	1.4
111.00833	1.7
111.08070	1.7
113.02386	1.5
115.05444	1.7
117.07014	19.0
119.04897	2.9
119.08585	28.1
121.02840	1.7
121.06505	12.9
121.10149	21.5
123.04420	4.0
123.08067	4.8
123.11723	6.0
124.15605	1.5
125.02309	2.4
127.03848	2.3
128.06268	3.0
129.06995	11.3
131.04941	2.4
131.07623	1.9
131.08565	28.7
133.06473	5.5
133.10123	21.3
135.04443	4.2
135.08037	4.9
135.11707	11.1
137.06021	2.3
137.09613	3.3
139.03880	2.3
141.01843	4.0
141.07007	2.7
142.07809	2.2
143.08588	12.9
145.06471	3.8
145.10130	26.9
147.04414	6.2
147.08034	5.3
147.11670	10.8
149.09636	2.2
149.13272	7.0
155.08542	5.6
156.09328	2.2
157.10161	10.6
159.08064	3.6
159.11711	17.4
161.09618	2.6
161.13272	10.8
163.03923	3.5
163.14825	1.6
165.06975	1.5
167.08569	1.9
169.10091	7.6
171.11745	13.6
173.05904	1.8
173.09544	1.6
173.13254	10.9
175.07564	1.8
175.11147	2.9
177.12723	6.4
179.07088	1.9
179.14223	1.9
181.10109	2.7
183.08101	1.9
183.11703	6.4
185.09572	2.6
185.13261	6.5
187.11183	2.9
187.14835	5.7
189.12776	4.5
191.14423	1.5
195.11765	2.3
197.13219	5.5
199.11165	1.8
199.14824	3.0
201.12654	2.6
207.13821	18.3
209.09651	1.6
211.14807	1.7
213.16475	2.4
217.12183	1.9
219.13768	2.7
223.11035	1.7
243.13684	4.1
259.20618	4.8
261.14908	10.6
261.22073	3.3
283.20676	1.9
285.22165	2.9
289.14340	13.9
291.15918	3.4
301.21484	2.1
303.23083	2.8
307.15405	7.1
325.16397	6.2
333.24234	3.5
335.14911	7.2
335.25812	27.7
338.15591	1.8
353.15952	4.8
385.18347	1.9
419.33090	2.8
424.32755	1.6
427.19669	91.2
428.20099	2.4
429.21033	4.5
437.34109	8.2
445.20682	1.9
455.34949	2.3
481.72705	1.7
495.25494	2.3
511.37698	7.0
520.21765	1.6
529.38934	99.9
530.39136	6.1
549.35870	3.3
559.34033	2.4
567.36469	2.6
577.34442	2.5
581.37317	1.9
583.31049	2.8
595.36859	8.2
609.32477	2.4
613.37402	14.5
623.39093	4.7
631.38019	3.1
633.37628	3.3
641.39868	6.1
651.39069	8.7
659.41608	2.5
669.39465	8.2
687.41010	61.2
688.40710	4.0
705.42133	100.0
706.41913	6.3
890.50610	1.7
969.76239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1064.564
Annotation	Unknow
Peak:m/z	Relative Intensity
78.33916	1.6
79.05495	46.7
81.03428	25.3
81.06590	2.7
81.07062	51.1
83.04973	4.3
83.08614	7.1
85.02899	4.5
85.06526	3.5
86.09708	1.8
86.71584	1.5
88.85740	1.6
91.03951	1.8
91.05488	37.5
93.07050	47.0
95.01366	7.6
95.04968	13.2
95.08612	40.8
97.02880	6.1
97.06522	7.3
97.10149	3.2
98.06774	1.7
103.05450	3.5
104.10740	2.2
105.07035	35.5
106.87669	1.7
107.04942	8.4
107.08612	26.4
109.06523	5.3
109.10177	15.3
109.15089	1.4
109.30651	1.4
111.00833	1.7
111.08070	1.7
113.02386	1.5
115.05444	1.7
117.07014	19.0
119.04897	2.9
119.08585	28.1
121.02840	1.7
121.06505	12.9
121.10149	21.5
123.04420	4.0
123.08067	4.8
123.11723	6.0
124.15605	1.5
125.02309	2.4
127.03848	2.3
128.06268	3.0
129.06995	11.3
131.04941	2.4
131.07623	1.9
131.08565	28.7
133.06473	5.5
133.10123	21.3
135.04443	4.2
135.08037	4.9
135.11707	11.1
137.06021	2.3
137.09613	3.3
139.03880	2.3
141.01843	4.0
141.07007	2.7
142.07809	2.2
143.08588	12.9
145.06471	3.8
145.10130	26.9
147.04414	6.2
147.08034	5.3
147.11670	10.8
149.09636	2.2
149.13272	7.0
155.08542	5.6
156.09328	2.2
157.10161	10.6
159.08064	3.6
159.11711	17.4
161.09618	2.6
161.13272	10.8
163.03923	3.5
163.14825	1.6
165.06975	1.5
167.08569	1.9
169.10091	7.6
171.11745	13.6
173.05904	1.8
173.09544	1.6
173.13254	10.9
175.07564	1.8
175.11147	2.9
177.12723	6.4
179.07088	1.9
179.14223	1.9
181.10109	2.7
183.08101	1.9
183.11703	6.4
185.09572	2.6
185.13261	6.5
187.11183	2.9
187.14835	5.7
189.12776	4.5
191.14423	1.5
195.11765	2.3
197.13219	5.5
199.11165	1.8
199.14824	3.0
201.12654	2.6
207.13821	18.3
209.09651	1.6
211.14807	1.7
213.16475	2.4
217.12183	1.9
219.13768	2.7
223.11035	1.7
243.13684	4.1
259.20618	4.8
261.14908	10.6
261.22073	3.3
283.20676	1.9
285.22165	2.9
289.14340	13.9
291.15918	3.4
301.21484	2.1
303.23083	2.8
307.15405	7.1
325.16397	6.2
333.24234	3.5
335.14911	7.2
335.25812	27.7
338.15591	1.8
353.15952	4.8
385.18347	1.9
419.33090	2.8
424.32755	1.6
427.19669	91.2
428.20099	2.4
429.21033	4.5
437.34109	8.2
445.20682	1.9
455.34949	2.3
481.72705	1.7
495.25494	2.3
511.37698	7.0
520.21765	1.6
529.38934	99.9
530.39136	6.1
549.35870	3.3
559.34033	2.4
567.36469	2.6
577.34442	2.5
581.37317	1.9
583.31049	2.8
595.36859	8.2
609.32477	2.4
613.37402	14.5
623.39093	4.7
631.38019	3.1
633.37628	3.3
641.39868	6.1
651.39069	8.7
659.41608	2.5
669.39465	8.2
687.41010	61.2
688.40710	4.0
705.42133	100.0
706.41913	6.3
890.50610	1.7
969.76239	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03931	0.8
79.05488	1.8
81.03421	5.9
83.01350	0.3
85.02901	1.1
91.05460	0.1
95.04966	2.3
97.02882	1.5
99.04460	5.3
102.03967	0.1
103.03944	3.7
105.04511	1.2
107.04961	100.0
108.05299	1.3
109.02883	13.0
114.23885	0.1
127.03924	40.4
128.04262	0.5
139.03920	0.3
145.04111	0.1
145.04965	3.6
169.04976	7.4
179.66689	0.1
187.06027	10.5
188.06451	0.2
192.40044	0.1
211.05972	1.0
213.09076	0.7
229.07082	31.8
230.07431	0.5
289.09189	28.1
290.09595	0.4
349.90237	0.1
463.31412	0.1
495.14926	0.2
770.38519	0.1
975.55646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1066.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
75.40045	0.1
75.81560	0.1
77.03927	0.8
79.05059	0.2
79.05494	2.2
81.03416	15.8
82.03766	0.2
83.01332	0.2
83.39449	0.1
85.02902	3.4
91.05477	0.3
95.04971	2.5
97.02891	8.2
99.04455	3.3
103.03960	0.3
105.04514	1.4
107.04956	100.0
108.05292	1.6
109.02877	74.5
110.03218	0.9
115.03941	0.2
117.07025	0.2
119.04923	0.2
123.04465	0.1
127.03915	39.1
128.04257	0.4
139.03902	4.0
141.05399	0.1
145.04939	0.5
145.06496	0.2
161.05997	0.3
169.04962	25.4
170.05275	0.3
187.05978	1.2
189.05534	0.1
211.06006	2.7
213.09128	0.5
229.07066	13.6
230.07420	0.2
247.08168	0.4
269.08096	0.3
271.08124	6.1
272.08429	0.2
289.09174	30.5
290.09561	0.6
315.08545	0.1
395.13232	0.5
435.12991	0.3
444.98080	0.1
495.14969	1.1
1022.88422	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	1068.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
76.24311	0.2
76.99997	0.2
77.03924	0.9
79.05488	2.5
80.67479	0.2
81.03420	14.2
83.01336	0.8
83.91292	0.2
85.02909	5.0
91.05482	60.5
92.05804	0.8
92.93625	0.2
95.04970	2.7
97.02895	9.1
99.04456	6.2
105.03416	0.4
105.04505	1.4
105.07028	0.6
107.04955	100.0
108.04665	0.2
108.05261	1.3
109.02879	22.0
115.03923	0.7
115.05472	2.6
117.07015	3.8
119.04899	1.3
127.03919	40.9
128.04317	0.3
133.06516	2.2
139.03900	0.7
143.04930	4.0
145.04965	18.6
145.06433	1.7
146.05344	0.3
155.06108	0.4
161.05980	28.7
162.06306	0.5
169.04973	7.8
171.04408	18.5
172.04707	0.3
179.07031	13.2
180.07347	0.3
187.06021	4.8
189.05458	1.3
199.07481	0.4
203.06990	0.3
207.06438	0.3
213.09097	0.3
221.08076	2.1
224.87492	0.2
229.07051	1.8
229.14343	0.2
231.06508	1.6
247.08154	2.2
249.07605	5.8
267.08630	1.3
269.08002	0.7
287.09122	3.3
297.07611	0.3
305.10162	5.1
306.82343	0.2
315.08591	2.0
333.09644	5.3
334.22794	0.2
347.11218	4.0
351.10620	1.5
357.09882	0.5
365.12305	0.5
369.89957	0.2
375.10757	20.3
376.10898	0.6
393.11792	15.6
394.12201	0.4
404.00729	0.2
407.13208	0.4
435.13074	1.5
445.15790	0.2
453.13934	20.6
454.14014	0.6
608.03784	0.2
634.84906	0.2
659.19141	0.6
680.52673	0.2
727.06879	0.2
928.25726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02383	1.2
53.03952	10.2
55.01871	2.0
55.68476	0.2
56.96566	1.6
59.92947	0.2
59.97208	0.2
60.95611	0.2
60.95859	3.0
62.24605	0.2
69.03441	1.3
69.48257	1.6
75.86316	0.3
77.03934	3.2
79.05496	11.9
80.04997	0.3
81.03409	1.6
84.08119	0.3
85.08459	0.3
86.32593	0.3
91.05488	1.4
95.04420	0.3
95.04973	8.4
95.52271	0.3
98.20632	0.2
99.60823	0.3
104.52772	0.8
105.04512	4.6
107.04959	100.0
108.05283	1.0
112.07616	2.1
113.53290	0.5
124.05259	0.2
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
50.01585	0.3
51.02391	1.4
53.03951	9.7
55.01876	2.0
59.02690	0.2
69.25215	0.2
71.17619	0.6
77.03933	4.3
79.05498	11.1
81.03413	1.4
84.19622	0.3
91.05480	0.5
95.04974	9.0
97.90875	0.2
105.04529	5.5
107.04961	100.0
108.05302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.3
51.02382	1.1
53.03952	10.7
55.01879	1.8
70.85740	0.4
70.86069	0.3
72.96227	0.2
75.92934	0.2
77.03934	4.0
79.05498	11.6
81.03415	1.4
91.05472	0.7
95.04977	9.1
105.04527	5.2
106.14740	0.2
107.04963	100.0
108.05286	1.0
118.06599	0.2
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
50.01586	0.6
51.02374	1.2
53.03949	10.9
55.01679	0.2
55.01876	2.3
57.91307	0.2
66.52992	0.2
71.47102	0.3
71.47438	0.2
76.06301	0.2
77.03932	4.4
78.54118	0.2
79.05495	10.9
81.03418	1.6
91.05486	0.3
95.04971	10.4
95.36197	0.3
105.04522	4.9
107.04958	100.0
108.05302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.3
51.02383	1.2
53.03952	9.6
54.23032	0.1
54.38374	0.2
55.01876	1.9
55.28149	0.1
58.52351	0.1
62.64320	0.1
66.25665	0.2
70.44932	0.5
77.03934	3.9
78.04717	0.1
79.01825	0.2
79.05499	12.0
81.03423	1.2
83.34280	0.2
84.45541	0.1
89.03951	0.1
91.05502	0.2
95.04977	9.4
97.96152	0.2
101.52805	0.2
105.04521	5.5
107.04964	100.0
108.05274	1.1
118.06551	0.3
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
50.01608	0.2
51.02381	1.3
53.03951	10.9
55.01876	2.1
70.03957	0.9
70.04325	0.4
76.72711	0.2
77.03934	4.1
79.05499	11.6
81.03434	1.6
91.05497	0.4
95.04971	8.5
103.09441	0.2
105.04523	5.3
107.04962	100.0
108.05289	1.4
118.06551	0.2
124.27538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
51.02382	1.1
53.03951	10.9
55.01873	2.4
67.36949	0.2
69.43536	0.2
69.43704	0.4
69.44120	1.4
77.03936	4.1
79.05497	10.9
81.03418	1.4
81.60136	0.2
91.05484	0.4
92.52146	0.2
95.04973	9.4
95.12230	0.2
97.80306	0.2
102.24802	0.2
105.04518	5.3
107.04961	100.0
108.05287	1.1
118.06566	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01588	0.3
51.02380	1.4
53.03951	11.1
55.01877	2.1
59.11811	0.2
60.01478	0.2
63.87070	0.2
69.66486	1.4
69.66868	0.4
77.03934	3.6
79.01874	0.4
79.05496	12.3
81.03407	1.0
95.04371	0.5
95.04976	9.1
98.21399	0.5
105.04520	5.8
105.05215	0.3
107.04960	100.0
108.05307	1.0
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
50.01592	0.4
51.02378	1.0
53.03949	10.3
55.01875	2.0
55.76675	0.2
63.73781	0.2
64.97284	0.2
68.93656	0.2
69.66861	1.3
71.59481	0.2
72.10180	0.2
76.38471	0.2
77.03930	4.3
77.30653	0.2
79.05495	11.7
81.03429	1.3
91.05472	0.4
95.04971	9.2
105.04517	5.2
107.04958	100.0
108.05269	1.1
113.99876	0.2
118.06570	0.3
122.03344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02384	1.6
53.03950	9.3
55.01876	2.1
57.11246	0.2
58.58243	0.2
62.60515	0.2
65.03942	3.5
65.97461	0.2
67.05496	0.6
69.27679	1.9
77.03938	3.3
78.04693	0.2
79.01852	0.2
79.05495	15.0
81.03423	1.5
83.76221	0.2
84.20629	0.2
89.03934	0.2
91.05485	23.9
92.06260	0.6
95.04970	9.5
98.21530	0.4
98.52439	0.2
105.04520	5.3
105.07034	7.2
106.04209	0.3
107.04957	100.0
107.08591	6.5
108.05299	1.2
109.06500	2.3
110.77893	0.2
119.06064	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01599	0.3
51.02380	1.0
53.03948	9.6
55.01867	2.1
55.19848	0.2
65.03959	0.4
67.78296	0.2
68.99757	0.2
70.79663	0.4
70.80022	0.3
77.03931	4.3
79.05497	13.2
81.03422	1.3
87.27232	0.2
91.05487	1.8
95.04971	9.1
104.20899	0.2
104.21610	0.2
105.04517	5.2
105.07044	0.4
107.04958	100.0
108.05281	1.1
109.18107	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.5
51.02386	1.1
53.03952	9.8
55.01874	1.9
55.63025	0.2
61.26500	0.2
65.03945	0.4
69.19123	2.0
77.03938	3.9
79.05498	12.8
81.03416	1.4
91.05491	3.7
95.04973	9.2
95.32170	0.2
97.58901	0.2
100.44382	0.2
105.04521	5.2
105.07024	1.1
107.04961	100.0
107.08594	1.0
108.05318	1.1
109.06530	0.3
116.20120	0.2
119.06052	0.3
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
50.01612	0.2
51.02375	1.3
53.03951	11.3
55.01874	2.0
56.64050	0.2
65.03936	0.8
66.73100	0.2
70.26254	0.2
70.95120	0.4
70.95458	0.2
77.03927	3.7
77.04348	0.3
79.05497	13.4
81.03419	1.1
89.03925	0.2
91.05486	5.7
95.04976	10.0
98.20970	0.3
105.04524	5.0
105.07028	1.3
107.04960	100.0
107.08596	1.6
108.05283	1.4
109.06511	0.5
119.06068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.3
51.02379	1.1
52.32497	0.2
53.03950	10.6
55.01870	1.9
59.41696	0.2
60.21103	0.2
61.54052	0.2
65.03934	0.7
70.94888	0.2
70.95232	0.4
77.03933	4.3
79.05497	12.1
81.03413	1.5
91.05492	3.3
95.04974	10.1
98.21361	0.2
105.04521	5.9
105.05240	0.3
105.07029	1.0
107.04960	100.0
107.08588	0.7
108.05315	1.2
118.06560	0.2
119.06087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01592	0.5
51.02390	1.4
51.50687	0.2
53.03951	12.1
55.01673	0.2
55.01880	2.0
70.95081	0.5
77.03931	4.2
79.01877	0.2
79.05497	11.9
81.03436	1.4
91.05476	0.5
95.04974	8.8
98.20832	0.2
103.92338	0.2
105.04522	5.6
107.04961	100.0
108.05289	1.3
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
50.01598	0.4
51.02376	1.1
53.03951	10.6
55.01873	2.5
56.02193	0.2
57.72630	0.2
60.06629	0.2
60.77542	0.1
63.73296	0.2
65.85996	0.2
67.50385	0.2
69.43585	1.1
69.43990	0.4
77.03931	3.6
79.05496	12.1
81.03397	1.0
82.41825	0.2
91.05495	1.2
95.04971	9.4
96.73996	0.2
97.90942	0.2
103.35433	0.2
105.04521	5.0
105.07036	0.3
107.04959	100.0
108.05303	0.9
121.81766	0.2
124.56913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.3
51.02377	1.1
53.03949	10.5
54.66806	0.2
55.01872	1.9
57.12043	0.2
65.03932	0.3
69.95195	0.5
69.95616	0.7
72.28490	0.2
77.03934	3.4
79.05493	11.8
81.03425	1.5
91.05473	1.2
95.04967	9.3
105.04514	5.7
105.06964	0.2
107.04956	100.0
108.05280	1.4
113.92905	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.4
51.02384	1.2
53.03951	9.8
55.01878	1.8
57.89315	0.3
58.73083	0.2
58.80326	0.2
64.06090	0.2
77.03934	3.5
79.01839	0.2
79.05498	11.6
79.69990	0.2
81.03431	1.3
91.05493	0.7
95.04974	9.0
97.32353	0.2
98.21497	1.0
105.04523	5.2
107.04961	100.0
108.05307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	0.3
51.02390	1.2
53.03951	10.8
55.01875	2.4
55.84195	0.2
65.48560	0.2
71.11391	0.3
71.11757	0.4
71.13496	0.2
77.03941	3.8
78.55430	0.2
79.05498	11.7
81.03414	1.5
95.04974	9.8
105.04523	5.3
107.04959	100.0
108.05307	0.8
118.06554	0.2
120.06865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02378	1.5
53.03949	10.0
53.66780	0.2
55.01874	2.5
69.96519	0.8
77.03932	4.1
79.01839	0.2
79.05494	11.9
81.03420	1.4
85.66200	0.2
91.05450	0.2
95.04972	8.7
105.04513	5.2
105.07010	0.2
107.04957	100.0
108.05300	1.3
108.84448	0.2
118.06576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01592	0.3
51.02386	1.3
53.03953	10.3
53.20489	0.2
55.01868	2.0
66.16042	0.2
70.31470	0.5
74.12904	0.2
77.03940	4.0
79.01861	0.2
79.05502	12.3
81.03423	1.5
84.71439	0.2
91.05491	0.8
95.04977	9.7
105.04525	4.8
105.07019	0.2
107.04964	100.0
108.05277	0.9
118.06544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
50.14923	0.2
51.02386	1.2
53.00288	0.2
53.03949	10.9
55.01871	1.8
58.25957	0.2
58.97991	0.2
61.59263	0.2
65.03927	0.4
69.60686	1.4
77.03934	3.7
78.04703	0.2
79.05495	12.7
80.05837	0.2
81.03421	1.4
91.05482	1.4
92.09252	0.2
92.55011	0.2
94.29082	0.2
95.04971	9.1
98.21474	0.4
100.94672	0.2
105.04513	4.7
105.07001	0.5
107.04957	100.0
108.05299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.44339	0.4
53.03945	3.5
55.01867	0.9
65.03941	11.5
67.05515	2.2
69.18381	0.8
69.18783	3.2
71.98551	0.4
77.03944	0.8
79.05496	14.3
81.03436	0.7
85.98071	0.4
89.68388	0.4
91.05483	100.0
92.05762	0.7
92.06298	2.0
95.04969	3.1
97.44910	0.4
103.05469	0.5
105.04536	1.3
105.07033	27.4
106.04162	1.4
106.06548	0.5
106.07328	0.5
107.04960	23.6
107.08597	28.7
108.05315	0.5
109.06521	9.8
119.06075	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02386	0.4
53.03952	2.8
55.01867	0.9
55.05522	0.2
57.11900	0.2
63.91146	0.2
65.03944	14.0
67.05502	2.4
71.42863	0.2
77.03938	1.0
79.05495	14.5
80.05791	0.2
81.03418	0.6
91.05483	100.0
92.05797	0.6
92.06263	2.5
95.04974	3.7
103.05473	0.7
105.04542	1.6
105.07037	29.4
106.04187	0.9
106.07405	0.3
107.04958	21.6
107.08596	29.5
108.05283	0.2
109.06519	9.8
110.06790	0.2
119.06065	9.8
124.05246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03710	0.7
53.03949	10.6
55.01880	1.8
58.17479	0.3
62.99084	0.4
65.03940	11.9
67.05509	2.4
71.11708	0.8
77.03931	3.5
79.05495	22.8
81.03418	1.6
91.05482	88.9
92.06278	2.2
95.04966	10.1
103.05455	0.5
105.04535	5.9
105.07033	24.8
106.04182	1.3
107.04956	100.0
107.08591	25.5
108.05299	1.1
108.08138	0.5
108.08887	0.5
109.05796	0.8
109.06512	8.3
117.04298	0.5
119.06073	8.3
124.05195	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02377	1.3
53.03947	10.5
55.01871	2.0
58.82298	0.3
65.03940	14.0
65.85822	0.4
67.05508	4.2
71.50796	0.5
77.03931	2.9
79.05494	26.5
81.03439	1.3
82.33541	0.4
91.05481	100.0
92.05930	0.4
92.06284	2.9
95.04969	9.1
103.05449	0.7
105.04520	5.1
105.07031	27.9
106.04167	0.8
107.04955	71.7
107.08591	26.1
108.05303	0.5
109.06512	8.0
119.06073	8.0
120.97095	0.4
124.25475	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
75.30975	0.3
77.03925	0.9
79.05501	2.2
81.03429	3.1
84.08156	0.6
85.02913	1.8
91.05501	0.5
95.04981	2.8
97.02895	1.2
99.04450	2.1
103.03957	1.2
105.04548	2.3
107.04962	100.0
108.05298	5.8
109.02888	5.1
109.05466	0.9
110.03316	0.4
125.02126	3.9
127.03921	13.1
128.04256	1.9
129.03149	1.9
129.04459	0.5
137.06036	1.1
138.50089	0.3
145.05013	1.4
157.06300	0.8
169.04991	1.8
170.05212	0.4
181.05003	0.3
185.04256	2.4
185.05699	0.5
187.06052	1.9
188.06413	0.9
191.03107	0.4
201.05235	4.7
209.04257	0.4
213.12967	0.4
229.04788	1.1
229.07169	3.1
230.07489	1.5
231.07571	1.4
232.08000	0.6
247.05798	37.6
248.06154	0.5
251.05267	5.2
258.00433	0.4
269.06345	6.0
289.09341	1.4
290.09659	1.2
291.09830	1.2
311.07382	9.9
329.08456	30.3
445.14923	0.5
453.15161	2.2
469.14792	3.6
497.14545	0.7
515.15338	10.6
515.92816	0.5
516.15320	0.5
517.13837	0.5
535.14264	27.4
677.20837	0.6
697.19470	5.7
803.23694	65.6
804.24133	2.7
865.73401	0.4
965.28644	4.2
1071.33228	53.2
1072.33606	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	1074.403
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03926	0.9
79.05495	2.4
81.03419	11.8
84.08168	0.3
85.02913	0.5
89.88622	0.2
91.05476	0.6
95.04966	2.7
97.02887	6.2
99.04469	0.6
105.04509	1.7
107.04957	100.0
107.50846	0.2
108.05267	1.3
109.02880	72.4
110.03193	0.6
127.03921	22.0
128.04291	0.4
131.71602	0.2
137.06003	0.4
139.03911	4.1
139.04939	0.4
145.05054	0.2
161.06003	0.3
169.04965	31.3
170.05246	0.3
204.95587	0.2
211.06032	4.6
211.13921	0.2
213.09117	0.7
226.18509	0.2
229.07053	0.3
238.59633	0.2
261.35037	0.2
266.75226	0.2
271.08130	9.6
272.08347	0.3
331.10236	17.2
332.10580	0.6
356.34824	0.2
503.17612	1.8
640.76276	0.2
700.18683	0.6
934.98846	0.3
968.27319	0.3
1074.30396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1075.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	5.2
80.05011	3.2
81.03426	12.5
81.05794	1.8
81.07024	3.2
83.04987	2.9
84.08150	3.0
85.02893	15.2
86.09696	3.7
91.05487	10.9
92.05026	3.0
93.05773	5.4
93.07033	9.9
94.06571	21.0
95.04955	6.1
95.07348	7.4
96.08121	18.5
97.02885	8.1
97.06517	2.7
99.04459	2.1
103.05476	5.0
105.04539	2.4
105.07015	3.0
106.06565	11.0
107.04946	27.3
107.07328	6.7
108.04488	5.3
108.08121	59.9
109.02880	9.7
110.06054	3.4
110.09689	37.7
111.04414	2.3
116.04967	4.7
117.05712	2.5
118.06540	2.3
120.04488	6.4
120.08112	37.5
121.02948	1.7
122.06023	22.5
122.09681	15.1
123.06761	2.1
124.07598	14.3
127.03947	9.1
131.04932	2.6
131.07329	3.2
132.04419	3.0
132.08078	7.5
134.06012	13.2
134.09651	4.7
136.07585	51.2
137.05978	7.7
137.08308	2.7
138.09137	53.4
144.04460	8.8
144.08067	2.3
145.04912	1.8
146.06006	30.6
146.09686	4.3
147.04427	2.7
148.07571	44.4
149.05925	2.1
150.05510	3.8
150.09157	29.0
152.07066	32.0
158.05922	4.5
158.09534	2.1
160.03909	9.7
160.07574	13.4
162.05507	7.0
162.09157	6.5
164.07056	10.1
166.08643	100.0
167.07101	4.2
168.10210	2.3
172.03944	68.6
172.07578	4.7
174.05486	8.7
174.09117	7.2
176.07068	5.8
178.08644	4.1
180.10233	4.4
181.04984	2.6
182.09642	2.0
184.09888	2.5
186.09140	4.1
188.06969	2.0
190.04973	34.9
190.08612	2.2
192.06538	3.5
192.10097	2.3
194.08163	4.2
196.11304	1.9
197.08459	1.8
197.10739	7.0
198.09222	5.2
198.11511	7.7
199.12285	3.3
200.07120	3.8
200.10741	4.5
202.08620	3.2
204.06572	80.3
205.06866	2.3
208.09721	6.8
209.10797	5.8
210.09233	3.6
210.11548	6.2
211.08577	2.5
211.12265	20.1
212.10767	7.0
212.12975	3.5
213.10197	6.6
213.11989	2.9
213.13814	3.6
213.88611	1.9
214.08623	7.5
214.12395	4.2
216.06705	2.0
218.08087	6.1
220.09779	2.5
221.10875	3.3
222.11346	2.1
223.08632	4.4
223.12309	12.2
224.09428	4.3
224.13045	3.3
225.10262	26.2
225.13799	11.4
226.08780	4.4
226.11002	8.4
226.12738	2.4
227.11789	22.2
228.06639	2.6
228.10193	4.3
229.13400	5.4
230.08162	2.5
230.11809	15.1
233.10699	2.7
235.08714	5.3
235.12219	6.5
236.09415	3.6
237.10233	27.3
237.13885	4.5
238.08713	3.0
238.10892	14.0
239.08084	5.4
239.09242	3.2
239.11795	62.4
240.10260	3.4
240.12547	12.8
241.13335	11.9
242.11807	4.7
244.13322	48.8
245.13002	4.7
246.11304	2.3
247.12378	2.4
248.09560	2.5
249.10204	16.8
250.10918	18.5
251.08055	4.7
251.11806	63.3
252.08904	3.1
252.12575	16.0
253.09731	12.6
253.13376	39.3
254.10458	4.4
254.14183	4.5
255.11247	11.8
255.14917	2.5
257.12735	3.3
259.14545	4.4
260.09158	4.1
262.10919	5.8
263.11835	39.8
264.08963	8.7
264.12445	10.9
265.09738	19.0
265.13358	38.2
266.08087	4.0
266.10550	19.0
266.14136	8.2
267.11322	56.4
267.14896	7.3
268.11923	6.2
269.12885	13.8
271.11002	4.7
271.14423	13.5
273.12238	10.1
274.10837	5.7
275.11813	5.6
276.12509	3.9
277.09738	15.1
277.13373	10.8
278.10513	16.8
279.11307	73.8
280.12085	15.5
281.12845	46.5
282.13507	3.8
283.10721	5.7
283.14288	3.8
284.11664	6.4
285.12332	26.0
287.13950	2.7
291.11319	29.7
292.11853	19.1
293.09210	5.9
293.12747	31.0
294.10114	2.6
294.13538	5.3
295.10754	8.7
295.14453	7.9
296.11554	6.4
297.09146	3.6
297.12369	46.8
298.13086	6.5
299.10757	3.0
299.13950	46.4
300.14679	3.9
301.15720	2.4
303.11356	4.6
303.14755	2.6
305.12860	5.0
307.10754	14.9
307.14206	4.0
308.11307	3.5
309.12363	25.6
310.12857	21.4
311.10306	2.9
311.13876	33.6
312.14566	3.1
313.15576	12.0
314.16718	3.2
315.14459	3.2
317.12729	3.9
318.09888	3.1
319.10785	17.9
319.14496	4.5
321.12399	19.2
322.12836	3.0
323.10199	8.2
323.13892	9.9
325.11829	20.8
326.12732	2.7
327.13528	19.0
328.14240	3.4
330.16190	3.2
331.14371	6.4
333.12347	4.6
333.15936	3.6
335.13867	3.8
336.10794	6.1
337.11789	12.2
337.15460	3.1
338.12573	2.7
339.13483	16.2
341.15152	20.7
342.16037	3.3
343.13440	4.4
345.12167	5.2
345.15570	3.8
351.13367	4.8
353.15048	9.0
354.12033	3.3
354.16104	2.6
355.16861	4.0
356.14041	3.2
357.14511	28.0
358.15900	3.8
359.13638	4.6
359.17535	2.4
362.12393	2.1
362.18719	4.1
364.13846	2.5
365.14890	4.5
368.13831	2.8
369.14410	14.3
370.15225	2.5
371.15881	7.5
372.17334	3.2
373.15378	7.0
376.13910	3.8
376.20306	3.4
377.14828	5.2
379.12601	3.8
379.16772	3.6
381.14450	8.8
383.15997	6.0
384.17505	3.4
386.18735	4.1
387.16965	7.8
388.16513	3.4
389.14890	2.9
390.17996	2.0
391.16721	7.6
393.14459	5.8
394.14816	7.5
395.16046	6.3
396.16913	3.2
397.17511	7.4
398.15131	2.5
399.15540	3.3
400.16400	9.7
401.17004	7.0
402.17834	4.0
404.19849	4.7
405.18307	4.0
406.18637	6.5
407.16107	6.4
409.13672	3.2
411.15500	11.2
412.16678	4.8
413.16907	8.6
414.18051	4.2
415.18372	4.1
416.16660	14.4
417.13953	2.8
418.17789	3.1
419.16119	2.7
423.15549	8.8
425.17453	11.6
426.18085	2.9
428.15533	4.6
429.16650	16.8
430.17569	10.6
431.18265	2.9
432.19089	6.1
433.18817	6.5
435.15759	11.1
437.16919	7.3
439.14746	5.7
441.16394	14.9
442.17294	4.7
443.18100	15.4
444.19016	4.0
445.13895	3.9
446.20749	3.6
447.19247	5.8
448.19138	3.8
449.17236	4.8
450.20526	2.5
451.15121	6.2
453.16666	23.5
454.17758	4.2
455.18304	14.0
459.17648	2.8
460.19125	2.2
461.19073	3.6
462.20471	2.7
463.14966	9.9
464.21613	3.5
465.16098	3.4
467.18091	6.7
469.16095	20.4
470.16766	4.2
471.17606	15.9
472.18362	3.5
473.19214	2.5
474.20297	5.7
475.18842	3.1
481.16025	28.6
482.16260	3.2
483.17526	11.3
484.18381	3.2
485.18991	6.3
487.17242	6.6
490.19409	2.4
491.21259	2.2
492.21265	4.3
495.17444	2.7
497.18994	3.2
501.18741	3.8
503.20209	2.3
513.18524	4.4
514.19720	4.0
515.20386	6.2
519.19324	2.9
522.21741	3.0
524.22479	2.6
530.22449	5.1
532.18707	6.7
534.21716	2.7
535.20441	15.9
536.22290	3.8
547.20770	14.3
548.22076	4.1
549.22473	16.5
556.20819	8.1
558.22241	3.0
559.20673	7.8
560.24030	4.3
566.24908	5.5
568.21130	6.5
570.22369	3.3
572.23798	6.2
574.21643	10.5
575.20209	21.8
576.21161	8.0
577.22083	15.9
578.24353	5.2
586.21759	4.6
588.23499	14.9
590.24896	8.2
592.22803	13.1
593.22021	4.8
594.24554	9.1
598.21887	3.5
600.23169	11.5
604.22913	11.1
606.24359	22.8
607.22852	23.1
608.25287	16.8
609.24768	12.4
616.22473	6.0
618.24463	5.3
624.25525	20.4
628.26526	4.4
632.22974	3.3
634.24011	34.2
636.25580	15.3
648.25134	2.5
652.24670	4.3
655.27356	4.4
666.26141	8.1
668.29407	2.9
672.28961	6.7
680.24847	3.9
684.29016	2.7
693.28339	2.8
694.27368	8.6
695.30511	9.1
698.27100	54.2
699.27411	2.9
703.26477	3.5
711.30450	3.0
712.28784	11.4
713.30933	3.3
714.29346	5.8
716.30774	5.3
721.28705	37.3
725.31787	5.2
728.28571	7.3
729.31537	2.6
730.29688	62.0
731.31268	7.4
734.29254	9.7
735.29559	2.7
739.29797	21.6
740.27240	4.2
742.30176	14.2
743.31934	5.4
752.29523	4.0
753.31091	9.3
754.29797	2.5
756.29694	4.4
757.30804	63.0
758.29449	6.7
760.26855	10.4
762.27930	3.0
770.31439	20.7
771.30981	3.8
772.31610	3.9
774.31989	3.5
775.31189	8.1
778.28442	4.6
789.33600	11.9
792.30054	3.9
796.15613	3.0
796.29382	45.7
797.29395	6.4
798.29529	3.9
814.29578	5.9
817.33636	3.9
828.32098	15.3
829.32080	4.4
835.35907	17.3
845.33264	3.9
847.32001	3.2
849.36823	9.4
857.35181	6.8
860.33459	2.9
863.35858	11.1
865.32507	3.6
867.21863	3.7
867.38055	44.3
874.33868	3.0
876.34888	5.7
878.36884	3.3
883.34027	24.1
893.37836	5.3
901.34058	7.0
902.32587	4.7
903.33447	4.6
904.34473	8.1
915.36401	4.7
919.35980	39.8
920.35388	9.0
951.39667	10.7
952.37518	2.9
997.40997	2.9
1025.38989	5.0
1029.41821	5.1
1057.39990	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
76.95964	2.6
77.03940	2.9
79.05082	2.9
79.05503	47.9
81.03419	15.8
81.07057	49.5
81.07516	3.7
83.04979	7.2
83.08602	8.4
84.04496	3.4
84.08125	3.0
85.02902	6.5
85.06537	2.7
86.09708	14.5
91.05479	41.0
93.07045	41.7
95.01350	13.6
95.04965	11.5
95.08611	36.9
97.02910	6.7
97.06565	4.7
103.05469	5.3
105.03410	3.6
105.07032	30.4
107.04922	14.0
107.08579	23.9
107.76872	2.5
109.02872	8.0
109.06503	8.3
109.10167	21.7
111.04414	3.1
111.08098	4.4
117.07016	13.6
119.04971	5.0
119.08599	20.0
120.08136	5.5
121.02888	3.4
121.06503	13.4
121.10157	19.0
123.04443	7.9
123.08066	4.7
123.11658	5.0
125.02302	4.6
125.09671	2.9
127.03922	6.5
129.07021	13.7
131.04947	12.5
131.08575	20.0
133.06487	7.5
133.10135	18.1
135.04420	7.9
135.08031	5.3
135.11694	11.9
137.06015	3.8
139.03972	2.7
141.01862	4.2
141.07002	5.9
141.10181	4.6
143.08578	5.6
145.06471	7.5
145.10149	12.0
147.04391	15.6
147.08055	4.8
147.11647	12.5
149.05937	7.1
149.09622	6.5
149.13274	5.5
151.03957	12.9
151.11136	3.3
153.06981	2.6
154.07713	2.7
155.08563	8.7
157.06544	3.3
157.10147	10.1
159.04478	3.0
159.08058	4.5
159.11664	7.8
161.05994	6.5
161.09625	2.4
161.13254	7.7
163.03915	8.6
163.11220	2.8
169.04979	7.8
169.09956	11.6
171.08092	3.4
171.11633	3.5
173.09631	4.2
173.13228	5.3
175.03879	8.7
175.07521	3.6
175.11153	4.0
177.12730	5.1
179.03436	2.5
181.05029	2.8
181.10129	3.9
183.11621	3.4
185.09616	3.4
185.13286	6.2
187.11159	5.6
191.03447	3.7
193.12305	5.9
197.09570	5.3
197.13202	3.4
199.07674	3.3
199.11148	5.6
201.16658	2.8
205.12224	4.4
207.02925	3.4
209.09267	2.9
209.44991	2.5
215.10757	3.5
219.10213	2.5
221.54944	2.8
227.10641	5.6
233.11713	4.9
241.12195	5.3
243.10194	5.2
243.21053	5.8
245.11789	6.6
251.12790	6.4
255.10216	3.3
259.13403	4.2
259.20517	5.8
261.11105	3.4
261.22174	11.0
267.15692	2.6
269.11618	5.2
271.13174	5.6
279.12381	4.5
287.12772	19.9
289.14215	3.9
305.13788	8.4
315.12155	10.4
333.13385	19.8
333.24246	3.9
335.25821	93.7
336.25870	5.1
351.14374	14.8
366.85861	3.1
369.15588	5.4
407.16946	26.6
425.18158	25.0
443.19006	15.8
527.37317	8.0
587.23511	3.3
593.35046	3.3
611.35394	8.5
623.39551	3.6
625.37128	7.1
631.37885	3.9
649.37103	6.4
667.38464	68.2
668.38324	3.5
685.39471	96.0
686.39270	3.5
703.40430	100.0
721.41376	12.0
775.42664	3.4
847.44830	18.2
1080.56787	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	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	3.5
51.09793	0.7
53.00312	1.2
53.03952	67.4
55.01882	3.0
55.05519	12.0
56.98129	0.8
65.03945	5.4
67.05511	90.4
68.05856	1.0
69.07062	5.0
71.50989	1.0
75.20180	0.9
79.05502	16.3
80.06281	1.7
81.03426	100.0
81.07063	40.5
82.03764	0.8
82.06613	1.2
91.05489	3.0
93.06163	0.8
94.04208	2.7
94.07861	1.3
107.04988	1.1
107.08616	1.5
109.02891	24.4
109.03609	1.7
109.06521	15.1
109.07657	3.1
109.10165	45.3
110.06046	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02390	1.0
53.03951	28.6
53.22054	0.5
55.01873	1.8
55.05515	11.7
63.14754	0.4
64.07059	0.5
64.43013	0.5
65.03938	5.3
66.80659	0.5
67.05508	100.0
69.07068	6.2
71.51108	0.4
71.51543	0.7
79.05499	12.5
80.06280	1.7
81.03423	41.0
81.07060	35.4
82.06576	0.8
87.00471	0.9
91.05497	2.5
92.04980	0.8
94.04194	2.0
94.07818	1.3
105.06982	0.7
107.04952	1.0
107.08618	3.5
109.02888	9.3
109.06525	7.9
109.07237	0.5
109.07656	1.7
109.10162	39.4
110.06055	4.3
110.10509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03952	7.2
55.01878	0.7
55.05515	9.2
65.03949	4.8
66.44818	0.4
67.05508	100.0
68.05843	0.6
69.07069	6.3
69.37363	2.6
76.86370	0.4
79.05495	10.8
80.06270	0.9
81.03424	9.9
81.07063	29.4
82.06586	1.4
91.05484	1.8
93.43451	0.4
94.04214	0.7
94.07819	1.2
104.88209	0.4
105.07045	0.5
107.08601	3.2
109.02903	2.7
109.05378	0.5
109.06525	4.1
109.07696	2.7
109.10162	34.3
110.06055	5.2
110.10519	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02385	3.4
53.00301	1.4
53.03952	61.6
54.04288	1.6
55.01872	2.2
55.05519	10.1
65.03949	5.8
66.04732	0.7
67.05510	100.0
69.07075	5.9
69.07398	1.0
69.38398	1.3
69.38800	6.2
79.05498	18.2
80.06288	1.0
81.03425	85.4
81.07063	40.1
82.06583	1.3
91.05487	7.2
94.04190	8.3
94.07815	1.7
107.04945	3.7
107.08588	4.7
109.02892	19.4
109.06525	23.3
109.07632	3.4
109.10165	49.4
110.06037	7.8
119.06049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03922	0.5
79.05496	1.8
81.03419	27.5
82.03747	0.4
83.01337	0.7
83.04995	0.3
85.02907	5.7
85.03425	0.3
87.04504	0.4
91.05481	82.4
92.05810	0.9
95.04968	1.7
97.02893	10.4
99.04461	6.2
99.06688	0.3
103.03955	0.5
103.05459	0.7
105.03383	1.9
105.04515	0.6
105.07027	2.4
107.04957	31.7
108.05293	0.3
109.02881	42.3
110.03199	0.4
111.04444	1.1
114.69083	0.2
115.03918	0.9
115.05449	10.1
117.07026	6.5
118.07233	0.3
119.04935	2.4
121.02880	0.4
123.04425	0.5
125.02345	1.5
127.03918	70.4
128.04234	0.7
128.05232	0.2
128.06216	0.3
129.07002	0.9
131.04883	0.4
133.02821	0.3
133.05482	0.4
133.06487	9.0
135.04298	0.3
139.03906	1.2
141.05464	0.5
143.04913	4.5
145.04959	3.1
145.06485	3.5
147.04411	0.8
147.07913	0.3
151.03935	0.6
153.07001	0.9
155.03365	0.4
155.06068	0.3
155.08549	0.3
157.06482	0.4
159.04347	0.3
161.05980	100.0
162.06352	1.8
163.03970	0.3
165.05547	0.4
167.08600	0.5
169.04967	12.7
171.04402	9.9
171.08049	0.9
173.04445	0.7
173.05890	0.4
174.06322	0.2
175.03911	0.8
179.07036	21.4
181.04916	0.3
181.06459	0.7
183.08054	0.4
185.06087	0.4
187.06017	7.4
187.07668	0.4
189.05464	5.3
189.07050	0.4
195.08008	0.4
197.05988	0.6
199.03941	0.4
199.07552	2.3
203.06967	0.7
205.05075	0.5
205.07039	1.0
207.06540	1.0
209.05942	0.7
211.06003	1.0
215.05371	0.4
215.07121	0.7
217.04968	1.8
217.08502	0.4
221.08029	1.9
222.60654	0.3
223.07600	1.3
227.07048	0.5
229.04858	0.5
229.07083	6.1
231.06548	1.9
233.08051	1.2
235.05997	1.8
239.07005	0.3
240.09608	0.3
241.08528	0.5
243.10161	0.9
249.07585	5.5
251.06931	0.7
253.07108	2.0
257.08078	0.6
263.09146	0.3
269.08038	3.3
271.08130	0.8
287.09155	10.1
288.09482	0.3
289.09161	3.6
291.08530	0.9
295.08066	1.0
297.07455	0.8
305.10199	17.7
306.10706	0.3
313.09125	0.5
315.08624	10.6
323.11282	3.2
329.10303	0.6
333.09686	2.5
341.10046	0.4
347.11304	4.9
351.10724	0.4
357.09729	1.6
365.12332	11.9
366.12610	0.4
375.10730	4.3
379.09875	0.4
389.12457	0.3
393.11743	0.9
395.11398	0.4
407.13306	0.4
413.12082	0.9
417.11868	1.8
423.10690	0.3
431.13443	2.1
435.12643	1.5
441.11859	3.5
449.14151	0.7
453.13861	0.3
459.12909	6.6
473.14355	0.5
477.13898	9.1
478.14368	0.3
495.15088	4.1
501.14050	2.3
519.07574	0.6
519.15015	12.5
520.15497	0.4
537.16217	0.3
561.15845	0.6
579.17267	1.7
603.16449	0.6
621.18256	2.2
639.09363	0.4
639.19257	8.3
640.19788	0.4
641.60864	0.3
701.20740	4.2
809.22394	0.4
827.24115	2.1
828.23480	0.4
845.24976	1.9
1092.36023	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03939	0.6
79.05505	1.5
81.03419	26.6
83.01367	0.5
83.04974	0.4
85.02905	5.5
89.03878	0.3
91.05482	75.7
92.05824	1.4
95.04942	1.9
97.02891	9.3
98.20701	0.6
99.04454	6.4
103.03946	0.9
103.05479	0.5
105.03394	1.7
105.04521	0.3
105.07041	2.5
107.04958	30.1
108.05319	0.5
109.02882	40.7
110.03173	0.4
111.04449	0.8
115.03941	1.0
115.05452	9.2
117.07024	5.7
119.04930	2.7
121.02892	0.6
123.04488	0.7
125.02382	1.6
127.03919	71.9
128.04240	1.1
129.06947	0.4
133.06496	9.2
135.04437	0.4
139.03917	0.9
141.05428	0.4
141.07065	0.3
143.04897	3.4
145.04955	2.9
145.06482	2.6
147.04422	0.4
147.08104	0.3
149.05978	0.4
151.03909	0.8
153.07007	0.4
155.08557	0.4
161.05983	100.0
162.06329	2.5
167.08502	0.5
169.04982	12.6
171.04413	8.8
171.07999	0.5
172.04878	0.5
173.04500	1.1
173.06032	0.6
175.03926	0.4
177.05544	0.5
179.07033	20.6
181.06519	1.0
183.08099	0.6
187.06021	7.2
187.07666	0.5
189.05470	4.8
195.08101	1.1
197.05905	0.5
199.07558	2.2
203.07068	0.7
205.04985	0.7
205.07094	1.1
207.06531	1.2
209.05966	0.6
211.05966	1.0
213.09093	0.8
215.05295	0.5
215.07161	0.8
217.04976	1.0
217.08557	0.6
221.08105	2.7
223.07541	1.5
225.09154	0.6
227.07095	0.4
229.07053	5.9
231.06503	2.0
233.08058	1.7
235.06009	2.3
241.08823	0.4
243.10201	0.9
247.08093	0.4
249.07570	5.3
251.07091	0.8
253.06953	2.1
263.09076	0.4
269.08041	3.3
271.08130	1.2
277.30569	0.3
287.06012	0.4
287.09158	9.0
289.09189	3.7
291.08694	0.9
291.92566	0.4
295.08038	0.5
297.07611	0.8
305.10196	17.6
313.09451	0.6
315.08646	11.7
316.08795	0.5
323.11377	3.1
333.09610	2.2
347.11249	4.2
351.10907	0.7
357.09644	0.8
365.12341	11.4
366.12469	0.5
375.10803	3.4
393.11761	1.0
413.12271	1.2
417.11746	1.5
431.13589	1.9
435.12814	1.2
441.11609	2.4
449.14352	0.5
459.12903	6.3
473.14041	0.5
477.07391	0.6
477.13922	9.2
478.14526	0.5
495.14883	3.8
501.13898	2.4
519.14984	11.6
561.15906	0.5
579.17065	1.9
593.43066	0.4
603.16412	0.5
621.17664	1.6
639.19312	8.2
640.19305	0.5
701.20691	3.8
827.23633	1.8
845.25830	1.7
965.90332	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03920	0.9
79.05476	1.4
81.02930	1.3
81.03419	29.5
85.02909	6.3
91.05482	77.9
92.05814	1.3
95.04965	1.6
97.02897	10.9
99.04462	6.3
103.05460	1.1
105.03406	2.3
105.04523	0.9
105.07024	3.2
107.04957	35.0
109.02881	42.7
110.03175	0.7
111.04443	1.1
115.03953	1.2
115.05458	10.3
117.07013	6.4
119.04926	3.2
121.02852	0.8
123.04458	0.8
125.02361	1.1
127.03918	71.1
128.04257	0.7
129.03355	0.6
130.89488	0.6
131.04938	0.7
133.06502	10.7
135.04463	0.9
137.05994	0.7
139.03874	0.8
141.07002	0.6
143.04895	4.0
143.08611	0.8
145.04953	3.9
145.06496	2.7
147.04430	1.1
151.03903	0.8
157.06509	0.6
161.05983	100.0
162.06302	2.2
169.04967	12.8
169.06363	0.9
171.04417	8.7
171.08084	0.6
173.05910	0.6
179.07030	18.7
181.06416	0.8
187.06046	8.2
189.05461	4.3
190.88310	0.5
197.06006	0.5
199.07477	2.6
203.07002	0.8
205.04953	0.7
205.07013	1.3
207.06482	1.0
211.05960	1.0
213.09203	0.9
215.06985	1.0
217.04999	0.8
221.08086	2.3
223.07553	1.2
229.07054	5.9
231.06494	2.0
233.08102	1.9
235.06044	2.0
243.10156	0.7
249.07608	6.4
253.07047	2.0
269.07974	3.5
271.08029	1.3
287.09131	11.0
289.09097	3.3
291.08563	1.5
297.07364	0.8
305.10178	19.2
315.08640	9.8
323.11273	3.2
333.09549	3.1
347.11218	4.9
357.09784	1.4
365.12296	11.2
367.11362	0.7
375.10864	4.4
393.11777	1.2
407.13193	0.9
413.11829	1.3
417.12067	2.8
431.13245	2.2
435.12512	1.5
441.11826	3.2
449.14642	0.7
459.12906	5.5
473.13885	0.7
477.13931	9.4
495.15036	4.1
501.13776	1.9
519.15009	12.9
561.15820	1.0
579.16785	1.7
603.16522	1.0
621.17969	2.5
639.19098	8.9
701.20630	3.8
755.36053	0.7
827.23212	1.7
845.24811	2.5
908.15356	0.6
1010.91272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03941	1.1
79.05502	2.4
81.03424	14.3
82.03765	0.2
84.18597	0.1
85.02924	0.4
91.05495	0.3
95.04979	2.8
97.02901	7.3
98.21214	0.2
99.04465	0.5
101.27587	0.1
105.04515	1.6
107.04965	100.0
108.05294	1.6
109.02887	80.2
109.59444	0.1
110.03204	1.1
112.17808	0.1
117.07040	0.2
119.04941	0.2
119.10264	0.1
127.03928	23.7
128.04285	0.3
139.03911	4.1
161.06070	0.2
169.04976	36.0
170.05304	0.4
175.17386	0.2
211.06026	5.3
213.09105	0.4
216.99236	0.1
229.07088	0.4
271.08148	10.2
272.08578	0.2
321.78879	0.2
331.10272	17.0
332.10468	0.6
537.16144	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1108.387
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03919	0.9
78.04708	0.1
79.05059	0.2
79.05493	2.0
81.03415	9.9
82.03757	0.1
83.01335	0.3
83.04956	0.1
84.08137	0.1
85.02901	5.1
86.09692	0.2
87.04465	0.1
89.03902	0.1
90.56004	0.1
91.05482	0.9
93.07043	0.2
95.04966	2.3
97.02890	7.6
98.21172	0.1
99.04453	4.6
103.03940	1.2
105.04519	1.1
105.07019	0.2
107.04952	100.0
108.05286	1.2
109.02874	25.2
110.03188	0.3
115.03937	0.2
115.05475	0.1
117.06981	0.1
119.04944	0.3
121.02899	0.1
122.03571	0.1
127.03914	29.5
128.04243	0.3
129.05380	0.1
131.04971	0.1
131.08624	0.2
133.06491	0.1
137.06007	0.6
138.06320	0.1
139.03897	1.3
141.05467	0.2
143.22093	0.1
145.04959	2.9
145.06212	0.2
147.04364	0.1
147.70338	0.1
149.06033	0.1
150.90536	0.1
151.03976	0.1
159.08109	0.2
161.05995	0.7
167.06982	0.1
169.04961	8.1
170.05344	0.1
179.06990	0.3
184.05476	0.1
187.06013	11.9
188.06306	0.2
189.05443	0.1
197.05978	0.1
205.07068	1.6
211.05959	0.3
213.09033	0.5
215.07051	0.6
225.07542	0.2
229.07066	16.4
230.07489	0.3
233.08047	0.3
247.08125	22.0
248.08450	0.4
275.08960	0.1
289.09171	6.7
290.09540	0.1
293.10214	0.2
325.11072	0.1
353.12024	0.1
419.87958	0.1
453.13684	0.1
495.14874	0.1
559.14270	0.1
850.92487	0.1
890.24756	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	111.0444
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
53.03953	3.0
55.01878	3.9
55.05514	44.7
57.93571	0.7
64.38395	0.4
65.03945	8.1
67.05503	1.5
69.03077	0.5
69.03427	2.1
69.07055	1.9
70.94230	0.6
71.01357	0.9
71.51128	0.6
74.93822	0.4
78.99936	0.4
81.07088	0.5
82.04183	0.7
82.05325	0.4
83.04986	29.7
83.06071	1.0
83.06925	0.7
83.08636	0.5
85.02914	0.6
88.00489	14.8
91.05475	1.1
93.03417	1.4
93.07040	1.9
94.65478	0.4
95.04988	0.5
96.53183	0.4
97.01001	7.2
97.64700	0.5
99.51276	2.0
106.01531	0.8
109.32218	0.5
111.00867	2.1
111.04446	100.0
111.06397	1.9
111.08067	4.3
111.09229	0.8
112.03980	0.8
112.04771	0.8
112.07599	2.2
115.96450	6.7
116.97218	2.4
117.95972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03928	1.2
79.05494	2.4
81.03418	9.3
82.59914	0.2
82.88774	0.2
85.02899	1.2
91.05481	55.1
92.05820	0.8
95.04968	3.1
95.69946	0.2
97.02890	5.0
98.21113	0.5
99.04459	1.4
103.05462	0.7
105.03399	1.2
105.04523	1.2
105.07035	2.3
107.04956	87.1
108.05307	1.2
109.02880	20.6
113.33643	0.2
115.05457	6.4
117.07018	4.0
119.04951	1.6
123.06906	0.2
127.03917	29.2
128.04262	0.3
133.06494	10.1
139.03934	0.6
143.04918	2.4
145.04968	0.5
145.06490	1.0
147.04407	0.3
155.08516	0.3
159.04460	0.4
161.05978	100.0
162.06314	1.7
167.08502	0.2
169.04971	8.0
169.06367	0.3
171.04405	7.1
171.08049	0.3
179.07037	17.1
180.07291	0.4
181.06453	0.5
187.06023	0.6
189.05486	3.4
195.08047	0.3
199.07486	0.7
207.06494	0.5
209.05977	0.5
211.05969	0.8
212.30396	0.2
213.09059	0.9
223.07504	0.7
229.07089	4.5
231.06529	0.3
243.10069	0.3
249.07587	15.9
250.07936	0.4
257.08017	0.3
265.39117	0.3
269.08124	1.4
287.09143	10.2
289.09210	2.7
297.07449	0.3
305.10214	1.0
315.08618	26.2
316.08884	0.8
333.09595	1.4
347.11221	1.5
357.09576	0.6
375.10770	9.1
393.11594	0.4
407.13153	0.6
417.11591	0.3
422.01489	0.3
435.12973	2.3
453.14026	0.4
477.13965	0.6
495.15015	14.6
496.15259	0.6
701.20715	4.2
702.20953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03921	1.0
79.05502	2.6
81.03420	9.9
83.01337	0.3
85.02906	1.2
91.05483	56.6
92.05818	0.9
95.04984	2.7
97.02895	5.4
99.04463	1.5
103.03918	0.3
103.05488	0.6
105.03393	1.4
105.04514	1.3
105.07021	2.3
107.04959	87.9
108.05270	1.2
109.02884	20.3
115.05463	6.3
115.06287	0.4
117.07018	3.8
119.04938	2.0
122.03707	0.2
125.02368	0.3
127.03923	30.1
128.04233	0.4
131.04919	0.4
133.06497	10.6
137.05995	0.9
139.03908	0.5
143.04930	2.4
145.04941	0.3
145.06516	1.1
147.04425	0.3
151.03896	0.2
155.08614	0.3
157.06523	0.4
158.59685	0.2
159.04448	0.3
161.05984	100.0
162.06357	1.3
169.04980	7.6
171.04413	6.5
171.08026	0.4
173.06084	0.3
179.07047	16.0
180.07323	0.4
181.06401	0.5
187.06009	0.5
189.05489	3.4
195.08080	0.3
197.05934	0.3
199.07571	0.4
207.01431	0.2
207.06494	0.6
209.06017	0.4
211.05998	0.7
213.09152	0.7
217.08522	0.3
221.08017	0.2
223.07523	0.4
227.07056	0.3
229.07082	5.2
231.06517	0.3
249.07597	15.0
251.07021	0.4
269.08121	1.2
287.09146	9.0
288.09528	0.2
289.09210	3.0
297.07523	0.3
305.10150	0.9
315.08621	26.9
316.09030	0.7
333.09686	1.6
347.10941	1.0
357.09732	0.5
375.10742	8.3
376.11346	0.3
407.13126	0.3
435.12909	1.8
477.14008	0.5
495.14993	15.3
496.15045	0.4
626.73718	0.2
701.20752	3.4
702.20453	0.3
863.31293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03933	0.5
79.05477	0.8
81.03421	9.5
83.01335	0.3
85.02901	1.2
86.09706	0.3
86.72743	0.2
89.66504	0.2
90.66021	0.2
91.05483	53.6
92.05795	0.4
95.04961	1.0
97.02888	5.3
98.21507	0.6
99.04448	1.8
103.05480	0.4
104.65544	0.2
105.03407	1.1
105.04489	0.5
105.07031	2.2
107.04960	29.4
108.05275	0.6
109.02883	20.3
110.03192	0.4
115.05461	5.5
115.06262	0.3
117.07015	3.6
119.04948	1.5
123.86549	0.2
127.03921	30.1
128.04230	0.3
129.06999	0.3
130.24014	0.2
131.04918	0.4
133.06499	10.0
134.06801	0.3
137.06020	0.2
139.03905	0.6
141.05429	0.2
143.04930	2.4
145.04897	0.5
145.06496	1.1
157.06540	0.2
161.05984	100.0
162.06346	1.7
169.03542	0.4
169.04979	8.4
171.04416	6.8
172.04819	0.3
179.07039	16.7
181.06517	0.4
187.05997	0.7
189.05473	3.4
195.08183	0.3
199.07556	0.6
207.06511	0.6
211.06076	0.7
213.09143	0.6
223.07576	0.6
227.07037	0.3
229.07085	4.3
239.07034	0.3
243.10219	0.3
249.07596	15.5
249.75583	0.3
250.08110	0.5
251.06972	0.3
269.08035	1.4
287.09140	8.6
288.09442	0.3
289.09192	2.5
297.07446	0.4
305.10153	0.9
315.08621	25.3
316.08899	0.8
333.09732	1.5
347.11136	0.9
357.09756	0.5
375.10757	7.7
393.11508	0.3
407.13550	0.5
423.56320	0.2
435.12839	1.7
449.14346	0.4
477.13913	0.4
495.15002	12.6
496.15158	0.5
701.20947	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	1110.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03924	1.2
79.05492	2.3
81.03419	9.1
83.01323	0.3
84.95943	0.2
85.02921	0.9
91.05483	53.0
92.05811	0.5
95.04974	2.7
97.02898	4.8
97.70216	0.1
99.04454	1.4
101.59055	0.1
103.03931	0.2
103.05476	0.2
105.03419	1.1
105.04513	1.5
105.07034	1.9
107.04958	79.8
108.05291	0.8
109.02879	19.7
115.05457	5.4
117.07024	3.2
119.04919	1.1
127.03920	28.2
128.04257	0.2
128.06244	0.2
129.07005	0.2
131.04916	0.4
133.06493	10.0
139.03903	0.5
141.05496	0.2
143.04927	2.6
143.05988	0.2
145.04944	0.4
145.06480	1.3
147.04419	0.5
153.07104	0.3
157.06493	0.3
159.04463	0.3
161.05983	100.0
162.06314	1.7
167.08565	0.2
169.04970	7.5
171.04416	6.2
171.08028	0.3
179.07040	17.0
180.07356	0.3
181.06522	0.4
183.08122	0.2
187.05981	0.4
189.05481	3.5
193.67482	0.1
195.07974	0.3
197.06006	0.3
199.03888	0.2
199.07603	0.5
205.05084	0.2
205.07025	0.2
207.06566	0.7
209.06018	0.2
211.06000	0.7
215.07018	0.2
217.08730	0.2
221.08098	0.2
223.07544	0.5
225.09074	0.2
227.07085	0.3
229.07089	4.3
231.06577	0.4
239.07068	0.4
243.10294	0.2
249.07591	14.8
250.07974	0.3
257.08139	0.3
269.08142	1.2
279.06467	0.3
287.09149	10.1
288.09436	0.2
289.09192	2.7
297.07684	0.4
305.10172	1.0
315.08624	28.5
316.08987	0.5
333.09717	1.6
347.11240	1.3
357.09650	0.6
375.10767	8.8
376.11111	0.2
393.11829	0.4
407.13336	0.6
435.12894	1.7
453.13751	0.2
477.13760	0.5
495.15012	14.4
496.15390	0.6
701.08508	0.2
701.20776	3.8
702.21252	0.2
906.98425	0.2
973.05786	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.5288
Annotation	Unknow
Peak:m/z	Relative Intensity
77.37020	0.5
79.00442	0.5
79.05500	9.2
81.03419	7.2
81.07059	100.0
82.07398	0.6
83.04982	6.7
85.02908	35.9
87.00831	7.6
87.04453	0.9
91.05495	0.9
93.07053	1.8
95.04981	1.6
95.08612	15.8
97.02892	6.0
97.06505	0.5
99.04443	2.9
100.19630	0.5
100.65405	0.4
103.03967	3.0
105.01872	12.2
107.04963	2.1
109.02882	8.8
109.10164	1.4
111.04444	9.3
112.15719	0.4
113.02328	0.6
113.06049	0.7
123.04443	0.9
123.11720	0.6
125.02336	0.8
127.03933	16.5
129.01872	1.2
129.05489	7.0
135.04442	1.3
137.05984	1.0
137.13264	37.0
138.13600	0.9
139.03867	1.1
145.04977	3.6
146.08183	0.5
147.02928	1.2
147.06526	3.7
151.03938	1.3
153.05493	1.0
154.15944	2.4
157.05003	0.5
159.02957	1.6
163.07550	0.7
164.09180	2.8
167.07108	0.9
169.04984	0.4
170.49846	0.5
171.02931	0.7
171.06555	1.2
173.04506	1.1
177.05414	1.0
181.04958	0.9
183.06442	0.6
189.03969	5.8
191.07054	0.6
193.05070	0.7
195.06580	0.9
213.03940	5.3
213.07619	1.9
215.05643	0.5
219.06659	0.7
231.05040	7.0
231.08693	1.5
237.07578	7.3
249.06006	4.5
255.08676	6.2
273.06186	0.8
273.09702	0.6
275.07455	0.9
285.06223	0.7
291.10779	0.6
303.07175	0.6
315.10736	8.5
323.07611	0.7
341.08710	4.7
359.09738	8.6
377.10748	7.9
395.11902	4.7
430.15710	1.2
553.85693	0.5
981.47314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01912	0.4
52.39532	0.2
54.17310	0.2
55.01870	0.3
55.93531	0.5
56.16625	0.2
56.96569	4.2
63.16063	0.2
66.00519	0.3
67.03013	1.1
68.01394	1.1
68.05019	0.2
69.03445	1.5
69.04558	9.4
70.06597	2.5
70.26955	0.4
70.27306	0.5
70.94262	6.4
70.95863	3.1
70.98122	1.0
71.02473	0.5
71.94110	0.5
71.95265	0.3
72.20299	0.2
75.01047	0.8
82.01429	0.4
84.01572	1.8
84.08148	1.8
88.95309	1.2
88.96940	0.5
89.00820	0.4
89.71432	0.2
93.02139	0.5
94.04062	4.7
95.02460	29.6
95.06095	0.7
96.02799	0.2
96.04510	0.2
98.97567	0.5
100.02499	0.4
101.00924	0.3
102.02242	0.2
108.20721	0.2
110.97560	0.3
111.96883	0.4
112.05096	100.0
112.07599	1.6
112.11243	1.9
112.89639	0.4
113.02375	0.3
113.03529	0.3
113.04735	0.3
113.05437	0.7
116.98631	0.2
118.03554	0.2
119.01905	0.4
121.44252	0.2
128.98640	0.3
129.97894	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	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
50.31621	1.2
55.01866	1.8
55.05504	5.7
57.03421	2.9
57.07078	79.5
64.05368	1.3
65.03945	9.7
67.01866	3.1
67.05507	100.0
69.07067	1.6
69.83995	2.4
69.84398	4.8
70.02949	5.5
71.05000	17.4
71.94099	1.6
72.93784	11.9
73.51012	1.4
83.08355	1.2
85.02906	1.8
85.06547	31.7
90.94830	3.0
91.33767	1.3
94.59097	1.2
95.01355	1.5
95.04968	28.7
96.00857	2.2
113.02371	53.5
113.03532	3.8
113.06002	22.2
122.26240	1.3
126.85828	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.9641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27925	0.1
53.03955	0.1
55.01872	0.4
55.93521	1.0
56.56824	0.1
56.96566	1.4
57.03440	0.4
58.99873	0.2
59.05006	0.2
68.05042	0.9
69.03429	0.6
70.34379	0.3
70.34730	0.2
70.99876	0.3
71.94108	0.2
72.08176	0.2
72.93793	100.0
73.02910	0.3
73.93829	0.4
74.94205	0.1
78.52950	0.3
82.01463	0.9
86.06080	0.4
88.02682	0.2
89.00835	0.1
90.53061	0.1
90.94833	20.4
96.08136	0.3
97.02907	0.1
98.97579	0.3
100.02494	1.8
100.94407	0.9
101.00896	0.6
102.02369	0.3
108.95864	1.3
111.00815	0.2
111.02923	0.6
113.00872	0.3
113.96413	6.7
114.02707	0.4
114.05522	1.0
114.09168	1.0
115.02454	0.2
115.03944	0.3
118.03513	0.4
119.01965	0.9
124.52995	0.1
131.01898	0.8
131.97450	2.6
132.05096	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1143.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05487	1.6
81.03426	3.0
83.04959	0.7
85.02908	11.8
87.04439	0.5
91.03939	0.8
91.05485	9.3
93.03392	0.7
95.04969	14.9
97.02897	4.3
99.04451	0.8
103.05473	1.6
105.04509	1.5
105.07024	1.4
107.04959	100.0
108.05289	1.2
109.02882	2.2
111.00816	4.7
111.04438	1.8
115.05469	1.6
117.07031	0.8
119.04945	60.3
120.05257	0.6
121.02869	8.2
121.06506	1.4
123.04433	41.6
124.04770	0.7
127.03916	4.2
128.06218	0.9
129.07024	0.5
131.04921	3.9
131.08586	0.7
133.06505	6.2
135.04427	2.5
137.02341	1.6
139.03906	42.2
140.04263	0.8
141.07010	1.4
143.04897	0.4
144.05638	0.4
145.04988	2.2
145.06491	5.9
147.04414	35.1
147.08066	1.2
149.02354	10.4
149.05968	3.3
151.03909	29.3
152.04214	0.4
152.06236	0.5
153.01839	0.4
153.05397	0.4
153.06935	0.7
155.03413	0.7
155.06071	0.7
157.06491	5.6
159.04443	1.0
159.08032	0.7
161.06010	5.6
163.03909	8.7
165.01791	0.7
165.05525	0.7
165.07013	0.9
167.03459	4.0
167.04840	0.7
169.06471	2.1
171.04393	5.0
171.05600	0.4
171.08086	1.0
173.02345	0.9
173.05957	2.4
175.03896	2.9
175.07544	0.6
177.01863	0.4
177.05476	1.7
179.03406	11.8
181.04985	1.0
181.06494	2.0
183.08070	1.1
185.05971	6.3
187.03902	2.8
187.07526	2.3
189.01834	0.6
189.05469	5.3
191.03413	7.3
191.07019	0.8
193.04926	2.7
193.06439	0.5
195.07957	0.6
197.06017	3.0
199.03897	0.6
199.07545	3.0
201.05482	2.9
203.01498	0.5
203.03400	7.5
203.07010	2.9
205.04991	1.8
209.06007	0.5
210.06795	0.5
211.07533	1.0
213.05478	8.4
215.03601	2.8
215.07019	9.7
216.04185	1.1
217.04951	2.1
221.04420	0.6
223.02325	1.1
223.07457	1.1
225.05418	1.8
226.06367	0.5
227.07013	3.3
229.05003	4.3
229.14935	0.4
231.06529	69.9
232.06926	1.7
233.04482	3.5
237.05278	0.8
239.07019	4.2
241.05019	3.1
241.08508	0.5
242.05702	1.7
243.02661	0.8
243.06535	18.7
244.03621	2.0
244.07343	1.7
245.04437	13.0
245.08081	12.7
251.07199	0.7
253.05048	1.1
255.06538	15.0
256.06976	0.6
257.04480	8.5
257.08072	30.6
258.05099	1.5
258.08228	0.6
259.06064	0.8
265.04895	0.8
267.06525	8.9
269.04456	4.5
269.08060	2.4
271.06024	3.6
273.07578	91.3
274.04688	3.2
274.07895	2.5
275.05496	4.6
275.09113	6.7
279.06476	2.3
281.04434	2.4
281.08026	1.6
283.05923	1.3
285.03986	2.7
285.07559	14.4
286.04758	0.5
287.05518	22.1
287.08954	1.7
288.05579	0.6
291.06619	0.5
293.07993	0.8
295.06061	2.4
297.03894	2.3
297.07565	4.6
299.05386	4.6
299.08566	0.6
301.09073	1.0
303.04941	1.3
305.08096	0.6
307.06262	2.1
307.09390	0.7
309.03922	1.6
309.07587	1.1
311.05472	1.0
313.07211	0.5
315.08575	2.1
317.07990	0.4
319.06082	0.7
321.07431	1.6
323.05463	1.2
323.08951	0.6
325.06961	0.6
331.09549	1.0
333.07510	0.7
335.09244	0.9
337.07083	0.7
339.04944	0.7
339.08618	1.9
345.07382	1.3
347.09186	2.0
349.06982	2.3
349.10690	1.9
351.04898	2.9
351.08691	0.8
359.09097	1.7
361.07016	1.4
361.10910	0.5
363.05087	0.6
363.08688	9.0
365.06299	0.7
367.08090	1.7
373.06845	1.8
373.10916	0.7
375.09930	1.2
377.05963	0.6
377.10300	7.3
379.08002	1.4
379.12119	0.7
380.08890	0.5
381.09714	1.5
385.07190	1.1
389.10251	0.7
391.08038	11.4
393.05688	2.4
393.09979	12.0
399.10709	1.3
401.10263	2.0
403.07791	4.0
403.12708	0.4
405.05127	0.7
405.10370	2.4
409.09222	17.3
411.10803	14.2
412.10941	0.5
417.11307	1.2
419.11331	6.3
421.08835	4.6
423.10974	2.8
433.09247	1.8
435.12991	3.9
437.14520	0.6
449.10678	0.5
451.10455	0.5
453.11929	0.5
485.12125	1.5
497.12692	0.6
499.13940	2.3
503.13333	3.1
509.12231	1.9
511.10309	1.2
527.13477	4.8
529.10626	1.8
535.12341	0.5
539.13538	0.7
541.16876	1.1
545.14441	11.3
546.14337	0.7
547.16187	5.5
553.13104	1.3
555.14899	0.8
557.13983	0.5
571.14124	0.8
573.15686	0.8
651.18762	0.5
665.16614	1.4
683.17365	0.9
691.15796	1.3
707.19574	0.4
827.21851	1.8
845.22510	0.7
1082.24854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1146.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03419	2.8
85.02907	3.1
86.09706	0.1
91.05479	53.2
92.05822	0.4
95.04970	2.6
97.02893	6.6
98.21404	0.1
99.00838	0.1
99.04448	1.1
101.02394	0.2
103.05488	0.6
105.04508	1.6
105.07018	0.2
107.04955	100.0
108.05281	1.1
109.02137	0.3
109.02879	4.6
115.03982	0.6
115.05457	2.1
117.07018	6.5
119.04922	1.0
127.03917	6.6
127.05409	0.2
129.07018	0.2
133.06511	1.1
137.05971	0.3
143.04929	1.1
145.04990	2.8
145.06494	15.1
146.06830	0.3
147.04433	0.2
147.08054	0.2
149.05972	0.2
155.06039	1.5
155.07191	0.2
157.06514	0.1
158.02280	0.1
161.05980	8.0
162.06407	0.1
171.04413	7.2
173.06036	0.1
179.07031	32.6
180.07372	0.6
181.05002	0.2
189.05466	11.4
190.05753	0.2
191.07065	0.2
199.07549	0.3
207.06529	6.2
208.06897	0.1
213.09149	0.7
215.07098	0.3
221.08102	0.4
223.07564	0.4
225.07574	15.4
226.07973	0.4
227.06966	0.1
231.06546	0.1
233.08083	1.1
243.10223	0.3
249.07568	0.8
249.09814	0.1
251.09306	0.1
263.09216	0.2
267.08661	1.9
269.07990	0.5
279.08499	0.6
287.09158	0.7
305.10199	4.5
306.10455	0.1
309.09644	0.3
315.08585	0.4
323.11362	1.0
324.11786	0.1
325.11530	0.1
333.09683	8.6
334.10028	0.2
336.63187	0.1
351.10748	12.7
352.10974	0.3
367.99475	0.1
369.11795	10.6
370.12073	0.4
421.12427	0.1
457.15018	0.2
458.16159	0.1
477.13837	0.2
485.17075	0.2
495.14883	0.4
513.16022	0.8
529.17914	0.2
531.17328	0.8
557.16266	0.5
575.17419	0.3
1145.56787	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87149	0.4
55.01847	0.5
55.37750	0.4
59.05008	4.6
63.02372	0.6
65.03944	2.5
69.03428	3.8
69.07055	0.8
70.06596	6.4
71.11228	0.9
71.11572	0.5
72.71410	0.4
72.93787	0.7
73.02921	1.1
73.93839	1.0
74.93833	2.6
77.52985	0.4
82.40434	0.5
87.04472	3.9
89.03928	7.3
89.42023	0.4
92.94842	0.8
97.02901	1.6
97.08464	0.5
101.40060	0.4
115.03990	11.9
115.05459	100.0
115.09491	0.9
116.05779	1.4
116.07086	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.398
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03415	12.4
82.03756	0.1
82.29128	0.1
83.01340	0.1
85.02901	1.2
91.05476	0.9
95.04965	3.1
97.02891	7.7
98.03249	0.1
99.04450	0.9
103.03941	0.1
105.03419	0.1
105.04513	1.5
105.07006	0.1
107.04954	100.0
108.05291	1.3
109.02875	58.6
110.03204	0.6
115.05448	0.1
117.07021	0.2
119.04930	0.3
119.45294	0.1
121.06445	0.1
127.03913	20.2
128.04231	0.2
131.50526	0.1
133.06502	0.2
137.05995	0.1
139.03897	3.1
142.37564	0.1
145.04950	0.8
145.06447	0.3
145.28596	0.1
147.04381	0.2
149.05923	0.1
151.03845	0.1
159.08116	0.1
161.05975	0.9
162.06334	0.1
169.04961	23.4
170.05286	0.3
171.04337	0.1
173.05997	0.2
179.07040	0.1
179.45001	0.1
187.05988	0.7
187.07553	0.3
189.05444	0.1
197.05971	0.2
205.07062	1.0
211.06007	3.2
213.09032	0.3
215.07018	0.3
229.07010	0.4
233.08086	0.1
247.08380	0.1
247.11566	0.1
271.08118	6.3
289.08917	0.1
315.08618	0.1
331.10226	10.9
332.10547	0.3
332.83682	0.1
411.34698	0.1
435.88553	0.1
495.14957	0.1
537.09149	0.1
537.16095	1.5
720.77716	0.1
765.41602	0.1
871.98383	0.1
900.74274	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	1154.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	8.3
83.01363	0.2
84.08157	0.1
85.02904	6.5
86.09673	0.1
91.05491	0.7
94.31050	0.1
95.04964	3.0
97.02892	11.0
98.03177	0.1
99.04450	2.3
102.04687	0.5
103.05466	31.3
104.05804	0.4
105.04508	1.5
107.04955	59.8
108.05294	0.4
109.02878	28.5
110.03232	0.4
115.03965	0.2
116.26527	0.1
127.03918	11.8
131.04929	100.0
132.05269	1.4
139.03906	1.1
144.08043	0.3
145.04956	1.6
149.05995	1.3
161.06021	0.4
168.32251	0.1
169.04955	4.6
187.06018	9.3
205.07066	4.9
205.08934	0.3
209.09669	0.4
213.09137	0.5
215.07080	0.4
229.07138	0.4
233.08076	0.2
247.08145	1.5
257.08060	0.7
275.09143	1.8
293.10178	3.0
317.10355	1.0
328.06226	0.1
335.11240	47.3
336.11649	1.1
441.15414	0.2
488.37149	0.2
497.16083	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	1165.341
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03423	0.4
83.01283	0.1
83.04936	0.1
84.08098	0.1
85.02904	1.9
91.05441	0.2
93.03364	0.1
94.04181	0.3
95.04922	0.1
97.02895	0.4
99.00764	0.1
99.04415	0.1
103.05422	0.2
105.03345	0.3
105.07056	0.3
107.01251	0.2
107.04965	0.4
109.02885	0.3
109.06488	0.1
111.04458	0.3
115.05468	0.3
117.06974	0.1
119.04935	0.1
120.08046	0.1
121.02865	7.1
121.03828	0.3
122.03729	0.4
123.00703	0.3
127.03915	0.4
128.06187	0.1
129.05511	0.4
131.04982	0.3
133.06487	0.4
135.04387	0.2
136.07507	0.1
137.02364	0.3
137.05978	3.4
141.01831	1.5
141.06934	0.2
143.04895	0.1
144.05621	0.1
145.02818	0.1
145.04976	0.1
145.06416	0.3
146.03568	0.1
147.04411	1.4
147.06302	0.1
149.02272	0.2
149.05980	0.1
151.03857	0.1
155.04892	0.1
157.06450	0.2
159.04375	0.1
159.07990	0.2
161.05975	1.4
163.03853	0.1
163.07536	0.2
165.01843	2.9
165.06946	0.2
167.03290	0.1
167.06969	0.1
169.06490	0.4
171.04405	0.3
173.05956	0.7
175.07518	0.2
177.01770	0.2
177.05446	0.1
177.06886	0.1
178.07736	0.2
179.03354	0.1
181.06461	0.2
182.58607	0.1
183.02898	1.5
183.04379	0.2
183.11943	0.1
184.05225	0.1
185.05925	0.1
187.05966	0.1
187.07527	1.2
187.11153	0.1
189.05412	0.1
189.07053	0.1
190.07759	0.1
191.08473	0.2
194.07205	0.2
197.05983	1.3
198.06691	0.1
199.07542	0.4
201.05463	0.7
202.07697	0.2
203.03357	0.1
203.08585	0.4
205.06589	0.1
206.07191	0.1
207.07976	0.1
208.08818	0.1
209.09608	0.1
211.07382	0.1
215.07010	0.4
219.06276	0.1
219.08067	0.4
220.08812	0.2
221.05925	0.2
221.09497	0.1
222.06688	0.2
223.07611	0.1
223.46172	0.1
225.05463	0.9
229.04953	0.9
231.08134	0.6
232.08784	0.1
233.05896	0.1
234.06732	0.3
235.07570	0.1
236.08238	0.1
237.09071	0.2
239.06969	0.1
243.06496	1.8
243.08946	0.1
245.09628	0.1
246.06673	0.1
247.07613	0.3
248.08284	0.4
249.09172	0.3
250.06256	0.1
251.07135	0.1
251.10609	0.1
252.07646	0.1
253.04965	0.2
253.08656	0.2
254.09239	0.1
259.07608	0.4
260.08350	0.3
261.09030	0.2
262.06061	0.1
263.07388	0.1
263.10669	0.3
264.07816	0.1
265.08603	0.5
267.06604	0.1
267.10214	0.1
269.04593	0.1
269.08081	0.1
271.05975	0.8
275.07053	0.1
276.07831	0.3
277.08591	2.6
278.09259	0.2
279.10193	0.6
281.07983	0.1
283.05927	0.1
283.09491	0.1
285.11288	0.1
287.05475	1.6
289.08722	0.1
291.10150	1.8
292.10815	0.1
295.06024	0.1
295.09595	0.1
295.13187	0.2
297.08066	0.1
297.11191	0.8
298.04510	0.1
299.05493	100.0
300.05817	2.8
301.07132	0.2
303.09955	0.1
305.08099	0.1
308.10419	0.2
309.11197	2.9
310.11942	0.1
311.05496	0.7
311.12750	0.5
313.06985	0.5
321.11264	0.2
323.05228	0.2
323.12790	3.3
324.13150	0.1
325.03342	0.2
325.06921	0.9
329.06583	0.1
333.11136	0.1
335.12711	0.3
337.07062	0.2
341.06528	1.6
342.06686	0.1
351.08435	0.1
353.06476	0.1
363.08133	0.1
365.06766	0.3
365.13599	0.1
379.08139	0.1
407.07608	0.5
419.15091	0.1
421.09302	0.1
423.10669	0.2
435.10913	0.1
457.12906	0.1
473.12463	0.5
485.12006	0.3
511.08496	0.3
529.09662	0.6
535.10736	0.2
547.10913	1.4
553.16833	0.1
571.17847	0.1
577.14520	0.1
607.15601	0.1
609.17554	5.5
610.17908	0.3
611.19128	0.6
620.50574	0.1
633.17889	0.1
635.18781	0.1
651.18347	0.1
675.19049	0.1
699.18164	0.1
717.20142	0.2
721.17157	0.3
733.17664	0.1
737.22131	0.1
755.23120	0.2
771.22552	0.2
803.19531	0.2
821.20740	0.8
839.21674	0.8
857.22870	8.2
858.22931	0.6
949.25415	0.1
985.27765	0.1
1019.28241	0.2
1165.35120	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1166.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03421	8.8
83.01366	0.2
85.02908	1.8
89.03922	0.2
91.05483	52.7
92.05800	0.8
95.04976	2.5
97.02898	5.3
98.21411	0.3
99.04481	1.4
103.05473	0.6
105.03383	1.1
105.04511	1.2
105.07038	2.8
107.04959	73.5
108.05304	0.9
109.02882	20.2
115.05450	6.5
117.07018	3.8
119.04947	1.2
127.03923	30.6
128.04260	0.3
133.06497	9.2
139.03961	0.5
143.04942	2.3
145.04955	0.5
145.06514	1.4
147.04427	0.3
153.07030	0.2
155.08623	0.3
157.06435	0.4
159.04482	0.3
161.05984	100.0
162.06340	1.4
162.07497	0.3
169.04973	8.0
171.04413	7.1
171.08069	0.5
172.05002	0.2
177.05507	0.3
179.07043	18.8
180.07309	0.4
180.08844	0.2
181.06473	0.2
183.08113	0.2
187.06013	1.3
189.05487	3.8
195.08112	0.4
199.07591	0.6
207.06534	0.7
209.06123	0.3
211.06015	0.8
221.08063	0.3
223.07596	0.6
225.09224	0.3
227.07138	0.3
229.07085	5.3
231.06543	0.3
239.06998	0.2
243.10210	0.3
249.07596	16.4
250.07916	0.3
251.07057	0.4
255.04391	0.2
269.08127	1.4
287.09155	10.4
288.09528	0.3
289.09213	3.3
297.07562	0.5
305.10211	1.5
315.08630	28.3
316.08893	0.8
333.09622	1.2
347.11227	1.3
357.09708	0.7
365.12286	0.7
375.10767	9.2
376.11191	0.4
407.13248	0.7
417.11716	0.3
431.13647	0.2
435.12897	2.0
477.13730	0.8
495.15012	14.0
496.15543	0.5
519.14746	0.5
639.19299	0.4
701.20825	4.3
702.20697	0.3
909.11566	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	1166.394
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03424	9.5
83.01367	0.3
85.02913	1.9
86.09712	0.2
89.03889	0.2
91.05486	51.3
92.05824	0.5
92.18111	0.2
95.04979	2.6
97.02898	5.3
99.04467	2.7
101.02385	0.6
103.03927	0.4
103.05479	0.3
105.03407	1.3
105.04510	1.3
105.07043	2.2
107.04961	89.7
108.05283	1.2
109.02884	22.0
110.03224	0.3
114.97203	0.2
115.05460	5.7
117.07022	3.6
119.03431	1.6
119.04909	1.1
125.02343	0.3
127.03925	34.5
128.04292	0.4
129.07019	0.3
131.04947	0.3
133.06505	9.4
137.06036	0.4
139.03935	0.5
141.05495	0.2
143.04926	2.0
143.08548	0.2
145.04979	1.5
145.06483	1.3
147.04424	0.6
148.73714	0.2
153.06963	0.4
155.08559	0.3
156.34898	0.2
157.06471	0.4
159.04430	0.2
161.05988	100.0
162.06332	1.6
162.07584	0.4
163.07509	0.2
167.08568	0.3
169.04976	10.3
171.04419	6.9
171.08032	0.3
173.04497	0.4
179.07043	18.3
181.06529	0.5
183.08043	0.3
187.06021	2.5
187.07494	0.2
189.05449	3.9
189.07040	0.3
195.08032	0.3
199.03770	0.2
199.07584	0.5
203.07112	0.2
204.20152	0.2
205.04987	0.3
207.06528	0.6
209.06076	0.4
211.05931	0.9
211.07732	0.2
213.09155	0.2
215.07140	0.4
217.08516	0.2
221.08177	0.2
223.07616	0.5
227.07114	0.3
229.07088	9.5
230.36469	0.2
231.06555	0.5
231.45724	0.2
233.08340	0.2
235.05861	0.2
239.06985	0.3
241.08524	0.2
243.10242	0.3
247.08105	0.2
249.07607	17.4
250.07825	0.3
251.07005	0.3
253.07025	0.2
257.08142	0.4
263.07788	0.3
269.08160	1.4
279.06415	0.3
285.07709	0.3
287.09167	10.2
289.09189	6.0
297.07596	0.3
305.10147	1.2
315.08636	29.4
316.09027	0.7
333.09631	1.6
347.11163	1.4
357.09689	0.8
365.12357	0.9
375.10770	8.8
393.11966	0.4
407.13251	0.7
409.11240	0.2
417.11618	0.2
435.12961	1.8
453.13849	0.5
477.14117	1.2
495.15030	14.4
496.15329	0.5
519.14777	0.7
567.92200	0.2
639.19397	0.4
701.20752	4.2
702.19641	0.3
887.29419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1166.394
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03424	9.5
83.01367	0.3
85.02913	1.9
86.09712	0.2
89.03889	0.2
91.05486	51.3
92.05824	0.5
92.18111	0.2
95.04979	2.6
97.02898	5.3
99.04467	2.7
101.02385	0.6
103.03927	0.4
103.05479	0.3
105.03407	1.3
105.04510	1.3
105.07043	2.2
107.04961	89.7
108.05283	1.2
109.02884	22.0
110.03224	0.3
114.97203	0.2
115.05460	5.7
117.07022	3.6
119.03431	1.6
119.04909	1.1
125.02343	0.3
127.03925	34.5
128.04292	0.4
129.07019	0.3
131.04947	0.3
133.06505	9.4
137.06036	0.4
139.03935	0.5
141.05495	0.2
143.04926	2.0
143.08548	0.2
145.04979	1.5
145.06483	1.3
147.04424	0.6
148.73714	0.2
153.06963	0.4
155.08559	0.3
156.34898	0.2
157.06471	0.4
159.04430	0.2
161.05988	100.0
162.06332	1.6
162.07584	0.4
163.07509	0.2
167.08568	0.3
169.04976	10.3
171.04419	6.9
171.08032	0.3
173.04497	0.4
179.07043	18.3
181.06529	0.5
183.08043	0.3
187.06021	2.5
187.07494	0.2
189.05449	3.9
189.07040	0.3
195.08032	0.3
199.03770	0.2
199.07584	0.5
203.07112	0.2
204.20152	0.2
205.04987	0.3
207.06528	0.6
209.06076	0.4
211.05931	0.9
211.07732	0.2
213.09155	0.2
215.07140	0.4
217.08516	0.2
221.08177	0.2
223.07616	0.5
227.07114	0.3
229.07088	9.5
230.36469	0.2
231.06555	0.5
231.45724	0.2
233.08340	0.2
235.05861	0.2
239.06985	0.3
241.08524	0.2
243.10242	0.3
247.08105	0.2
249.07607	17.4
250.07825	0.3
251.07005	0.3
253.07025	0.2
257.08142	0.4
263.07788	0.3
269.08160	1.4
279.06415	0.3
285.07709	0.3
287.09167	10.2
289.09189	6.0
297.07596	0.3
305.10147	1.2
315.08636	29.4
316.09027	0.7
333.09631	1.6
347.11163	1.4
357.09689	0.8
365.12357	0.9
375.10770	8.8
393.11966	0.4
407.13251	0.7
409.11240	0.2
417.11618	0.2
435.12961	1.8
453.13849	0.5
477.14117	1.2
495.15030	14.4
496.15329	0.5
519.14777	0.7
567.92200	0.2
639.19397	0.4
701.20752	4.2
702.19641	0.3
887.29419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	22.5
55.05508	12.3
56.11960	4.5
56.96577	32.1
57.03440	32.4
57.93580	10.0
58.06604	10.3
59.05019	5.2
59.07378	8.9
59.93110	12.8
61.02941	5.9
69.03428	100.0
70.06598	13.4
71.01396	6.0
71.04998	64.8
71.06931	41.1
71.95258	5.7
72.04513	17.6
72.08151	34.2
73.02916	26.2
74.09726	11.4
74.93833	31.1
75.93600	14.9
76.92963	8.0
76.93376	97.9
78.40109	4.2
79.05502	46.4
81.03410	6.3
81.07066	95.9
83.92289	4.0
89.03912	8.5
91.05484	46.5
92.94875	14.8
94.94422	43.7
95.04976	11.3
98.97598	42.9
99.04466	21.9
99.08092	10.5
105.04533	4.7
115.05463	62.2
116.98643	44.4
117.05485	21.6
117.06998	88.8
117.95989	14.0
118.06564	18.6
118.08656	21.1
118.96730	4.8
120.51404	5.6
134.99672	23.6
135.97005	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	1170.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	10.0
81.98652	0.1
83.01344	0.5
83.04984	0.2
85.02904	18.3
89.03892	0.2
91.05479	51.3
92.05813	0.5
95.04964	3.6
97.02892	6.7
98.21132	0.6
99.04452	4.3
99.72601	0.1
101.02385	0.3
103.05482	0.4
105.03387	0.4
105.04509	1.5
105.07021	0.8
107.04953	100.0
108.05289	1.0
109.02876	14.2
110.03187	0.1
111.04441	0.3
115.03932	0.9
115.05446	3.5
117.07015	4.3
119.04911	0.6
121.02900	0.2
123.04415	0.4
125.02360	0.5
127.03914	38.6
128.04228	0.4
129.07008	0.1
131.04918	0.2
133.06499	2.2
137.05957	0.2
139.03899	0.5
141.05428	0.2
141.07031	0.2
143.03470	0.1
143.03690	0.2
143.04903	2.3
143.08492	0.1
145.04967	7.9
145.06479	5.2
145.07617	0.3
147.04385	0.4
149.02341	0.2
151.03894	0.4
155.03278	0.2
155.05968	0.6
157.06488	0.3
161.05975	22.4
162.06316	0.4
163.03931	0.1
163.05969	0.2
165.05466	0.2
169.04970	3.9
169.06259	0.1
171.04405	8.6
171.08092	0.3
172.04759	0.2
173.04530	0.1
173.05948	0.2
175.03868	0.2
177.05504	0.2
179.07031	18.0
180.07330	0.3
181.04962	0.3
181.06412	0.2
185.04431	0.1
187.06012	15.0
188.06332	0.2
189.05473	3.6
190.05710	0.1
193.05026	0.3
195.08012	0.2
199.07487	0.6
203.07022	0.3
205.05000	0.4
205.07053	3.5
207.06509	1.7
211.05934	0.1
213.08968	0.2
215.07091	0.5
217.04994	0.7
217.08685	0.2
221.08072	1.6
223.05740	0.2
223.07674	0.3
225.07542	2.1
225.09506	0.1
231.06549	0.7
233.08047	1.5
235.05972	1.0
243.10167	0.2
245.08298	0.1
249.07542	1.8
251.09157	0.3
253.07059	1.0
263.09195	0.2
267.08591	1.2
269.08017	0.8
271.08044	0.9
285.11087	0.2
287.09161	2.3
289.09222	0.4
295.08093	0.3
305.10193	5.8
313.09055	0.7
315.08643	1.0
323.11252	3.9
331.10416	0.1
333.09692	2.4
341.12085	0.1
347.11295	1.4
351.06732	0.2
351.10742	2.3
357.09616	0.7
365.12320	3.4
369.11795	4.5
375.10733	2.8
383.13211	0.2
393.11792	7.1
394.12091	0.2
411.12854	8.0
413.12234	0.5
431.13303	1.4
435.12634	0.2
441.11780	0.6
449.14438	0.3
453.14151	0.9
459.12814	2.2
473.14249	0.2
477.13849	2.4
483.12851	0.1
491.15506	0.7
495.14981	0.7
501.14001	1.2
509.16440	0.3
519.14978	5.5
520.14856	0.2
537.16058	16.8
538.16254	0.6
553.15710	0.2
555.17108	16.0
556.17230	0.7
599.17346	0.1
625.19116	0.1
643.20477	0.4
657.15680	0.1
661.20355	0.2
663.19525	0.2
681.20093	0.2
699.21191	0.4
748.64166	0.1
761.22839	0.2
789.03900	0.1
798.34186	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1178.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
83.04985	2.3
84.08160	0.3
85.02905	25.9
86.47754	0.2
87.04463	0.5
91.05498	0.3
97.02880	1.6
99.04440	0.7
103.03951	0.2
107.04942	0.7
109.02863	0.5
110.07119	0.3
111.04447	1.4
119.04939	0.2
120.08098	0.2
127.03906	1.2
127.91783	0.2
129.05484	10.6
129.10164	0.2
131.04967	0.5
133.06506	0.2
137.05977	0.8
145.04985	0.7
146.08107	0.5
147.04376	0.2
147.05418	0.4
147.06529	4.5
151.03906	0.2
152.06187	0.6
152.08202	0.2
153.06956	0.3
161.05986	2.3
164.09204	2.6
165.07024	0.7
167.07037	0.8
167.08568	0.7
169.06441	0.5
180.08632	0.4
181.05038	0.3
181.06532	0.7
182.07341	0.2
183.08028	0.4
185.09610	0.4
194.07248	0.3
195.08080	3.1
196.08804	1.8
197.06020	0.9
197.09584	0.4
198.06729	0.3
199.07494	0.4
208.05324	0.3
209.05887	0.4
209.09688	0.5
210.06770	0.3
210.10362	0.2
211.07538	0.5
212.08330	2.9
213.09077	1.3
215.07173	0.3
223.07535	2.0
224.08295	2.2
225.05482	0.5
225.09111	1.1
226.06293	0.5
227.07156	1.6
227.10670	5.6
228.11121	0.2
237.09137	1.0
238.09885	0.8
239.07002	0.3
240.07829	2.0
241.08615	3.5
242.09381	10.3
243.06548	0.7
243.09886	0.3
245.11832	0.3
249.09517	0.3
253.08592	1.5
254.09352	0.5
255.10173	18.8
256.10522	0.7
257.07956	0.4
258.06430	0.4
258.08908	4.2
265.08502	0.7
266.09387	0.6
267.10196	0.5
269.08209	0.3
269.11765	0.6
270.08795	0.3
271.09683	1.8
272.10428	1.3
273.11221	100.0
274.11569	2.4
279.10236	0.6
280.10913	0.3
282.08786	0.5
283.09320	0.3
284.10400	2.1
285.11200	2.0
291.10312	0.3
293.08084	0.5
293.11765	0.6
295.09711	0.5
297.11209	3.8
307.09738	0.5
309.11441	1.4
311.12695	0.3
315.12277	4.8
321.11200	0.6
323.12769	0.4
325.10712	1.4
326.14465	0.6
327.12411	0.3
337.10696	0.3
337.14490	0.4
339.12311	3.9
351.12268	0.5
355.15149	0.2
363.85608	0.2
365.13840	4.3
381.13388	1.0
383.14899	4.6
399.14597	1.6
401.16003	3.0
416.14783	0.2
417.15277	0.3
419.17072	6.7
435.16623	2.0
789.61621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.01594	2.2
51.02394	9.2
51.08107	1.5
53.03951	85.9
55.01870	3.8
58.06606	3.1
59.07385	2.7
70.13039	6.3
72.08173	2.9
77.03937	22.0
81.03425	7.8
91.05486	22.0
95.04976	72.6
98.21367	2.3
105.04521	45.2
116.05798	7.7
117.07053	3.2
118.06557	100.0
118.07332	7.5
118.08670	3.9
119.06924	1.7
119.08598	6.9
129.74503	1.5
130.98486	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.86448	1.9
51.02378	11.1
53.03951	84.5
55.60883	1.9
56.65957	2.2
58.06588	3.7
59.07374	4.0
59.93106	3.0
62.99913	2.1
65.03933	3.4
69.61239	13.4
72.08151	10.6
76.93381	17.8
77.03932	24.5
78.42639	1.9
78.90234	2.2
79.05473	2.7
81.03425	7.9
88.69148	1.9
91.05483	26.8
94.94411	3.6
95.04973	73.0
98.21490	3.9
105.04521	45.4
117.07001	2.6
117.09960	2.0
117.95958	3.4
118.06548	100.0
118.08665	6.6
119.06785	3.0
119.08579	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	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	10.5
51.98505	2.2
53.03951	73.0
55.01872	5.0
55.05506	6.0
58.06591	6.6
59.07372	6.8
59.93092	4.9
62.65633	2.1
65.03931	6.1
70.06671	8.4
72.08158	27.0
76.93375	38.9
77.03935	16.7
81.03416	6.5
85.38743	1.8
89.03913	3.6
90.04709	3.3
91.05487	65.8
92.05808	4.2
94.94419	10.6
95.04977	57.9
98.20824	3.1
104.06277	3.4
105.04525	36.3
116.05816	7.1
117.05791	2.6
117.07020	8.5
117.95947	3.9
118.04211	3.4
118.06554	100.0
118.07320	7.2
118.08645	16.8
118.96773	2.7
119.04936	5.9
119.06850	2.5
119.08585	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02391	9.4
53.03951	71.4
55.01854	4.1
55.05504	3.7
57.13776	1.6
58.06596	7.0
59.07378	5.8
59.93100	5.1
62.07687	1.8
65.03931	2.5
69.52624	10.9
72.08147	12.4
76.93375	16.0
77.03928	17.5
81.03405	6.5
91.05482	44.6
91.06384	1.8
92.05811	1.9
92.44456	1.7
94.94405	7.0
95.04972	61.8
98.20857	3.9
103.05477	3.6
104.06256	2.5
105.04527	36.7
115.05467	2.1
116.05771	2.5
117.07025	11.3
117.95993	2.2
118.06551	100.0
118.08639	10.7
119.04936	3.9
119.06143	1.9
119.08581	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02377	7.8
53.03951	88.1
55.01861	3.4
55.05521	2.8
58.06588	2.5
59.07403	2.3
65.34001	1.6
69.67844	10.9
72.08167	12.1
76.93375	19.9
77.03932	14.9
81.03420	7.2
85.64906	2.2
86.09426	1.8
91.05480	24.5
94.94415	4.6
95.04977	71.4
98.20811	3.4
101.37122	1.9
103.05499	3.4
104.06282	2.0
105.04522	40.0
107.45676	1.9
111.91390	1.9
116.05782	3.3
117.07026	7.3
117.96008	3.3
118.06551	100.0
118.08671	6.5
119.04965	2.2
119.07803	1.8
119.08608	8.6
119.83653	2.2
130.23074	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02383	11.2
52.80665	1.7
53.03951	88.9
55.01870	5.0
55.05511	2.9
58.06604	4.1
59.07381	6.5
65.03955	3.0
68.99840	2.3
70.95691	5.0
72.08159	14.5
76.93378	10.6
77.03941	17.2
81.03413	8.6
91.05486	27.1
92.05832	3.2
94.94445	2.0
95.04974	73.0
105.04524	46.0
108.51247	1.9
116.05806	5.9
117.06975	2.7
117.70231	2.0
118.06559	100.0
118.07339	8.7
118.08647	17.5
119.08567	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	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	2.5
51.02377	9.3
53.03954	88.0
55.01881	4.4
55.05493	2.5
58.06595	8.0
59.07373	6.0
69.36900	20.4
72.08164	14.7
76.93361	6.0
77.03946	15.9
81.03426	7.0
91.05490	24.8
91.18958	2.6
92.05795	2.6
95.04977	70.1
98.20770	5.0
105.04523	40.5
116.05814	6.5
117.07011	4.4
117.96057	2.5
118.06557	100.0
118.08681	18.7
119.05093	2.5
119.06957	2.9
119.08589	9.3
127.55781	2.2
135.92813	2.2
137.45831	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
53.03938	2.2
53.07041	0.7
55.05514	1.3
58.06599	2.0
59.07377	1.6
59.93118	1.5
64.39580	0.7
65.03938	1.2
71.01619	1.4
72.08164	8.5
76.93376	19.3
91.05485	46.6
94.94406	4.6
95.04959	1.7
105.04521	0.9
117.05775	6.3
117.96001	2.1
118.06551	100.0
118.08662	4.5
119.06071	0.8
119.06873	1.7
135.97023	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0867
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03949	0.6
55.05514	19.4
56.05035	0.7
56.96570	4.2
57.03439	0.5
57.05822	1.3
58.06604	24.8
59.04999	0.8
59.07386	23.9
69.03430	1.4
69.87583	1.7
70.06588	1.0
72.08159	100.0
73.08501	0.7
76.07640	0.6
76.93369	0.7
78.52939	0.6
80.85711	0.3
82.01437	1.3
82.02418	0.4
83.00798	0.5
84.08166	0.5
85.02908	0.9
91.05479	1.3
94.54286	0.6
98.20808	0.7
98.97569	0.6
100.02464	2.2
100.54628	0.4
103.54765	0.5
106.05044	0.7
112.07597	1.5
113.01801	0.6
116.81389	0.4
116.98657	0.4
118.03522	0.4
118.08662	65.5
118.12281	0.9
119.01864	0.5
119.09052	0.6
133.03410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1188.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01342	0.5
85.02906	12.8
86.03253	0.2
89.03922	0.2
91.05482	49.2
92.05807	0.6
95.04974	3.1
97.02894	7.6
99.04455	5.7
102.81876	0.1
103.04010	0.1
103.05470	0.4
105.03381	0.3
105.04518	1.3
105.07023	0.6
107.04956	100.0
108.05283	1.3
109.02879	16.1
110.03200	0.1
115.03941	0.4
115.05455	3.3
115.06277	0.2
117.07018	5.0
119.04896	0.7
120.70863	0.1
122.12447	0.1
127.03918	40.2
128.04265	0.4
129.07063	0.1
133.06496	2.2
137.05975	0.1
139.03918	0.5
143.04919	2.4
145.04982	14.6
145.06490	6.3
146.05293	0.2
146.06743	0.1
147.04427	0.2
148.44997	0.1
155.03362	0.1
155.06012	0.8
161.05977	20.8
162.06339	0.3
169.04970	5.9
171.04408	11.9
172.04813	0.1
173.04520	0.1
179.07034	12.5
180.07368	0.2
181.06544	0.2
187.06018	12.6
188.06332	0.2
189.05470	4.4
199.07555	0.5
205.07092	4.4
207.06517	1.7
207.08328	0.1
213.09114	0.4
217.08620	0.1
221.08070	1.6
223.07690	0.2
225.07545	1.3
229.07161	0.1
231.06561	1.3
243.10191	0.1
249.07591	3.6
263.09198	0.1
267.08658	0.4
269.08173	0.6
275.67200	0.1
277.13391	0.1
287.09137	2.0
290.91800	0.1
297.07584	0.2
305.10184	5.4
309.09546	0.2
315.08618	1.2
333.09692	4.3
334.10181	0.1
347.11279	3.6
351.10742	2.1
357.09726	0.2
365.12390	0.8
375.10748	20.8
376.11060	0.8
393.11804	19.0
394.12137	0.6
411.12857	42.3
412.13339	1.3
517.16473	0.2
573.18140	0.2
617.18567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56142	2.8
67.05496	8.5
69.03437	24.2
71.31971	5.3
80.02949	4.9
80.06246	3.5
81.07043	2.8
82.01449	18.5
82.99842	6.4
88.76283	2.8
91.05483	7.5
93.07069	2.6
100.02502	26.6
101.00900	48.8
103.02433	9.1
104.50229	2.5
104.73504	2.7
107.05257	7.5
115.02491	4.2
116.05804	4.2
116.53791	2.4
118.03563	6.6
119.01932	100.0
121.03481	2.8
128.81285	2.6
128.91866	2.8
129.04028	3.7
137.02972	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03938	3.7
65.03946	6.3
71.05404	1.4
71.05737	1.7
77.03947	1.2
78.04673	1.1
79.05502	8.4
89.17902	1.0
91.05487	91.9
91.81584	0.9
93.07031	5.2
95.04959	3.8
103.05469	15.1
104.06258	14.0
105.04538	1.6
110.47429	1.0
115.05459	6.4
117.07023	20.2
119.08588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03953	3.9
54.04276	0.6
65.03941	6.6
69.93201	2.6
77.03930	1.0
77.53500	0.6
78.04729	1.1
79.05499	8.7
91.05487	100.0
92.05827	1.7
93.07063	5.4
95.04935	3.1
96.05337	0.5
102.04689	0.8
103.05475	10.0
104.06261	10.9
105.04504	1.7
109.06512	0.9
111.62741	0.6
115.05450	5.0
117.07025	21.3
119.04967	3.1
119.06051	1.4
119.08588	81.0
120.08108	1.3
120.08917	1.3
121.06490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02380	0.8
53.03952	3.9
53.21693	0.4
65.03944	4.8
67.05499	0.5
70.37229	1.3
73.01446	0.4
77.03941	1.2
78.04709	1.3
79.05503	7.3
84.45949	0.4
91.05487	100.0
92.05825	0.7
93.07053	5.7
95.04969	3.0
96.05334	0.5
103.05476	13.9
104.06257	11.7
105.04515	1.6
106.04865	0.4
109.06538	0.7
115.05450	7.2
115.06183	0.6
117.07024	35.8
119.04938	3.0
119.06097	1.1
119.08586	75.5
120.08117	0.7
120.08934	1.4
121.06417	0.4
131.06035	0.7
135.04251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1196.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01327	0.2
85.02903	3.7
91.05472	0.3
95.04967	2.3
97.02891	6.9
99.04448	1.5
102.04665	0.6
103.05464	30.2
104.05791	0.4
105.04507	1.1
107.04952	29.8
108.05276	0.2
109.02875	22.2
110.03204	0.2
111.04344	0.1
115.03935	0.1
127.03916	8.3
131.04922	100.0
131.26846	0.1
132.05243	1.3
139.03900	1.2
144.08107	0.1
145.04973	0.9
149.05989	0.9
161.06000	0.1
168.06546	0.1
169.04959	5.4
179.07056	0.1
187.06017	5.4
190.10986	0.1
195.08070	0.1
205.07091	0.2
209.09586	0.1
213.09207	0.3
215.06998	0.3
229.07048	1.3
233.08043	0.1
239.07025	0.1
247.08134	2.7
257.08051	0.8
275.09128	2.4
293.10120	0.8
317.10175	1.1
335.11227	58.1
336.11578	1.4
350.37204	0.1
377.12170	0.2
441.15698	0.3
471.84036	0.1
479.15674	0.1
497.16458	0.2
581.18439	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	120.0448
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
51.02382	0.4
53.03950	0.9
56.05042	1.6
65.03945	42.9
66.03469	0.2
66.04280	0.7
69.62406	0.5
69.62816	1.0
74.06087	2.2
78.93137	1.5
79.05501	0.6
84.04517	0.3
85.45705	0.2
91.05488	3.4
92.05012	100.0
93.05346	0.9
93.07052	3.4
95.04979	0.8
96.94180	0.4
100.80193	0.2
103.05475	12.1
105.04516	0.7
105.05803	0.2
105.07070	1.2
110.06056	3.2
118.06546	0.2
120.02134	0.8
120.04476	50.4
120.08115	13.9
120.08876	0.5
121.02904	0.7
121.04002	0.5
121.04803	0.6
121.06523	1.1
121.10127	0.8
128.45215	0.2
134.65948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
53.03950	4.7
56.05025	1.3
58.30544	0.5
62.79393	0.5
63.33055	0.5
64.89557	0.5
65.03937	2.7
69.48269	3.6
69.48692	1.2
70.51739	0.6
74.06088	1.5
77.03937	1.2
78.93130	1.3
79.05496	5.4
80.05022	0.9
90.84349	0.7
91.05490	15.6
92.05039	3.1
92.05810	8.6
93.07051	17.8
95.04977	4.8
102.04674	0.7
103.05476	89.2
104.05796	0.8
105.04500	2.7
105.06404	1.1
105.07045	17.7
106.07802	1.2
108.37215	0.5
110.59226	0.6
113.47792	0.6
118.06556	1.6
118.07356	1.7
119.07317	1.9
119.08591	2.2
120.04548	3.2
120.05660	2.6
120.08121	100.0
120.08897	7.3
121.02894	1.3
121.06509	3.9
121.08482	1.1
121.10149	9.3
123.08079	1.5
133.07669	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.0
51.47292	0.5
53.03953	4.6
55.01859	0.5
56.05044	0.8
65.01659	0.6
65.03943	6.1
69.23804	1.4
69.24216	4.3
74.06075	1.6
77.03938	1.5
78.04707	1.0
78.93134	0.9
79.05491	2.4
80.05002	0.9
91.05490	15.4
92.05011	2.5
92.05830	6.2
93.07059	17.3
95.04969	3.9
102.04673	1.1
103.05479	82.5
104.05783	1.3
105.04536	2.5
105.07042	1.9
110.06031	0.7
118.06540	1.9
118.07297	1.1
120.04481	2.4
120.08121	100.0
120.08846	3.8
121.02888	4.9
121.03965	1.3
121.06536	2.8
121.10165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.05416	0.7
65.03930	4.1
66.04271	0.7
67.56168	0.7
71.24384	1.3
71.95282	0.7
74.06089	1.0
77.03932	1.4
77.50331	0.7
78.93119	1.3
79.05492	2.0
80.05043	0.9
91.05482	12.9
92.05014	2.7
92.05807	5.9
93.07047	18.6
95.04978	3.7
102.04656	1.0
103.05472	87.6
103.71372	0.8
104.05833	1.8
105.04520	1.7
105.07064	2.2
110.06030	0.8
110.72372	0.7
118.06519	1.2
118.07325	1.3
119.07343	0.9
120.04498	2.9
120.05590	2.2
120.08112	100.0
120.08849	4.1
121.02903	1.2
121.04843	0.9
121.06496	2.0
121.08455	1.2
121.10227	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57438	0.9
53.03947	4.6
65.03927	1.1
69.48421	6.4
74.06062	1.6
77.03954	1.3
78.93107	1.4
79.05482	2.5
91.05488	10.8
92.04998	1.7
92.05807	5.6
93.07055	15.3
95.04984	4.6
98.21550	1.5
103.05474	88.6
104.05830	2.0
105.04549	2.4
105.07091	1.9
118.06564	1.2
118.07345	1.5
119.07402	1.4
119.08645	0.8
120.04465	1.7
120.08115	100.0
120.08876	5.7
121.08485	2.0
121.10128	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01561	1.3
53.03941	8.3
55.01871	2.9
55.05505	1.9
65.03944	75.6
70.78151	1.1
70.85342	3.5
77.03940	2.6
78.04716	1.7
79.05496	18.0
91.05486	29.8
92.05807	1.2
93.03412	11.7
93.04433	1.3
93.07046	21.8
95.04970	7.4
98.03654	2.3
100.88636	1.3
103.05464	10.3
104.05831	3.0
105.04485	3.2
105.07037	29.1
106.07841	3.0
107.06294	1.2
111.04447	10.7
113.77018	1.2
119.08572	6.1
121.02879	100.0
121.03983	24.7
121.06496	15.1
121.08434	3.3
121.10147	15.2
123.08079	2.1
133.07613	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03949	12.3
55.05518	11.0
60.96898	0.9
65.03950	12.9
65.61234	0.9
67.05508	49.1
70.82584	2.1
70.82910	1.2
77.03919	2.7
79.05495	100.0
80.05846	1.2
81.03429	1.3
81.07056	2.0
84.76000	1.0
90.71530	0.8
91.05486	26.0
92.05795	1.0
93.04528	2.3
93.07047	95.5
94.06548	1.4
94.07391	1.3
95.04977	11.9
103.05473	9.6
104.05793	1.2
105.04536	5.6
105.07030	24.1
111.04439	2.5
112.19975	1.2
116.89039	0.9
119.08597	3.6
121.02901	10.1
121.03989	7.6
121.06540	9.3
121.07629	1.7
121.08428	2.9
121.10146	43.6
122.06023	1.7
122.09653	3.1
123.08117	1.2
133.07542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.6
55.05516	10.8
65.03942	7.4
67.05511	42.9
69.36783	7.5
77.03931	1.4
78.05691	0.8
79.05499	93.6
81.03433	1.1
81.07035	1.2
85.72819	0.8
86.13606	0.9
91.05489	25.0
93.04508	1.7
93.07051	100.0
94.06589	1.1
95.04971	9.7
98.20757	1.7
103.05476	6.8
104.05842	1.1
105.04520	4.6
105.07041	17.7
106.07827	1.1
111.13250	1.0
119.08611	4.6
121.02895	3.7
121.03995	3.5
121.06561	4.7
121.07668	1.1
121.08466	1.4
121.10152	38.9
122.06050	2.2
122.09702	1.7
133.07616	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01595	0.8
51.02386	2.0
53.03948	12.1
55.05513	1.7
58.92382	0.8
65.03941	5.7
71.42816	1.1
77.03934	3.4
79.05496	39.7
81.03418	2.2
91.05486	22.6
91.05926	0.6
92.05790	1.3
93.06155	0.9
93.07049	23.9
95.04974	9.1
103.05474	22.7
104.05792	4.1
105.04532	5.7
105.07037	100.0
106.07903	6.0
107.04954	10.9
111.04477	1.2
119.08582	15.1
119.09369	1.2
120.05701	0.8
121.02898	5.2
121.03989	3.5
121.06525	18.0
121.08445	5.0
121.10148	50.3
122.07302	2.0
122.10496	0.8
123.08064	8.1
133.07611	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02368	2.5
53.00309	0.8
53.03947	11.0
54.00428	0.8
55.01869	1.6
55.05519	9.6
56.42329	0.8
57.15341	0.9
58.17398	0.8
65.03943	6.8
65.70477	0.8
67.05508	45.5
71.51073	1.0
77.03925	1.7
79.05497	98.7
80.05043	0.8
80.05821	1.6
80.06261	1.6
91.05485	26.9
92.05778	1.1
93.03396	1.1
93.07047	100.0
94.06525	0.9
94.07423	1.2
95.04978	10.1
103.05466	8.1
104.05833	1.0
105.04536	5.0
105.07036	24.2
106.07820	2.7
119.08578	5.7
121.02861	7.2
121.03965	3.5
121.06504	9.1
121.07612	2.0
121.10146	43.1
122.06029	3.1
122.09662	2.9
123.08186	1.1
133.07635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
52.89521	0.9
53.03955	11.1
55.01886	0.8
55.05267	1.1
55.05518	13.5
63.85194	0.8
65.03947	4.6
67.05511	43.8
69.25518	7.0
69.25928	1.6
77.03930	1.6
77.30882	0.9
79.05499	92.6
81.03409	1.4
81.07054	1.8
91.05491	23.5
93.04533	1.6
93.07050	100.0
95.04984	8.2
103.05478	6.2
105.04554	4.7
105.07039	23.8
106.07869	1.6
114.34093	0.8
119.08609	4.9
121.02873	4.1
121.04000	2.2
121.06534	4.8
121.10149	42.7
122.09697	1.5
122.10556	0.9
123.08059	2.0
133.07574	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02378	1.2
53.03952	13.9
55.05521	4.2
64.57167	0.8
65.03958	4.5
65.65092	0.9
67.05502	2.3
69.84029	5.0
72.63535	0.9
77.03542	0.8
77.03915	4.8
79.05498	59.8
80.06264	0.9
81.03428	1.1
81.07050	2.6
91.05486	43.4
92.05811	0.8
93.07049	67.9
94.07372	1.2
95.04977	14.0
98.20937	1.1
103.05476	23.6
104.05815	3.3
105.04535	7.2
105.07037	100.0
106.07858	7.2
108.38560	0.9
119.08590	15.2
120.05690	1.2
121.02848	3.8
121.03989	1.6
121.06527	3.6
121.08414	2.5
121.10148	59.6
123.08091	9.1
133.07613	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	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.2
53.03952	13.9
55.05521	4.2
64.57167	0.8
65.03958	4.5
65.65092	0.9
67.05502	2.3
69.84029	5.0
72.63535	0.9
77.03542	0.8
77.03915	4.8
79.05498	59.8
80.06264	0.9
81.03428	1.1
81.07050	2.6
91.05486	43.4
92.05811	0.8
93.07049	67.9
94.07372	1.2
95.04977	14.0
98.20937	1.1
103.05476	23.6
104.05815	3.3
105.04535	7.2
105.07037	100.0
106.07858	7.2
108.38560	0.9
119.08590	15.2
120.05690	1.2
121.02848	3.8
121.03989	1.6
121.06527	3.6
121.08414	2.5
121.10148	59.6
123.08091	9.1
133.07613	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.01572	0.6
51.02387	1.5
53.03949	8.9
55.01879	1.0
55.05523	0.6
59.18053	0.6
65.03940	2.7
67.05510	0.8
71.08337	1.1
77.03909	2.7
78.04715	0.6
79.05495	38.0
81.03400	1.1
81.07034	1.0
91.05489	17.8
93.07048	17.4
95.04964	7.8
95.73533	0.5
103.05468	20.5
103.77106	0.6
105.04546	4.2
105.07034	100.0
106.07850	6.8
107.04956	7.9
119.08588	16.3
120.05696	0.8
121.02875	2.2
121.03984	1.0
121.06512	12.0
121.10146	46.6
122.07253	2.5
123.08075	7.9
133.07628	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	2.6
51.52638	0.5
53.03719	0.9
53.03951	15.3
55.01863	2.0
55.05508	0.9
56.96539	0.9
65.03947	8.2
69.03420	0.7
71.50018	0.7
77.03915	2.7
78.04704	1.3
79.05496	39.2
80.04977	0.6
80.05795	0.7
81.03395	1.7
81.07047	0.6
83.00755	0.6
85.07050	0.7
91.05482	31.7
92.05815	0.9
93.03387	1.1
93.04517	1.3
93.07047	34.1
94.06544	0.8
94.07373	1.0
95.04980	11.9
96.04490	0.7
100.07365	0.6
103.05470	40.4
104.05779	3.5
105.04544	8.5
105.07031	100.0
106.07872	6.2
107.07372	0.8
109.58247	0.5
111.04451	1.0
119.07806	1.1
119.08582	12.5
119.09377	1.2
120.05714	1.3
121.02894	8.1
121.04018	4.1
121.04754	0.7
121.06513	27.9
121.08371	3.4
121.10145	51.7
122.06018	1.4
122.06844	0.7
122.09676	2.0
123.08073	8.5
133.07613	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02362	1.6
53.03754	1.1
53.03953	13.3
54.66917	0.9
55.01865	2.2
55.05507	10.4
56.96580	1.2
61.77044	1.1
65.03942	8.3
67.05513	26.2
67.05868	1.1
69.32554	2.4
69.32964	7.5
77.03918	2.3
79.05499	74.3
80.05844	1.0
80.06268	2.0
81.03406	1.9
81.07055	3.4
91.05488	37.0
92.05805	1.2
93.04556	2.1
93.07050	100.0
94.06562	1.3
94.07397	2.0
95.04970	14.0
98.21548	1.9
103.05476	12.2
104.05727	1.1
105.04520	6.2
105.07037	38.2
106.07819	4.2
111.04461	1.1
119.08573	8.3
121.02894	7.7
121.03991	6.5
121.06544	7.9
121.08436	1.4
121.10152	41.6
122.06086	2.5
122.07186	1.0
122.09673	4.1
122.10472	1.6
123.08078	2.5
127.97560	1.0
133.07613	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58064	0.9
51.02367	1.3
52.45839	0.9
53.03938	3.3
55.01871	2.0
56.96560	3.6
57.03436	1.5
58.99858	1.9
61.02916	1.5
67.05495	1.6
69.03432	4.5
69.82050	4.2
70.99849	2.4
77.00868	1.0
78.03460	8.6
78.52914	1.1
79.02177	1.5
80.05023	27.4
81.01917	1.7
81.03435	1.1
81.07070	1.0
82.01447	56.8
82.99844	2.7
83.01521	1.4
84.08138	0.9
88.02679	1.5
93.01864	1.0
95.04971	18.5
96.04501	8.7
97.02870	1.9
98.97566	3.5
99.34033	1.1
100.02487	100.0
101.00885	23.8
101.02548	2.0
102.02398	1.4
105.04521	1.7
106.02931	9.9
111.02937	1.4
111.53033	1.0
113.00876	2.3
115.02428	1.6
118.01141	1.1
118.03529	22.9
119.01928	35.8
123.04482	4.1
123.05556	55.6
124.02469	1.2
124.03953	17.6
124.05746	1.2
131.01904	3.1
133.03447	1.5
137.02956	5.2
142.03517	4.1
143.01888	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.8
51.73139	2.5
53.03947	10.9
55.01867	3.8
56.96555	8.2
57.03422	2.4
62.48330	2.1
67.05505	12.0
71.50706	2.7
77.03926	2.1
78.03452	4.6
78.06384	2.0
79.05511	4.6
80.05020	46.1
81.03398	3.6
81.07059	5.0
82.01446	28.2
82.99854	3.4
94.54284	2.6
95.04375	4.0
95.04975	81.9
95.08597	2.7
96.04514	15.7
98.97586	4.1
100.01868	3.6
100.02493	50.3
100.54224	2.2
101.00892	36.2
103.54792	2.2
105.04497	3.2
106.02899	4.2
111.36581	2.5
112.03998	2.0
112.07619	2.7
118.03551	13.5
119.01926	83.3
123.04446	19.4
123.05553	100.0
123.08051	5.3
123.09192	3.5
123.10016	9.2
124.03959	22.8
124.07572	3.0
134.58253	2.0
137.02927	16.5
140.03426	2.4
142.03549	4.4
144.34042	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01604	0.2
51.02377	1.1
53.03950	13.2
55.01868	1.0
55.05510	0.4
57.07080	0.3
58.73202	0.2
65.03944	0.7
67.05176	0.4
67.05509	4.8
70.69183	0.3
70.91481	0.5
77.03934	4.0
78.03461	0.3
79.05495	1.1
80.05023	3.7
81.03430	1.4
81.07062	4.9
82.01430	0.5
95.04973	100.0
95.08610	1.2
95.19760	0.3
96.04504	0.9
96.05308	0.9
100.02495	0.8
105.04520	7.2
105.07014	0.3
108.05743	0.3
112.03889	0.3
123.04445	19.2
123.05550	6.8
123.08067	2.2
123.11724	1.1
124.03992	1.2
124.04762	0.3
133.57372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62437	0.9
52.04214	0.9
53.03956	9.2
55.01865	2.8
56.96571	13.6
57.03446	1.5
58.99882	1.1
66.00468	0.9
66.46523	0.9
67.05507	5.5
69.03437	1.6
70.06609	1.4
70.89734	2.0
77.03932	2.6
78.03446	4.6
79.05505	3.1
80.05023	43.9
81.03412	2.5
81.07054	3.3
82.01453	20.2
82.99834	2.2
83.97634	1.2
94.54263	2.0
95.04978	54.1
95.08604	1.8
96.04496	13.6
98.97582	4.6
100.02489	42.2
101.00891	24.3
103.54809	1.8
105.03423	0.9
105.04517	6.0
106.02919	3.9
112.03956	1.5
112.07578	1.7
116.98653	1.1
118.03538	10.5
119.01930	53.4
123.04462	14.3
123.05559	100.0
123.08054	3.8
123.09174	3.0
123.09998	5.2
124.03955	11.7
124.07617	1.4
137.02975	10.6
140.10829	0.9
142.03523	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	123.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
56.96568	1.7
57.03428	0.4
61.02910	0.2
68.00304	0.2
68.05024	0.5
69.89425	0.4
69.89843	0.6
78.03459	4.1
80.05019	44.0
81.05360	0.6
82.01446	5.7
82.99837	1.2
83.00738	0.3
83.01516	0.3
91.00537	0.3
95.04984	1.4
95.06108	0.4
96.04495	10.5
98.97582	1.0
100.02489	10.0
101.00883	7.6
101.02587	0.2
105.04499	0.6
106.02925	3.2
109.00485	0.3
110.97572	0.2
116.98680	0.4
118.03532	2.2
119.01923	14.0
123.05556	100.0
124.02467	0.2
124.03959	3.0
124.05917	1.3
131.01871	0.2
137.02934	2.0
142.03494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03941	1.0
56.96568	1.7
57.03428	0.4
61.02910	0.2
68.00304	0.2
68.05024	0.5
69.89425	0.4
69.89843	0.6
78.03459	4.1
80.05019	44.0
81.05360	0.6
82.01446	5.7
82.99837	1.2
83.00738	0.3
83.01516	0.3
91.00537	0.3
95.04984	1.4
95.06108	0.4
96.04495	10.5
98.97582	1.0
100.02489	10.0
101.00883	7.6
101.02587	0.2
105.04499	0.6
106.02925	3.2
109.00485	0.3
110.97572	0.2
116.98680	0.4
118.03532	2.2
119.01923	14.0
123.05556	100.0
124.02467	0.2
124.03959	3.0
124.05917	1.3
131.01871	0.2
137.02934	2.0
142.03494	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02390	0.3
53.03945	1.0
56.96554	0.5
57.03442	0.5
58.99859	0.9
61.02918	0.6
68.05035	0.3
69.03426	1.0
70.25980	0.9
70.26335	0.6
70.99868	0.6
73.02913	0.5
77.00938	0.4
78.03454	14.2
78.52951	0.4
79.70012	0.3
80.05017	42.0
81.01917	0.3
81.03415	0.7
82.01446	16.6
82.99870	1.0
83.01529	0.6
83.52212	0.4
85.02920	0.5
86.52728	0.4
88.02721	0.8
89.00888	0.4
95.04980	1.3
96.04493	11.5
97.02886	0.7
98.97623	0.6
100.02483	34.5
101.00883	10.2
101.02555	0.5
102.02380	0.6
105.04526	0.7
106.02917	21.4
113.00868	0.6
118.01168	0.6
118.03525	10.1
119.01924	20.2
123.05552	100.0
124.02467	0.5
124.03947	3.9
124.05914	0.9
131.01909	1.6
131.45689	0.3
133.03441	0.4
137.02940	3.6
142.03500	1.9
143.01909	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02379	1.1
53.03756	0.9
53.03954	11.9
54.61485	0.9
55.01888	2.2
55.05515	22.8
56.71047	0.9
57.07055	1.4
63.36936	0.8
65.03946	5.6
67.05510	98.9
68.05026	1.0
68.05840	2.0
69.03435	1.6
69.07057	2.0
70.48613	2.6
71.57606	1.1
77.03925	2.7
78.03454	1.1
79.05499	13.8
80.05020	14.2
80.06277	1.5
81.03410	3.2
81.07064	41.9
81.36420	1.0
82.01456	1.1
82.07339	1.2
91.05483	4.6
91.87731	0.8
93.07050	18.6
95.04976	43.7
95.08613	100.0
96.04501	3.2
96.08169	1.3
96.08927	1.8
98.83606	0.9
100.02507	1.6
103.05432	1.5
105.04516	3.5
105.07027	9.0
107.04963	3.3
108.05745	25.1
110.38895	1.2
121.06517	3.0
123.04459	8.6
123.05558	26.3
123.08076	57.4
123.11700	10.6
124.03994	5.0
124.07572	1.5
124.08417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02369	1.3
53.03948	14.1
55.01865	1.6
55.05514	20.2
57.07083	1.7
60.62648	0.7
63.45683	0.8
65.03947	3.6
67.05508	84.0
68.05854	1.0
68.32126	0.8
69.03466	0.8
69.07067	1.5
70.56046	1.7
70.56419	1.4
77.03907	1.9
78.03458	3.1
79.05496	14.7
80.05023	28.9
80.06273	2.0
80.15837	0.7
81.03413	9.2
81.07063	42.9
82.01453	3.1
83.04971	0.9
91.05486	5.6
93.07051	15.8
95.04977	94.7
95.08612	58.6
96.04499	11.1
96.05168	1.0
100.02497	7.2
105.04518	4.6
105.07046	3.8
106.02917	2.6
107.04952	2.3
108.05740	9.0
112.03990	1.8
118.03522	2.5
119.01909	1.6
121.06506	1.3
123.04451	15.8
123.05560	64.0
123.08072	100.0
123.11683	7.1
124.03966	13.7
124.07600	0.9
124.08438	1.6
127.21875	0.7
142.09930	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	123.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.3
53.03948	14.1
55.01865	1.6
55.05514	20.2
57.07083	1.7
60.62648	0.7
63.45683	0.8
65.03947	3.6
67.05508	84.0
68.05854	1.0
68.32126	0.8
69.03466	0.8
69.07067	1.5
70.56046	1.7
70.56419	1.4
77.03907	1.9
78.03458	3.1
79.05496	14.7
80.05023	28.9
80.06273	2.0
80.15837	0.7
81.03413	9.2
81.07063	42.9
82.01453	3.1
83.04971	0.9
91.05486	5.6
93.07051	15.8
95.04977	94.7
95.08612	58.6
96.04499	11.1
96.05168	1.0
100.02497	7.2
105.04518	4.6
105.07046	3.8
106.02917	2.6
107.04952	2.3
108.05740	9.0
112.03990	1.8
118.03522	2.5
119.01909	1.6
121.06506	1.3
123.04451	15.8
123.05560	64.0
123.08072	100.0
123.11683	7.1
124.03966	13.7
124.07600	0.9
124.08438	1.6
127.21875	0.7
142.09930	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.7
53.03953	15.4
55.01869	2.2
55.05518	9.0
57.07077	4.8
62.23637	1.0
65.03955	3.7
67.05511	35.4
68.05049	0.8
69.07067	2.7
70.45829	0.7
70.46167	2.1
74.65391	0.8
77.03930	2.7
78.03461	3.1
79.05499	18.6
80.05023	35.2
81.03420	3.0
81.07062	98.6
82.01456	4.1
88.41808	0.6
91.05483	1.9
93.07052	6.0
95.04976	100.0
95.08611	26.9
96.04506	12.6
96.05164	1.1
96.12801	0.7
100.02495	9.9
105.03384	1.0
105.04529	7.1
105.07040	3.7
106.02932	2.0
108.05753	7.1
108.09414	1.0
112.03333	0.7
112.03930	4.0
118.03520	3.9
119.01953	2.3
121.06531	1.2
121.10144	1.5
123.04455	20.8
123.05560	69.0
123.08075	36.6
123.09094	1.9
123.11712	21.3
124.03960	18.5
124.04852	1.6
124.05888	1.2
124.07594	1.9
126.30732	0.7
140.03345	1.4
140.25581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.7
55.01889	1.3
55.05517	4.7
55.49800	0.5
57.07086	5.1
65.03944	1.6
67.05510	17.1
69.07071	2.4
69.73184	3.3
77.03930	1.1
78.03458	3.0
79.05495	17.3
80.05021	19.7
81.03423	0.7
81.07061	100.0
82.01456	1.1
91.05506	0.7
93.07058	2.3
94.07823	1.2
95.04975	24.5
95.08612	16.1
96.04497	8.2
98.21169	1.8
100.02486	5.6
105.03349	0.6
105.04534	1.5
105.07000	0.9
106.02898	1.1
108.05722	1.7
108.09404	0.7
112.03947	1.4
115.95782	0.5
118.03510	1.3
121.10181	1.3
123.04459	6.9
123.05556	44.0
123.08061	8.7
123.09054	1.2
123.11713	23.3
124.03974	11.1
124.07584	1.3
140.26512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.6
51.02384	0.8
53.03950	10.2
55.01866	1.9
55.05516	6.3
57.07086	3.3
65.03945	2.4
67.05508	18.6
68.05036	0.9
69.03443	0.7
69.07059	3.0
69.20453	3.6
69.20876	1.9
77.03928	1.9
78.03458	2.5
79.05495	18.9
80.05022	25.1
81.03433	1.7
81.07059	100.0
82.01443	2.0
82.07397	1.1
93.07044	2.8
94.07854	1.2
95.04974	50.4
95.08613	17.9
96.04497	10.0
96.05177	0.8
100.02489	6.5
105.04539	3.9
105.07048	2.1
106.02909	1.0
108.05742	4.0
108.09360	1.1
112.03982	1.9
118.03507	2.7
119.01899	1.0
121.10188	0.7
123.04446	13.2
123.05553	51.8
123.08069	15.0
123.09093	1.4
123.11710	18.7
124.03965	15.3
124.05882	0.8
124.07566	1.4
124.12121	0.6
140.03429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06983	0.2
55.65610	0.3
67.72652	0.2
70.71296	0.5
70.71622	0.3
78.58609	0.2
82.01456	0.7
82.99850	7.3
83.01498	1.2
86.25121	0.2
100.02492	1.1
101.00892	57.4
101.02557	1.6
102.00993	0.9
111.00474	0.6
111.13570	0.2
118.03516	0.4
119.01931	100.0
120.02004	1.6
121.02345	0.5
124.02485	0.9
137.02969	15.5
138.03069	0.3
142.03508	5.2
143.03818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
54.61059	0.2
56.49792	0.3
58.99871	1.1
70.99860	2.4
71.10890	0.3
71.11250	0.5
77.00911	0.3
78.03450	0.4
79.03791	0.2
80.05027	1.5
81.05353	0.8
82.01449	1.0
82.99843	6.5
83.01501	1.6
84.01188	0.4
89.00889	0.9
96.04477	0.8
97.04805	0.4
100.02489	1.6
101.00887	51.8
101.02546	3.2
102.00980	0.9
102.02239	0.9
107.03258	0.6
111.00436	0.4
118.03542	0.6
119.01926	100.0
120.02016	2.3
124.02456	0.9
124.03958	6.1
124.05930	2.4
124.07573	0.6
133.03477	0.4
134.71469	0.2
137.02962	16.8
138.03084	0.4
142.03511	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.4
66.54756	0.3
69.87966	0.5
69.88349	1.2
70.99851	0.9
80.04996	0.3
80.28783	0.3
80.55949	0.3
82.01450	0.9
82.99848	7.7
83.01528	0.9
100.02502	1.0
101.00890	58.5
101.02586	1.7
102.00949	1.4
102.02258	0.4
111.00443	0.5
119.01929	100.0
120.02013	2.6
124.02473	0.9
124.03979	0.8
137.02969	15.2
138.03030	0.4
142.03517	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	127.0393
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
52.36262	0.3
53.03952	5.9
54.52847	0.3
55.01870	1.8
56.96574	0.7
57.03444	0.4
59.72266	0.3
67.01876	0.4
69.03428	1.1
70.79850	0.6
71.04993	1.2
74.55328	0.3
79.05508	0.3
80.74884	0.3
81.03428	13.2
81.07085	0.5
84.04506	0.5
93.31783	0.3
95.56714	0.3
97.02956	0.5
99.04474	0.8
109.02891	19.2
110.02414	1.2
110.03166	0.4
123.07922	0.5
127.03932	100.0
128.04256	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
53.03954	49.7
55.01889	8.2
56.94014	1.4
57.03445	11.3
58.13885	1.5
67.01863	2.1
68.40807	1.2
69.03429	5.0
71.01351	4.0
71.05003	32.8
80.64117	1.3
81.03429	81.1
83.01353	17.1
85.02913	7.5
97.02902	28.7
99.04468	18.8
102.67273	1.3
106.22398	1.3
109.02892	34.3
127.03935	100.0
128.04327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	Phloroglucinol
Peak:m/z	Relative Intensity
53.00324	9.3
53.03950	65.9
55.01871	10.4
57.03432	10.2
65.03931	2.8
67.01872	7.6
67.71729	1.3
68.99783	4.4
69.03416	5.4
69.60722	6.7
71.01346	2.2
71.04997	25.8
75.33147	1.5
81.03421	83.6
83.01345	14.3
84.13634	1.5
85.02916	10.0
88.12975	1.4
97.02894	5.4
98.03635	2.4
99.04459	30.5
109.02892	27.5
118.11816	1.5
127.03925	100.0
128.04237	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0392
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03949	3.6
55.01873	2.1
55.48569	0.3
57.03438	0.4
63.37885	0.2
67.01860	0.5
68.99802	0.3
69.03438	0.3
69.59255	1.0
69.59665	0.5
71.04985	1.1
77.64134	0.3
80.27439	0.2
81.03423	6.2
81.07056	0.5
84.08140	0.2
85.02885	0.3
85.83218	0.3
91.36194	0.2
97.02929	0.3
98.21469	0.3
99.04469	0.5
109.02887	10.7
109.06569	0.2
110.02377	0.3
126.03193	0.3
127.03925	100.0
127.13143	1.0
128.04248	1.6
133.93352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0504
Annotation	Thymine
Peak:m/z	Relative Intensity
53.03948	6.1
54.03472	7.1
55.01871	3.2
56.05037	7.0
57.03429	0.7
65.34887	0.4
67.93559	0.6
69.03423	0.9
70.10081	0.8
70.10473	0.9
71.04992	2.5
81.03416	12.0
81.04549	2.4
81.07043	0.7
82.02946	9.3
82.06602	0.6
84.04506	22.9
90.33042	0.5
99.04456	1.9
100.41814	0.4
109.02880	19.4
109.04008	19.5
110.02403	70.4
111.02747	0.9
118.55804	0.4
123.07911	0.5
127.03930	78.2
127.05036	100.0
127.13108	1.5
128.04224	1.0
128.05321	0.6
128.07019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02417	0.9
53.03952	13.1
55.01874	9.8
55.05510	3.8
56.05024	0.8
57.03440	2.6
58.06602	2.3
59.06110	1.4
67.05511	7.8
69.03450	2.0
69.07085	8.9
69.86609	1.8
69.87012	2.8
70.06586	2.5
71.05003	12.4
79.05480	1.4
81.03425	24.3
81.04525	1.4
81.07069	4.9
82.06590	4.9
83.08605	2.6
84.04558	1.1
84.08140	1.6
85.02874	0.9
85.05162	3.3
86.06078	1.2
97.02891	1.0
98.03767	0.7
99.04448	5.2
99.08164	1.1
100.07655	1.0
104.20109	0.9
109.02897	22.3
109.10170	10.4
110.02419	3.7
111.09211	5.5
127.03933	100.0
127.04970	5.2
127.07352	3.0
127.13113	1.3
128.04222	1.9
128.06282	1.5
128.07097	3.2
134.86652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
56.05040	1.8
56.67213	0.9
56.83642	1.0
57.07079	85.1
69.03428	10.3
69.07082	1.2
70.65729	3.3
72.08143	1.1
74.09722	56.5
75.13993	1.0
80.64653	1.0
84.04514	11.7
84.08144	15.2
90.64982	1.0
91.25597	0.9
102.03801	2.2
103.05468	11.0
112.07607	23.3
112.41644	1.1
130.06557	7.5
130.08618	6.8
130.15924	100.0
131.04941	1.5
131.16312	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
52.76920	0.2
53.03949	6.0
55.01867	0.4
56.96571	0.2
67.11469	0.2
70.56432	0.5
70.56805	0.5
71.65160	0.2
77.03922	1.6
81.03413	0.6
82.65800	0.2
82.81738	0.2
85.04858	0.4
85.08472	0.7
85.14095	0.2
86.09695	0.6
91.05487	4.0
95.04974	4.8
102.04669	1.5
103.05470	100.0
104.05795	1.8
105.04515	3.0
113.07924	0.3
113.61497	0.2
115.05457	0.4
116.06228	1.2
129.06995	0.5
131.04930	13.7
131.08543	3.8
132.05223	0.3
144.08105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10809	0.1
51.02381	0.4
53.03949	3.6
61.33829	0.1
61.80289	0.2
64.85638	0.1
69.03437	0.2
70.03776	0.3
70.39233	0.3
70.39616	0.3
77.03925	1.2
81.03413	0.4
85.08459	0.4
86.09698	0.3
91.05492	3.0
95.04965	3.7
95.17321	0.2
102.04674	1.2
103.05470	100.0
104.05800	2.1
105.04509	2.0
113.07957	0.9
115.05466	0.4
116.06242	1.1
124.82121	0.2
129.07030	0.6
131.04930	9.8
131.08566	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	0.3
50.43691	0.2
51.02382	0.9
53.03711	0.5
53.03951	5.7
55.01886	0.3
55.90995	0.2
56.76944	0.3
69.29971	0.7
69.30376	1.6
72.97011	0.2
77.03941	1.6
81.03412	0.5
82.33979	0.2
84.83507	0.2
85.08459	0.3
90.13707	0.2
91.05500	1.4
91.78899	0.2
95.04981	5.2
98.21547	0.6
101.03260	0.3
102.04698	1.9
103.05476	100.0
104.05818	1.9
105.04514	2.7
106.25475	0.3
108.98652	0.2
113.07964	0.3
116.06251	0.4
129.06982	0.3
131.04941	14.3
131.08553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03954	4.0
55.99054	0.2
57.03449	0.3
67.04184	0.2
69.03448	0.2
70.03766	0.3
70.14187	0.9
72.08162	0.3
77.03918	1.0
81.03424	0.4
85.02909	0.4
85.04845	0.4
85.08476	0.6
85.66277	0.2
86.09707	1.1
91.05491	2.5
95.04973	3.9
102.04685	1.0
103.05474	100.0
104.05805	2.1
105.04522	1.7
113.07945	1.5
116.06262	0.8
129.07040	0.3
131.04939	10.4
131.06934	0.4
131.08548	1.9
131.16273	0.7
132.27896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.6
53.03949	4.3
54.99921	0.1
55.01869	0.2
60.20658	0.1
70.03766	0.2
70.89256	0.2
70.89586	0.2
77.03931	1.5
81.03421	0.5
85.04864	0.1
85.08487	0.3
91.05489	1.3
95.04969	3.8
96.05285	0.1
102.04694	1.1
103.05470	100.0
104.05791	2.1
105.04510	2.1
113.07950	0.4
115.05509	0.1
116.06244	0.4
119.99832	0.1
129.07036	0.3
131.04930	10.9
131.08557	1.2
132.05281	0.3
137.76622	0.1
144.37868	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.5
53.03711	0.2
53.03952	3.2
55.01864	0.3
62.87957	0.1
67.20084	0.1
68.49162	0.1
70.59894	0.3
77.03932	1.4
81.03416	0.4
85.08470	0.2
86.09710	0.2
91.05495	0.7
95.04971	3.7
98.21137	0.3
102.04693	1.4
103.05474	100.0
104.05800	2.0
105.04517	2.0
107.07858	0.1
113.07921	0.1
116.06261	0.3
131.04938	10.6
131.08575	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03950	5.6
56.96572	0.5
59.98001	0.3
69.03440	0.6
70.03762	0.5
71.51337	0.4
72.08143	0.3
77.03939	1.1
79.87154	0.3
80.71513	0.3
81.03427	0.5
84.04526	0.5
84.08133	0.8
85.04333	0.3
85.04833	2.2
85.08491	2.9
86.09705	1.2
90.90391	0.5
91.05487	7.7
93.81750	0.3
95.04970	5.0
102.04701	1.4
102.97763	0.3
103.05474	100.0
104.05800	1.8
105.04516	3.1
113.07932	1.7
115.05438	0.8
116.06251	2.4
118.06544	0.3
129.07005	1.2
131.04939	12.1
131.05969	0.6
131.06897	1.2
131.08553	6.0
144.08105	0.7
147.25192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.2
51.02383	0.5
53.03949	3.6
55.01879	0.3
57.03418	0.2
68.66418	0.1
68.69440	0.2
69.03438	0.4
70.03766	0.7
70.75433	0.2
70.75773	0.3
71.93002	0.2
77.03935	1.1
81.03437	0.4
84.08129	0.2
85.02901	0.3
85.04832	0.3
85.08482	0.6
91.05489	1.0
95.04965	3.4
95.08595	0.1
102.04108	0.2
102.04678	1.1
103.05470	100.0
104.05804	1.8
105.04518	2.0
113.07227	0.1
113.07951	2.3
116.06271	0.3
117.92453	0.1
129.07005	0.2
131.04938	9.7
131.08778	0.5
132.05252	0.2
134.99020	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.7
53.03951	5.0
55.01863	0.4
57.03436	0.4
61.01965	0.3
65.03942	0.8
65.61832	0.4
66.60457	0.3
68.44704	0.3
69.03413	0.5
70.03765	0.3
70.82597	0.5
70.82913	0.5
72.83064	0.3
74.45928	0.3
77.03948	1.0
81.03407	0.6
85.04839	0.8
85.08482	1.9
86.09715	1.2
91.05486	55.2
92.05821	0.9
95.04974	3.9
102.04703	1.3
103.05473	100.0
104.05819	2.2
105.04517	2.7
105.07095	0.4
105.48143	0.3
113.07930	1.3
115.05457	3.2
116.06250	13.8
128.06241	1.1
129.07018	8.5
131.04938	11.8
131.06941	1.1
131.08572	43.0
132.08865	1.1
133.06502	0.4
133.28488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
54.11781	0.4
65.03956	1.0
75.55705	0.5
85.04842	0.6
85.08474	0.5
91.05487	100.0
92.05827	1.7
98.20712	0.9
103.05477	9.9
105.07060	0.8
113.07960	0.7
115.05468	5.9
116.06253	23.4
128.06253	1.5
129.07014	14.4
130.07368	0.7
131.04915	1.2
131.08575	83.4
132.08026	0.6
132.08942	1.9
134.80359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	L-Isoleucine
Peak:m/z	Relative Intensity
56.96566	2.9
58.06605	3.8
59.07407	1.5
60.95842	1.3
61.01148	0.7
69.03471	0.7
69.07069	7.1
69.46342	4.0
72.04498	1.0
72.05642	1.1
72.18720	0.6
86.09708	100.0
87.02705	0.8
90.90384	11.6
98.21604	0.7
98.97600	1.8
100.57497	0.7
131.93024	1.2
132.08606	0.8
132.10219	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	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
50.02021	0.6
60.12649	0.4
60.81043	0.5
69.07072	2.7
71.00405	1.0
78.78796	0.5
81.98832	0.6
86.09711	100.0
87.10039	1.1
90.90382	1.2
118.92191	0.5
123.07845	0.5
132.10201	1.5
147.19664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60118	1.3
51.02371	1.5
51.89751	1.2
53.03951	7.3
54.03482	3.2
55.01872	7.2
55.04246	4.7
55.05533	1.2
55.93532	1.4
56.96570	100.0
57.03428	5.7
60.95854	14.9
61.01155	2.4
61.02924	1.4
66.20139	1.3
69.03419	6.8
69.58181	10.4
70.02959	1.3
70.06590	2.2
70.95873	11.8
70.98112	3.4
71.01366	1.8
71.04986	6.4
71.95247	1.5
72.93794	45.8
73.02916	7.4
74.00297	1.5
74.02445	9.0
75.01038	3.7
77.03928	3.2
78.52985	1.6
79.05485	3.7
79.72788	1.6
81.01041	2.0
81.03407	2.9
81.04539	15.9
82.05319	9.7
82.96227	2.1
83.00742	1.4
83.05020	1.5
84.01604	2.1
84.96039	5.1
85.01122	3.1
85.02905	5.5
86.09723	9.1
87.01020	1.6
87.02667	3.6
87.04479	2.9
87.10038	30.0
88.03982	2.8
88.96917	2.7
89.00790	2.6
90.01565	1.5
90.90391	10.7
90.94837	18.3
91.05468	5.1
91.90413	24.4
91.96745	2.0
92.90083	37.9
94.01788	1.5
94.47021	6.5
95.00764	2.9
95.04967	2.7
96.01554	4.9
97.02895	6.1
97.99201	3.4
98.06070	1.5
98.21494	2.7
98.97585	8.9
99.04466	4.8
100.00965	2.1
100.02473	3.4
101.00768	7.1
102.96873	8.8
102.97603	1.9
103.02195	1.3
103.05493	1.5
103.47533	25.2
104.01290	3.2
105.02109	1.6
105.03394	3.9
105.07030	13.0
106.06553	3.1
108.01521	2.7
109.02882	3.3
109.52110	1.7
110.01306	10.1
110.91090	2.5
110.96802	2.9
110.97568	2.5
111.37955	1.3
111.98157	1.6
112.01008	1.8
112.02192	36.5
112.48064	14.1
113.03001	18.8
113.96359	7.2
114.96892	1.8
116.98663	3.0
119.01805	3.8
119.97336	7.1
120.97928	2.1
121.01445	2.2
121.48563	1.6
122.51656	2.7
123.07937	51.2
124.05492	1.9
124.08261	1.9
125.02966	3.1
126.03727	4.6
127.03915	2.4
128.02364	1.6
128.97859	4.7
128.98685	2.2
131.97470	1.8
132.95828	28.6
132.97923	2.3
133.02870	5.3
133.06615	3.7
133.07616	8.1
133.10176	3.5
133.92690	3.2
134.06061	6.5
134.07013	2.1
134.09631	1.9
137.98386	4.9
140.98596	11.7
143.04039	1.8
144.04779	12.0
150.96892	33.4
151.93753	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	133.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	2.6
51.02382	10.8
53.03950	18.2
54.03465	3.9
55.01876	10.5
55.04245	4.7
55.93515	2.1
56.05047	2.1
56.51542	1.3
56.64132	1.7
56.96571	62.9
57.03426	1.7
59.04983	1.7
60.95844	4.6
61.01155	3.3
61.01479	1.7
61.02916	2.2
65.03947	1.8
67.05512	3.7
69.03436	7.8
69.67969	7.8
70.02952	2.5
70.06580	4.7
70.07337	1.3
70.95866	15.3
71.01344	1.9
71.04982	5.7
71.95281	1.5
72.00368	2.0
72.93794	48.8
73.02910	6.3
73.95685	1.4
74.02442	8.4
77.03938	45.4
79.01815	1.9
79.05504	17.0
81.03400	3.7
81.04546	16.5
82.05319	5.9
82.96244	2.2
83.01327	3.0
84.08176	1.5
84.96077	1.6
85.01112	3.4
85.02921	1.9
86.09710	2.8
87.00839	1.9
87.02670	3.5
87.04472	5.0
87.10049	19.4
88.96918	4.1
89.00767	1.8
89.02542	1.3
90.01596	1.8
90.90385	5.0
90.94831	26.5
91.05499	14.8
91.90417	6.3
91.96739	5.1
92.90086	13.5
93.07033	2.3
94.47009	3.1
95.04978	15.9
96.01550	3.8
97.02892	4.2
97.99169	2.3
98.97599	1.8
99.04446	2.3
100.97294	1.7
101.00751	2.6
102.96873	2.4
103.05480	16.5
103.47538	30.7
104.05817	2.8
105.03406	53.2
105.04475	8.6
105.06188	6.3
105.07040	100.0
106.06573	3.5
106.07346	2.2
108.95856	2.2
110.01298	6.4
110.06055	1.7
112.02205	41.9
112.48058	12.6
113.02988	20.7
113.96418	5.6
115.05480	7.7
117.07005	2.8
118.07788	2.3
119.01776	2.0
119.97330	2.9
122.07134	2.2
123.07935	50.0
124.05520	2.3
125.02972	1.8
126.03762	4.5
127.04021	1.8
128.97836	6.9
131.08588	3.6
131.97479	1.9
132.95840	27.6
133.02866	85.3
133.04962	3.2
133.06497	44.5
133.07616	14.1
133.10138	19.7
134.06030	10.7
134.06949	2.5
134.09637	2.7
137.98410	3.4
140.98523	1.5
143.04070	1.9
144.04767	10.7
150.96907	47.3
151.93814	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.032
Annotation	THTC
Peak:m/z	Relative Intensity
51.60010	0.6
53.03949	6.9
55.01873	7.1
55.05522	1.1
56.05040	2.7
56.96571	3.5
57.03439	6.5
58.06605	0.8
58.99591	13.3
59.05006	1.2
59.96741	3.2
61.01155	84.3
61.02932	1.2
64.95592	0.6
69.03433	2.4
70.02955	0.7
70.06590	3.7
71.01365	2.0
71.04993	1.4
71.49314	0.9
72.00345	3.4
72.08162	1.3
72.93795	2.6
73.02923	8.1
74.02448	13.1
74.06068	2.3
74.99065	5.5
75.01014	0.7
75.02710	4.6
75.55667	0.7
77.00625	5.2
77.03936	1.3
78.22726	0.6
79.05507	1.9
83.01344	2.8
85.01128	8.5
85.01588	0.7
85.02905	11.1
86.09715	0.7
87.02698	100.0
87.04472	3.6
87.05596	1.9
87.10049	2.1
88.02213	1.4
88.03990	3.9
89.02383	0.7
89.04286	0.8
90.09224	0.9
90.90367	1.1
90.94849	1.4
91.02177	3.0
91.05497	3.2
91.90417	2.1
92.90099	4.8
95.04984	0.9
97.02905	1.3
98.06058	3.4
99.04457	0.7
100.02505	2.1
102.09179	1.5
102.96828	0.6
103.02451	1.9
103.03873	0.6
103.05480	1.5
105.00096	7.0
105.03713	2.8
105.04382	0.6
105.07037	12.9
113.96413	0.8
114.24475	0.7
115.02327	0.6
115.03942	1.2
115.05475	1.4
116.07079	0.8
118.07848	0.6
119.01931	2.4
121.01466	0.8
121.03510	0.7
131.01923	0.8
131.08585	0.7
132.95868	1.1
133.03204	19.4
133.04965	2.4
133.06487	4.8
133.07591	1.6
133.10101	5.6
134.05997	2.4
134.11769	2.0
150.96902	1.5
151.04549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
55.01875	6.1
56.05030	2.2
56.96572	9.3
57.03440	8.2
58.99590	14.9
59.04998	2.4
59.96739	3.4
60.95849	1.4
61.01154	82.4
61.02922	1.2
62.01476	0.8
69.03429	4.4
69.59189	3.0
69.59599	1.1
70.02953	0.6
70.06584	2.8
70.95874	1.3
70.99579	1.0
71.01365	3.5
71.04994	4.1
72.00365	3.1
72.08159	1.4
72.93800	4.5
73.02926	10.6
74.02443	12.6
74.06081	2.3
74.99077	4.7
75.02712	4.6
77.00618	5.1
77.03947	0.7
79.05494	2.3
81.03521	0.6
82.01456	0.7
83.01344	4.3
84.52975	0.6
85.01121	8.4
85.02906	11.3
86.99055	0.7
87.00839	1.9
87.02697	100.0
87.04463	4.4
87.05592	2.1
87.10060	3.3
88.02199	0.9
88.03067	1.1
88.03990	4.0
89.04230	0.7
90.90395	2.4
90.94839	2.2
91.02175	3.8
91.05494	3.8
91.90414	4.3
92.01303	0.9
92.90085	8.5
93.07110	0.7
95.04971	0.9
96.01560	1.1
96.02458	0.7
97.02873	1.2
98.06064	3.6
98.21556	0.6
98.97555	1.1
99.04463	1.2
100.02471	1.0
101.00842	0.5
101.02438	0.6
102.09178	1.3
102.96920	0.9
103.02449	2.3
103.03957	0.9
103.05471	0.7
103.47530	1.9
105.00117	5.3
105.03722	2.7
105.04428	0.9
105.07034	12.1
106.06550	2.1
110.01286	1.5
110.91129	1.3
114.04125	0.6
115.02145	0.7
115.03924	1.1
116.07104	1.1
116.98625	0.6
119.01924	2.1
121.03514	1.5
131.01903	0.5
132.95847	3.4
133.03209	20.6
133.04802	2.9
133.06500	4.3
133.07628	4.1
133.10095	3.4
134.06027	3.6
134.08035	0.6
134.11769	1.9
142.03574	0.6
148.56947	0.6
150.96872	3.5
151.04546	0.9
151.93777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02380	0.7
51.20668	0.7
53.03945	3.7
55.01876	9.1
55.05510	1.6
65.03938	0.8
66.92381	0.5
69.59029	0.6
70.63611	1.7
77.03919	3.2
79.05502	20.6
79.05965	1.0
81.03423	0.7
91.05489	28.5
93.07050	2.6
95.04969	3.3
103.05470	14.1
105.03441	2.8
105.07038	100.0
106.07365	1.4
107.08568	0.8
112.02191	0.8
115.05464	14.8
116.06181	0.6
117.07015	3.2
118.04164	1.4
118.07791	3.2
120.34332	0.5
123.07980	1.8
131.08591	3.7
133.02892	4.2
133.06502	93.4
133.10136	32.2
134.05965	1.2
134.06883	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03948	2.8
55.01879	10.1
58.70720	0.7
71.30657	0.8
77.03948	1.6
79.05501	21.1
91.05491	19.1
95.04993	2.4
95.25640	0.7
103.05485	13.0
105.07042	63.9
115.05463	12.4
131.08646	1.1
133.06506	100.0
133.10100	3.7
134.06898	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.26532	0.6
53.03939	2.4
54.37488	0.6
55.01630	0.9
55.01876	10.5
70.68313	1.1
70.68655	0.9
77.03931	1.6
79.05500	19.6
79.64906	0.5
80.42229	0.6
80.82354	0.5
81.47422	0.6
91.05489	17.2
95.04962	1.7
103.05476	13.6
105.04545	1.1
105.07039	63.1
106.07355	0.8
115.05450	12.6
133.06502	100.0
133.10121	3.9
134.06866	2.7
139.54855	0.6
140.29402	0.6
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
53.03948	3.6
53.91100	0.5
55.01870	3.6
55.05505	1.5
65.03942	0.7
66.04715	0.8
67.05512	0.7
69.14027	1.5
69.14438	4.3
70.06588	1.0
73.02920	1.0
74.02422	0.7
77.03934	1.9
78.04713	0.6
79.05497	18.1
80.54158	0.5
81.04524	0.7
90.04729	3.5
91.05486	14.3
93.07048	2.4
95.04982	3.5
98.21578	0.7
103.05472	12.4
104.04989	1.3
105.03410	2.5
105.04565	1.4
105.07035	100.0
106.06580	1.5
106.07391	1.5
107.04979	0.7
107.08585	0.6
112.02185	1.8
115.05460	5.9
117.07037	2.8
118.04176	8.0
118.07822	2.7
123.07948	1.8
131.04971	0.9
131.08575	4.2
132.05630	0.7
133.02879	1.9
133.05325	2.4
133.06500	62.0
133.10135	22.6
134.06010	2.5
134.06903	0.7
144.04771	0.7
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	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03958	3.9
54.79169	0.6
55.01874	8.9
55.05501	1.0
58.81889	0.7
69.75664	1.7
69.76077	1.7
77.03925	2.3
79.05494	19.5
91.05483	22.3
92.05828	0.7
93.07054	2.0
95.04961	3.2
96.92770	0.6
103.05471	16.8
105.03413	1.3
105.04536	1.7
105.07035	85.2
106.07368	1.1
114.91534	0.8
115.04700	1.0
115.05466	13.9
117.07024	1.8
118.07870	3.2
123.07992	1.0
131.08557	2.5
133.06497	100.0
133.10127	16.6
134.06837	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03951	3.1
55.01876	5.0
66.43578	0.4
70.25204	0.4
70.48977	1.0
70.49344	0.9
73.69968	0.4
77.03937	1.6
79.05496	17.9
91.05489	7.0
95.04977	2.0
100.52592	0.4
103.04801	1.0
103.05471	14.5
105.04539	1.0
105.07035	100.0
106.07357	1.5
107.04950	1.1
115.05457	6.9
117.06978	0.5
118.07829	0.7
131.04941	1.6
131.08574	1.4
133.06499	94.3
133.10103	4.7
134.06836	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
52.52115	0.3
53.03940	2.4
55.05511	2.6
65.03925	0.7
67.05500	0.7
69.40038	0.9
69.40444	2.9
77.03925	1.7
79.05496	10.4
86.90995	0.3
91.05486	25.3
93.07054	5.8
95.04983	1.6
101.05244	0.4
103.05478	5.9
105.07040	68.5
106.07367	1.3
107.08588	1.6
115.05465	8.6
115.06284	0.5
116.06233	1.7
117.07024	9.4
118.04082	0.6
118.07813	9.0
119.08170	0.5
119.11690	0.5
125.77729	0.4
129.07014	0.7
131.08582	8.6
133.02878	0.7
133.06552	4.3
133.10141	100.0
134.06070	0.5
134.10500	2.5
137.29803	0.4
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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03944	2.4
55.01868	0.4
55.05521	2.8
55.13172	0.3
61.88802	0.3
62.25777	0.3
62.68515	0.3
65.03938	0.6
73.71321	0.3
74.87392	0.3
77.03936	1.0
79.05493	9.6
91.05482	22.0
93.07045	6.7
95.04962	1.1
103.05457	4.9
105.04547	0.8
105.07031	62.9
106.07368	1.2
107.08633	1.5
115.05455	9.3
116.06287	1.6
117.07027	10.1
118.04163	0.4
118.07807	9.4
118.51713	0.3
119.05995	0.4
119.08154	0.3
123.07965	0.5
129.07002	0.6
131.08569	8.6
133.02898	0.5
133.06526	3.7
133.10130	100.0
134.10464	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03936	1.9
55.05507	2.2
63.52763	0.6
65.03930	0.9
67.05502	0.9
69.27375	5.3
74.17329	0.5
74.46005	0.5
74.47243	0.5
77.03919	0.9
77.66528	0.6
79.05499	7.5
91.05480	21.2
93.07050	6.6
95.04967	1.9
103.05476	4.5
105.07030	53.9
106.07373	0.7
107.08609	1.3
115.05447	8.4
116.06246	1.4
117.07020	8.4
118.07806	8.6
129.07036	0.8
131.08580	6.8
133.10132	100.0
134.10474	2.3
135.40488	0.5
150.05188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
53.52077	0.4
55.05516	2.6
62.07637	0.4
63.49274	0.5
64.06131	0.5
65.03932	0.6
67.05508	0.8
67.56492	0.4
67.69894	0.4
69.38755	3.1
73.12978	0.4
74.04556	0.4
77.03932	0.6
79.05068	0.9
79.05500	7.3
91.05490	21.7
92.05776	0.6
92.06290	0.6
93.07052	5.6
95.04984	1.3
103.05476	3.5
105.04494	1.0
105.07041	54.6
106.07359	0.6
107.08601	1.4
115.05456	7.7
115.23298	0.4
116.06266	1.1
117.07025	9.9
118.07821	9.9
129.07005	0.5
131.08577	7.7
133.10141	100.0
134.10484	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03937	1.7
55.01869	0.7
55.05519	3.7
55.93272	0.5
60.81822	0.5
65.03946	0.6
67.05504	1.1
71.34750	1.1
77.03919	1.4
79.05499	11.8
91.05484	28.0
93.07056	5.5
95.04974	2.2
103.05480	7.2
105.03397	0.9
105.07037	82.2
106.07378	1.0
107.08585	1.8
108.84660	0.5
112.02206	0.9
115.05456	8.9
116.06236	1.7
117.07023	9.7
118.04129	0.8
118.07817	9.1
123.07921	1.0
129.06937	0.5
131.08577	8.6
133.02853	1.1
133.06523	7.7
133.10138	100.0
134.06009	1.2
134.10463	1.9
150.77417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01869	0.7
55.05519	3.7
55.93272	0.5
60.81822	0.5
65.03946	0.6
67.05504	1.1
71.34750	1.1
77.03919	1.4
79.05499	11.8
91.05484	28.0
93.07056	5.5
95.04974	2.2
103.05480	7.2
105.03397	0.9
105.07037	82.2
106.07378	1.0
107.08585	1.8
108.84660	0.5
112.02206	0.9
115.05456	8.9
116.06236	1.7
117.07023	9.7
118.04129	0.8
118.07817	9.1
123.07921	1.0
129.06937	0.5
131.08577	8.6
133.02853	1.1
133.06523	7.7
133.10138	100.0
134.06009	1.2
134.10463	1.9
150.77417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29693	3.0
53.03941	5.6
55.01876	5.5
55.05499	5.2
56.96570	100.0
57.03447	35.5
65.52194	6.4
67.05487	3.4
69.03439	10.8
69.54002	8.3
69.54414	15.2
70.98149	5.8
72.52993	8.2
73.02917	6.5
74.78163	3.2
77.52172	5.5
78.52993	8.1
79.05521	9.9
79.51179	3.3
81.03440	7.9
81.53490	4.2
82.01445	17.8
82.99838	4.1
84.52962	9.4
85.02910	3.9
85.53745	7.0
86.52704	31.8
88.02711	10.7
89.00873	3.5
93.07018	4.3
93.53487	11.8
95.53236	7.0
98.97602	23.2
99.04473	4.3
99.53487	3.8
100.02498	44.9
101.00883	39.2
102.00987	4.9
102.02406	13.2
103.00641	5.1
103.02450	5.8
106.06577	5.3
107.04970	9.7
107.08616	4.0
109.02873	5.2
110.96835	8.0
111.02126	4.2
111.02916	18.1
113.00893	10.3
113.53191	4.7
115.02423	7.5
116.98635	11.6
118.03521	16.1
119.01931	76.7
119.97340	38.3
120.02037	12.3
120.03391	6.5
121.01679	14.6
122.53714	9.1
124.02473	17.8
128.97850	56.8
129.03998	11.8
131.01918	29.7
131.53227	6.7
133.03508	8.1
134.03667	13.9
134.04739	3.3
134.05055	4.2
134.06009	22.2
134.09639	4.4
135.04411	4.4
136.02472	4.4
137.02942	10.3
137.50056	9.9
137.98364	17.8
138.03107	4.9
140.48694	4.5
142.03513	52.6
143.01933	7.4
143.03641	9.9
144.03313	7.4
145.03500	9.4
147.01340	3.5
147.05032	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	17.9
55.05511	13.4
55.94966	13.8
56.96581	82.8
56.96810	15.1
57.03432	36.1
58.16431	15.1
58.99857	13.0
70.06965	58.5
73.02904	15.9
74.02455	97.5
74.93179	100.0
75.84689	12.0
77.80470	13.1
78.52939	17.7
82.01460	29.0
84.52933	17.6
86.52695	34.1
88.02662	19.9
88.04011	30.4
88.98016	17.2
92.90456	19.1
98.97594	36.2
100.02487	36.7
101.00877	49.0
103.12570	14.5
111.02933	26.9
113.00931	14.7
119.01928	58.1
119.97355	15.3
128.97879	22.8
131.01945	27.5
137.50021	22.3
137.98409	23.6
142.03500	52.9
146.10170	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03956	10.4
55.01868	3.4
55.05522	14.2
57.07081	1.4
65.03931	3.2
67.05511	11.9
69.07063	5.7
69.60886	8.1
77.03934	1.8
79.05501	43.1
81.07061	12.2
91.05493	70.8
93.07055	80.8
94.07819	1.7
95.04976	9.4
105.04529	4.6
105.06320	1.4
105.07032	25.8
106.04206	1.7
106.07821	1.6
107.04971	8.4
107.08607	100.0
108.04493	1.4
108.08926	1.4
109.01099	1.4
109.06530	5.6
115.05460	3.0
117.07019	4.9
119.06077	5.2
119.08595	11.1
119.29958	1.3
120.09351	4.7
135.04416	6.4
135.05420	1.9
135.08084	4.8
135.09140	2.8
135.11703	37.5
136.02161	14.7
136.03909	1.5
136.06190	9.3
136.07590	2.7
136.12045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03948	10.9
55.01861	3.9
55.05515	12.7
55.96076	1.4
56.15137	1.3
57.59813	1.4
59.02301	1.5
65.03928	4.9
67.05506	28.7
69.03406	1.6
69.07075	8.0
69.39612	10.6
77.03935	2.1
77.50864	1.3
77.91153	1.3
79.05495	73.9
80.05027	3.3
81.07058	23.7
82.68105	1.6
91.05485	50.4
92.05829	1.7
93.07050	100.0
95.04989	9.2
100.91117	1.4
105.04516	6.3
105.07034	21.4
107.04961	19.7
107.08597	77.2
108.04470	2.6
109.01136	2.8
109.06516	2.6
115.05462	6.5
117.07043	7.1
119.03535	1.6
119.06055	3.8
119.08575	6.4
120.09404	1.6
133.10143	2.5
135.04411	11.0
135.05449	2.8
135.08044	18.2
135.09158	5.4
135.10701	2.9
135.11694	52.2
136.02176	30.0
136.03896	1.5
136.06192	20.0
136.07558	5.6
137.04593	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03942	8.6
55.01871	1.9
55.05513	14.3
60.87814	1.9
65.03934	2.0
65.39507	1.5
67.05509	32.1
69.07072	7.8
69.37344	13.9
71.62000	1.3
79.05496	73.9
81.07055	31.7
82.81341	1.5
91.05488	33.2
93.07047	100.0
95.04984	7.6
105.04514	4.5
105.07022	7.9
107.04943	5.3
107.08598	67.8
109.06502	2.4
115.05452	2.2
119.06049	2.1
119.08584	2.3
125.85274	1.9
133.10092	1.8
135.04457	2.7
135.08081	6.8
135.09106	3.6
135.11697	66.3
136.02174	8.3
136.06197	7.0
136.07607	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03951	7.5
53.07919	0.8
55.01861	0.9
55.05519	8.2
57.07089	1.1
65.03941	3.4
67.05503	2.7
68.92922	1.1
69.07088	1.9
69.86015	2.5
69.86431	2.5
77.03911	1.7
79.05068	1.6
79.05496	21.0
81.07055	3.5
91.05488	62.6
92.05816	1.3
93.07050	46.8
95.04985	5.6
95.08615	1.7
103.05469	1.6
104.06268	1.2
105.04531	3.4
105.07038	32.8
106.07839	1.7
107.04955	1.4
107.08603	100.0
108.08929	2.1
109.06550	6.1
117.07013	3.1
117.61794	0.9
119.06104	7.9
119.07803	1.5
119.08585	15.8
120.09388	6.5
133.10204	1.0
135.04449	1.3
135.10699	1.7
135.11697	26.5
148.20596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03938	5.8
54.68955	1.0
55.05512	8.9
55.49434	1.4
57.07067	1.8
63.01644	1.1
65.03950	4.2
67.05508	2.3
69.07087	1.8
70.13444	3.4
70.13789	2.0
77.03946	2.2
79.05495	16.2
81.07053	2.9
91.05489	62.5
93.07052	43.2
94.07857	1.8
95.04960	4.8
95.08651	1.8
103.05466	2.2
104.06287	1.1
105.04539	2.8
105.07044	31.1
106.07872	1.7
107.08601	100.0
108.08962	1.7
109.06544	5.7
117.07029	2.7
119.06107	6.5
119.08591	19.1
120.09361	6.0
128.13895	1.1
135.08081	3.1
135.11696	21.3
136.02179	1.3
144.74362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	7.0
55.01864	1.0
55.05517	10.0
65.03954	1.8
67.05497	4.0
68.92153	0.8
69.07059	4.2
69.20032	1.1
69.20319	5.3
69.20734	4.8
71.93011	1.0
77.03934	1.8
79.05498	24.6
81.07043	5.1
91.05489	43.4
91.39847	1.1
93.07052	62.0
95.04980	4.4
96.08748	1.0
98.21481	1.7
105.04520	3.5
105.07034	16.8
107.04960	2.4
107.08603	100.0
108.08954	1.7
109.06515	4.2
119.06102	5.0
119.08576	7.4
120.09380	2.3
135.04446	2.0
135.11707	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.9
55.05318	0.8
55.05510	9.1
57.07051	1.1
65.03927	2.8
67.05496	2.9
69.07055	3.8
70.05453	2.8
70.05868	1.8
77.03916	1.7
79.05491	21.9
81.07047	3.1
85.68159	0.9
91.04910	2.2
91.05479	43.2
93.07047	52.3
94.07827	1.3
95.04968	5.2
103.05467	1.1
105.04502	1.8
105.07038	19.5
106.04159	1.0
107.04946	3.2
107.08595	100.0
108.08944	1.3
109.06523	4.3
115.05448	1.6
117.07000	2.8
119.06103	4.3
119.08579	5.9
120.09354	2.8
135.04396	1.3
135.08037	2.7
135.11696	19.4
136.02148	3.0
136.06216	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03742	1.2
53.03956	11.4
55.05516	15.0
55.36912	1.1
57.07066	2.1
65.03954	4.0
67.05505	3.8
69.07067	6.5
70.63724	2.4
77.03937	2.3
79.05499	35.5
81.03404	1.1
81.07065	5.0
87.29240	1.1
91.05488	71.9
92.06287	1.5
93.07054	76.1
94.07849	1.8
95.04976	7.4
95.08621	1.8
101.13923	1.2
103.05515	1.8
105.04526	4.5
105.07040	29.3
106.04174	0.9
107.04975	3.9
107.08604	100.0
108.08947	2.1
109.06525	6.9
115.05482	4.7
117.07044	3.5
119.06059	7.5
119.08588	16.0
120.09364	7.5
133.10150	2.4
135.04451	1.9
135.08067	7.4
135.11694	23.7
136.02191	2.7
136.06244	1.8
136.07501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03944	7.8
55.01863	1.4
55.05280	0.9
55.05515	11.6
57.33244	0.9
65.03931	2.6
67.05499	3.0
69.07054	4.0
70.66394	1.7
70.66730	1.4
77.03924	2.1
79.05496	27.6
80.05807	1.0
81.03386	1.0
81.07034	3.4
91.05485	52.0
93.07045	52.5
95.05003	5.3
95.05479	1.1
103.05433	2.0
105.04511	2.6
105.07030	23.3
106.04171	1.1
106.07813	1.2
107.04924	3.7
107.08594	100.0
108.08927	2.2
109.06514	5.8
115.05444	1.3
117.07023	2.6
119.06071	5.7
119.08582	10.1
120.09394	4.9
135.04408	1.8
135.08046	3.0
135.09079	1.1
135.10699	1.5
135.11682	20.3
136.02127	3.0
136.06200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
53.15739	0.3
60.22566	0.3
70.94144	0.7
80.11294	0.3
82.42680	0.3
84.27116	0.3
87.09789	0.3
92.02464	0.6
94.04058	5.0
97.33999	0.3
109.05109	1.1
119.02924	0.4
119.03554	13.9
136.06189	100.0
137.04604	4.0
137.06595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.9
66.20440	0.3
67.02989	0.5
67.61478	0.3
71.15697	0.6
79.38628	0.3
80.05027	0.3
91.05488	0.7
92.02485	0.8
94.04073	4.5
102.53130	0.3
104.32797	0.4
109.05129	0.8
113.00915	0.4
119.03562	12.7
122.03665	1.1
131.01924	0.4
136.06197	100.0
137.04591	4.2
137.05981	1.9
149.43318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02399	0.9
52.42882	0.4
53.03958	1.2
58.99244	0.4
65.03959	1.9
66.04729	7.5
67.05505	0.7
67.99483	0.4
69.65942	2.7
77.03945	1.0
79.05492	4.1
81.03439	0.5
81.07071	2.5
91.05499	4.2
94.04196	50.2
95.05003	1.2
105.03376	0.8
105.04546	0.8
107.04955	1.6
109.06515	0.7
109.17039	0.4
122.03659	65.6
123.04001	1.8
135.04402	1.0
137.05984	100.0
138.06342	1.4
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
51.02373	0.9
52.16917	0.4
53.03952	1.4
55.01877	1.1
57.14581	0.4
62.11341	0.5
65.03940	1.8
66.04721	7.4
71.35606	0.8
77.03931	1.3
77.52023	0.5
79.05482	4.6
81.07066	2.1
91.05468	3.5
91.49751	0.6
93.32748	0.4
94.04189	53.1
95.04475	0.9
95.05011	0.9
105.03389	0.8
107.04956	1.6
109.06536	0.7
115.61882	0.5
122.03649	75.7
123.03941	1.0
135.04440	0.7
137.05977	100.0
138.06308	2.8
151.46638	0.4
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
53.03951	1.7
55.01881	0.6
58.77122	0.5
65.03947	1.9
65.57506	0.4
66.04724	8.2
67.05502	1.6
71.27858	1.1
77.03921	0.9
79.05485	4.8
81.03416	0.8
81.07066	3.4
88.43288	0.5
91.05491	4.2
94.04192	45.0
95.04469	0.7
95.05003	0.9
95.08644	1.0
105.03429	1.2
107.04964	1.7
109.06538	0.8
122.03654	69.6
123.03996	0.7
135.04448	0.5
137.05983	100.0
137.09550	1.2
138.06323	1.9
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
51.02389	0.5
53.03944	1.4
55.01873	0.6
55.05539	0.6
57.07075	2.3
65.03943	2.1
66.04717	7.1
66.05035	0.6
67.05506	4.8
69.07069	1.0
69.14860	1.1
69.15279	4.2
72.67945	0.5
75.53847	0.4
77.03931	1.4
77.38435	0.5
79.05495	7.4
81.07056	11.9
81.12823	0.5
91.05486	4.9
93.07051	1.3
94.04188	50.7
95.04980	1.6
95.08602	14.4
105.03421	0.7
107.04983	2.3
109.06520	1.2
109.10169	1.2
116.76486	0.5
121.35744	0.4
121.40302	0.5
122.03650	67.3
122.07266	1.9
123.03970	1.1
135.04407	1.0
137.05977	100.0
137.09583	1.4
137.13255	1.9
138.06339	2.3
139.16428	0.4
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
51.02386	0.8
53.03950	2.0
55.01872	1.3
55.05502	0.5
65.03949	1.9
66.04727	8.0
67.05508	7.0
69.03428	0.6
69.32546	1.2
69.32967	2.8
76.55146	0.4
77.03928	1.7
79.05495	5.8
81.03410	0.5
81.07059	4.8
83.61632	0.6
91.05486	6.9
93.07050	1.8
94.04188	48.6
95.04974	1.4
95.08614	3.3
96.22577	0.4
96.86720	0.5
102.76051	0.5
103.05492	0.6
105.04514	0.9
107.04957	9.1
107.08560	0.6
109.06528	1.1
109.10158	8.0
117.06953	0.8
119.08575	4.6
121.06490	2.4
122.03651	68.8
122.07284	28.5
123.03990	1.5
135.08066	1.2
137.05980	100.0
137.09608	24.3
138.06303	1.7
138.09961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.60751	0.4
51.02374	1.1
52.41195	0.4
53.03949	3.2
55.01870	1.6
55.05516	2.4
57.07078	1.3
62.46050	0.6
65.03937	3.2
65.31794	0.5
65.86310	0.6
66.04729	7.9
67.05507	26.5
69.03420	2.0
69.07072	1.9
70.77110	1.1
70.77483	1.1
77.03938	1.7
79.05498	8.6
81.03415	1.0
81.07060	18.2
91.04906	0.8
91.05482	15.7
93.07040	5.0
94.04190	46.0
94.07835	0.6
95.04981	3.3
95.07985	0.8
95.08607	17.1
103.05476	1.6
104.06274	0.8
105.04516	1.0
107.04960	22.7
107.08620	1.4
108.05296	0.5
109.06507	2.6
109.10159	27.3
110.10543	0.5
117.07039	1.2
119.04954	1.0
119.08592	13.8
121.06511	7.8
122.03654	69.2
122.07288	83.8
123.03996	1.6
123.07629	1.5
135.04405	0.6
135.08046	4.4
137.05983	100.0
137.09616	74.5
137.13129	1.0
138.05420	1.0
138.06325	2.2
138.09064	0.5
138.09973	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02374	0.7
51.61234	0.5
53.03938	2.3
55.01860	1.6
55.05502	2.2
57.07065	0.5
65.03928	2.1
66.04720	5.8
67.05507	27.8
69.03426	1.6
69.07052	0.7
74.73241	0.5
74.86436	0.5
77.03922	1.5
79.05496	8.1
81.07058	11.8
91.05482	15.9
93.07043	4.9
94.04187	39.0
94.07833	1.3
95.04970	2.5
95.08605	8.7
103.05450	1.3
104.06245	1.5
105.04536	1.0
107.04961	24.3
107.08578	1.6
109.06519	2.2
109.10159	31.7
117.07000	2.3
119.04938	0.7
119.08587	15.4
121.06517	9.5
122.03657	52.5
122.07288	100.0
123.03992	1.3
123.07626	1.4
135.04436	0.6
135.08038	4.2
137.02464	1.5
137.05983	72.8
137.09616	81.1
138.05408	1.0
138.06317	2.0
138.09975	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.32866	0.3
53.03954	1.9
55.01870	0.9
55.05505	1.7
65.03950	1.0
66.04722	1.4
67.05508	27.8
67.97546	0.3
69.03427	1.8
69.07076	1.2
77.03934	1.1
78.04692	0.7
79.05492	4.1
81.03425	0.4
81.07059	8.8
91.05483	13.5
92.05785	0.4
93.07059	4.0
94.04189	9.0
94.07835	1.5
95.04977	2.1
95.08614	5.2
103.05484	1.5
104.06267	1.1
105.04552	0.8
107.04961	23.9
107.08582	1.9
109.06530	1.0
109.10160	32.6
110.10495	1.0
115.05447	0.5
117.07018	2.6
119.08587	17.9
121.06507	9.2
122.03660	11.0
122.07288	100.0
123.07636	1.9
130.66135	0.3
135.08051	3.0
137.02368	0.3
137.05991	18.0
137.09619	87.5
138.06328	0.4
138.09952	2.2
149.07108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.8
53.03948	2.1
55.01876	0.8
55.05513	0.7
65.03953	2.2
66.04728	7.1
67.05508	9.8
69.07078	0.8
71.47619	0.7
77.03941	1.3
79.05492	6.4
81.03416	1.1
81.07064	7.1
91.05489	9.2
93.07066	2.1
94.04191	48.9
95.05026	2.0
95.08614	5.5
105.03391	0.6
105.04523	0.7
107.04958	9.0
109.06527	2.0
109.07657	1.1
109.10157	9.5
109.10846	0.7
114.22089	0.4
117.23060	0.4
119.04991	0.6
119.08586	4.7
120.04477	0.6
121.06496	2.5
122.03656	68.8
122.07288	28.8
123.03983	0.6
123.07641	0.5
135.04390	0.8
135.08046	1.0
136.59790	0.5
137.02454	1.3
137.05984	100.0
137.09615	24.0
137.10609	0.8
138.06339	2.9
138.09131	0.8
145.12192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.2
53.03937	2.6
55.01883	0.9
55.05519	4.3
57.07078	5.7
61.26090	0.7
65.03937	2.3
66.04730	7.9
67.05506	21.5
69.07078	4.9
70.95715	1.8
72.32986	0.7
72.84006	0.8
77.03936	1.8
79.05499	11.2
81.03421	1.2
81.07057	38.5
89.40967	0.7
90.80358	0.7
91.05483	8.6
93.07031	4.6
94.04189	56.4
95.04459	0.9
95.04992	1.8
95.08607	56.8
96.08932	1.7
105.03388	1.0
107.04960	7.3
109.06537	1.9
109.10159	10.3
119.06193	0.8
119.08577	3.2
121.06481	2.3
122.03652	73.4
122.07287	21.4
123.04002	1.4
123.07674	1.0
135.04366	1.1
135.08054	1.4
137.05978	100.0
137.09615	17.4
137.13248	6.5
138.06310	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
51.74820	0.7
53.03946	1.9
55.05507	4.6
56.90100	0.6
57.07079	9.9
62.18969	0.6
65.03935	1.8
67.05511	25.9
68.05034	0.8
69.07066	7.2
71.08636	1.0
71.16663	1.4
79.05500	8.1
81.07063	58.0
81.50505	0.7
82.06597	0.8
91.05486	3.7
93.07046	6.3
94.04204	4.7
94.06559	1.1
95.04998	1.1
95.08614	100.0
96.04514	1.5
96.08926	1.5
108.09377	1.2
109.06518	1.2
109.07656	2.4
109.10181	5.9
110.06039	1.7
122.03667	4.6
137.02490	2.9
137.04474	1.1
137.04950	1.1
137.05956	10.6
137.06990	1.3
137.08080	1.1
137.09709	1.5
137.10767	6.3
137.13261	6.7
138.05499	4.0
138.09160	1.2
145.03862	0.6
149.87590	0.6
156.39142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.19611	0.2
53.03940	0.5
64.06638	0.2
65.03918	1.0
67.05506	1.1
70.38689	0.5
78.03459	1.0
79.04229	0.3
85.87285	0.2
92.05013	9.3
93.05783	1.1
94.06573	19.3
96.04499	2.7
110.06049	10.7
115.02477	0.3
116.41976	0.2
124.26732	0.2
125.09469	0.2
126.45193	0.2
133.03477	0.6
136.03935	0.3
138.05510	100.0
139.05864	2.0
154.05025	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01884	6.4
55.05512	4.9
56.96561	3.3
57.93551	1.0
59.05000	0.8
65.03944	15.9
65.43183	0.6
67.01859	3.3
67.05504	5.7
68.99796	11.4
69.03436	5.7
69.07066	2.7
70.06587	3.0
70.20137	2.3
71.01351	1.9
71.95245	0.8
79.01855	0.5
79.05494	1.5
81.03387	0.8
81.07084	1.0
83.04985	10.8
91.05482	1.0
93.03408	10.5
93.04530	1.6
93.07061	3.0
94.06550	0.6
95.04965	5.0
95.06084	0.8
95.08588	1.8
97.02900	6.1
97.06527	3.4
98.21420	0.9
98.97594	7.2
98.98478	5.4
99.00797	0.7
105.07035	0.7
109.06519	0.6
111.04451	33.8
111.08059	0.6
112.03968	0.7
112.04749	0.7
112.07622	0.7
116.97249	2.8
116.98610	4.5
121.02889	3.6
121.03989	3.8
121.06471	0.7
121.10147	0.7
122.06013	0.8
125.02333	1.3
134.99644	1.1
139.03911	100.0
139.07555	1.8
139.11191	1.4
139.12225	0.8
140.04280	1.8
151.05859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03942	3.1
55.01878	7.2
55.05517	5.4
56.96576	3.8
57.93558	1.0
59.05000	0.6
63.81812	0.6
65.03615	0.9
65.03947	16.3
67.01869	3.7
67.05511	4.9
68.05031	0.5
68.99448	0.8
68.99796	10.9
69.03436	5.0
69.07066	2.0
70.03751	0.8
70.06599	2.4
71.01352	2.3
71.09645	1.0
71.95266	0.7
79.05492	0.8
81.07069	0.9
83.04987	9.1
91.05479	1.6
93.03410	10.5
93.04529	1.4
93.05370	0.7
93.07047	3.4
95.04984	4.5
95.06090	0.9
95.08622	1.3
96.04508	1.4
97.02900	3.9
97.04832	2.4
97.06539	2.1
98.97588	10.2
98.98476	5.5
111.04449	33.7
111.08016	0.7
112.03937	0.7
112.07579	0.8
116.97205	2.4
116.98637	5.8
120.61956	0.5
121.02970	3.9
121.03999	4.8
121.04865	0.8
121.06537	2.5
121.10152	1.0
122.09640	0.5
125.02325	1.1
134.99667	1.7
139.03915	100.0
139.07539	1.4
139.11235	1.1
139.12331	1.6
140.04297	0.8
140.07144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03939	2.1
55.01880	5.2
55.05519	4.0
56.96570	0.6
59.29914	0.4
63.40309	0.5
65.03617	0.7
65.03949	12.0
67.01869	2.9
67.05508	3.7
68.99456	0.5
68.99801	9.3
69.03424	3.1
69.67231	2.3
71.01353	2.1
78.42852	0.5
79.66139	0.4
83.04988	8.2
93.03421	8.9
93.07021	0.8
95.04970	1.7
97.02907	4.2
97.06530	0.8
98.97581	2.0
98.98499	1.0
99.00787	0.6
111.04452	28.6
112.04807	0.6
116.98598	0.9
121.02892	1.8
121.04015	1.1
139.03917	100.0
140.04277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	20.0
69.52399	2.7
71.95267	7.2
88.85960	0.5
97.02872	0.6
98.97588	100.0
116.98625	40.8
134.99663	7.2
140.00220	0.9
149.79395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00192	0.5
54.98635	0.9
56.96568	18.1
71.95271	6.6
76.94047	0.5
83.11787	0.4
85.13061	0.4
90.34838	0.4
95.18095	0.5
98.97590	100.0
99.97938	0.9
116.98624	37.6
126.85589	0.5
134.99667	6.9
140.00229	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0707
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
51.02385	3.1
53.03720	2.0
53.03950	31.5
55.01865	3.8
56.96551	5.2
57.93543	2.1
59.45006	1.4
65.03934	4.3
67.05508	47.7
69.03424	1.6
69.07076	6.8
70.67454	3.3
71.95265	2.2
77.03943	8.7
81.03425	3.7
84.08157	9.1
93.05795	19.6
94.06571	60.5
95.04971	38.6
96.04485	1.4
97.02932	1.6
97.05285	1.5
98.97589	30.1
105.04506	15.4
105.73888	1.2
112.07619	19.2
113.02367	1.9
113.05967	1.6
116.32803	1.1
116.97228	3.9
116.98621	12.9
122.06034	100.0
123.04439	3.5
123.06406	2.2
125.02349	1.6
134.99649	1.6
139.74278	1.3
140.07063	53.2
142.25703	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
53.39716	0.9
55.01869	1.6
55.08631	0.9
56.65799	0.9
56.96568	23.2
56.96848	1.6
57.93576	7.9
61.15695	1.1
65.03933	3.8
66.04269	2.3
67.05508	23.8
67.93541	1.4
68.05022	1.5
69.03086	1.8
69.03433	21.9
69.07074	14.7
70.06597	6.9
70.66035	3.1
71.95267	8.2
82.06555	1.3
84.04471	1.4
84.08144	4.7
94.06569	11.6
95.04968	15.6
95.08588	1.5
96.04480	2.1
97.02904	6.2
98.06094	2.2
98.97590	100.0
100.22160	1.1
102.60965	0.9
109.02959	1.1
110.03677	1.6
111.04427	1.4
112.03946	4.1
112.04713	1.9
112.06837	2.2
112.07610	39.7
113.02359	2.7
113.06002	5.0
116.97298	15.0
116.98621	53.5
117.97591	1.2
122.06031	8.0
123.04421	2.7
125.02354	14.4
128.03502	1.1
134.80635	1.1
134.99667	17.9
138.05464	1.3
140.00221	1.2
140.03387	2.7
140.04277	5.6
140.07066	11.9
140.10684	3.8
140.12642	1.9
141.01819	3.9
141.05438	1.3
148.96181	2.1
153.00681	1.1
153.37364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0547
Annotation	2,4,5-Trihydroxytoluene
Peak:m/z	Relative Intensity
53.03940	1.1
54.69835	1.0
55.01854	1.1
55.05502	1.4
57.03427	4.5
57.03694	1.1
57.07072	2.4
58.34085	1.1
59.05013	1.0
59.72614	1.0
65.03664	1.3
65.03947	14.9
67.01853	1.4
67.05507	100.0
67.23920	1.2
67.93558	4.1
67.96913	1.0
68.99797	1.2
69.07055	1.5
70.06568	1.1
70.13543	4.3
70.36986	1.1
71.04992	5.8
74.13834	0.9
79.05510	1.6
81.03406	1.6
81.07072	5.1
83.05006	1.2
84.28352	1.0
85.04006	1.9
85.06540	13.7
95.01361	2.6
95.04376	2.0
95.04972	35.4
95.08610	3.2
97.02871	1.7
98.97593	1.7
109.02859	1.5
113.02375	16.0
113.06013	14.3
115.05422	2.6
118.96746	1.8
123.04463	1.8
123.06264	1.1
123.08099	1.5
139.73796	1.0
141.01830	14.5
141.05492	23.0
141.06883	3.1
141.09166	1.4
142.08667	1.7
154.37793	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24641	4.4
58.54480	4.8
70.92176	6.8
73.12984	4.5
82.99857	9.9
84.62346	4.8
86.91998	4.5
100.97173	9.5
101.00891	67.5
119.01944	100.0
133.98195	5.6
137.02971	12.3
138.91629	4.7
139.01852	4.3
141.38010	5.4
142.03502	17.8
152.18549	5.0
160.04594	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.2
56.96568	4.9
58.97128	2.1
68.05028	2.7
69.03426	2.4
70.24731	7.3
70.99857	7.0
73.02897	2.6
75.58773	1.8
81.04540	8.8
82.99838	8.7
95.06074	5.0
96.08120	3.8
97.07647	8.1
98.21408	2.6
98.97601	3.4
100.02473	5.2
100.97211	3.0
101.00888	65.5
101.02598	2.2
102.02238	3.3
102.69365	1.8
119.01929	100.0
137.02957	14.2
142.03497	14.7
142.08636	3.0
142.12299	4.3
143.01848	2.7
143.03423	6.8
143.08191	3.6
149.24467	2.0
160.04602	3.0
161.02943	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	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45233	4.0
56.96562	5.0
66.70748	4.1
70.01268	18.1
82.99843	7.7
94.39603	4.5
100.02528	5.6
100.98039	7.1
101.00885	64.2
119.01926	100.0
137.02988	14.6
142.03535	14.6
143.03435	6.4
162.14278	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	142.0864
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
53.03950	1.8
55.01861	5.1
55.05504	5.4
57.03436	1.4
58.06603	7.5
59.93104	4.8
68.05029	2.2
69.03428	17.5
69.07074	15.3
70.06580	2.0
70.84640	1.0
71.01345	1.4
71.04972	3.2
71.08635	66.4
71.50253	1.8
72.08150	7.0
74.47405	1.0
79.05490	4.7
81.05790	2.3
82.06608	1.1
82.61360	1.3
83.01336	2.4
83.08635	1.2
84.08128	1.7
92.58137	1.1
96.04491	2.4
96.08134	17.1
97.02898	21.6
97.06539	7.5
100.07644	1.7
101.46988	1.2
113.02402	1.6
114.09169	30.6
115.05427	1.7
116.56957	1.3
118.96748	9.1
119.01944	2.7
124.03949	1.7
124.07597	3.1
125.02348	17.4
125.06001	2.8
126.12813	1.3
133.44115	1.1
142.02197	2.1
142.04991	3.3
142.08644	19.0
142.12276	2.6
143.03403	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.05515	0.8
56.05031	0.7
56.96571	7.3
57.03427	1.7
58.06603	8.2
58.99861	2.0
60.95151	1.0
61.02913	1.3
63.23576	0.6
68.00268	0.7
68.05004	1.1
69.03423	0.6
70.06599	1.2
70.10410	2.3
70.98146	3.0
70.98452	0.6
70.99861	8.3
71.04995	0.5
72.08159	22.1
75.01093	0.6
77.00889	2.2
81.04545	9.1
82.99852	7.0
84.08145	11.1
85.02885	0.8
86.68983	0.6
89.00883	5.1
95.06088	4.4
97.02927	0.9
97.07676	3.5
98.09702	1.3
98.21435	0.8
98.97581	4.4
99.04422	0.6
101.00886	65.6
101.06031	0.6
101.99744	0.7
102.00935	3.1
102.05543	1.4
103.02448	1.3
110.97552	0.6
115.02425	1.0
116.98669	1.5
119.01926	100.0
119.51957	0.7
119.98809	0.8
120.01981	3.8
121.03477	0.6
124.02461	0.6
124.95419	1.2
125.07130	3.2
126.12802	9.1
128.87384	0.5
130.92676	0.6
133.03482	0.8
137.02965	9.8
142.03514	2.1
143.01921	5.0
143.03317	3.1
143.08159	2.4
144.10204	59.1
161.02969	5.4
161.04201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.05515	0.8
56.05031	0.7
56.96571	7.3
57.03427	1.7
58.06603	8.2
58.99861	2.0
60.95151	1.0
61.02913	1.3
63.23576	0.6
68.00268	0.7
68.05004	1.1
69.03423	0.6
70.06599	1.2
70.10410	2.3
70.98146	3.0
70.98452	0.6
70.99861	8.3
71.04995	0.5
72.08159	22.1
75.01093	0.6
77.00889	2.2
81.04545	9.1
82.99852	7.0
84.08145	11.1
85.02885	0.8
86.68983	0.6
89.00883	5.1
95.06088	4.4
97.02927	0.9
97.07676	3.5
98.09702	1.3
98.21435	0.8
98.97581	4.4
99.04422	0.6
101.00886	65.6
101.06031	0.6
101.99744	0.7
102.00935	3.1
102.05543	1.4
103.02448	1.3
110.97552	0.6
115.02425	1.0
116.98669	1.5
119.01926	100.0
119.51957	0.7
119.98809	0.8
120.01981	3.8
121.03477	0.6
124.02461	0.6
124.95419	1.2
125.07130	3.2
126.12802	9.1
128.87384	0.5
130.92676	0.6
133.03482	0.8
137.02965	9.8
142.03514	2.1
143.01921	5.0
143.03317	3.1
143.08159	2.4
144.10204	59.1
161.02969	5.4
161.04201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
55.05515	7.9
55.37117	0.9
56.05034	1.2
57.07083	5.9
59.05008	1.6
65.03944	1.0
67.05515	5.6
69.03436	18.9
69.07071	2.4
70.04928	4.5
71.04996	41.7
72.08152	3.6
73.06551	4.2
79.05482	1.3
81.07070	1.1
83.01349	1.5
83.04987	6.4
83.08611	3.0
85.02900	2.4
85.06550	14.9
91.05480	1.7
92.36864	0.8
97.02305	1.1
97.02906	18.9
97.10160	3.2
98.06071	3.3
101.00873	1.0
107.08611	11.1
115.05470	2.0
125.02356	14.7
125.09639	5.0
126.12813	1.4
128.06233	9.0
138.93170	0.9
142.24306	0.9
143.03403	100.0
143.08589	3.4
144.03703	1.7
144.06616	1.6
144.08000	1.4
148.09081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
55.05515	7.9
55.37117	0.9
56.05034	1.2
57.07083	5.9
59.05008	1.6
65.03944	1.0
67.05515	5.6
69.03436	18.9
69.07071	2.4
70.04928	4.5
71.04996	41.7
72.08152	3.6
73.06551	4.2
79.05482	1.3
81.07070	1.1
83.01349	1.5
83.04987	6.4
83.08611	3.0
85.02900	2.4
85.06550	14.9
91.05480	1.7
92.36864	0.8
97.02305	1.1
97.02906	18.9
97.10160	3.2
98.06071	3.3
101.00873	1.0
107.08611	11.1
115.05470	2.0
125.02356	14.7
125.09639	5.0
126.12813	1.4
128.06233	9.0
138.93170	0.9
142.24306	0.9
143.03403	100.0
143.08589	3.4
144.03703	1.7
144.06616	1.6
144.08000	1.4
148.09081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28403	0.7
53.03935	0.9
55.01886	4.0
55.05519	9.2
56.05031	1.9
57.07087	6.4
59.04994	2.7
65.03934	0.8
67.05499	4.3
67.52955	0.7
69.03094	1.2
69.03437	17.1
69.07063	1.6
71.01348	1.3
71.04999	34.3
72.08160	11.7
73.06564	4.3
79.05499	3.0
81.07060	1.9
83.01340	1.6
83.04990	4.5
83.08633	4.0
85.02893	2.5
85.06552	14.0
91.05485	1.6
97.02904	19.6
97.10197	6.0
98.06055	1.9
98.20908	5.1
98.21614	1.6
101.95039	2.5
105.07017	1.3
107.08607	12.2
111.74358	0.7
115.05462	2.1
119.01919	1.3
121.00803	0.8
125.02358	13.8
125.09652	8.1
126.12812	5.1
128.06245	8.7
143.03407	100.0
143.08543	2.3
143.10670	2.0
144.03780	1.1
144.06624	1.1
144.08116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.2
55.05516	8.6
56.05012	1.0
57.03424	1.2
57.07072	7.8
59.05001	2.2
66.31738	1.0
67.05511	6.2
69.03084	1.7
69.03435	20.5
69.07050	1.4
70.06566	1.3
71.01348	1.5
71.04997	40.7
71.50826	1.2
72.08144	3.1
73.06557	5.1
79.05490	3.0
81.07057	1.5
83.01320	1.2
83.04977	3.8
83.08607	3.8
85.02894	2.3
85.06081	1.6
85.06552	20.1
91.05417	1.1
97.02295	1.4
97.02893	19.3
97.10175	4.9
97.34525	1.2
98.06060	2.7
101.00831	1.3
101.95027	2.7
107.08598	12.9
115.05482	3.3
119.96055	1.4
125.02364	15.0
125.09615	7.3
126.12790	1.9
128.06221	11.6
139.01944	1.1
143.03403	100.0
143.08580	3.0
143.10701	3.3
144.03731	2.0
155.06146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.7
53.03946	0.8
55.01875	4.8
55.05515	5.5
56.05019	1.1
57.07077	5.7
59.04982	1.1
60.04517	0.7
67.05497	2.3
69.03091	1.1
69.03435	17.8
69.07085	1.1
70.06577	1.3
71.01355	1.8
71.04993	31.5
71.42745	0.9
71.43085	0.8
72.08160	7.1
73.06541	2.7
79.05497	2.1
81.07047	1.1
83.01357	1.3
83.04987	4.0
83.08622	2.9
84.08178	0.8
85.02902	2.4
85.06546	11.3
91.05482	1.1
97.02892	19.3
97.06536	1.0
97.10160	3.4
98.06041	2.4
98.09746	0.8
100.29695	0.7
101.00877	1.4
101.95041	2.3
102.05541	1.0
107.08598	9.8
115.05453	3.7
119.01925	2.5
119.96030	0.7
125.02362	14.1
125.09610	5.4
126.12787	2.6
128.06233	12.2
139.01765	1.3
143.03398	100.0
143.08553	3.1
143.10657	1.4
144.03749	2.4
144.06523	1.1
162.75191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
55.05515	7.9
55.37117	0.9
56.05034	1.2
57.07083	5.9
59.05008	1.6
65.03944	1.0
67.05515	5.6
69.03436	18.9
69.07071	2.4
70.04928	4.5
71.04996	41.7
72.08152	3.6
73.06551	4.2
79.05482	1.3
81.07070	1.1
83.01349	1.5
83.04987	6.4
83.08611	3.0
85.02900	2.4
85.06550	14.9
91.05480	1.7
92.36864	0.8
97.02305	1.1
97.02906	18.9
97.10160	3.2
98.06071	3.3
101.00873	1.0
107.08611	11.1
115.05470	2.0
125.02356	14.7
125.09639	5.0
126.12813	1.4
128.06233	9.0
138.93170	0.9
142.24306	0.9
143.03403	100.0
143.08589	3.4
144.03703	1.7
144.06616	1.6
144.08000	1.4
148.09081	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1021
Annotation	D-proline betaine
Peak:m/z	Relative Intensity
53.03957	0.3
55.01867	0.6
55.05501	1.0
56.05022	0.5
56.96300	0.4
56.96565	5.3
57.03440	1.3
58.06603	15.9
61.02915	0.9
68.43206	0.2
69.03421	1.0
70.06603	1.6
70.98117	1.3
71.04987	0.7
71.07384	0.4
71.95269	0.3
71.99945	0.5
72.08154	1.4
72.96067	0.3
73.08487	0.4
74.06066	0.3
81.03407	0.5
83.00800	0.5
83.01344	0.3
83.05010	0.4
83.99910	0.3
84.04517	1.3
84.08147	19.8
84.21355	0.3
84.96014	0.5
85.02904	1.7
94.06557	0.3
95.01337	0.4
97.02903	0.4
98.01294	0.6
98.06075	0.8
98.07267	0.3
98.09696	4.3
98.97594	2.7
99.04465	1.1
100.02510	0.6
101.00891	1.6
101.07123	0.3
102.00951	2.5
102.05538	2.2
102.96867	1.8
103.00629	0.9
104.01254	0.3
106.52533	0.3
110.97582	0.6
113.00881	0.3
116.98648	0.6
119.01940	1.9
120.02014	4.0
120.97928	0.5
121.01685	1.7
124.95467	0.4
128.98607	0.4
131.01859	0.3
138.03004	0.5
142.96555	0.6
144.05040	0.8
144.10202	100.0
145.10562	2.0
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	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03951	12.6
55.01877	19.9
57.03428	4.9
58.21807	1.6
62.92992	4.2
69.03432	100.0
69.17082	1.7
69.76098	6.8
71.04991	15.9
73.77225	1.9
81.03410	9.5
83.01348	28.5
83.04991	3.4
85.02922	9.1
90.78496	1.9
91.05486	4.5
94.83757	1.7
97.02896	25.9
98.21466	3.4
99.04459	36.0
103.05469	4.8
105.07025	9.9
109.02854	3.9
115.03941	9.5
115.05463	10.1
117.07001	23.0
121.96652	4.9
127.03909	16.1
127.05443	2.2
130.07784	6.4
143.08592	2.5
145.04947	11.3
145.06480	25.8
145.10143	13.1
155.06030	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	145.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.8
53.03939	3.4
55.01866	2.2
57.03436	1.4
61.76867	0.7
62.92991	6.9
67.05505	10.2
69.03416	1.1
70.82944	2.1
71.05004	8.0
73.61260	0.8
79.05491	6.0
81.03396	3.2
85.02898	3.6
86.06114	1.0
91.05485	28.0
97.02890	2.4
99.03850	1.5
99.04461	19.6
100.07605	1.2
101.02382	1.0
103.05470	5.6
105.07038	67.9
106.36483	0.9
115.05462	15.4
116.06295	6.8
117.07027	73.1
118.06583	1.5
118.07374	1.5
121.96645	9.5
127.03936	3.7
128.06226	7.6
129.07024	12.9
130.07793	42.2
131.08119	1.6
143.08565	9.5
145.06502	2.7
145.10132	100.0
146.05992	1.8
146.10461	2.7
164.94273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01868	2.3
55.80112	0.8
57.03426	1.8
62.92989	9.0
65.03939	1.6
67.05518	10.6
69.03448	1.8
71.01348	1.3
71.04998	10.9
78.81072	0.9
79.05497	5.1
81.03411	3.4
82.05887	0.9
82.06593	1.8
85.02915	5.8
86.06094	1.3
87.04445	1.0
91.05489	28.6
95.04958	0.9
97.02894	1.7
98.06076	0.9
99.04463	26.0
100.07622	2.4
103.05471	4.8
105.07041	68.4
106.07387	1.2
106.32601	0.8
110.05591	0.8
112.00581	0.9
115.05469	17.5
115.09014	0.8
116.06236	6.9
117.07029	74.7
118.06577	1.6
118.07412	2.2
121.96637	12.6
124.46654	0.9
125.16994	0.8
127.03930	3.6
128.06212	7.2
128.08411	0.8
128.82133	0.9
129.07031	10.5
130.07800	39.9
143.08582	10.6
144.98236	1.2
145.03868	1.0
145.04959	2.1
145.06578	1.9
145.10136	100.0
146.06036	1.8
146.10478	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
64.56902	0.5
65.03929	2.4
69.00082	0.6
71.47463	1.2
72.08152	4.7
84.04536	0.7
84.08147	1.0
86.06087	0.6
91.05485	41.5
99.04481	0.8
100.04790	2.0
100.07631	0.7
112.11267	1.1
117.05756	4.8
118.06547	100.0
119.04945	14.7
119.06805	2.8
128.04962	1.6
128.07074	0.6
146.06021	16.7
147.04414	5.1
147.06264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1653
Annotation	Spermidine
Peak:m/z	Relative Intensity
50.76322	0.4
53.03945	0.6
54.04300	0.5
55.05513	1.9
56.96569	11.8
57.03434	0.8
58.06605	8.8
61.02937	0.5
65.03953	1.0
69.03432	2.3
69.69808	1.3
69.70218	1.2
70.98135	0.5
71.04994	1.1
72.05336	0.9
72.08157	100.0
72.93795	0.7
73.06539	0.7
73.08500	1.7
75.09246	3.5
81.03397	1.1
82.06591	0.9
83.00783	0.6
83.02586	0.7
84.08150	16.4
85.02917	2.0
86.03271	0.6
86.06047	0.9
87.04475	0.9
91.05485	11.8
92.02989	0.7
97.02893	1.5
97.03461	0.4
98.97585	6.5
99.04476	1.2
100.04779	2.2
100.07615	1.1
104.90853	1.4
107.04955	4.4
110.06039	0.5
110.97594	0.9
112.07661	0.6
112.11249	23.0
112.19511	0.4
116.02879	0.4
116.98613	2.2
118.06539	0.8
119.01894	0.9
119.04942	11.4
119.89508	0.6
119.97321	2.5
120.19212	0.4
127.00644	0.4
128.97859	2.1
128.98698	0.6
129.13921	2.5
137.98386	1.0
145.92267	0.5
146.06070	2.2
146.08163	0.8
146.16589	1.6
146.91866	1.5
147.03253	1.6
147.04457	4.2
158.99643	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	10.6
69.97794	2.1
72.52285	0.5
77.81230	0.4
88.27936	0.5
91.05486	100.0
92.05844	2.2
92.23991	0.5
102.04716	0.5
105.07042	1.1
109.18427	0.4
115.29253	0.5
117.07029	0.5
117.66132	0.4
119.04948	92.7
119.08607	1.3
119.94989	0.5
120.05294	1.5
147.04419	33.3
148.04752	0.8
149.31706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93094	0.4
55.01853	0.4
56.05017	0.4
59.42792	0.3
64.48977	0.4
64.92796	0.4
65.03946	11.0
71.35089	0.7
84.04523	3.1
84.08159	1.2
91.05488	100.0
92.05824	1.9
94.21197	0.4
101.17893	0.4
103.05474	0.4
103.45672	0.5
105.07041	1.5
119.04949	86.7
120.05299	1.3
120.08096	0.6
130.05014	0.7
147.04424	34.4
147.09192	0.9
148.04794	0.5
148.07600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
60.80284	0.5
65.03947	11.3
70.12573	2.1
84.04491	0.7
84.08150	1.3
91.05489	100.0
92.05825	1.7
95.05019	0.7
103.05495	1.3
105.07037	2.3
112.03764	0.4
119.04953	66.8
119.08598	2.5
120.05285	1.6
147.04424	27.1
147.08011	0.6
147.11711	1.1
148.04810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.113
Annotation	2,5-diaminohexanoic acid
Peak:m/z	Relative Intensity
55.01875	1.0
56.05032	3.5
56.96570	9.4
57.03436	2.0
61.02931	0.8
63.68618	0.4
64.92825	0.5
65.03943	2.6
67.05499	1.7
68.00256	0.6
69.03438	2.1
69.71297	0.4
69.72987	0.5
70.03554	0.8
70.03915	1.6
72.93793	1.1
73.02908	1.4
74.00266	0.6
74.06069	1.1
75.01035	1.4
80.00235	0.8
82.01450	0.5
83.00797	0.8
84.01574	3.5
84.03985	0.5
84.04508	26.7
84.08147	100.0
85.02913	1.8
85.06535	0.6
85.08494	1.9
87.04477	0.5
88.04796	0.6
89.00795	0.7
91.05487	26.2
93.02072	0.9
96.01550	0.8
97.02883	0.9
98.97588	2.7
99.04475	0.8
100.02526	1.1
101.00819	0.7
102.05550	1.5
103.02411	0.7
103.05499	0.5
104.90841	0.5
104.96389	0.5
105.02083	0.5
110.01294	0.5
111.02090	0.7
112.99122	0.6
115.02411	0.5
119.01851	2.6
119.04948	25.9
120.05228	0.6
123.96494	0.4
128.62347	0.4
130.04996	4.9
130.08647	10.1
131.00183	3.1
132.95822	0.8
133.03532	0.9
134.00545	1.1
134.01614	0.4
146.91875	0.4
147.04419	9.2
147.05534	0.6
147.11372	0.5
149.01230	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	147.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
56.05032	3.5
56.96570	9.4
57.03436	2.0
61.02931	0.8
63.68618	0.4
64.92825	0.5
65.03943	2.6
67.05499	1.7
68.00256	0.6
69.03438	2.1
69.71297	0.4
69.72987	0.5
70.03554	0.8
70.03915	1.6
72.93793	1.1
73.02908	1.4
74.00266	0.6
74.06069	1.1
75.01035	1.4
80.00235	0.8
82.01450	0.5
83.00797	0.8
84.01574	3.5
84.03985	0.5
84.04508	26.7
84.08147	100.0
85.02913	1.8
85.06535	0.6
85.08494	1.9
87.04477	0.5
88.04796	0.6
89.00795	0.7
91.05487	26.2
93.02072	0.9
96.01550	0.8
97.02883	0.9
98.97588	2.7
99.04475	0.8
100.02526	1.1
101.00819	0.7
102.05550	1.5
103.02411	0.7
103.05499	0.5
104.90841	0.5
104.96389	0.5
105.02083	0.5
110.01294	0.5
111.02090	0.7
112.99122	0.6
115.02411	0.5
119.01851	2.6
119.04948	25.9
120.05228	0.6
123.96494	0.4
128.62347	0.4
130.04996	4.9
130.08647	10.1
131.00183	3.1
132.95822	0.8
133.03532	0.9
134.00545	1.1
134.01614	0.4
146.91875	0.4
147.04419	9.2
147.05534	0.6
147.11372	0.5
149.01230	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	149.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.4
57.50284	0.5
61.48280	0.6
65.03947	51.7
66.04274	0.8
69.71775	1.3
69.72179	2.3
80.02623	1.4
81.02438	0.5
84.51794	0.6
93.03414	10.7
98.03690	1.8
111.04468	5.7
118.13586	0.6
121.02877	57.4
121.03982	21.4
143.70631	0.5
149.02357	100.0
150.02704	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02372	1.2
53.03949	5.9
54.62049	0.8
55.01862	3.4
56.96304	0.9
56.96569	9.8
58.06594	1.0
62.13288	0.9
65.03944	47.9
67.05497	1.4
71.00294	1.5
71.00649	0.9
72.80185	0.7
77.03924	2.2
78.04699	1.9
79.01868	0.8
79.05497	41.3
80.02624	1.7
80.05851	0.9
81.03407	1.1
81.07034	1.2
83.04964	0.9
91.05486	25.3
92.05801	1.2
93.03403	11.0
93.07050	33.4
93.44882	0.8
94.06561	3.0
94.76558	0.7
95.04969	6.2
96.62181	0.8
98.03709	1.7
100.99114	1.1
102.03362	3.2
103.05473	100.0
104.05817	2.9
105.04513	3.1
105.07025	2.3
106.04187	1.2
106.06520	0.9
107.04960	23.0
110.91090	0.8
111.04473	7.5
121.02868	49.3
121.03980	18.1
121.06509	51.9
122.03222	1.9
122.06833	1.3
123.07894	1.0
124.04623	1.0
131.02426	0.9
131.04918	6.0
134.03639	0.9
149.02351	90.6
149.05966	14.0
149.07095	1.2
149.10698	1.6
150.02666	2.3
150.05539	1.2
150.07802	1.0
169.03543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03939	7.1
55.01882	2.1
55.05510	2.9
59.54415	2.0
60.18002	1.9
65.03929	8.9
67.05474	2.6
69.03451	5.0
70.95664	4.5
74.12421	2.0
79.05501	21.8
82.87000	2.0
86.13598	1.8
91.05482	72.8
93.07042	33.7
95.04976	3.4
102.84163	2.1
103.05505	12.2
105.07037	49.9
106.07844	4.9
109.06516	6.4
115.05470	9.7
116.06253	31.3
119.08605	10.5
121.02881	8.6
121.06519	22.7
121.10160	44.4
123.08056	6.1
129.07002	7.5
131.08560	28.2
133.06570	2.5
133.07593	5.4
134.07257	5.6
147.08081	3.9
149.02367	14.2
149.09633	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01873	1.7
55.05503	4.3
57.07071	2.5
59.84322	1.0
62.09170	1.1
65.03946	49.3
66.04263	1.8
67.05494	1.3
67.07869	1.0
69.03419	1.2
69.07071	5.0
71.06385	3.0
77.03917	2.0
79.05494	11.4
80.02643	1.4
81.07069	3.0
87.47030	1.1
89.03908	3.6
91.05489	19.4
93.03420	9.0
93.07051	20.9
95.04983	2.2
98.03646	1.3
103.05482	6.1
105.07041	31.4
106.04192	2.3
106.07838	1.8
107.08604	30.0
108.04424	1.2
111.04430	5.3
119.06068	2.1
119.08584	9.4
121.02006	2.6
121.02876	55.9
121.03985	20.2
121.06517	5.2
121.10154	71.1
122.03245	1.4
122.10504	2.2
123.08079	4.2
131.08536	1.2
133.07602	3.3
133.10187	2.0
134.10921	2.3
149.02354	100.0
149.05997	3.6
149.09636	6.3
149.13284	13.1
150.02777	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03943	2.9
55.01861	2.6
55.05500	4.4
65.03945	50.0
67.02980	3.9
67.05497	3.4
68.05016	1.5
69.07068	9.3
78.44032	0.8
79.05499	12.6
80.04991	1.8
81.04536	2.8
81.07068	20.4
91.05478	13.9
93.03410	8.0
93.07053	54.7
95.04974	3.0
95.06137	1.7
95.08606	4.4
98.03673	2.6
105.03459	1.3
105.04498	1.4
105.07038	4.5
107.06084	2.8
107.08604	26.4
108.05623	2.2
108.06862	3.0
109.06480	1.6
109.07627	1.6
110.08425	2.4
111.04460	6.8
115.26980	1.1
121.02876	56.0
121.03986	21.3
121.06464	1.2
121.07630	2.1
121.10161	12.4
122.07163	11.1
140.08215	2.5
149.02357	100.0
149.08237	14.2
149.09541	2.0
149.10649	6.0
149.13258	19.9
150.02696	1.6
150.09204	1.5
150.10284	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
51.02387	1.5
53.03937	2.8
55.01875	2.2
55.05500	3.7
56.16219	0.9
57.07072	2.1
59.96904	0.8
65.03943	54.6
66.04274	1.6
67.05495	2.0
67.25579	0.9
69.07069	6.7
70.76121	2.2
77.03938	1.5
78.04707	2.1
79.05503	11.7
80.02644	1.0
81.07056	2.6
89.03912	8.1
89.30495	1.0
91.05486	18.9
92.05831	1.2
93.03394	10.0
93.07047	18.8
95.04957	2.4
98.03651	1.3
103.05454	5.8
105.04489	1.5
105.07029	22.4
106.04195	1.1
107.04954	2.4
107.08604	36.4
109.06548	1.3
111.04436	6.9
113.04082	0.9
117.03372	3.0
119.08609	6.6
120.09382	1.8
120.65187	0.9
121.02871	59.7
121.03979	20.1
121.06499	4.5
121.10148	36.4
121.11041	1.2
122.03198	1.5
123.08073	3.0
131.08630	1.3
133.07620	1.5
133.10123	1.5
134.03606	1.9
134.10913	2.2
149.02350	100.0
149.05998	5.1
149.09633	2.3
149.13281	8.6
150.02708	2.8
161.17984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.46652	0.8
53.03935	3.7
55.01865	2.7
55.05500	4.0
57.07061	3.0
65.03941	58.2
67.05508	1.2
69.07059	5.8
70.31229	3.6
70.31590	1.4
73.04785	1.0
77.03898	1.3
77.51887	0.9
78.04711	1.4
79.05489	14.7
80.02631	1.6
81.07050	4.0
85.52880	1.0
89.03898	1.2
91.05474	22.8
93.03400	10.3
93.06478	1.9
93.07044	26.3
95.04951	2.2
95.08611	1.2
98.03680	2.4
103.05496	4.4
105.04519	1.3
105.06316	1.5
105.07031	37.9
106.07833	2.4
107.08595	40.6
109.06522	2.6
111.04440	6.2
116.06178	1.1
119.06064	1.9
119.08583	11.4
120.09354	2.4
121.02866	56.1
121.03978	19.9
121.06503	3.7
121.10143	93.6
122.03181	1.4
122.10484	2.9
123.08063	4.1
124.65086	0.9
131.04921	1.8
131.08614	1.3
133.07582	4.4
133.10153	1.9
134.10861	2.9
149.02344	100.0
149.05978	3.6
149.09624	10.2
149.13266	11.2
150.02681	1.8
151.02415	4.4
163.30823	0.9
167.05585	1.2
168.01640	0.9
168.87901	0.9
169.03473	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	149.1327
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03939	6.1
55.01873	2.9
55.05516	8.0
57.07077	5.6
61.01158	1.8
64.00205	1.3
65.03621	2.5
65.03947	48.0
66.04259	2.0
69.07082	11.1
71.20603	3.0
72.04494	2.0
72.25235	1.4
73.63749	1.5
76.03760	1.4
78.03781	2.5
79.05495	22.7
81.07047	4.9
91.05492	33.2
93.03410	11.0
93.06485	2.6
93.07051	42.4
95.04980	1.9
95.08606	1.8
98.03696	2.2
100.68665	1.4
102.03785	2.1
102.20574	1.6
103.05517	7.6
105.07043	42.7
107.04957	6.1
107.08605	73.6
109.06519	3.9
109.35994	1.4
111.04456	4.7
115.45229	1.7
119.06106	3.0
119.08601	11.9
120.09399	1.9
121.02873	60.3
121.03986	19.4
121.06522	7.0
121.10154	71.3
123.08042	3.8
131.04959	2.1
133.07635	4.0
134.10921	2.8
149.02356	100.0
149.06000	4.8
149.09708	1.7
149.10809	1.8
149.13263	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	151.0391
Annotation	Piperonal
Peak:m/z	Relative Intensity
50.01590	0.8
51.02363	1.3
51.94791	0.8
52.03163	1.1
53.03954	6.3
55.01879	7.1
55.05514	10.5
57.03431	0.9
65.03940	16.6
67.05510	21.1
68.99773	0.8
69.07066	1.2
69.41001	6.0
71.01351	1.0
77.03932	2.8
79.05487	3.3
80.02654	1.8
80.05024	0.8
81.03427	1.5
81.07071	7.4
83.04955	0.9
85.02888	1.0
87.00866	0.8
87.98479	0.7
91.05488	11.7
93.03396	0.8
93.07027	2.4
95.01321	1.3
95.04969	14.4
95.08601	2.9
97.06522	2.0
98.21548	1.4
98.64149	0.7
105.03381	1.1
105.04506	1.9
105.07019	5.8
106.06504	0.9
107.08582	3.5
108.02103	21.3
109.06529	6.4
109.10178	4.6
111.04443	3.3
112.01567	1.4
119.04942	5.2
121.03996	2.3
121.10139	0.9
123.04431	14.1
123.08057	2.4
123.11717	2.3
124.03976	1.0
133.10149	2.5
134.05946	0.9
136.01549	3.1
136.05177	1.3
137.68478	0.8
141.05492	9.5
151.03906	100.0
151.05049	44.6
151.07535	5.7
151.08662	1.8
151.11203	4.6
152.04266	2.4
152.07048	1.4
153.65219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02372	1.6
53.03953	6.1
55.01878	7.1
55.05517	11.1
55.34299	1.0
57.03428	1.4
57.07062	1.8
59.05000	1.2
65.03943	14.8
67.05505	30.0
68.99802	1.1
69.03410	2.9
69.07063	6.3
69.97028	4.2
70.98111	1.0
71.04971	1.0
72.75423	0.9
77.03926	2.6
79.05505	9.9
80.02621	2.6
81.03413	3.9
81.07058	28.8
83.04974	2.1
91.05485	23.6
91.38866	1.3
91.46297	0.9
93.03417	1.7
93.07050	12.0
95.01339	1.7
95.04972	21.8
95.08609	10.0
96.04503	1.0
97.06512	1.1
103.05452	1.9
105.03416	2.2
105.04505	3.6
105.07036	17.2
106.06555	1.9
107.04963	1.8
107.08604	13.4
108.02094	21.1
108.05739	1.8
109.02897	1.1
109.06521	14.3
109.10160	18.1
111.04445	2.3
112.01560	1.0
119.04925	8.2
121.04007	1.8
121.10167	4.5
123.04434	49.8
123.08077	9.0
123.08914	1.5
123.11706	11.7
124.03981	1.5
124.07584	1.3
133.02808	1.0
133.06514	1.6
133.10123	7.7
134.05994	1.7
135.03015	1.6
136.01561	2.0
136.05190	1.1
141.05458	7.7
141.11020	0.9
151.02974	3.8
151.03905	100.0
151.05049	36.2
151.07545	11.3
151.08664	3.6
151.11211	17.6
152.04346	2.0
152.05652	2.7
152.07079	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	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.43861	1.9
52.69073	2.0
53.03943	11.8
55.01881	9.9
55.05518	39.9
57.03432	6.5
57.07076	4.2
59.05005	10.1
62.65512	1.8
63.56863	2.1
65.03940	15.0
67.01875	21.5
67.05514	61.3
68.99793	6.2
69.03439	18.5
69.07075	23.3
70.66072	4.4
71.04983	4.4
77.03931	2.7
79.05503	32.7
81.03433	7.6
81.07062	100.0
83.05002	9.6
91.05489	58.6
93.07052	40.5
95.01321	2.8
95.04964	48.2
95.08614	30.3
97.06532	3.7
103.05453	3.1
105.03410	5.9
105.04517	3.5
105.07044	53.1
106.06566	5.0
107.04975	5.8
107.08591	30.8
108.02115	5.1
108.05757	4.9
109.06522	64.9
109.10169	48.2
119.04951	16.1
121.06519	4.4
121.10142	15.9
123.03550	3.8
123.04436	99.7
123.08068	23.6
123.11719	36.2
124.03960	4.0
131.08574	3.1
133.06534	5.4
133.10162	28.9
136.08818	2.9
151.02827	9.9
151.03928	70.2
151.05042	8.5
151.07552	30.9
151.08656	5.1
151.11200	67.3
152.07036	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	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03949	6.8
55.01868	10.8
55.05520	13.1
57.03430	2.3
57.07085	16.0
59.04721	2.7
59.05005	42.7
65.03931	6.1
67.05507	51.5
69.03432	24.1
69.07072	13.1
69.42098	11.2
71.04980	4.7
77.03893	2.8
79.05499	20.7
80.05033	1.8
81.03430	4.3
81.07059	72.6
83.04976	5.0
83.08622	1.5
83.33556	1.4
91.05480	26.3
93.07047	48.6
95.01291	1.9
95.04980	27.6
95.08610	61.0
97.06541	1.7
103.05441	2.1
105.04501	3.0
105.07039	36.4
106.06582	1.6
107.04964	2.0
107.08604	27.9
108.02076	4.9
109.02887	1.9
109.06519	40.5
109.10162	100.0
110.10457	1.9
111.04389	1.4
119.04963	4.4
120.90043	1.5
121.06492	2.2
121.10158	2.8
123.04437	16.4
123.08085	16.5
123.11703	30.6
124.03933	2.2
131.08556	5.3
133.10139	38.0
134.06026	1.9
136.08766	2.1
151.02852	3.2
151.03905	25.3
151.05038	7.2
151.07552	10.8
151.08594	2.5
151.11183	51.7
151.12375	3.2
151.14803	11.1
152.07080	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	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03956	1.2
55.01864	1.9
55.05514	3.3
57.03444	0.9
57.07076	1.0
59.05002	0.9
59.50846	0.5
65.03933	2.1
65.30287	0.5
67.05506	8.1
67.06100	0.4
69.03439	2.9
69.07059	2.0
71.02180	1.0
71.04996	0.6
79.05502	6.0
81.03426	0.9
81.04576	0.5
81.06595	1.0
81.07060	17.1
83.04981	0.8
88.45686	0.5
91.05476	5.6
93.07042	6.3
95.04964	5.1
95.08611	5.9
97.06520	1.4
105.03410	0.6
105.07037	12.1
107.04962	0.7
107.08598	6.5
108.02098	1.1
108.05756	0.8
109.06523	14.7
109.10157	10.7
117.42171	0.6
119.04902	1.1
119.06088	0.7
119.08608	0.7
121.06515	0.8
121.10143	1.7
123.03561	0.5
123.04427	2.4
123.08092	5.6
123.11710	5.3
133.10130	5.0
136.08852	2.0
151.02798	1.3
151.03909	4.4
151.04997	0.9
151.07698	2.6
151.11186	100.0
152.07054	1.2
152.11516	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0548
Annotation	Vanillin
Peak:m/z	Relative Intensity
59.87838	0.4
65.03944	78.3
66.04276	1.0
66.31034	0.4
70.80058	1.0
71.04999	0.4
79.05503	0.9
79.62686	0.4
81.07079	1.0
93.03411	100.0
93.07079	0.5
94.03738	1.3
97.06520	0.9
107.04989	0.6
107.08625	0.8
110.03675	10.1
111.04449	64.3
112.04763	0.9
115.25596	0.4
121.70804	0.4
125.06001	44.7
126.06321	0.8
134.06009	0.9
135.11588	0.6
153.04333	0.8
153.05486	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	153.0547
Annotation	Resorcinol monoacetate
Peak:m/z	Relative Intensity
50.01598	1.0
51.02385	0.8
53.03951	6.1
54.04729	1.7
55.01865	3.1
55.05521	4.4
57.07071	1.4
59.04990	2.1
65.03944	100.0
66.04259	1.0
67.05508	14.3
69.03428	2.9
69.07062	5.6
70.94270	8.9
70.95850	1.4
71.05001	8.6
71.24331	1.6
73.06558	4.4
75.33801	0.8
77.03931	1.7
79.05498	12.4
79.50777	0.8
81.03429	6.1
81.07063	25.6
82.04201	23.2
83.04973	3.2
83.08592	1.0
84.08143	1.2
88.95338	1.7
91.05494	4.6
92.02652	1.1
93.03410	31.8
93.07054	14.2
94.04186	1.2
95.01339	23.6
95.04979	8.7
95.08611	2.5
97.06536	7.3
98.05994	1.1
105.04504	3.3
105.07030	1.9
107.04953	4.4
107.08598	13.6
108.02113	16.3
109.06551	2.0
109.10170	2.4
110.03668	66.9
111.04453	42.8
111.08086	3.9
111.96887	4.6
113.51562	1.0
121.04025	1.8
121.06512	1.7
125.05998	52.7
125.09642	1.2
126.06322	1.0
129.97935	1.8
134.06026	2.2
135.04424	2.1
135.08087	1.1
135.11693	8.2
137.02348	2.7
138.03128	9.9
138.06761	1.4
150.46732	0.8
153.01865	1.6
153.04335	1.9
153.05487	26.2
153.06744	2.2
153.09093	5.4
153.10168	1.4
153.12756	3.8
154.04941	1.1
154.08643	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	153.1275
Annotation	Perillyl alcohol
Peak:m/z	Relative Intensity
53.03944	2.2
55.01869	2.3
55.05280	1.0
55.05517	12.5
57.03436	5.6
57.07070	3.9
59.04992	1.6
65.03947	11.3
66.60106	0.8
66.95544	0.8
67.05508	38.5
69.03418	3.3
69.07072	54.4
70.24331	3.6
70.94257	5.1
70.95865	1.9
71.04996	4.7
71.94110	1.2
71.95251	1.1
73.06561	1.8
79.05496	33.4
81.07063	46.0
83.04985	6.2
83.08620	6.8
83.41349	0.9
85.06537	2.0
88.95316	1.9
88.96332	0.8
88.96863	0.8
91.05481	5.9
93.03416	9.4
93.07050	49.7
95.04964	3.7
95.08617	22.1
97.06535	24.7
105.04498	1.0
105.07056	1.9
107.04959	4.9
107.08601	51.6
109.06517	1.6
109.10162	38.1
109.49680	0.9
110.03680	2.3
110.10476	1.3
111.03831	1.2
111.04463	13.6
111.08082	8.8
111.96882	5.3
112.04774	0.9
112.97919	0.8
125.06006	7.6
125.09664	1.0
126.06315	1.2
129.97923	1.6
133.10109	0.9
135.04414	1.4
135.06451	1.0
135.11700	100.0
136.12007	2.6
138.05110	1.2
152.06212	1.9
153.05557	6.5
153.07208	4.6
153.09169	1.8
153.12753	82.4
154.13127	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03936	3.5
54.52839	1.3
55.05518	13.7
56.73454	1.3
59.04998	6.8
65.03941	1.9
67.05515	6.2
69.07069	9.1
70.65354	3.3
70.65717	2.2
71.04997	33.9
73.06184	1.6
73.06561	21.9
75.67703	1.1
79.05070	2.0
79.05494	28.7
81.07059	100.0
82.73051	1.1
83.04984	2.7
83.08620	2.4
91.05479	7.7
93.07048	40.6
93.07632	2.7
95.04979	2.4
95.08601	6.1
97.06519	7.7
105.07066	2.4
107.07878	2.2
107.08601	38.0
109.10151	8.7
111.08076	5.8
117.91711	1.2
135.11711	21.0
144.57184	1.4
149.94704	1.1
153.12717	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03949	5.2
55.01859	1.6
55.05518	15.8
57.07079	2.2
59.05007	8.2
64.25098	1.2
65.03945	2.5
67.05499	5.9
67.92851	1.4
68.42844	1.5
69.07068	10.8
70.65512	1.7
70.65857	4.2
71.05000	33.7
73.06561	22.2
79.05496	30.1
81.07063	100.0
83.04990	3.0
83.08612	2.8
90.47743	1.4
91.05505	11.8
93.07050	43.5
95.01281	1.5
95.04962	2.4
95.08614	8.3
97.06523	9.4
105.07047	3.2
105.67931	1.4
107.04940	1.8
107.08598	36.9
109.10165	8.0
111.08087	4.8
119.08620	1.9
125.06009	3.7
135.11693	24.2
141.45934	1.4
153.12715	10.9
162.53632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00309	1.3
53.03941	4.7
53.39197	1.1
55.01871	1.5
55.05282	1.1
55.05518	18.8
57.03438	1.7
57.07067	2.9
59.05017	11.4
61.16775	1.2
65.03946	19.3
67.01889	1.5
67.05512	11.2
67.42413	1.2
68.96327	1.3
68.99789	2.3
69.03432	3.1
69.07076	15.9
69.67886	3.3
69.68295	3.7
70.94273	8.0
71.01345	2.1
71.05000	33.7
73.06565	20.6
77.03935	1.6
79.05499	36.5
81.07062	100.0
83.04988	7.3
83.08620	2.6
85.06539	1.7
87.98228	1.2
91.05488	13.8
93.03403	16.2
93.07053	46.8
95.01323	3.2
95.04953	12.9
95.08604	13.5
97.02876	1.7
97.06538	15.5
105.04491	2.0
105.07063	4.0
107.04976	7.8
107.08608	45.0
109.06515	4.9
109.10178	10.5
110.03674	12.9
111.04459	28.0
111.08065	9.8
111.96873	2.8
119.06022	1.2
119.08585	2.8
121.02882	39.8
125.06001	28.2
125.09631	2.2
135.04407	2.7
135.08060	3.4
135.11699	27.3
136.07538	3.4
153.01848	5.1
153.05507	14.7
153.07382	1.8
153.09096	4.6
153.12782	15.2
153.41301	1.3
154.04964	2.0
154.08646	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	153.1274
Annotation	(+)-trans-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03932	2.2
55.05508	13.9
57.03428	3.3
57.07059	1.4
59.04999	10.7
65.03611	2.7
65.03942	41.1
67.05180	2.3
67.05502	30.8
69.03440	7.7
69.07069	38.6
69.68288	5.7
69.68691	3.2
70.94247	4.1
71.05000	13.8
76.56290	1.5
79.05498	15.7
81.07063	27.3
83.04987	8.7
83.08635	9.0
91.05471	13.8
93.03410	45.4
93.07047	76.8
95.04968	5.0
95.08611	52.1
97.06535	81.8
98.20806	2.8
105.07026	3.3
107.08595	100.0
109.06520	2.3
109.10162	84.7
110.03660	5.9
110.10525	1.9
111.03713	3.1
111.04444	41.7
111.08080	9.2
111.96852	2.8
119.08578	2.8
125.05989	26.9
129.01331	1.7
135.11687	49.5
137.13498	1.5
153.01927	2.4
153.05475	10.3
153.09196	2.2
153.12752	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03944	6.8
55.05508	18.9
57.03424	3.6
57.07069	2.6
59.05010	9.9
65.03940	69.9
67.05510	20.1
69.03427	5.2
69.07073	19.5
69.27871	17.2
70.94254	9.1
71.04999	35.1
73.06551	20.7
79.05497	38.6
81.07059	100.0
82.07380	2.3
83.04991	7.4
83.08614	5.5
85.01314	1.8
85.06523	2.3
91.05491	20.1
93.03410	72.9
93.07047	87.4
95.04955	11.4
95.08606	34.9
97.06524	29.5
105.07023	6.5
107.04925	2.4
107.08600	94.8
109.06513	4.5
109.10160	27.6
110.03670	10.9
111.03714	4.5
111.04443	58.6
111.08079	10.8
111.96896	2.9
125.05994	44.7
126.50413	1.9
135.04399	2.2
135.08101	3.1
135.11702	53.0
135.12727	3.5
145.91010	2.4
153.01855	3.2
153.05457	21.5
153.06567	3.2
153.09047	3.3
153.12744	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00293	1.8
53.03941	3.5
55.05512	15.7
57.07072	1.4
59.05001	9.0
62.56517	1.3
65.03929	4.9
67.05499	7.4
68.11821	1.2
69.07079	11.1
70.89167	3.2
71.04995	36.2
73.06554	26.5
79.05499	29.4
79.05892	0.7
81.07059	100.0
83.08565	1.4
91.05493	9.5
93.03408	5.3
93.07047	41.1
95.04967	2.2
95.08601	7.8
97.06555	8.6
105.07005	2.1
107.08586	37.1
109.06579	1.5
109.10163	6.2
111.04449	2.6
111.08073	4.9
119.08598	1.7
125.06007	3.4
135.04373	1.5
135.11700	22.2
153.12756	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00307	1.6
53.03945	5.2
55.05512	13.7
59.04992	6.4
60.93208	1.5
64.27525	1.6
65.03939	10.9
67.05496	4.8
69.07072	11.2
70.94256	2.3
70.95954	4.1
71.04999	31.0
73.06559	21.3
79.05499	27.7
81.07063	100.0
82.07388	2.3
83.04990	3.0
86.74815	1.8
91.05479	9.3
93.03419	8.6
93.06493	2.4
93.07050	43.0
95.04938	3.1
95.08606	7.4
97.06535	10.2
102.67983	1.6
105.07040	2.4
107.04988	2.2
107.08598	35.8
109.06561	1.9
109.10137	6.1
110.03637	4.1
111.04450	10.3
111.08101	6.2
121.06509	1.8
125.05987	6.8
132.92377	2.2
135.11720	22.3
153.05449	5.5
153.09128	3.5
153.12752	12.2
154.06447	1.9
172.25864	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00307	1.9
53.03932	4.5
55.05508	13.6
56.78195	1.3
57.07068	1.5
58.27464	1.4
59.05009	9.8
65.03967	1.6
67.05491	5.9
69.07066	8.6
70.82629	3.9
71.04995	29.3
73.06561	21.4
79.05495	29.3
81.07057	100.0
83.04948	1.7
83.08604	2.2
85.72742	1.3
91.05480	10.3
93.06491	2.0
93.07050	40.8
95.08602	8.6
97.06536	9.3
105.07043	2.2
107.08603	35.0
108.08983	1.7
109.06519	1.6
109.10151	8.4
111.08055	4.3
114.60678	1.3
119.08508	2.1
135.10826	2.1
135.11708	20.1
153.12752	9.7
168.98485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1276
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03952	3.2
55.05511	14.0
57.03436	6.7
57.07073	6.6
58.30904	2.5
59.04992	12.2
59.42300	2.8
65.03614	4.4
65.03948	78.1
67.05521	16.4
69.03431	3.7
69.07074	25.5
70.94257	11.7
71.05003	29.2
71.30663	6.1
73.06560	24.8
79.05497	35.0
81.07063	100.0
83.04983	10.8
83.08610	4.8
91.05475	15.0
93.03412	69.9
93.07050	75.6
95.04975	46.4
95.08610	36.1
96.21483	2.7
97.06537	32.5
105.04556	3.1
105.07044	5.5
107.04973	6.0
107.08609	75.8
109.06523	12.9
109.10162	25.3
110.03640	7.2
110.16547	2.5
111.04458	71.7
111.08084	17.2
111.96848	3.0
115.86386	3.2
121.02871	16.7
121.06535	4.3
125.05997	40.9
135.04427	2.7
135.11697	41.1
153.01907	4.4
153.05537	21.9
153.09100	10.3
153.12781	29.4
154.05026	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	153.1275
Annotation	Junionone
Peak:m/z	Relative Intensity
52.23714	1.9
53.03939	2.8
55.01865	1.9
55.05512	29.4
57.03423	6.5
57.07078	5.0
59.05003	25.4
62.70171	2.3
65.03944	28.4
67.05509	33.1
69.03417	8.2
69.07071	78.1
70.39162	6.7
70.94244	7.1
71.05009	10.2
72.09387	1.7
73.06548	4.2
74.75087	1.9
79.05500	22.7
81.06593	4.3
81.07059	60.7
83.04995	15.8
83.08635	9.1
85.06544	5.9
89.04047	1.8
91.05476	12.5
93.03411	29.1
93.07047	72.2
95.04959	5.9
95.08611	80.3
97.06532	50.8
98.20798	2.1
105.07002	3.7
107.04989	3.2
107.08599	91.6
109.06478	2.8
109.10161	100.0
110.03666	6.1
111.04447	23.3
111.08057	9.9
111.11722	7.0
111.96884	2.3
119.08598	2.2
123.11708	4.8
125.05999	16.5
135.04497	2.3
135.10696	3.6
135.11696	55.2
153.05466	9.6
153.12752	95.5
154.13017	2.0
156.04329	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00287	2.2
53.03938	2.5
55.01873	1.9
55.05516	15.4
56.22014	1.6
57.07064	2.6
59.05014	9.8
65.03940	12.3
67.05499	7.2
69.03413	2.7
69.07076	13.5
70.35093	1.6
70.94241	3.7
71.04987	29.6
71.05338	2.2
71.05592	2.1
73.06561	21.8
77.01951	1.8
79.05067	2.5
79.05495	31.3
81.07061	100.0
83.04977	3.3
83.08630	2.5
91.05482	12.2
93.03406	9.3
93.07047	44.7
94.07307	1.6
95.08615	12.0
97.06541	10.0
105.07035	3.8
107.04959	2.4
107.08592	37.8
109.06508	2.2
109.10159	9.4
110.03648	4.1
111.04430	10.4
111.08083	4.5
118.45080	2.2
119.08557	1.8
125.05997	6.6
135.11688	22.9
139.03888	3.8
153.05475	5.7
153.09084	3.1
153.12755	13.1
154.06303	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.23380	1.9
51.00838	2.0
53.03937	3.0
54.55372	1.9
55.05511	18.1
56.11635	1.9
59.04986	6.7
61.27679	1.9
65.03916	4.4
67.05500	5.8
69.07065	12.7
70.94244	2.5
71.04993	33.4
73.06564	22.9
79.05496	24.6
81.07058	100.0
91.05472	10.9
93.07047	35.4
95.04977	4.8
95.08585	6.5
97.06518	10.1
98.20702	6.8
100.88946	2.0
105.06957	2.2
107.08594	37.2
109.10152	6.1
111.08062	6.5
118.55595	1.9
119.08591	2.7
125.06015	3.0
135.11690	23.5
153.12718	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	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01880	0.3
55.05515	4.3
56.05024	1.0
65.03935	0.5
67.05493	1.1
68.05025	0.5
68.05775	0.3
68.96321	0.6
69.02858	0.3
69.03421	0.8
69.07074	0.5
69.94077	1.2
70.06586	0.9
71.04972	0.3
72.93794	4.8
75.48853	0.3
76.91805	0.3
79.05492	2.1
80.05024	0.7
80.05817	0.7
81.07059	7.5
82.06581	1.3
82.07394	0.5
83.04970	0.7
83.07371	0.3
83.08627	1.2
84.08148	0.7
90.94822	0.7
91.05479	0.9
93.05785	0.8
94.07378	0.4
95.04954	0.7
95.08611	0.3
96.04485	0.8
96.05267	0.5
96.08103	0.5
97.05283	3.2
98.06070	3.1
98.09687	1.8
105.33932	0.3
107.08614	0.3
108.08126	3.0
108.08880	0.8
109.06533	5.3
109.10204	0.5
110.06055	3.8
110.06800	0.5
110.10506	0.4
111.04429	0.5
111.06838	4.3
112.04796	0.3
113.06047	0.3
113.96404	2.3
121.06596	0.4
124.07581	0.5
125.08371	0.9
126.05510	0.4
126.09164	3.4
130.96321	1.0
131.97432	0.7
135.65025	0.3
136.07584	1.1
136.12085	0.3
138.05556	0.3
139.03955	0.5
139.06293	4.9
139.07532	1.6
148.97368	1.0
152.07068	0.4
154.08635	100.0
155.07047	2.9
155.08975	1.9
172.99008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77593	1.3
56.96553	5.3
57.03446	1.9
70.18821	3.7
73.02908	1.6
74.09721	19.8
75.01037	1.6
76.89570	1.3
84.01553	4.0
85.01405	2.4
96.96912	2.8
98.20819	2.1
98.97549	1.9
100.02454	2.3
103.02427	3.9
105.02052	2.0
107.81036	1.3
110.07185	20.1
111.02087	2.2
112.05270	11.6
114.00952	2.3
115.00612	2.5
115.02431	4.5
119.01918	1.8
130.06319	19.7
131.00177	5.7
131.01907	2.1
132.01990	7.4
133.01660	6.2
133.03452	9.8
144.93265	1.4
149.01225	5.4
156.04222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.05530	0.5
56.25638	0.2
56.96570	18.4
57.03434	0.4
60.17023	0.2
67.05509	0.4
69.03432	0.8
69.47554	0.9
69.47984	0.6
70.06571	0.3
70.98115	1.0
71.95268	4.8
72.08159	2.0
73.02939	0.3
76.93382	0.7
79.59192	0.2
81.03423	0.4
82.99242	0.2
84.08153	1.3
84.96040	0.8
85.02912	0.6
91.05501	0.4
93.81836	0.2
97.02924	0.7
97.96810	0.4
98.97592	100.0
99.05598	0.6
99.97919	4.4
100.97219	0.2
100.99175	0.3
102.53138	0.6
106.01801	0.4
110.97581	0.4
111.53690	0.5
112.07616	0.9
113.96474	0.2
114.54788	0.2
116.98630	36.1
117.95997	0.5
117.98959	1.4
118.96760	0.6
119.01867	0.9
120.01563	0.3
128.00807	0.8
128.98674	0.2
129.10301	0.2
130.08679	0.8
131.00160	0.3
134.99669	8.5
135.95691	0.3
135.99997	0.3
136.99985	0.2
137.05991	2.4
140.00201	0.9
140.98647	0.6
141.01852	0.5
142.03442	0.4
143.01898	0.4
145.01723	0.4
146.99625	0.2
147.04425	0.6
149.06596	0.4
149.84654	0.2
153.00725	0.4
158.01180	0.2
158.99637	1.0
163.02744	0.2
173.01257	0.3
177.00713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38667	0.1
54.98640	0.3
55.05514	0.3
56.96566	19.1
57.03444	0.3
59.10217	0.1
67.05506	0.2
69.03430	0.5
69.86124	0.2
70.06600	0.3
70.65220	0.4
70.98124	0.5
71.04998	0.1
71.95264	4.9
72.08154	3.8
72.93797	0.3
73.02928	0.2
73.95683	0.3
76.93348	0.3
77.94128	0.2
81.03436	0.2
84.08149	1.1
84.96047	1.0
85.02897	0.3
86.09693	0.3
89.00769	0.2
91.05483	0.3
97.02901	0.5
97.96786	0.2
98.21508	0.2
98.97586	100.0
99.04419	0.2
99.11966	0.2
99.92532	0.2
99.97925	3.8
100.07606	0.2
100.97238	0.2
100.98007	0.2
101.00883	0.3
107.04956	0.3
110.97594	0.2
111.53656	0.3
112.07628	0.2
112.99108	0.4
113.02399	0.2
114.98312	0.2
115.05450	0.2
116.98623	42.6
117.95996	0.3
117.98965	1.8
118.96764	0.5
119.01875	0.1
126.12804	0.4
127.00282	0.3
128.00780	0.3
128.98610	0.3
129.10181	0.2
130.08627	0.3
130.96567	0.2
131.00107	0.2
131.04893	0.2
134.99660	10.9
135.95654	0.3
135.96846	0.2
136.00014	0.4
136.95465	0.2
138.55026	0.1
140.00201	0.9
140.98605	0.5
141.01849	0.4
145.58620	0.2
146.99489	0.2
149.06558	0.2
153.00694	0.6
153.96680	0.3
158.01381	0.4
158.99623	1.0
159.02934	0.3
159.04599	0.2
159.11684	0.2
161.03011	0.2
172.97812	0.2
177.00702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0919
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
53.15144	0.5
54.32170	0.4
56.05047	1.0
56.96567	7.3
56.98824	0.4
57.03439	0.5
57.92815	0.5
59.93132	1.4
60.04531	0.5
67.05508	0.8
69.03445	0.9
69.65754	2.7
71.01348	0.5
71.04994	2.9
71.93043	0.6
71.95276	2.0
72.08165	11.3
72.93810	0.6
73.95694	1.2
74.06092	1.1
76.93365	2.9
80.37247	0.5
81.03419	0.6
81.07085	0.8
84.08148	1.8
85.02923	1.6
86.09718	1.1
87.05613	0.7
91.05495	2.0
94.06588	0.6
94.94399	0.8
96.04485	0.6
98.21475	1.1
98.97595	38.1
99.04468	0.8
99.97945	1.6
103.05501	2.0
105.07063	1.4
113.02387	1.4
114.09194	2.2
114.98344	0.7
115.05460	15.3
116.04990	1.2
116.97315	0.9
116.98628	19.5
117.05775	14.7
117.07022	0.7
117.95992	3.7
117.97581	0.8
117.99013	0.7
118.06561	5.2
118.96764	3.7
123.04414	0.6
126.12823	1.4
127.00314	0.6
128.95061	0.5
130.06537	25.6
131.04938	5.1
131.06905	1.0
131.08543	2.4
132.08102	100.0
132.78407	0.5
133.08453	1.3
134.99648	5.2
135.97037	1.1
140.04929	1.2
141.01822	4.4
142.06529	20.8
143.07338	1.3
144.05733	1.6
148.97749	1.3
153.96718	2.2
154.96445	1.0
158.08403	2.0
158.76620	0.5
159.08186	3.3
159.09186	80.9
160.07596	13.5
160.09605	1.7
169.07602	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.41942	0.4
51.74324	0.5
53.17805	0.4
54.28684	0.4
55.05511	0.6
64.58795	0.5
65.03933	0.5
67.05511	4.1
70.06604	0.5
70.82845	1.4
76.93384	1.6
79.05495	4.2
81.07066	3.5
91.05488	19.0
92.05746	0.5
93.07044	1.9
99.18431	0.4
103.05486	1.2
105.07040	15.9
108.20956	0.4
113.02391	1.0
113.07964	0.8
114.09236	0.5
115.05445	5.4
116.06264	2.1
117.07027	55.3
117.96008	1.1
118.07284	1.0
119.08595	4.6
124.85571	0.4
128.06223	0.5
129.07021	10.9
130.07800	15.4
131.08578	87.3
132.08917	2.4
141.01813	1.7
144.05675	0.5
144.09344	9.7
157.10153	2.8
159.08057	1.8
159.11702	100.0
160.12070	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49372	0.6
55.05516	0.9
57.03445	0.8
67.05501	4.7
70.06604	1.9
71.51344	1.1
72.08179	0.7
76.92935	1.1
76.93365	5.7
79.05491	4.0
81.07047	3.0
85.02927	0.8
87.04494	0.6
91.05484	17.9
93.07056	1.4
94.94420	2.6
96.08132	0.7
103.05476	1.4
105.07038	15.9
106.42377	0.5
113.02357	2.2
113.07175	1.0
113.07951	2.1
114.05535	0.8
114.06683	0.6
114.09171	1.8
115.05466	6.1
116.06245	2.5
117.07024	49.9
117.95985	6.7
118.07301	1.1
119.08588	5.2
128.06174	0.8
129.07004	11.6
130.07797	15.3
131.08575	86.1
132.08926	2.0
135.96989	2.7
141.01823	8.4
142.07771	1.0
143.08453	0.6
144.09346	12.0
153.47125	0.5
157.10106	3.6
159.08032	2.6
159.11696	100.0
160.07509	0.7
160.12025	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
57.03469	0.6
58.50819	0.5
67.05507	3.1
70.06589	0.7
70.69640	1.5
72.45964	0.5
76.93375	3.9
79.05496	4.2
81.07057	4.1
91.05481	19.3
93.07061	1.7
94.94398	0.8
98.26635	0.5
103.05482	1.7
105.07040	15.2
113.02391	1.2
114.09151	1.1
115.05460	5.6
116.06247	2.5
117.07024	55.4
117.95977	2.7
118.07903	0.9
119.08601	6.0
125.85228	0.5
128.06189	1.1
129.07021	13.3
130.07797	15.7
131.08574	83.7
132.08942	1.5
135.97008	1.4
141.01808	4.0
142.07773	0.9
144.05737	0.6
144.09344	10.0
157.10086	2.8
159.08026	2.5
159.11699	100.0
160.12097	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	160.097
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
53.03934	0.8
55.01871	1.5
55.05515	23.6
56.05039	4.2
56.96552	1.0
57.03432	2.1
57.04562	1.8
59.04992	0.5
61.02924	1.8
67.05502	0.7
68.05038	1.5
69.03425	1.6
69.07073	28.9
70.06586	5.1
70.90747	1.4
70.98124	1.0
71.01366	0.9
71.04999	1.1
72.08157	4.8
72.93791	0.5
73.02915	2.5
74.02449	1.3
74.06060	0.8
74.07211	1.0
79.05509	0.7
82.01476	0.8
83.04970	0.6
84.04564	0.7
84.08157	1.8
85.01392	0.7
85.02930	0.5
86.06074	4.3
86.09715	0.6
87.04474	5.3
94.02733	0.6
94.06580	0.9
96.02477	0.6
96.08136	100.0
97.06530	0.7
97.08472	1.3
97.51938	0.7
98.97590	0.8
100.07666	0.7
101.00884	4.1
101.02362	1.3
101.05991	0.7
102.00954	1.0
104.07121	1.7
105.06975	0.6
111.02969	1.0
113.02378	1.0
114.03514	1.1
114.05530	2.7
114.09174	43.3
115.02425	1.4
115.03940	0.7
115.05460	0.7
115.09525	1.0
116.04747	55.6
117.05047	0.9
118.03575	0.6
119.01928	11.8
120.02007	0.8
124.07565	0.6
125.07129	0.9
126.12830	0.6
129.01868	2.3
129.87346	0.7
131.01907	1.3
132.08066	0.6
133.03520	3.3
133.06509	0.7
137.02963	2.4
142.03497	2.7
142.08644	22.7
142.09758	1.3
143.01987	0.7
149.03001	0.8
155.01917	0.6
160.03665	5.4
160.07585	1.5
160.09700	40.2
160.10843	4.3
160.13290	1.2
161.02998	2.0
161.09879	0.6
178.05661	0.5
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
50.22098	0.2
54.10702	0.2
56.96567	0.2
60.54861	0.2
68.50734	0.2
71.08750	0.4
82.99850	6.3
83.99928	0.3
84.32304	0.2
85.61991	0.2
96.13184	0.2
98.97607	0.4
101.00888	49.4
101.95055	0.2
102.00950	2.0
102.96877	0.3
103.01328	0.2
111.00447	0.4
119.01929	100.0
120.02010	4.8
121.01634	0.2
121.02398	0.2
124.02462	0.4
126.98804	0.2
127.47831	0.3
136.48366	0.2
137.02966	14.9
138.03082	0.6
141.82022	0.2
142.03499	1.1
143.01900	0.3
143.03633	1.2
144.03227	0.2
145.48853	0.4
150.42889	0.2
160.04520	0.2
161.02977	5.1
161.04337	0.4
162.03148	0.2
179.04027	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	161.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01875	3.1
68.99785	2.3
69.18210	5.2
79.05489	4.2
81.07082	0.7
91.05489	21.7
93.07063	0.5
95.04974	1.3
103.05471	4.0
105.02739	0.7
105.03405	9.5
105.04504	0.8
105.07039	23.8
105.68562	0.5
115.05462	37.7
117.07017	4.2
118.04154	1.7
119.04926	0.6
119.08585	2.5
133.06499	34.8
133.10149	0.9
143.04929	4.7
143.06023	1.0
144.05479	0.5
146.03680	0.8
161.05991	100.0
161.13261	2.6
162.06358	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
52.44650	0.4
53.03939	1.3
55.01876	3.7
56.21019	0.4
57.20467	0.4
61.97271	0.4
68.99785	2.2
71.47911	0.9
77.22266	0.5
79.05502	2.7
87.08401	0.4
87.72466	0.4
89.03903	0.5
91.05483	21.2
95.04969	0.9
103.05472	3.4
105.03393	12.4
105.04478	0.8
105.07033	19.9
115.05457	41.6
116.05747	1.1
117.07017	5.1
118.04236	0.6
119.08589	2.4
129.03316	0.8
133.06497	39.6
133.10028	0.8
134.06801	0.8
143.04932	4.3
144.05728	0.5
160.05208	0.5
161.05986	100.0
161.09622	1.8
161.13274	1.7
162.06400	2.1
171.05536	0.7
173.78644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03941	1.1
55.01880	4.2
64.23046	0.4
68.99799	3.0
69.62752	2.2
69.63165	0.8
76.76200	0.4
77.03940	0.7
79.05501	3.6
91.05489	23.0
92.05798	0.5
95.04967	1.3
98.20828	0.7
98.34641	0.4
98.86956	0.4
103.05496	3.5
105.02723	0.9
105.03403	14.1
105.04456	0.5
105.07041	23.3
115.05463	49.9
116.05765	1.1
117.07022	7.4
118.04176	0.7
119.08601	1.9
133.06503	42.8
133.10110	0.7
134.06837	1.2
143.04950	3.9
144.05722	0.5
146.03662	0.8
160.05214	0.6
161.05994	100.0
161.13356	0.9
162.06332	1.7
171.05536	0.5
180.54507	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
52.73248	0.5
53.03952	1.1
55.01673	0.5
55.01876	5.5
55.59204	0.5
57.22917	0.4
63.02426	0.5
68.99802	3.4
69.29901	4.6
77.03930	1.1
79.05492	4.8
80.95109	0.6
91.05485	24.8
95.04977	1.0
98.21532	0.9
103.05469	4.7
105.03400	15.8
105.07036	25.5
106.07371	0.7
115.05460	49.8
116.05774	0.7
117.07022	5.7
118.04181	0.6
119.08562	1.9
133.06497	43.6
133.10104	0.8
134.06801	0.9
143.04924	4.3
144.05328	0.5
146.03761	0.5
161.05986	100.0
161.13232	0.9
162.06317	2.7
170.27348	0.5
171.05478	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	1,8-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03943	0.9
55.01870	3.6
58.85738	0.4
68.99792	1.9
70.32402	2.0
79.05499	2.9
91.05486	19.2
95.04942	0.9
103.05479	2.4
105.02733	0.9
105.03397	12.4
105.04482	0.8
105.07037	17.4
115.05457	40.7
116.05733	0.5
117.07031	5.3
119.04926	0.8
124.29947	0.5
133.06494	42.6
134.06804	1.0
143.04941	4.7
161.05986	100.0
162.06339	2.7
168.41541	0.6
171.05492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03939	1.1
55.01870	4.6
60.61273	0.4
65.03940	0.4
65.68676	0.5
68.99786	2.0
70.79944	1.1
74.11178	0.5
75.96352	0.5
79.05500	4.1
91.05484	20.8
95.04967	1.1
103.05467	3.8
105.02725	0.8
105.03400	12.0
105.07031	22.0
106.07362	0.6
115.05457	41.0
116.05797	0.8
117.07027	5.3
118.04144	0.8
118.07436	0.5
119.08588	0.7
125.65681	0.4
131.53561	0.5
133.06494	41.2
134.06813	1.0
143.04926	5.0
146.03603	0.7
161.05983	100.0
162.06325	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
50.47673	0.5
53.03942	1.1
55.01871	4.9
62.43178	0.5
63.98327	0.5
68.99786	2.9
70.79972	1.0
77.03928	0.6
79.05503	3.7
88.52592	0.8
91.05484	23.0
95.04957	0.8
103.05457	3.0
105.03404	13.7
105.07039	19.9
115.05460	43.9
116.05765	0.9
116.42582	0.5
117.07022	7.2
117.62150	0.6
118.51531	0.5
119.04981	0.6
133.06500	42.6
143.04935	5.9
161.05983	100.0
162.06317	2.0
182.98010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.16172	0.4
53.03946	3.6
55.01876	4.8
59.18869	0.4
66.04720	1.8
69.03424	0.5
69.99560	1.8
72.08159	10.2
73.08493	7.6
73.72047	0.5
77.03921	2.1
79.05498	19.7
81.03432	0.7
89.03923	1.4
90.04710	4.6
91.05486	4.3
92.02631	0.9
95.04977	2.9
101.95067	0.4
102.04682	0.8
103.05475	28.0
105.04546	1.9
105.07037	100.0
106.07385	1.2
107.04942	1.0
115.05460	29.6
118.04169	18.8
119.08583	1.0
120.08102	0.5
127.13110	1.9
131.04932	4.5
132.05705	1.5
133.06502	47.8
133.10132	1.0
134.06891	0.6
143.04964	0.8
143.06038	6.7
146.03639	1.0
161.05975	9.0
161.07228	0.8
161.09659	1.1
161.13290	0.5
162.05417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03934	0.8
55.01872	3.6
63.14651	0.4
66.67673	0.4
67.34527	0.3
68.99794	2.3
70.75606	0.6
70.75927	0.5
71.51942	0.4
79.05489	2.5
88.80885	0.4
89.02306	0.4
91.05484	22.3
92.05837	0.4
93.07047	0.4
95.04995	1.1
97.35967	0.5
103.05461	2.0
105.02728	0.8
105.03401	12.7
105.07035	19.3
106.07377	0.7
111.68260	0.4
115.05459	39.4
116.05785	1.1
117.07021	4.3
119.08554	0.4
129.03285	0.5
133.06497	37.3
134.06844	0.6
143.04918	4.3
161.05983	100.0
162.06340	2.1
162.59901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.41068	0.3
53.03956	0.5
55.05516	5.7
65.03959	0.3
69.07072	2.0
69.68732	1.5
72.08164	1.2
73.08485	0.6
77.03970	0.3
79.05495	2.2
81.07063	0.9
83.63996	0.3
91.04906	0.4
91.05479	7.5
93.07038	1.5
98.20764	0.4
103.05447	1.4
104.06254	0.5
105.07037	16.4
106.07349	0.3
107.08608	1.3
115.05444	1.3
117.07024	2.6
118.07791	0.6
119.08586	100.0
120.08879	1.5
121.10152	3.1
128.06227	0.3
128.87593	0.3
131.08563	2.9
132.09303	0.3
133.06505	1.2
133.10135	18.1
134.10393	0.4
145.10146	0.4
146.03613	0.3
146.10899	1.2
159.11694	1.5
161.05931	0.8
161.09669	1.2
161.13261	19.9
162.13560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02400	0.3
53.03949	1.2
55.01873	1.8
55.05505	1.0
64.14553	0.3
65.03955	0.3
66.04717	0.4
67.05498	0.5
69.07084	0.7
69.79425	1.5
72.08160	1.9
73.02909	0.4
73.08488	1.5
77.03928	0.5
78.93111	0.6
79.05495	6.5
81.07070	1.7
89.03869	0.4
90.04713	0.8
91.05485	8.1
93.07066	1.5
95.04990	0.8
98.21352	0.8
103.05476	7.7
104.06244	0.5
105.03393	0.6
105.07036	44.9
106.07359	1.0
107.08557	0.3
113.02383	0.3
115.05460	9.6
117.07012	2.6
118.04158	4.0
119.08585	100.0
120.08889	1.5
121.10156	0.5
131.04921	1.2
131.08568	1.2
132.05727	0.5
133.06500	11.9
133.10138	7.5
143.04996	0.5
143.06070	1.5
143.08583	0.7
146.03636	3.1
146.07260	0.5
146.10950	0.4
161.05988	7.4
161.07269	0.5
161.09604	3.6
161.13254	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	162.0551
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03944	0.3
54.30006	0.2
64.18082	0.3
70.90196	0.6
73.08471	0.4
74.06081	0.5
79.05489	0.6
81.55121	0.3
84.19603	0.2
85.02912	0.4
86.32031	0.3
89.03923	1.9
91.05443	0.3
92.05042	0.4
94.06564	1.0
95.04986	0.3
102.05521	0.3
103.05475	1.1
106.06548	0.4
106.07305	0.3
107.04945	0.7
116.04998	3.9
116.64536	0.2
117.03368	0.4
120.04474	3.4
120.08009	0.4
131.04933	0.9
133.02852	0.5
134.06038	0.5
135.04445	1.7
135.05385	0.3
144.04471	2.0
145.02837	0.5
162.05508	100.0
163.03902	2.9
163.05920	1.8
163.07367	0.3
165.95374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01640	0.2
53.03941	2.5
55.01867	0.8
56.96566	30.7
57.03441	1.2
60.38353	0.3
60.95846	1.2
61.02924	0.8
63.92938	1.0
63.95996	0.2
67.05499	0.3
68.05043	0.4
69.03429	2.2
70.63007	0.8
71.01338	0.4
71.04998	0.3
71.95267	1.4
72.93792	0.7
73.02920	2.6
74.97605	0.5
76.20462	0.2
77.03929	0.9
77.30022	0.2
78.95284	2.2
79.05496	3.9
81.03410	1.0
84.08150	0.6
84.96043	5.7
85.02879	1.7
89.03929	1.4
91.01274	0.7
91.05465	1.6
93.07039	0.5
94.47001	0.8
95.04970	2.6
97.02887	1.9
97.96793	1.4
98.97586	30.2
99.04478	0.7
99.97936	0.8
100.01811	2.8
102.96869	4.2
103.00652	0.5
103.05479	1.8
103.47541	2.3
105.03382	0.8
105.04488	1.3
105.07018	0.4
106.06562	1.0
107.04957	100.0
108.05282	5.1
109.02274	0.6
110.07131	0.3
110.97577	10.5
112.48013	0.6
112.99158	1.4
113.96382	0.4
114.05569	0.4
115.00745	0.4
115.05467	0.3
116.98623	8.8
117.03413	0.9
117.05685	0.7
117.07015	0.5
117.98974	0.3
118.06551	0.5
119.00181	0.3
119.04948	0.5
119.97905	1.0
120.08109	0.4
120.97914	1.6
121.00861	0.5
121.01685	1.6
122.94215	0.8
124.99110	2.9
125.02577	0.3
126.97035	0.4
127.03941	0.6
128.97838	0.3
128.98613	8.1
129.98941	0.4
130.06557	1.7
131.00186	1.0
131.04933	2.0
132.08104	2.0
133.02904	1.5
133.07620	0.8
134.99661	1.3
135.04430	4.0
135.05504	0.3
135.08121	0.4
136.07599	0.9
138.98932	0.4
139.01839	0.7
139.46722	0.4
140.00177	0.5
140.95268	1.2
140.98538	1.3
143.00172	6.2
144.00491	0.4
144.98091	1.2
145.02869	0.8
145.06541	0.5
145.07635	1.1
146.99657	2.3
148.47253	0.9
149.01350	0.3
149.05968	0.7
152.51549	0.3
152.98637	1.9
158.96297	1.3
158.99651	2.0
161.01227	3.9
162.99146	0.7
163.00620	0.5
163.01775	1.0
163.03905	9.5
163.07535	0.8
163.08684	7.0
163.11086	0.6
163.12312	1.8
163.96829	0.3
164.07066	1.2
170.99675	1.9
174.99110	0.5
177.00702	1.0
181.01596	0.5
181.02983	0.5
181.97925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03715	0.6
53.03950	10.5
55.01859	0.5
64.47192	0.3
69.03432	0.4
69.78495	1.8
77.03931	4.5
79.05500	7.1
81.03411	1.1
81.07063	0.6
91.05495	0.6
92.02625	3.9
93.07031	0.6
95.04974	9.5
98.20808	0.5
103.05477	7.0
105.03411	5.1
105.04505	5.6
105.07044	0.5
107.04969	2.6
107.08612	1.1
120.02103	1.1
121.10155	0.7
131.04933	8.3
133.02859	28.7
134.03206	0.8
135.04420	29.9
136.04764	0.7
138.03130	0.6
145.10098	0.7
163.03914	100.0
163.07526	2.0
163.11221	1.4
164.04256	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
51.02373	1.1
53.03717	0.6
53.03955	10.6
55.16544	0.3
69.45086	0.4
70.95280	0.8
77.03937	4.7
79.05496	6.0
80.30311	0.4
81.03422	1.3
92.02621	4.5
95.04976	9.6
95.23871	0.4
103.05473	2.5
105.03411	6.0
105.04505	4.6
107.04961	1.3
107.08585	0.5
120.02091	1.3
131.04916	2.3
133.02870	29.0
134.03209	0.4
135.02922	0.5
135.04428	30.3
163.03920	100.0
164.04289	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	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.6
51.02374	1.3
53.03949	9.6
55.01864	0.6
56.51501	0.4
69.74876	0.4
70.75790	1.2
77.03931	4.5
79.05492	6.7
81.03414	0.9
81.93745	0.5
85.02929	0.4
91.05486	1.0
92.02628	4.3
93.07077	0.6
95.04966	9.4
103.05469	7.0
105.03419	5.2
105.04508	5.5
105.07022	0.7
107.04973	2.1
107.08591	1.2
113.59715	0.4
117.03365	0.5
120.02068	1.0
121.10155	0.6
126.69593	0.4
131.04930	7.9
133.02853	29.5
134.03206	0.8
135.04413	30.3
135.07991	0.5
135.11681	0.7
136.04756	0.7
136.07579	0.7
138.03091	0.7
145.10092	0.9
147.39618	0.4
150.32571	0.4
163.03903	100.0
163.07481	2.4
163.11191	1.2
164.04237	2.5
164.07022	0.7
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
50.01597	0.5
51.02376	0.8
53.03946	7.1
53.56533	0.5
55.01885	0.5
67.05499	0.7
69.03430	1.0
69.49598	3.3
73.94857	0.6
77.03931	3.2
79.05497	7.6
81.03397	0.6
83.08609	0.6
87.42973	0.5
89.03919	1.8
91.05492	3.4
92.02603	2.6
93.07057	2.8
95.04974	7.4
95.08575	0.6
103.05473	88.9
104.05807	1.3
105.03422	4.4
105.04520	4.6
105.07034	2.2
106.06531	0.5
107.04961	6.6
107.08582	3.3
115.05494	0.6
117.03378	1.4
117.05769	0.5
117.07010	1.5
118.06615	0.6
119.04955	1.5
120.02129	0.9
120.08140	0.6
121.06515	1.0
121.10159	1.9
130.06532	1.4
131.04936	100.0
132.05286	2.3
132.08084	0.8
133.02859	20.5
135.04424	23.6
135.08015	2.2
135.11703	1.8
136.07597	0.6
137.05917	0.5
140.85326	0.6
145.02821	1.1
145.10118	1.8
148.05182	1.8
156.97540	0.5
161.84163	0.5
163.03911	81.3
163.07545	33.5
163.11191	5.7
163.12389	0.9
163.14746	0.8
164.04266	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02383	1.9
53.03952	10.6
53.74501	0.7
55.01857	2.5
55.05516	14.8
56.72270	0.7
57.03427	1.2
57.07064	3.6
59.46892	0.7
61.02934	9.3
65.03941	2.1
67.05508	39.8
68.05025	1.0
69.03418	0.9
69.06736	1.1
69.07072	15.8
69.37766	2.6
69.38197	3.4
73.02917	3.6
77.03904	4.8
79.05497	83.6
80.05823	1.2
81.03410	1.7
81.07060	60.1
82.07397	1.2
83.04990	1.3
83.08624	9.0
85.02900	5.3
91.03934	2.3
91.05486	20.4
92.02625	3.6
93.07047	88.6
94.06532	0.7
94.07359	1.5
95.04974	13.0
95.08611	60.5
96.08971	0.8
97.02882	1.3
97.10146	2.7
98.21555	1.6
100.02414	0.8
103.05476	34.4
103.06155	1.8
104.05821	0.8
105.03419	5.5
105.04506	7.6
105.05157	1.1
105.07037	7.7
106.06555	2.1
107.04963	6.1
107.08598	76.0
108.08922	1.5
109.06499	2.0
109.10159	3.6
117.05771	1.0
117.07014	3.1
118.06519	1.3
119.04939	2.6
119.06111	1.9
119.08588	5.1
120.08115	0.8
121.06488	1.9
121.10147	91.8
122.10506	1.5
130.06587	3.7
130.07774	2.1
131.04932	38.7
132.08086	3.5
133.02859	26.9
135.04425	28.4
135.08063	3.2
135.11700	13.6
145.10126	6.6
157.85599	0.7
163.03911	100.0
163.07532	9.3
163.08701	1.7
163.11180	16.2
163.12379	2.0
163.14827	61.6
164.04298	2.6
164.07098	4.6
164.15173	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02382	1.9
53.03956	11.8
53.59943	0.7
55.01870	1.2
55.05516	7.4
57.03430	0.6
57.07065	1.6
65.03934	1.8
67.05513	19.6
69.07075	9.0
69.58813	4.6
77.03948	3.1
79.05503	48.7
80.05829	0.9
81.03406	2.2
81.07067	32.8
83.08640	4.3
84.08150	0.9
91.05481	12.7
92.02631	4.2
93.07056	44.9
95.04984	11.2
95.08618	29.4
95.09070	0.4
96.51563	0.6
97.10170	1.7
97.71959	0.6
103.05476	4.6
104.04978	1.0
105.03422	6.4
105.04512	6.4
105.05751	1.1
105.07013	4.4
105.08653	0.6
106.06552	1.2
107.04969	5.9
107.08607	39.9
108.08901	0.7
109.10149	1.9
114.05531	0.8
117.05786	1.4
117.07014	2.8
118.06525	1.1
119.04982	1.7
119.08569	3.3
120.02147	1.0
120.04450	0.9
121.06515	1.3
121.10159	51.4
122.10443	0.8
130.06537	3.4
131.04916	5.9
132.08084	4.5
132.32716	0.6
133.02870	24.4
133.05278	0.8
134.03183	0.8
135.04436	28.8
135.08067	1.9
135.11673	5.9
136.04793	0.7
136.07552	0.7
145.10126	1.5
163.03925	100.0
163.07581	3.0
163.08713	1.4
163.11176	7.0
163.12383	2.3
163.14842	37.8
164.04225	2.1
164.07108	2.1
164.15230	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03947	9.2
54.54745	1.0
55.01865	0.9
55.05516	14.3
57.07069	2.4
61.02925	1.6
61.26415	0.9
65.03944	2.0
67.05509	38.1
69.06730	1.3
69.07072	15.6
70.03624	0.9
71.08842	1.9
77.03916	3.7
79.05499	86.3
81.03401	1.2
81.07063	60.6
83.08621	9.3
91.05490	18.0
92.02646	1.8
93.07050	87.6
94.07378	1.4
95.04978	6.9
95.08614	58.0
97.10145	1.4
103.05468	4.3
105.03394	2.8
105.04513	3.3
105.07023	5.7
106.06550	1.0
107.04946	3.1
107.08601	75.0
108.08926	1.1
109.10168	4.8
117.05763	1.2
117.07040	1.6
118.06531	1.1
119.08564	5.9
121.06493	1.5
121.10152	100.0
122.10469	1.2
130.06499	1.3
131.04910	4.6
132.08109	2.3
133.02878	13.1
135.04433	15.0
135.08025	1.8
135.11696	9.5
145.10156	1.4
163.03912	45.9
163.07593	2.3
163.11200	8.3
163.14838	63.7
164.04243	1.1
164.07085	2.2
164.15167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.02387	0.8
53.03951	10.0
54.03476	14.6
55.01863	0.7
55.05513	7.8
57.07070	1.3
65.03940	0.9
67.05511	5.1
68.05000	0.8
69.03439	1.2
69.07072	19.8
69.77061	3.4
77.03941	2.2
79.05497	24.8
81.03451	1.1
81.04547	8.0
81.07057	30.8
82.05330	1.2
83.08615	6.1
85.93305	0.7
89.03925	1.0
91.05482	12.5
91.19984	0.6
92.02617	3.2
93.07050	36.4
95.04975	11.2
95.06036	1.3
95.08611	23.4
98.21509	0.9
103.05467	9.8
105.03410	6.1
105.04503	6.4
105.07034	9.2
106.06556	2.9
107.04969	5.1
107.08599	100.0
108.08938	1.9
108.72050	0.7
109.06514	2.0
109.10144	2.3
117.05759	2.0
117.07037	1.1
118.06551	0.8
119.04962	1.4
119.06054	1.3
119.08582	3.0
120.08151	1.2
121.06493	1.9
121.10149	31.1
122.07166	5.6
123.07981	1.9
130.06520	5.4
131.04933	10.0
132.08104	5.1
133.02863	22.8
133.10101	1.0
135.04427	28.5
135.08075	1.4
135.11705	13.9
136.08693	1.1
145.10106	2.0
145.70746	0.7
163.03918	93.5
163.07544	2.7
163.08638	2.9
163.09801	4.7
163.11177	8.5
163.12358	4.6
163.14828	50.5
164.04225	2.9
164.07068	4.4
164.15161	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03757	0.9
53.03949	10.2
55.01869	1.5
55.05509	15.3
57.07079	6.3
60.44732	0.9
65.03925	1.4
66.29076	0.9
66.59473	0.9
67.05495	2.3
69.03439	1.1
69.07069	36.7
70.07410	0.9
70.70956	1.0
71.11539	1.2
71.11850	1.1
77.03919	3.2
79.05493	23.7
81.03397	1.2
81.07053	7.4
83.08623	14.7
89.03901	2.8
91.05481	18.9
92.02609	2.3
93.07041	33.4
95.04968	8.5
95.08598	8.0
103.05466	55.3
104.05692	0.9
105.03434	4.6
105.04482	3.6
105.07027	24.9
107.04955	7.7
107.08592	96.3
108.09449	4.5
109.06477	2.9
109.10151	3.5
115.05508	1.0
117.03374	1.7
117.06987	2.0
119.04989	1.3
119.08569	8.6
121.06532	1.7
121.10143	100.0
122.10485	1.3
123.08067	2.3
130.06534	1.9
130.07732	1.5
130.82324	1.0
131.04930	62.7
132.05273	1.5
132.08025	1.2
133.02846	19.7
133.07587	1.6
134.10948	1.3
135.04413	25.5
135.08104	1.7
135.11687	25.7
136.07574	6.1
145.02853	1.8
145.10123	3.0
148.05260	1.3
148.49387	1.1
163.03903	76.4
163.07541	20.9
163.08801	1.8
163.11143	6.2
163.12431	1.1
163.14818	32.9
164.04256	3.2
164.06966	1.6
167.74030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.40866	0.6
51.02374	1.6
53.03951	9.7
54.79490	0.6
55.01871	1.2
55.05514	7.6
57.03413	0.8
57.07073	3.4
63.02345	0.6
63.26276	0.5
65.03927	1.9
67.05496	2.1
68.05053	0.7
69.03431	3.2
69.07071	22.6
69.58464	4.1
77.03936	2.9
77.31886	0.6
79.05495	20.0
81.03428	1.5
81.07063	5.4
83.08619	10.0
84.14265	0.6
89.03907	4.3
91.05485	15.1
92.02621	4.8
93.07047	24.8
94.06563	0.7
95.04982	11.9
95.08604	4.7
103.05473	83.5
104.05811	1.7
105.03396	5.7
105.04514	5.1
105.07040	16.8
106.06538	1.1
107.04961	11.2
107.08599	66.8
108.08796	0.7
108.09447	1.6
109.06511	1.6
109.10147	1.7
115.05461	1.3
117.03391	3.2
117.05746	0.7
117.07043	4.2
118.06532	0.9
119.04946	1.6
119.06066	1.7
119.08588	7.1
120.05749	1.0
120.08095	0.8
121.06524	1.5
121.10150	77.2
122.10460	1.4
123.08079	1.5
124.05744	0.6
129.07028	0.6
130.06523	2.1
130.07753	1.7
131.04938	93.9
132.05283	2.7
132.08101	2.1
133.01845	1.4
133.02858	25.9
133.07629	1.4
133.10147	1.3
134.03229	0.9
134.10950	0.9
135.04430	32.4
135.05415	1.1
135.08055	4.3
135.08971	0.9
135.11696	18.0
136.04811	0.7
136.07582	3.3
136.11996	0.8
138.03075	0.8
141.22646	0.6
145.02908	3.7
145.03949	1.0
145.06499	7.9
145.10132	3.7
148.05191	1.4
155.06049	2.1
163.03912	100.0
163.07544	33.7
163.08685	2.6
163.11183	11.7
163.12396	1.5
163.14824	21.7
164.04265	2.3
164.06944	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08888	0.5
67.66612	0.5
70.91757	1.4
82.01449	1.3
82.99850	14.5
94.22328	0.7
100.02509	0.8
101.00890	81.1
102.00952	2.0
104.60265	0.6
111.00434	1.2
111.60734	0.5
119.01930	100.0
120.02023	2.4
124.02461	14.7
124.03383	0.8
137.02953	11.7
142.03510	85.4
143.03635	2.7
160.04581	10.6
161.04762	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.5
60.83559	0.5
70.95290	1.3
71.77901	0.5
80.62722	0.6
82.01447	1.2
82.99852	12.4
83.00307	1.0
100.02488	1.2
101.00891	80.9
102.00978	1.3
119.01933	100.0
120.02016	2.7
121.02407	0.6
123.04402	0.8
124.02460	14.3
128.98671	0.7
137.02963	11.6
138.03069	0.8
142.03514	85.8
142.94949	0.6
143.03613	2.2
160.04578	10.9
165.05077	1.2
166.08646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03930	0.3
55.05509	0.6
65.03940	1.5
67.05511	0.5
68.99816	0.2
69.03418	0.4
71.35262	0.3
77.03931	0.2
79.05502	0.3
80.05032	0.4
81.07050	0.4
91.05486	28.3
92.05801	0.5
93.07034	0.5
95.04972	1.8
95.70158	0.2
99.89880	0.2
101.00873	0.9
103.05502	0.4
105.03397	0.3
105.04536	0.3
105.07016	0.3
107.04959	0.3
109.06512	0.5
109.10165	0.3
119.01973	1.3
119.04948	55.1
119.08593	0.7
120.05248	1.0
120.08121	0.7
123.04417	1.8
123.08044	0.3
133.02881	0.4
136.07669	0.5
137.06004	0.5
137.09537	0.2
142.03529	0.7
147.04417	100.0
148.04764	2.3
148.07634	0.3
165.05515	1.6
165.09061	0.3
165.12753	0.4
166.08635	2.3
174.50177	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01867	0.4
55.05508	1.6
63.26698	0.2
64.30111	0.2
65.03944	1.7
67.05508	0.8
69.03420	0.4
69.07074	0.4
69.61001	1.6
77.03929	0.3
79.05502	3.1
81.03465	0.3
81.07064	1.2
91.05489	27.7
92.05824	0.5
92.08131	0.3
93.03384	0.3
93.07060	1.1
94.04236	0.3
95.04975	2.8
95.08614	1.1
101.00902	1.2
103.05461	1.6
105.03403	0.3
105.07040	11.4
107.04950	0.4
107.08595	0.3
109.02862	0.3
109.06533	1.0
109.10176	0.3
112.46532	0.3
117.07018	0.2
117.80816	0.3
118.04171	0.3
119.01974	1.6
119.04952	54.2
119.08564	1.9
120.05303	0.6
120.08125	0.7
121.06545	0.3
121.10154	0.3
122.03653	1.0
123.04430	2.4
123.08061	0.8
124.02488	0.3
124.05215	0.4
133.02843	0.6
133.06500	7.4
136.07567	0.4
137.05989	10.6
137.09602	0.5
142.03517	1.0
147.04422	100.0
148.04756	1.8
160.04518	0.2
165.01906	0.5
165.05515	1.9
165.09102	3.0
165.12744	0.6
166.08652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
65.03934	1.7
67.05518	0.5
69.03416	0.3
69.62525	1.3
71.05003	0.2
79.05489	0.6
81.03419	0.5
81.07052	0.3
91.05487	27.3
93.07024	0.5
95.04970	1.9
95.08602	0.2
96.04485	0.3
101.00888	1.1
103.00150	0.2
103.05456	0.5
104.26991	0.2
105.07043	0.5
107.08590	0.3
109.06546	0.3
109.10149	0.4
119.01978	2.0
119.04949	53.3
119.08569	1.0
120.05270	0.9
120.08124	1.6
121.06553	0.2
123.04422	2.0
123.08064	0.3
124.85706	0.2
133.02869	0.4
136.07608	0.8
137.05969	0.8
137.09598	0.4
142.03514	1.8
147.04419	100.0
148.04776	1.7
148.07632	0.5
160.04611	0.3
165.01854	0.6
165.05484	2.0
165.07608	0.3
165.09140	0.9
166.08646	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	165.0911
Annotation	beta-Thujaplicin
Peak:m/z	Relative Intensity
53.03947	1.6
54.03456	2.8
55.02979	1.0
55.05525	4.8
55.52440	0.8
56.01390	1.7
56.05038	6.2
58.06594	1.9
59.56271	0.8
64.70844	0.8
65.03930	1.5
67.05510	22.8
68.05037	5.5
69.03411	1.3
69.04552	2.3
69.07066	2.1
69.30400	1.4
69.30802	6.4
70.06582	3.7
71.06098	1.1
79.05483	3.6
80.05012	3.5
81.04549	6.4
81.07063	9.5
82.06601	3.9
83.02473	13.8
83.05000	4.9
83.06104	12.2
84.04482	1.2
85.07655	2.2
91.05482	13.0
93.07019	2.9
95.04981	7.1
95.06087	3.7
95.08600	3.6
96.05594	1.1
96.06908	0.9
96.08080	0.8
97.04071	0.9
97.07664	5.6
98.07175	5.4
101.61972	0.8
105.04550	0.8
105.07000	2.8
106.06570	0.9
107.04953	3.2
107.06084	4.8
107.08592	2.5
108.05579	1.5
109.06511	3.9
109.07646	3.2
109.10165	18.4
110.07182	3.1
110.08426	1.2
111.07941	3.9
111.09169	1.7
112.08744	1.1
117.07014	1.7
119.01916	1.2
119.04964	12.2
119.07803	1.4
119.08587	15.5
120.04514	0.8
120.08096	2.8
120.08889	1.1
121.06514	1.6
121.07635	3.2
121.10116	0.9
122.07254	22.1
123.04388	1.1
123.05543	0.9
123.06654	4.8
123.08006	3.0
123.09163	4.7
123.11656	1.1
124.05116	4.8
124.07716	1.3
124.08722	17.4
125.05847	1.0
125.09509	5.7
133.02872	1.6
133.10141	0.9
136.07570	2.7
136.08684	2.1
137.05992	2.6
137.09621	48.9
138.06642	1.6
138.10197	3.3
142.96674	2.5
147.04431	21.5
147.06622	0.8
147.11720	1.6
148.04910	1.1
148.07587	2.0
148.08704	7.4
165.07686	6.1
165.09114	100.0
165.11362	19.3
165.12746	3.9
166.04962	1.2
166.08540	7.8
166.09811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
51.10868	0.4
52.01078	0.4
52.81435	0.4
53.03942	1.0
53.39860	0.5
55.05507	3.0
55.50313	0.4
56.01393	0.5
56.05018	1.4
63.61106	0.4
65.03933	0.7
67.05506	23.3
68.05025	0.9
69.03399	0.6
69.04555	0.5
69.07029	0.6
69.81956	2.6
79.05500	2.3
81.04531	1.2
81.07057	7.1
83.02458	1.4
83.04975	4.0
83.06086	1.8
85.07658	0.7
91.05479	6.4
93.07043	1.6
95.04986	2.8
95.08588	2.8
97.07667	1.1
98.07169	1.1
98.20742	0.5
103.05477	1.2
104.06281	0.5
105.07010	0.9
107.04961	2.9
107.06083	0.6
107.08630	2.2
107.09216	0.4
109.06503	1.6
109.07666	1.0
109.10159	21.9
110.07209	1.0
111.07928	0.7
117.07023	1.5
119.04913	2.6
119.08582	17.0
120.08096	1.1
121.06497	1.3
121.07405	0.4
122.07285	15.5
123.06705	1.0
123.08067	1.4
123.09182	1.1
124.05042	0.6
124.08701	1.9
125.09509	0.8
126.05122	0.5
135.08102	0.5
137.05997	1.1
137.09621	50.2
138.10078	1.3
142.96765	0.5
147.04425	4.6
147.08022	1.0
148.08684	1.1
165.09117	100.0
165.11386	5.6
166.08412	0.7
166.09535	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
55.01870	1.3
55.05516	29.1
57.07084	0.8
65.03954	2.1
67.05510	4.0
69.03419	2.3
69.07071	2.1
70.06572	0.4
70.81169	0.5
71.05000	1.5
71.50327	0.8
77.03946	0.7
79.05499	7.7
80.05016	1.4
81.03405	1.3
81.07063	15.2
82.07402	0.8
83.04987	1.4
85.02940	0.7
91.05487	31.3
93.07052	5.6
95.04983	5.1
95.08609	6.2
101.00883	3.1
103.05468	1.6
105.04535	0.8
105.07039	12.7
107.04996	0.9
107.08592	2.4
109.02892	1.2
109.06524	11.2
109.10151	1.6
111.08112	1.2
118.06522	0.6
119.01942	7.7
119.04949	57.4
119.08588	6.3
119.09377	0.6
120.05307	1.1
120.08126	2.2
121.06528	0.8
121.10139	1.6
122.03672	0.8
123.04448	3.4
123.08066	4.0
123.11726	1.0
124.02451	0.6
133.02872	1.6
133.06487	6.0
136.07567	3.2
137.03041	0.9
137.05984	11.1
137.07866	0.6
137.09628	1.7
137.13277	0.6
138.05534	0.7
142.03517	4.4
147.04419	100.0
147.08064	1.9
147.11702	2.2
148.04826	2.1
148.07629	0.7
160.04582	1.1
165.01898	1.1
165.04306	0.7
165.05507	3.8
165.07510	0.7
165.09122	4.2
165.10275	0.8
165.12746	6.3
166.04951	0.5
166.08636	7.3
167.24721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1277
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03950	1.2
55.01867	1.3
55.05518	4.4
57.03441	0.8
57.07084	0.5
59.89039	0.4
65.03938	1.5
67.05510	6.5
68.05014	0.7
69.03432	3.0
69.07067	2.7
69.32273	0.3
71.04996	0.9
71.97927	0.4
77.03963	0.6
79.05505	5.5
80.05016	2.5
81.03435	2.4
81.07062	9.6
82.06593	0.5
83.04997	1.7
83.08625	2.8
85.02919	0.6
87.04461	0.8
91.05486	21.8
92.05818	0.5
93.07051	4.2
94.04188	0.8
95.04974	100.0
95.08611	5.8
96.05307	1.1
97.06572	0.7
101.00892	2.1
101.94100	0.4
103.05489	1.4
105.03383	0.9
105.06301	0.7
105.07038	9.5
106.06585	0.4
107.04963	1.2
107.08594	8.7
109.02856	0.7
109.06523	18.6
109.10160	3.7
109.22473	0.4
110.06083	0.5
110.06857	0.5
117.06980	0.5
118.06571	0.6
119.01936	4.2
119.04951	29.0
119.08577	6.0
120.05247	0.6
120.08119	4.6
121.06500	1.1
121.10152	2.6
122.03635	1.2
122.06058	0.4
122.07281	1.1
123.04422	2.0
123.08063	3.1
123.11731	1.8
133.02859	5.8
133.05592	0.7
133.06493	3.0
135.04401	0.4
136.07579	6.8
137.03011	0.7
137.05989	8.4
137.07944	0.9
137.09625	4.9
137.13268	1.5
138.05481	0.7
138.09123	0.4
142.03514	3.2
142.96729	1.5
147.04420	55.3
147.08069	1.3
147.09119	0.8
147.11696	8.4
148.04779	0.9
148.07550	2.6
160.04619	0.6
165.01807	1.0
165.04395	1.8
165.05707	4.6
165.07082	1.9
165.09113	11.1
165.12762	49.8
166.04974	1.0
166.08649	17.6
166.13129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03939	3.6
54.76289	0.8
55.01882	1.0
55.05513	6.8
57.03442	6.0
57.07081	6.8
59.04994	3.9
63.01804	1.0
65.03944	2.9
67.05511	37.5
69.03437	10.4
69.07078	10.3
69.55495	7.1
69.55849	1.0
71.04980	2.6
73.06730	1.0
79.05500	16.4
80.05004	1.8
81.03407	4.1
81.07063	37.0
83.04984	3.7
83.08616	3.3
91.05485	29.6
93.07055	11.9
95.04975	59.7
95.08615	35.0
95.09061	0.7
97.06524	1.5
101.00891	2.3
103.05501	1.6
105.07039	19.4
107.04968	6.4
107.08604	50.7
108.05740	2.2
108.08901	1.6
109.06524	31.6
109.09445	0.9
109.10161	6.0
109.52891	0.9
110.07319	3.5
112.85511	1.0
117.07046	5.0
119.01931	3.2
119.04947	20.7
119.08590	45.1
120.08102	4.4
120.08907	1.7
121.06506	3.1
121.10138	11.8
123.04472	1.4
123.08077	45.1
123.10828	1.9
123.11710	30.1
123.40903	1.0
129.06975	1.4
132.05676	3.7
133.02904	2.1
135.11795	1.3
136.07584	3.7
136.08824	2.0
137.05981	2.4
137.09631	5.3
137.13257	6.2
141.09065	1.2
142.03499	2.8
145.09996	1.1
147.04420	37.0
147.08066	22.8
147.11694	11.9
148.07500	1.8
165.05531	2.3
165.09106	6.4
165.12767	100.0
166.08673	7.6
166.13075	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.11625	1.0
53.03949	8.3
55.01880	2.2
55.05518	9.9
57.03417	2.1
57.07071	2.6
59.04996	2.4
64.80898	1.0
65.03934	2.6
67.05514	14.0
69.03090	1.7
69.03435	27.6
69.06791	0.9
69.07081	8.9
71.02296	2.3
71.04972	2.9
77.72791	1.1
79.05492	9.9
80.05009	3.9
81.02991	1.5
81.03428	22.8
81.07061	29.9
83.04980	4.2
83.08623	1.1
85.06537	1.2
91.05482	35.1
93.07050	13.7
95.04385	1.5
95.04975	20.4
95.08611	27.3
101.00882	2.9
103.05459	2.6
105.03391	1.4
105.06384	1.8
105.07035	18.4
107.04943	3.0
107.08589	14.2
109.06525	20.5
109.10142	6.8
110.07315	2.2
111.08083	1.5
117.07008	2.6
119.01920	7.5
119.04948	47.5
119.08586	20.2
120.08114	8.8
121.06474	1.3
121.10166	8.3
122.07266	1.4
123.04422	3.4
123.08070	25.9
123.11716	14.4
124.05141	1.1
133.02846	6.0
133.06461	1.1
135.08022	1.4
136.07596	11.8
136.08614	1.6
137.02953	1.3
137.05983	7.0
137.09621	4.6
137.13257	2.6
138.05486	1.5
138.09154	1.4
141.28075	1.0
142.03526	5.1
142.96730	2.3
147.04417	76.6
147.08070	7.1
147.09047	1.5
147.11707	10.1
148.07571	5.9
165.01849	1.9
165.05609	7.5
165.06822	2.1
165.09166	6.7
165.12758	100.0
166.08655	24.8
166.13167	2.2
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	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03928	0.3
54.55444	0.2
61.12687	0.2
71.44758	0.3
77.03895	0.3
79.05495	1.4
86.64761	0.2
90.51012	0.2
91.05479	0.8
93.07039	2.6
103.05470	12.6
104.05823	0.2
107.04959	2.0
118.06522	0.3
120.08106	100.0
121.08463	2.1
131.04930	2.4
133.90305	0.2
149.06001	0.6
166.08643	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0866
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02382	0.1
53.03966	0.2
67.05523	0.1
68.05024	0.2
69.03442	0.5
70.06588	0.3
70.54563	0.2
70.54949	0.2
70.55875	0.1
77.03922	0.2
78.04715	0.6
79.05492	1.4
80.05021	1.2
82.06574	0.3
87.04472	0.4
91.05495	1.0
92.05822	0.2
93.07053	2.6
94.04275	0.2
94.06573	0.2
95.05003	0.2
95.08654	0.2
96.04507	0.1
103.05476	11.2
104.05792	0.2
106.04182	0.3
106.06567	0.1
107.04965	2.6
107.08597	0.2
118.06567	0.8
120.08114	100.0
121.06527	0.3
121.08450	2.0
123.04446	1.0
124.05197	0.5
124.07579	0.2
131.04935	2.4
136.07591	3.0
137.05969	0.1
138.05489	0.5
138.09172	0.3
140.48009	0.1
142.96722	0.7
148.04773	0.8
148.07591	1.1
149.05988	0.7
151.03900	0.3
152.04691	0.3
165.42471	0.1
166.04979	0.3
166.08650	9.3
167.07060	4.0
167.08452	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	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.91489	0.2
53.03952	0.4
55.05531	0.4
65.03948	0.3
67.05522	0.6
69.03445	0.8
69.07096	0.3
70.06602	0.3
71.51390	0.3
77.03933	0.2
78.04702	1.1
79.05497	4.3
80.05022	2.5
80.05836	0.2
81.03423	0.2
81.07059	0.5
83.93044	0.4
87.04484	0.4
91.05482	2.6
92.05015	0.2
92.05844	0.5
93.07049	5.1
94.04202	0.2
94.06573	0.5
95.04960	0.9
95.55258	0.2
103.05473	12.3
105.04547	0.2
105.05802	0.7
105.07008	0.3
106.04163	0.5
106.06572	0.4
107.04975	2.5
107.08594	0.4
108.08128	0.3
109.10186	0.3
110.06057	0.6
118.06525	1.4
119.07345	1.3
119.73836	0.2
120.08112	100.0
121.06495	0.3
121.08472	2.2
121.10097	0.2
122.03636	0.3
122.06081	0.2
123.04443	2.1
124.05202	0.8
124.07649	0.3
131.04924	1.9
134.03291	0.2
135.04456	0.2
136.07584	3.7
138.05498	0.5
138.09146	0.4
142.96703	0.8
148.04849	1.6
148.07578	11.2
149.05977	0.8
149.08063	0.4
151.03940	0.5
152.04645	0.4
166.04985	0.9
166.08641	13.4
167.07050	6.9
167.09155	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.3
56.15221	0.1
56.96556	0.2
58.59228	0.2
58.98949	0.2
70.80570	0.4
79.05494	1.4
91.05484	0.7
93.07049	2.6
95.04971	0.3
103.05474	11.9
104.05830	0.4
105.04465	0.2
107.04962	2.5
108.48651	0.1
118.06593	0.2
120.08112	100.0
121.08459	1.9
131.04929	2.5
149.06000	0.7
152.89743	0.2
166.07327	0.2
166.08611	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03153	0.7
53.03938	1.4
55.01858	0.7
55.05497	0.8
63.02376	0.3
64.03140	0.3
65.03937	1.0
66.04710	0.6
67.01871	0.4
67.05506	1.7
69.03426	0.6
69.07069	1.0
69.39107	2.2
71.04990	0.9
73.06557	0.4
77.03912	0.4
78.04710	16.8
79.05053	0.5
79.05493	5.0
81.03407	0.7
81.07058	1.9
83.04989	0.4
83.08613	0.4
91.05479	1.3
93.03399	0.6
93.07043	2.4
94.04165	1.2
95.04969	2.5
95.08604	1.5
96.05733	0.9
97.06546	0.7
101.29308	0.3
105.03407	0.9
105.06997	0.6
106.04175	8.3
107.04972	3.2
107.08602	2.1
109.02887	1.5
109.06526	0.9
109.10138	0.9
110.03654	0.6
111.04453	0.4
111.08067	0.8
120.02058	0.6
120.51170	0.3
121.02854	0.6
121.06458	0.7
121.08425	0.6
121.10124	1.5
122.03611	1.7
123.04433	28.3
123.11729	0.5
124.05225	7.3
125.06007	0.4
134.03650	1.9
135.04420	1.1
137.02371	0.6
137.06012	1.2
137.07901	0.7
139.07539	0.4
143.85262	0.3
149.02315	0.8
149.07971	0.5
149.09596	0.5
149.13249	0.8
150.03140	0.7
151.03903	6.2
151.38864	0.3
152.04689	6.1
165.05423	0.4
167.07039	100.0
168.04185	0.5
168.07484	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
52.03158	0.4
53.03931	1.4
55.01863	0.4
55.05511	0.6
56.96553	0.4
60.62257	0.3
65.03941	0.7
66.04707	1.2
67.05503	0.7
69.03439	0.5
69.07052	0.4
70.06584	0.5
70.67352	0.7
77.03928	0.6
78.04718	16.0
79.05069	0.7
79.05495	5.7
81.03410	1.3
81.07053	1.0
83.04978	0.8
85.02885	0.6
91.05467	1.6
93.03398	1.0
93.07041	1.3
94.04189	0.8
95.04974	2.9
96.05744	1.5
97.06543	0.6
97.39473	0.4
103.00634	0.8
105.03389	1.5
105.04543	0.5
106.04184	6.6
107.04432	0.3
107.04985	3.6
107.08609	0.8
109.02882	1.7
109.06515	0.5
111.08040	0.4
111.57825	0.4
120.02085	0.4
121.01664	1.1
121.02885	0.7
121.06522	1.7
121.08422	2.5
121.10146	0.6
122.03651	1.8
123.04436	30.1
124.05242	7.3
125.06053	0.4
134.03636	1.7
135.04454	1.7
137.02281	0.4
137.05972	1.1
138.03101	0.6
139.03918	0.5
139.07532	0.9
144.03285	0.5
144.95808	0.5
149.02368	1.2
149.06023	0.7
149.09587	0.4
150.03101	0.4
151.03911	6.9
152.04688	6.2
167.07050	100.0
168.04359	0.4
168.07446	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	MTHPA
Peak:m/z	Relative Intensity
50.88508	0.3
51.02384	0.3
51.94931	0.3
53.03948	3.7
55.01880	1.7
65.03933	0.5
65.35646	0.3
66.04725	0.3
67.05495	0.7
68.99784	0.6
69.03423	1.2
69.16697	3.3
71.06122	0.3
74.64557	0.3
77.03921	1.4
78.04729	1.9
78.70470	0.3
79.05499	14.6
81.03412	0.5
81.07065	3.5
83.04977	0.8
91.05489	12.8
92.05798	0.3
93.03391	0.3
93.07053	18.5
95.04974	3.2
95.08590	0.4
97.06533	0.9
98.21510	0.7
103.05466	1.1
105.03403	0.3
105.04512	1.7
105.07048	0.5
106.04192	0.8
107.04984	2.4
107.08617	0.6
108.02106	0.4
109.06528	0.4
111.04443	0.6
121.02891	3.7
121.06512	13.1
121.10113	0.5
122.06873	0.4
123.04443	4.1
123.08093	1.3
124.05213	1.0
125.06030	0.4
139.03844	0.5
139.07558	1.0
149.02382	0.7
149.05995	11.3
149.09712	0.3
151.03960	0.3
152.04689	0.8
167.07053	100.0
168.07370	2.5
176.38322	0.3
188.45813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.83845	0.3
52.03141	0.5
53.03935	1.2
53.28836	0.3
55.01865	0.7
55.05501	0.6
57.03428	0.4
59.63562	0.3
65.03938	0.7
66.04713	1.1
67.05489	1.0
67.20515	0.3
69.03427	0.4
69.07061	0.8
70.68851	0.6
71.04976	0.6
77.03918	0.4
78.04715	16.7
79.05495	6.4
81.03416	0.8
81.07062	2.6
83.04967	0.9
83.08614	0.4
85.02897	0.4
91.05498	1.3
93.03408	0.9
93.07040	2.1
94.04219	1.4
94.63967	0.3
95.04984	2.8
95.08624	1.7
96.05742	0.9
97.06521	0.6
105.03407	1.4
105.04524	0.9
105.07023	0.5
106.04176	7.4
107.04970	4.6
107.08576	2.6
109.02893	1.8
109.06536	1.3
109.10094	0.4
110.03690	0.4
111.04413	0.4
111.08092	0.8
120.02106	0.4
121.02885	0.7
121.06474	0.6
121.08465	0.7
121.10129	1.8
122.03662	1.5
123.04434	30.1
123.08105	0.5
124.05237	8.0
125.06013	0.6
125.09615	0.4
131.08583	0.4
134.03633	1.8
135.04427	1.4
137.02344	0.4
137.05969	1.2
137.07907	0.7
139.07565	0.6
149.02393	1.3
149.05911	0.3
149.09666	0.6
149.13307	0.4
150.03120	0.5
151.03911	5.7
152.04695	6.1
165.05557	0.3
167.07043	100.0
167.10732	1.7
168.07402	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03936	4.4
55.01871	2.9
55.05512	10.5
59.04995	3.5
60.32005	1.4
65.03941	1.8
67.05507	8.8
69.03419	4.7
69.07073	45.1
69.35302	5.2
69.35732	8.9
70.06585	2.0
79.05496	20.3
80.05036	1.5
81.03393	2.2
81.07066	13.8
82.06578	3.1
83.04976	5.1
83.08632	1.9
91.05483	12.6
93.07048	82.5
95.04971	3.8
95.06126	1.9
95.08607	12.5
97.06528	6.8
103.05492	2.3
105.04550	2.6
105.07037	25.7
107.04969	2.8
107.08614	10.3
109.02795	1.7
109.06505	3.2
109.07637	1.6
110.07135	1.5
110.72253	1.4
111.08061	2.3
111.11719	6.9
119.08561	3.4
121.01644	2.5
121.06593	2.1
121.08412	5.9
121.10147	100.0
122.05998	2.3
122.10452	1.9
123.08074	5.2
124.08636	1.7
125.08230	5.8
125.09595	3.0
126.05569	1.7
131.08592	1.8
137.07941	6.6
139.11159	2.8
140.03445	1.9
143.96718	5.2
149.02325	10.4
149.07901	4.2
149.09650	17.2
152.06198	10.2
153.06999	3.1
165.06961	4.5
166.07625	1.6
167.03433	4.1
167.07030	5.8
167.08691	31.7
167.10687	27.2
167.11774	2.2
167.12968	3.6
168.09148	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
55.01864	2.0
55.05510	9.1
57.03440	1.9
57.07067	2.8
59.04994	2.8
65.03934	2.3
66.04727	1.0
67.05508	13.9
68.99782	1.0
69.03417	2.5
69.07068	9.6
71.04998	14.7
73.06554	6.7
76.83162	0.8
77.03915	0.9
78.04710	17.7
79.05496	20.0
80.05051	0.8
81.03411	1.5
81.07058	21.1
82.07394	0.8
83.04974	3.5
83.08617	2.9
84.11201	0.7
85.06509	1.0
86.09888	0.7
86.31917	0.8
91.05487	6.8
93.03410	1.4
93.07047	20.5
94.04182	1.2
95.04974	5.7
95.08612	41.0
96.05777	2.0
97.06546	5.1
97.10149	0.8
104.02901	0.9
105.03366	1.6
105.07029	3.2
106.04181	8.1
107.04963	8.9
107.08595	23.3
109.02859	2.8
109.06524	2.0
109.10154	11.8
111.04441	1.8
111.08080	3.1
120.02108	0.8
120.08144	1.0
121.02910	1.0
121.05685	0.8
121.06522	2.9
121.08406	5.7
121.10143	12.6
122.03642	2.9
122.06032	0.8
123.04439	29.2
123.08109	1.1
123.11694	3.9
124.05221	10.2
125.05962	0.9
125.09612	3.2
134.03668	1.6
135.04391	2.8
137.05951	0.9
137.07925	2.8
139.07536	4.9
144.03394	0.7
149.02377	2.1
149.04941	1.1
149.06035	1.6
149.08022	0.9
149.09627	2.0
149.13271	10.0
150.03099	1.1
151.03874	5.5
152.04710	6.5
167.07043	100.0
167.08873	7.1
167.10678	3.1
167.14294	6.0
168.07513	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.2
53.03940	3.5
55.01873	2.0
55.05511	9.5
57.03444	2.3
57.07066	3.0
59.04987	2.7
65.03937	2.5
66.04686	0.8
67.05179	1.4
67.05510	17.7
69.03423	3.4
69.07070	10.0
71.04998	18.5
71.50469	1.2
73.06565	8.2
77.03898	1.3
78.04718	17.1
79.05495	20.8
81.03410	2.2
81.07066	22.0
83.04996	4.2
83.08608	2.8
85.47623	1.0
91.05491	8.2
93.03450	1.3
93.07051	21.3
94.04209	1.2
94.06537	1.0
94.07387	1.0
95.04981	6.7
95.08615	49.8
96.05736	1.1
97.06534	5.2
105.03372	1.5
105.04505	1.4
105.07021	4.6
106.04178	8.3
107.04956	7.2
107.08599	30.6
109.02882	2.5
109.06532	6.5
109.10155	12.1
111.04436	2.3
111.08089	3.5
121.02952	1.0
121.06501	3.6
121.08447	1.2
121.10157	16.6
122.03650	1.7
123.04440	27.1
123.08041	1.6
123.11702	4.3
124.05243	10.3
125.05985	2.6
125.09626	3.3
131.08594	1.8
133.07568	1.0
134.03665	2.0
135.04427	2.0
137.05986	1.4
137.07925	1.5
139.07552	3.2
143.05072	0.8
149.02412	2.8
149.06020	1.1
149.09622	2.9
149.13264	12.1
151.03883	5.8
152.04691	5.9
167.03433	2.7
167.07056	100.0
167.10751	3.3
167.14331	5.8
168.07481	1.4
171.99460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.01867	3.6
55.05515	85.7
56.86443	1.3
57.03437	3.0
57.07069	4.2
59.05006	8.7
63.98454	1.4
65.03933	2.7
67.05506	18.6
68.99773	1.3
69.03432	23.2
69.07073	11.1
71.04982	4.6
71.51242	1.5
77.03928	1.3
78.04719	14.8
79.05061	2.0
79.05492	20.9
80.05006	1.9
81.03411	3.5
81.05334	1.8
81.07063	22.3
83.04984	87.1
83.08624	42.1
85.02937	1.2
85.06537	6.2
87.04456	1.2
91.05486	10.8
91.11568	1.2
93.03355	1.6
93.07040	19.5
95.04976	6.0
95.08598	10.8
96.05763	1.6
97.02881	1.5
97.06528	6.1
97.10171	10.6
99.08092	2.4
105.04521	1.8
105.07028	7.8
106.04180	6.1
107.04969	8.0
107.08598	27.8
109.02874	2.7
109.06522	3.8
109.10158	20.5
111.04445	3.3
111.08088	25.8
112.08872	8.0
113.09641	3.3
119.08562	1.5
120.08037	1.6
121.01670	1.5
121.02891	2.3
121.06527	7.2
121.08444	4.9
121.10148	22.1
122.03659	2.7
122.06002	2.4
122.09700	1.5
123.04431	25.5
123.08065	5.0
123.11691	12.9
124.05257	7.7
125.05976	4.4
125.09630	14.7
131.08589	1.8
134.03677	1.7
135.04388	2.0
137.07890	6.4
139.03844	2.2
139.07555	1.9
139.11177	4.1
140.07089	1.5
144.03256	2.4
149.02348	6.3
149.04953	1.5
149.06035	7.2
149.07907	2.1
149.09595	6.8
149.13258	5.0
151.03920	5.3
152.04675	7.6
167.03387	5.9
167.07045	100.0
167.09198	15.7
167.10681	6.3
167.11957	2.2
167.14326	36.2
168.07434	1.2
168.10268	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	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67013	0.6
53.03948	3.0
55.01874	1.1
55.05512	4.4
57.07069	1.0
65.03943	0.8
66.04716	1.1
66.18002	0.7
67.05509	7.4
69.03428	1.3
69.07070	5.2
71.04994	6.0
71.51420	0.6
73.06557	3.1
78.04718	17.1
79.05067	1.1
79.05496	11.5
81.03426	1.6
81.07063	7.8
83.04974	2.3
83.08611	2.5
85.06534	1.0
91.05502	2.9
93.03410	1.1
93.07040	11.4
94.04191	0.8
95.04458	0.6
95.04953	3.8
95.08614	16.6
96.05771	1.0
97.06533	2.7
105.03380	1.7
105.04507	1.3
105.07031	1.9
106.04176	7.6
106.22086	0.7
107.04965	5.7
107.08601	11.8
109.02884	2.5
109.06516	2.0
109.10161	4.2
111.04432	1.3
111.08096	1.8
120.02103	0.6
121.02847	1.2
121.06509	3.8
121.08436	1.2
121.10148	7.8
122.03665	2.0
123.04436	27.3
123.08058	1.9
123.11694	1.5
124.05219	8.9
125.05963	1.7
125.09637	1.2
126.05528	0.6
134.03601	1.2
135.04446	1.8
137.05962	1.1
137.07933	1.5
139.07521	1.5
149.02335	2.4
149.06000	1.6
149.09586	1.9
149.13281	3.7
150.09218	0.7
151.03915	7.0
152.04730	6.6
165.07047	0.8
167.03369	2.5
167.07048	100.0
167.10704	2.1
167.14301	2.2
168.07399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01869	1.4
55.05506	4.0
57.03426	1.5
57.07068	1.0
64.41096	0.6
65.03940	0.9
66.04727	1.3
67.05507	11.0
69.03415	1.0
69.07069	5.6
71.04982	1.7
71.24254	1.1
73.06570	0.6
77.03938	1.0
78.04273	1.2
78.04708	16.0
79.05495	9.1
81.03416	1.0
81.07062	10.9
83.04971	2.9
83.08601	2.6
85.06536	1.1
91.05480	5.7
93.07050	13.8
94.04208	0.9
94.06567	0.7
95.04978	3.7
95.08611	7.9
96.05736	0.9
97.06520	7.6
97.10176	0.6
101.06852	0.7
105.03407	1.0
105.04520	1.3
105.07033	3.2
106.04156	7.1
107.04960	5.4
107.08598	43.2
108.08881	1.3
109.02876	1.7
109.06507	2.7
109.10157	28.5
111.08079	5.9
119.06061	1.3
121.02885	1.1
121.06522	1.6
121.10146	21.7
122.03646	1.2
122.82381	0.6
123.04431	28.8
123.08068	1.1
123.11723	4.7
124.05227	7.8
125.06019	1.2
125.09622	1.0
134.03615	1.6
135.04404	1.4
135.65605	0.6
137.06000	1.7
149.02335	2.0
149.05968	1.4
149.09682	1.0
149.13268	12.2
150.03134	0.7
151.03922	5.0
152.04695	5.9
155.11934	0.6
167.03401	1.9
167.07042	100.0
167.14310	6.4
168.07375	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	167.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67013	0.6
53.03948	3.0
55.01874	1.1
55.05512	4.4
57.07069	1.0
65.03943	0.8
66.04716	1.1
66.18002	0.7
67.05509	7.4
69.03428	1.3
69.07070	5.2
71.04994	6.0
71.51420	0.6
73.06557	3.1
78.04718	17.1
79.05067	1.1
79.05496	11.5
81.03426	1.6
81.07063	7.8
83.04974	2.3
83.08611	2.5
85.06534	1.0
91.05502	2.9
93.03410	1.1
93.07040	11.4
94.04191	0.8
95.04458	0.6
95.04953	3.8
95.08614	16.6
96.05771	1.0
97.06533	2.7
105.03380	1.7
105.04507	1.3
105.07031	1.9
106.04176	7.6
106.22086	0.7
107.04965	5.7
107.08601	11.8
109.02884	2.5
109.06516	2.0
109.10161	4.2
111.04432	1.3
111.08096	1.8
120.02103	0.6
121.02847	1.2
121.06509	3.8
121.08436	1.2
121.10148	7.8
122.03665	2.0
123.04436	27.3
123.08058	1.9
123.11694	1.5
124.05219	8.9
125.05963	1.7
125.09637	1.2
126.05528	0.6
134.03601	1.2
135.04446	1.8
137.05962	1.1
137.07933	1.5
139.07521	1.5
149.02335	2.4
149.06000	1.6
149.09586	1.9
149.13281	3.7
150.09218	0.7
151.03915	7.0
152.04730	6.6
165.07047	0.8
167.03369	2.5
167.07048	100.0
167.10704	2.1
167.14301	2.2
168.07399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03943	4.0
55.05276	1.4
55.05513	14.6
56.58247	1.3
57.03429	2.2
57.07066	2.8
59.04991	3.2
63.36985	1.4
65.03948	1.8
66.04710	1.8
67.05177	2.4
67.05508	28.9
69.03419	3.2
69.06737	1.9
69.07072	21.4
69.49702	10.3
71.04990	25.2
72.09179	1.4
73.06554	9.9
74.04647	1.4
78.04707	14.7
79.05492	20.7
81.07058	32.9
83.04977	4.5
83.08616	8.9
85.02858	1.5
85.06545	2.3
89.71864	1.5
90.04160	1.4
91.05479	9.1
93.06485	2.8
93.07047	34.7
95.04970	5.3
95.07999	3.5
95.08607	72.1
97.06526	8.6
97.10136	1.9
97.43555	1.3
105.04510	2.2
105.07022	6.3
106.04195	7.9
107.04939	6.0
107.08593	61.4
109.02892	2.5
109.06493	3.9
109.10161	34.7
111.08083	7.7
116.52371	1.4
121.01627	1.6
121.02840	1.6
121.06520	3.1
121.10135	27.9
123.04430	29.7
123.08102	1.7
123.11710	7.5
123.90057	1.4
124.05260	9.5
125.09617	3.4
134.03656	1.7
135.04419	2.7
149.02336	3.3
149.06007	3.3
149.09612	1.9
149.13255	29.1
151.03922	5.6
152.04663	4.8
167.03329	2.7
167.07042	100.0
167.08754	4.5
167.14319	10.9
168.07458	1.6
187.10739	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46790	0.8
51.83867	0.7
53.03937	1.1
54.34512	0.7
55.01879	0.9
55.05495	1.4
55.93524	1.5
56.94314	6.0
56.96567	49.2
57.03444	2.0
60.95854	1.5
61.02925	1.4
64.13672	0.6
65.03949	0.9
67.05515	2.1
67.92514	7.7
68.05038	0.9
68.96350	0.6
68.99801	0.7
69.03436	4.1
69.07057	1.2
70.03764	0.6
70.06596	1.7
70.39652	1.9
70.40038	1.3
70.94251	0.7
70.95873	6.2
70.98106	0.7
71.05004	1.4
71.95268	1.5
72.93795	9.0
72.96032	1.1
73.02917	2.0
74.36462	0.6
74.95367	0.9
74.97614	1.2
79.05499	2.1
80.05024	1.4
80.05870	1.2
81.03409	3.6
81.07049	1.9
82.06599	0.8
82.94848	16.9
83.04969	1.2
83.97615	0.7
84.08135	3.8
84.96043	5.3
85.02905	4.0
85.93560	1.0
85.94611	0.9
86.06122	0.7
87.35187	0.7
88.96905	1.6
90.94812	3.3
91.05473	1.0
92.05022	3.0
94.06559	3.3
95.01323	0.9
95.04984	1.9
95.06091	1.1
96.01550	1.0
96.04498	1.8
97.02911	3.7
97.96754	0.8
98.06067	1.7
98.97589	8.9
99.04468	2.0
100.95888	1.0
100.99158	1.0
101.00887	0.8
102.53119	1.0
102.96843	0.8
103.00632	1.7
106.06548	0.8
107.04957	2.8
107.54659	0.8
108.04483	1.9
108.05235	1.4
109.02891	4.8
109.99171	2.4
110.06034	1.1
110.97576	1.7
111.53635	1.7
112.03965	1.3
112.07598	2.8
112.99142	2.9
113.96414	1.4
115.00662	0.9
115.02418	1.4
116.98623	3.0
117.02017	1.0
119.01833	2.0
120.08142	0.8
121.01663	2.2
121.99362	1.0
122.06062	4.1
122.08712	0.8
122.09621	0.9
123.04512	0.8
123.97459	7.1
124.04768	1.3
124.07619	1.0
126.05541	2.8
126.93778	4.5
126.97060	2.8
127.00653	0.8
127.03915	1.9
128.98604	1.4
130.08710	1.1
131.00160	2.6
131.01883	1.0
132.95850	1.6
133.01727	0.9
134.06007	2.4
136.03888	1.1
138.02254	0.8
139.51494	1.9
140.00249	0.9
140.07082	1.8
141.05434	1.8
142.01810	1.3
144.03296	1.1
144.94812	6.8
144.95848	23.2
144.96931	1.4
144.98116	6.2
145.01845	1.3
145.03511	2.8
145.58574	0.9
146.99673	0.7
147.03241	1.6
149.01218	2.0
150.05513	9.8
150.09172	1.0
152.07063	4.4
154.05003	20.6
154.06213	1.4
156.03331	100.0
157.03548	0.7
158.99670	0.9
160.02765	0.8
162.95842	5.6
162.96928	13.4
162.99026	4.6
163.02785	2.8
167.96347	1.6
167.97594	1.2
168.03410	4.6
168.05153	1.2
168.06490	9.8
168.10233	4.2
168.14993	3.9
168.95850	1.8
168.98071	1.6
169.04988	0.9
173.01236	1.5
174.04398	95.2
177.00717	0.9
185.97452	1.4
186.04388	25.2
186.99200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01862	4.0
55.05511	1.3
55.93524	3.2
56.05026	2.3
56.94313	12.8
56.96568	60.9
57.03442	10.3
57.07076	0.8
57.94360	0.9
58.99865	2.8
59.18436	0.7
60.95855	0.9
60.99621	0.7
61.02928	10.3
65.03932	2.0
66.00517	1.5
67.05499	3.5
67.51052	1.1
68.00263	1.2
68.98285	1.4
69.03084	0.9
69.03431	11.1
70.06608	4.0
70.95866	5.5
70.98132	3.4
70.99856	4.3
71.01343	1.3
71.02978	0.8
71.04987	2.5
71.50040	0.9
71.95271	1.9
72.08139	1.0
72.93791	28.5
72.94203	1.4
73.02922	8.0
74.00253	1.6
74.95345	1.7
74.97610	1.9
75.01050	7.5
77.00899	2.7
79.01875	1.3
79.05486	3.2
80.00262	2.2
80.04983	1.0
81.01028	0.9
81.03423	6.7
81.07044	1.3
82.01424	1.2
82.06548	0.9
82.99841	2.5
83.00763	2.8
83.01301	1.2
83.04986	1.6
84.01571	14.0
84.04499	2.1
84.08145	1.7
84.96039	3.5
85.01360	1.1
85.02911	13.4
86.03272	0.9
86.27669	0.8
86.51820	1.4
86.52680	1.7
86.95342	1.8
86.99316	1.5
87.04448	1.4
88.01769	1.2
88.93257	2.3
88.96904	2.4
88.99153	1.0
89.00814	8.0
89.94048	1.4
90.01557	1.6
90.94832	12.1
91.02305	2.0
92.01278	1.5
93.02078	4.3
93.93989	0.7
93.99975	0.9
94.06551	1.1
95.00801	1.1
95.01335	4.1
95.01878	0.9
95.04961	3.1
95.06074	3.3
95.08577	0.7
95.52340	1.7
96.01563	2.6
96.08122	2.6
97.02309	1.4
97.02884	9.0
97.07652	3.9
97.96908	2.4
97.99185	3.0
98.01301	3.6
98.06042	0.7
98.97588	15.7
99.04466	1.9
99.94833	0.7
100.00043	0.7
100.02451	3.4
100.99138	2.4
101.00885	35.8
101.02502	2.3
102.00951	1.2
102.01582	1.0
102.02360	1.7
102.94822	3.3
103.00594	3.9
103.02445	1.6
103.03128	0.9
103.47517	1.6
104.01290	1.8
104.96373	3.9
105.00365	1.5
105.02129	1.0
106.01035	0.8
106.02873	1.2
106.06563	5.6
106.94291	0.9
106.98043	1.1
106.99003	0.7
107.03355	1.0
107.04934	1.6
107.95099	1.2
108.95885	1.0
109.02239	1.1
109.02880	7.2
109.07648	1.1
110.01304	4.9
110.03674	2.4
110.07166	1.1
110.97574	4.6
111.00825	1.8
111.02030	0.9
111.03766	1.0
111.04442	2.3
111.05595	1.3
112.01031	1.9
112.99132	4.2
113.00853	2.8
113.02382	4.5
113.96407	40.5
114.01002	1.0
115.00607	1.6
115.02409	3.0
115.03180	0.9
116.00232	1.3
116.02509	0.9
116.96408	0.8
116.98634	7.3
117.00228	1.7
117.02029	1.6
117.76067	0.6
118.01080	3.8
118.03629	1.3
119.01922	86.9
120.02022	3.1
121.01707	3.6
122.97442	1.5
123.00790	3.2
123.04438	3.1
123.05528	3.0
123.06773	0.8
123.08093	0.7
123.09161	1.0
124.04678	1.2
124.07590	8.0
124.95410	1.5
124.99963	1.6
125.01692	1.4
125.06171	0.6
125.07118	17.1
125.96153	1.1
126.00736	1.0
126.03115	2.5
126.98786	2.9
127.02397	2.3
127.03922	3.9
127.97977	5.1
128.02361	3.5
128.95091	2.4
128.98592	5.1
129.02087	0.7
130.02805	1.4
130.96631	1.6
131.00191	11.9
131.01871	9.7
131.97446	17.4
132.01947	3.6
132.95821	1.8
133.01730	4.3
133.03470	6.4
134.00505	8.5
134.06021	55.2
134.99652	1.9
136.50763	0.9
137.02983	12.4
140.96309	0.7
140.98605	1.1
141.01202	1.2
141.04132	1.6
141.05458	7.3
141.10251	0.7
142.03494	3.2
142.96558	1.0
143.00140	1.1
143.01930	1.2
144.95824	2.9
144.98079	0.8
144.99815	8.7
145.01701	2.4
145.03450	13.8
145.51280	2.8
145.96059	3.6
145.98978	6.2
145.99962	1.5
146.03636	3.6
146.96161	2.3
146.97403	4.2
146.99574	4.2
147.01395	1.9
147.03206	1.5
148.97702	2.8
149.01218	21.6
149.02966	1.7
150.01628	1.1
150.96872	0.8
151.02702	1.5
151.03914	3.9
151.05011	2.3
151.06023	1.3
151.08638	4.2
152.07069	100.0
154.99037	1.7
155.00154	0.9
155.01874	2.2
155.03667	1.3
156.03389	1.0
157.03300	1.7
157.04384	1.3
158.99622	2.3
159.03215	1.4
161.01207	1.3
161.03012	1.6
162.96884	2.7
162.99178	0.9
163.00798	1.1
163.02740	1.9
163.04546	2.4
163.97131	2.1
164.00993	1.1
164.98518	2.1
165.00731	1.2
167.02251	5.1
168.95885	3.6
168.98152	1.8
168.99814	0.9
169.03488	4.5
169.04974	5.4
169.06062	0.8
169.09683	7.2
170.08130	2.8
170.09500	1.0
173.01332	0.9
173.02989	2.6
174.96933	0.9
175.02740	1.2
175.04559	2.1
177.00766	1.2
178.04900	1.0
185.03000	1.2
186.96944	1.3
186.99142	5.1
187.00882	3.1
187.02507	1.0
187.04512	2.6
189.00723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01862	4.0
55.05511	1.3
55.93524	3.2
56.05026	2.3
56.94313	12.8
56.96568	60.9
57.03442	10.3
57.07076	0.8
57.94360	0.9
58.99865	2.8
59.18436	0.7
60.95855	0.9
60.99621	0.7
61.02928	10.3
65.03932	2.0
66.00517	1.5
67.05499	3.5
67.51052	1.1
68.00263	1.2
68.98285	1.4
69.03084	0.9
69.03431	11.1
70.06608	4.0
70.95866	5.5
70.98132	3.4
70.99856	4.3
71.01343	1.3
71.02978	0.8
71.04987	2.5
71.50040	0.9
71.95271	1.9
72.08139	1.0
72.93791	28.5
72.94203	1.4
73.02922	8.0
74.00253	1.6
74.95345	1.7
74.97610	1.9
75.01050	7.5
77.00899	2.7
79.01875	1.3
79.05486	3.2
80.00262	2.2
80.04983	1.0
81.01028	0.9
81.03423	6.7
81.07044	1.3
82.01424	1.2
82.06548	0.9
82.99841	2.5
83.00763	2.8
83.01301	1.2
83.04986	1.6
84.01571	14.0
84.04499	2.1
84.08145	1.7
84.96039	3.5
85.01360	1.1
85.02911	13.4
86.03272	0.9
86.27669	0.8
86.51820	1.4
86.52680	1.7
86.95342	1.8
86.99316	1.5
87.04448	1.4
88.01769	1.2
88.93257	2.3
88.96904	2.4
88.99153	1.0
89.00814	8.0
89.94048	1.4
90.01557	1.6
90.94832	12.1
91.02305	2.0
92.01278	1.5
93.02078	4.3
93.93989	0.7
93.99975	0.9
94.06551	1.1
95.00801	1.1
95.01335	4.1
95.01878	0.9
95.04961	3.1
95.06074	3.3
95.08577	0.7
95.52340	1.7
96.01563	2.6
96.08122	2.6
97.02309	1.4
97.02884	9.0
97.07652	3.9
97.96908	2.4
97.99185	3.0
98.01301	3.6
98.06042	0.7
98.97588	15.7
99.04466	1.9
99.94833	0.7
100.00043	0.7
100.02451	3.4
100.99138	2.4
101.00885	35.8
101.02502	2.3
102.00951	1.2
102.01582	1.0
102.02360	1.7
102.94822	3.3
103.00594	3.9
103.02445	1.6
103.03128	0.9
103.47517	1.6
104.01290	1.8
104.96373	3.9
105.00365	1.5
105.02129	1.0
106.01035	0.8
106.02873	1.2
106.06563	5.6
106.94291	0.9
106.98043	1.1
106.99003	0.7
107.03355	1.0
107.04934	1.6
107.95099	1.2
108.95885	1.0
109.02239	1.1
109.02880	7.2
109.07648	1.1
110.01304	4.9
110.03674	2.4
110.07166	1.1
110.97574	4.6
111.00825	1.8
111.02030	0.9
111.03766	1.0
111.04442	2.3
111.05595	1.3
112.01031	1.9
112.99132	4.2
113.00853	2.8
113.02382	4.5
113.96407	40.5
114.01002	1.0
115.00607	1.6
115.02409	3.0
115.03180	0.9
116.00232	1.3
116.02509	0.9
116.96408	0.8
116.98634	7.3
117.00228	1.7
117.02029	1.6
117.76067	0.6
118.01080	3.8
118.03629	1.3
119.01922	86.9
120.02022	3.1
121.01707	3.6
122.97442	1.5
123.00790	3.2
123.04438	3.1
123.05528	3.0
123.06773	0.8
123.08093	0.7
123.09161	1.0
124.04678	1.2
124.07590	8.0
124.95410	1.5
124.99963	1.6
125.01692	1.4
125.06171	0.6
125.07118	17.1
125.96153	1.1
126.00736	1.0
126.03115	2.5
126.98786	2.9
127.02397	2.3
127.03922	3.9
127.97977	5.1
128.02361	3.5
128.95091	2.4
128.98592	5.1
129.02087	0.7
130.02805	1.4
130.96631	1.6
131.00191	11.9
131.01871	9.7
131.97446	17.4
132.01947	3.6
132.95821	1.8
133.01730	4.3
133.03470	6.4
134.00505	8.5
134.06021	55.2
134.99652	1.9
136.50763	0.9
137.02983	12.4
140.96309	0.7
140.98605	1.1
141.01202	1.2
141.04132	1.6
141.05458	7.3
141.10251	0.7
142.03494	3.2
142.96558	1.0
143.00140	1.1
143.01930	1.2
144.95824	2.9
144.98079	0.8
144.99815	8.7
145.01701	2.4
145.03450	13.8
145.51280	2.8
145.96059	3.6
145.98978	6.2
145.99962	1.5
146.03636	3.6
146.96161	2.3
146.97403	4.2
146.99574	4.2
147.01395	1.9
147.03206	1.5
148.97702	2.8
149.01218	21.6
149.02966	1.7
150.01628	1.1
150.96872	0.8
151.02702	1.5
151.03914	3.9
151.05011	2.3
151.06023	1.3
151.08638	4.2
152.07069	100.0
154.99037	1.7
155.00154	0.9
155.01874	2.2
155.03667	1.3
156.03389	1.0
157.03300	1.7
157.04384	1.3
158.99622	2.3
159.03215	1.4
161.01207	1.3
161.03012	1.6
162.96884	2.7
162.99178	0.9
163.00798	1.1
163.02740	1.9
163.04546	2.4
163.97131	2.1
164.00993	1.1
164.98518	2.1
165.00731	1.2
167.02251	5.1
168.95885	3.6
168.98152	1.8
168.99814	0.9
169.03488	4.5
169.04974	5.4
169.06062	0.8
169.09683	7.2
170.08130	2.8
170.09500	1.0
173.01332	0.9
173.02989	2.6
174.96933	0.9
175.02740	1.2
175.04559	2.1
177.00766	1.2
178.04900	1.0
185.03000	1.2
186.96944	1.3
186.99142	5.1
187.00882	3.1
187.02507	1.0
187.04512	2.6
189.00723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
50.50941	0.4
53.03952	2.2
55.01864	1.5
55.05523	1.1
57.03424	0.8
59.04979	0.5
60.20284	0.5
63.77365	0.4
65.03938	2.0
67.01870	12.9
67.05513	5.5
68.05840	0.4
68.99790	3.1
69.03432	1.4
69.07071	1.0
70.06599	0.8
70.42366	0.5
70.42696	1.1
71.05010	2.9
74.63158	0.4
79.05499	1.3
81.03425	5.4
81.07066	3.1
83.04986	1.5
83.08646	0.4
85.02909	2.0
85.06579	0.5
86.23161	0.4
91.05464	0.9
93.03431	1.1
93.07059	1.1
95.04975	7.3
95.08614	1.8
97.02898	1.6
97.06555	0.6
99.04474	3.9
101.61378	0.4
105.07001	0.9
107.08604	0.8
109.02895	7.8
109.06505	2.9
109.10179	1.9
111.00785	1.0
111.04459	2.4
111.08077	1.3
115.05449	0.7
123.04438	39.6
123.08074	1.2
123.11717	1.9
124.04751	0.7
124.07586	1.1
125.06084	0.6
125.68814	0.4
126.03134	2.4
127.03931	21.1
129.03094	0.4
133.10132	0.5
134.06023	1.3
137.02316	0.5
137.05966	0.6
141.05470	4.6
141.07022	1.3
151.03915	56.9
151.11180	1.1
152.04283	1.3
152.07062	1.8
154.07712	1.0
155.03395	0.4
163.97749	0.9
169.04980	100.0
169.10098	2.4
170.05309	2.2
170.08258	0.6
170.09712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	Methyl 3,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
51.02401	0.6
53.03709	0.7
53.03952	10.0
55.01872	1.1
57.03436	1.6
57.27861	0.4
57.76006	0.3
67.01862	0.8
67.05504	0.6
69.03433	0.8
69.26582	0.7
69.26988	3.2
71.05003	4.7
81.03426	41.1
82.03761	0.7
82.04198	0.6
83.01356	3.3
85.02917	1.5
97.02903	7.3
99.04462	4.5
109.02890	40.3
110.03729	2.7
111.00808	0.5
123.04443	1.0
124.36009	0.4
127.03928	100.0
128.04272	1.1
130.62965	0.4
141.05479	0.7
141.06990	0.7
154.07799	0.9
169.04985	17.0
169.10146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
51.62701	0.5
53.03930	0.9
55.01862	1.2
55.05499	2.7
57.03439	0.8
57.17918	0.5
57.52075	0.6
59.49135	0.5
65.03929	1.2
67.01865	22.9
67.05502	7.6
68.04994	0.6
68.99795	6.4
69.07052	2.4
69.41136	5.0
69.68402	0.6
70.09834	0.7
71.04982	2.8
74.04362	0.6
79.05480	2.5
81.03406	2.8
81.07049	8.5
83.04971	3.7
85.02905	13.4
85.06533	1.1
93.03392	1.7
93.07017	1.7
95.04963	8.1
95.08614	2.9
97.06529	1.2
99.04501	0.9
105.07020	1.2
107.08580	1.3
109.02898	4.1
109.06519	2.1
109.10159	4.0
111.00789	1.4
111.04445	1.7
111.08054	1.1
113.05974	0.7
123.04430	37.3
123.08086	1.9
123.11710	4.7
124.04778	0.6
124.07588	0.7
125.06005	1.0
126.03099	1.2
127.03918	19.3
133.10121	0.8
141.05467	2.6
151.03908	72.4
151.11166	3.9
152.04282	1.3
152.07068	1.7
169.04967	100.0
169.07556	4.0
169.12195	1.4
170.05313	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03952	14.6
55.01865	1.8
55.05500	1.5
57.03428	1.6
64.97136	0.8
65.03932	2.6
67.01871	1.6
67.05505	2.0
68.99799	1.1
69.03410	1.5
71.04992	8.4
71.51485	1.0
79.05504	1.5
81.03425	54.5
81.07053	2.2
83.01339	3.3
83.04967	1.1
85.02895	2.3
93.03380	0.9
93.07016	1.0
95.04950	2.2
95.08616	1.9
97.02903	15.1
99.04466	14.7
109.02885	56.4
109.06512	1.2
109.10178	2.1
110.03687	2.2
111.00826	1.7
111.04452	1.9
123.04441	2.6
123.11763	1.2
126.03144	1.8
127.03926	100.0
128.04259	1.6
134.33632	1.1
141.05443	7.4
141.07054	2.7
151.03909	1.4
152.07111	1.3
154.07787	3.2
169.04996	22.3
169.06351	1.3
169.07585	3.8
169.10034	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	171.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39713	0.6
63.91051	0.7
68.99805	2.1
70.99134	1.0
70.99467	0.9
72.04512	2.0
72.48647	0.5
74.37614	0.6
89.03915	1.1
89.07143	1.0
91.05494	2.8
98.20695	0.6
98.21278	1.1
102.65129	0.6
103.05476	1.4
105.03404	2.1
115.05457	93.8
116.05782	2.2
128.06227	1.6
129.03334	3.4
129.06892	0.7
133.02849	4.0
135.04729	0.6
143.04927	69.2
143.08592	1.8
144.05243	2.2
146.03697	0.8
147.04442	1.4
156.09406	1.2
161.05984	100.0
162.06340	2.9
168.49660	0.7
171.04398	65.2
171.11682	0.8
172.04675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64417	0.4
53.25067	0.4
55.01873	0.4
55.05511	0.8
62.72242	0.3
65.26476	0.3
68.99779	3.2
72.04527	2.8
75.02370	0.3
77.39501	0.3
79.05515	0.5
83.08645	0.7
84.94279	0.4
89.03922	0.7
89.07130	1.9
91.05470	3.1
103.05481	2.0
105.03410	1.2
115.05460	90.2
116.05794	1.7
119.04971	0.5
121.02899	0.4
128.06201	1.9
129.03384	3.2
129.07098	0.8
130.28529	0.3
133.02853	4.6
139.03845	0.6
141.07001	0.6
142.07753	0.5
143.04929	63.5
143.08551	2.0
144.05272	1.9
146.03653	0.7
147.04388	1.1
151.03955	0.6
153.06952	0.8
156.09377	1.8
161.05988	100.0
162.06326	2.9
171.04402	70.5
171.05508	3.9
171.07993	1.3
171.11714	2.4
171.14931	1.1
172.04739	2.4
184.07596	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55538	0.5
55.01864	1.0
68.99794	2.5
69.65431	0.5
69.77296	2.9
72.04513	3.1
80.97227	0.6
83.08575	0.6
85.47408	0.6
89.03902	0.7
89.07148	1.6
91.05457	3.4
98.21492	1.0
103.05457	1.3
105.03365	1.7
115.05450	100.0
116.05793	1.5
119.04954	0.6
128.06197	1.4
129.03354	2.6
129.06960	0.9
133.02840	5.4
143.04921	68.3
143.08557	1.8
144.05301	0.8
147.04407	1.5
153.06961	1.3
156.09305	2.0
158.17917	0.5
160.57405	0.5
161.05977	96.9
162.06366	2.2
171.04390	63.9
171.05504	3.4
171.11667	1.3
171.14934	1.4
172.04727	1.3
184.07568	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83665	0.6
52.19320	0.7
55.05522	1.2
56.43329	0.6
65.03946	1.1
68.99802	2.5
71.00056	1.8
72.04514	4.5
74.80967	0.7
83.08630	1.0
89.03891	0.7
89.07149	2.6
91.05494	3.3
102.82218	0.7
103.05476	1.8
105.03378	1.5
111.04391	0.8
115.05460	99.8
116.05800	1.8
124.06813	0.7
128.06218	2.3
129.03372	2.1
129.06985	1.6
133.02844	4.8
139.03873	0.7
141.06966	1.0
143.04935	67.7
143.08572	3.8
144.05281	2.0
147.04393	1.8
153.07008	1.0
156.09377	5.3
161.05992	100.0
162.06322	2.1
171.04410	68.9
171.05504	3.7
171.11693	3.7
171.14967	1.4
172.04785	1.8
184.07631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65048	0.7
53.03937	1.8
55.01872	6.3
55.05512	6.7
56.05019	1.1
56.96302	1.1
56.96572	13.2
57.03434	1.1
61.59915	0.9
65.03619	1.5
65.03945	28.5
67.05498	2.5
68.02610	0.9
68.96335	1.4
68.99793	9.9
69.03430	5.4
69.07050	2.1
70.06601	1.2
70.63828	1.6
70.94260	5.4
71.04976	2.2
72.04219	0.8
72.04524	8.1
72.08156	1.8
72.93774	2.2
73.02917	3.3
73.13853	0.7
73.73498	0.7
75.05592	2.4
77.84686	0.7
79.05500	2.0
81.03421	6.1
81.07059	1.2
82.06577	0.9
83.01312	1.1
83.04987	13.4
83.08611	2.1
84.08147	1.0
86.09712	46.4
88.90846	2.6
88.95297	3.2
89.07157	5.7
93.03411	12.9
93.07071	0.9
95.04986	1.1
96.02099	1.3
97.02896	2.5
98.97588	5.6
99.04476	3.8
107.04959	1.0
109.02853	1.3
109.06492	1.3
109.98952	1.8
110.06039	2.3
110.07162	4.1
110.97577	3.0
111.00813	2.3
111.04449	89.9
111.96841	1.4
112.04678	0.7
113.31148	0.6
116.98630	3.1
117.05483	4.7
121.02901	1.5
121.03997	9.2
125.06010	1.6
126.01140	0.8
126.09198	1.4
127.03915	0.9
128.00026	0.7
128.98611	2.2
129.93478	1.7
130.96301	5.6
139.00296	8.0
139.03912	100.0
140.04256	1.3
143.11792	6.6
147.94519	1.1
147.96684	1.5
148.97328	4.1
153.01826	3.2
153.05487	1.4
153.06583	1.1
153.97943	1.5
156.03737	1.0
156.07726	2.4
156.09370	0.8
157.01395	3.6
157.02568	0.8
159.03667	1.8
165.97694	1.1
170.99605	1.1
171.02896	2.7
171.06566	6.7
171.15005	3.5
171.98935	1.2
183.00793	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	171.0654
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.02396	0.6
53.03939	1.0
55.01873	4.2
55.05514	4.3
56.96560	0.7
65.03944	31.7
67.05508	2.1
68.99792	10.6
69.03434	1.9
69.07068	0.6
69.64423	3.0
70.43422	0.4
70.94247	1.0
71.01360	0.8
71.04974	0.4
72.04520	2.0
72.08147	0.5
79.01859	1.0
81.03428	4.6
83.01342	0.7
83.04986	12.7
83.08634	0.5
86.09684	0.6
89.07164	0.8
93.03410	15.2
96.02112	1.2
97.02898	1.8
98.97575	0.6
100.07624	1.7
109.06553	0.5
111.04447	88.2
112.04797	0.9
121.02905	1.8
121.03994	10.3
127.03880	0.5
134.06026	0.5
139.00302	4.6
139.03909	100.0
140.04317	1.0
157.01320	1.0
171.06517	4.7
171.07774	0.8
171.14897	1.2
187.29106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
52.09623	0.9
53.03931	2.8
55.01867	2.6
55.03279	0.9
55.05516	18.8
57.03437	2.1
57.07081	11.6
59.05003	4.3
59.54464	1.0
61.02911	1.7
65.03955	1.1
67.05510	11.8
67.27147	0.9
68.99799	1.9
69.03430	3.1
69.07074	100.0
70.94258	1.0
71.04989	6.9
71.08637	2.4
71.50978	1.6
72.04527	15.9
72.08128	1.2
73.06569	1.0
79.05502	6.8
81.07066	34.7
83.05002	5.0
83.08620	24.7
84.08923	0.9
85.02905	2.7
89.07158	9.8
91.05490	5.3
93.07054	24.0
95.04966	1.4
95.08617	32.3
97.06539	13.8
101.06039	3.9
105.07043	2.3
107.08605	26.3
109.10163	30.5
111.04459	2.3
111.08093	2.7
111.11738	3.2
115.05458	6.3
115.07586	1.3
119.08662	1.0
123.11723	3.7
125.13261	1.1
128.06229	6.8
129.07010	5.4
130.07846	1.0
135.11696	21.2
139.00281	3.9
139.03908	2.8
141.07005	4.2
142.07835	1.6
143.04970	2.6
143.08559	12.6
153.05455	1.3
153.12746	14.0
155.08598	1.8
156.09358	16.5
157.01320	1.0
161.06024	2.8
171.02980	1.8
171.04417	4.3
171.08046	4.2
171.11693	15.0
171.13654	6.5
171.15057	7.6
172.05246	1.0
185.43553	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98196	0.4
55.05517	3.5
56.36906	0.4
57.07074	2.1
57.38561	0.3
59.05002	0.4
66.73341	0.5
67.05516	3.1
70.82765	0.4
70.83119	1.2
74.40963	0.4
79.05495	3.3
81.07057	3.5
83.05003	2.0
91.05486	17.2
93.07047	3.7
94.77184	0.4
95.08611	1.7
101.06041	1.5
103.05452	0.6
105.07034	9.9
107.08562	1.0
111.04447	4.0
115.05447	2.0
116.06242	1.9
117.07027	15.1
119.08599	3.9
121.89683	0.4
126.77769	0.4
127.07622	0.5
129.05507	1.0
129.07007	5.4
130.07813	2.3
131.08574	100.0
132.08832	2.2
133.10139	0.5
143.08580	1.7
144.09326	2.7
145.06570	0.5
145.10136	17.5
146.10437	0.5
155.07043	1.6
158.10971	1.0
171.11729	1.5
173.08211	2.7
173.13272	68.1
174.13623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03953	0.3
54.31882	0.3
55.05516	2.7
57.07084	1.7
59.05028	0.4
63.15450	0.3
67.05509	3.1
71.06200	0.4
71.06528	0.7
74.88783	0.3
79.05500	4.2
81.03461	0.3
81.07060	4.0
83.04977	1.7
84.35751	0.4
91.05488	17.4
93.07048	3.5
95.08622	2.1
101.06030	1.3
103.03289	0.4
103.05502	0.5
105.07037	10.7
107.08599	1.1
111.04446	2.8
115.05453	1.8
116.06248	2.0
117.07030	16.3
118.07297	0.4
119.08577	4.7
121.42581	0.4
128.06259	0.5
129.05495	0.5
129.07008	6.1
130.07796	2.2
131.08575	100.0
132.08813	1.7
133.10153	0.4
143.08588	2.1
144.09346	2.9
145.10135	20.2
155.07024	1.3
158.10904	1.6
171.11687	1.4
173.08308	2.5
173.13275	74.1
174.13605	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.16477	0.5
55.05516	2.7
56.30377	0.5
56.84411	0.6
60.38643	0.6
63.75220	0.6
67.05488	2.0
67.18411	0.7
69.27625	4.5
72.93809	1.4
79.05485	0.9
81.07049	1.1
83.04973	2.0
90.94812	1.1
91.05480	8.2
101.06010	1.9
102.04680	1.0
103.05477	1.6
105.07033	5.2
111.04424	3.2
115.05453	16.2
116.06264	1.1
117.07020	10.4
119.08583	11.4
120.79517	0.6
126.86395	0.5
127.05426	0.7
128.06184	1.5
129.06999	5.5
130.04185	1.3
130.07788	2.3
131.08568	40.5
132.08894	0.7
133.10141	3.7
134.45204	0.5
138.60974	0.6
142.30859	0.5
143.04932	1.1
143.08563	24.5
144.09343	6.0
145.06482	8.6
145.10132	22.2
149.96091	0.7
155.06026	4.6
155.07077	1.7
156.09348	1.1
157.10127	1.7
158.10918	44.2
171.11674	1.8
173.04623	1.1
173.06000	7.3
173.08145	2.4
173.13266	100.0
174.13573	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.9851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45252	0.4
55.01896	0.4
55.93527	1.9
56.73836	0.5
56.94311	0.4
56.96566	5.0
57.03441	1.0
59.05013	0.4
60.04529	1.3
60.05653	1.4
67.20759	0.4
69.03436	1.3
69.07044	0.4
70.06596	4.9
70.18088	0.6
70.18484	0.9
70.95866	40.0
72.08154	1.3
72.93791	26.7
73.02919	1.4
73.93851	0.5
73.94553	0.5
81.03437	0.4
84.08157	1.9
85.02915	1.1
86.09712	1.0
88.96905	4.6
90.90384	0.8
90.94830	4.7
92.90079	1.4
96.01605	0.5
97.02892	1.2
98.97590	4.4
101.00874	0.9
103.02503	0.4
106.79368	0.4
110.03706	0.5
110.97574	2.4
111.02882	0.4
111.98479	40.3
113.96418	3.4
113.98566	0.4
114.05528	1.7
114.94775	3.2
116.07092	1.5
116.98650	0.9
119.01896	1.1
120.83202	0.4
128.02328	0.4
128.07109	0.6
128.10722	2.8
128.98610	0.9
129.10239	0.5
129.99515	8.9
130.09694	0.5
131.96159	1.9
131.97435	3.3
132.95839	100.0
133.03481	0.7
133.92680	0.6
133.96106	0.5
142.95380	0.8
143.01993	0.4
145.03526	0.6
146.06221	0.5
146.99527	0.4
149.96088	0.6
149.97266	0.8
149.98409	0.8
150.96892	58.1
151.93794	0.7
151.97055	0.5
153.01050	0.4
155.97427	31.7
156.98007	1.1
158.99670	0.7
161.06572	0.7
168.81850	0.3
168.98058	0.9
171.37213	0.4
173.98491	19.8
174.12416	0.4
174.99159	2.0
175.04556	0.8
175.11919	0.6
193.00157	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Amino acid(Arg-)
Peak:m/z	Relative Intensity
54.16198	0.4
54.19893	0.5
55.05505	0.8
56.94308	1.2
56.96568	4.7
57.03436	1.6
60.05651	37.3
61.02939	0.7
69.03438	1.3
70.06595	100.0
70.15869	0.9
70.16258	1.0
70.98116	1.0
70.99861	0.5
71.04990	2.4
71.06910	0.6
72.08155	10.2
72.93796	0.9
73.02929	1.5
82.99866	1.0
84.08146	1.7
84.34500	0.4
85.01414	2.9
85.02911	1.2
86.62644	0.4
86.95348	1.2
88.07626	0.6
90.39719	0.5
90.94848	1.0
92.90092	1.8
94.39498	0.4
97.01377	0.4
97.02889	1.1
97.07668	0.7
98.06048	1.0
98.97582	4.0
100.99100	0.5
101.00885	8.0
102.94822	0.5
103.00640	0.5
103.02448	3.3
110.97609	1.1
111.53656	0.5
112.07591	1.0
112.08009	0.5
112.08731	5.1
113.00859	0.6
113.07164	0.5
113.84512	0.4
114.10282	0.8
115.00671	0.4
115.02430	2.3
115.08698	1.5
116.07095	28.2
116.98659	0.8
119.01930	9.0
120.01969	0.4
121.01679	0.6
121.03475	0.6
124.95490	0.5
126.03492	0.5
128.98624	1.0
130.08754	0.6
130.09764	12.5
131.01918	1.4
132.02087	0.8
132.95836	9.1
132.98087	0.7
133.03467	10.4
133.92693	1.2
133.96054	0.9
135.03171	0.5
137.02939	1.1
139.98848	0.4
142.96483	0.6
143.01924	0.7
144.39587	0.5
145.03467	3.2
150.96927	2.1
151.04556	1.8
151.93727	0.9
157.03494	0.7
157.10857	1.0
158.08011	0.7
158.09247	9.5
161.02963	0.7
163.04509	0.9
173.02916	0.6
174.99170	1.3
175.04535	12.6
175.11917	21.4
176.04651	0.5
185.02994	0.4
187.02757	0.5
193.00162	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05516	10.5
57.07071	1.4
58.41031	0.7
67.05511	2.8
67.49580	0.6
69.07072	24.3
70.06591	1.4
70.91773	1.6
78.04710	0.9
79.05508	3.2
81.07064	6.2
83.08622	5.6
91.05488	15.1
93.07047	4.6
95.04868	0.7
95.08603	5.1
98.98468	11.0
101.52361	0.6
103.05452	2.9
104.06252	2.2
105.07037	31.0
106.07372	0.6
107.04952	1.2
107.08605	6.0
115.05465	5.5
117.07037	5.2
119.08590	99.7
120.08878	1.3
121.10177	3.0
128.06204	2.2
129.07011	2.4
130.06529	11.3
131.08580	4.9
132.05724	5.7
132.09319	0.7
133.02753	0.8
133.10139	80.2
134.10471	1.2
135.11694	1.5
142.07573	0.6
145.06454	0.7
145.10135	7.7
147.08029	4.7
147.10658	1.2
147.11702	12.9
157.10164	0.7
159.11623	1.2
160.05202	6.1
160.12486	4.3
173.13263	2.5
175.07570	10.8
175.14836	100.0
176.15158	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03934	2.1
54.89468	0.7
55.05514	5.4
65.03928	0.9
67.05509	15.6
69.07067	3.7
69.37334	5.2
70.06596	0.6
73.94375	0.6
77.03899	0.6
79.05499	20.6
81.07060	36.1
83.08611	1.1
91.05489	34.0
93.07052	38.5
95.04986	1.3
95.08615	28.0
97.02866	0.7
98.98475	49.7
103.05484	1.3
105.07040	32.6
107.04923	0.6
107.08604	11.3
109.10177	3.1
111.04480	0.6
114.49662	0.6
115.05499	1.2
116.99495	0.8
117.07018	2.6
119.08590	35.3
121.10141	6.0
129.07048	0.9
131.08582	4.5
133.10144	41.2
142.07788	2.3
145.10112	1.4
147.04488	1.1
147.05568	0.6
147.08037	0.9
147.11690	18.4
149.40207	0.7
157.04315	1.7
157.10149	2.9
158.06053	1.1
160.05164	0.9
160.74962	0.7
173.13277	1.9
175.03813	0.7
175.07529	2.5
175.11285	7.1
175.14839	100.0
176.07114	1.2
176.15158	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
51.02391	0.7
54.51919	0.9
55.05514	9.8
57.07061	1.5
67.05488	3.1
69.07072	22.9
70.07407	0.8
70.81801	1.4
79.05492	4.2
81.07057	9.2
83.08620	4.3
91.05490	10.1
93.07077	4.3
93.07542	0.9
95.08615	4.8
98.98438	1.6
103.05451	1.3
104.06247	0.9
105.07037	27.2
107.08608	5.6
117.07021	3.4
119.08591	95.4
121.10136	2.3
131.08553	5.4
133.10138	76.9
134.10478	1.1
145.10124	8.8
146.10867	1.6
147.11702	13.7
159.11758	0.9
160.05219	0.8
160.12503	5.0
171.91641	0.7
173.13293	2.3
175.07614	1.2
175.14838	100.0
176.15161	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03942	2.0
54.15906	0.6
55.01862	0.6
55.05510	7.8
57.07077	1.5
60.05635	0.8
62.78070	0.6
65.03942	1.3
67.05501	2.6
69.07069	24.3
70.06593	2.6
70.70817	1.9
79.05505	4.9
81.07061	6.1
83.08611	4.3
91.05477	16.4
92.90089	2.7
93.07045	4.5
95.04958	0.9
95.08606	6.0
97.02895	1.2
98.98466	64.7
100.32140	0.6
103.05446	2.1
105.07032	30.7
107.08595	6.3
115.05490	3.6
116.07107	0.8
116.97189	0.8
116.99520	0.9
117.07034	5.0
119.04944	1.4
119.08580	98.5
120.08884	1.3
121.10140	3.3
127.03957	0.9
128.06226	1.1
129.07014	2.8
131.04938	1.2
131.08554	6.1
132.05714	1.2
133.10130	79.5
133.92931	1.1
134.10469	2.2
135.11668	1.3
140.01099	0.9
142.07838	0.9
145.10129	8.0
147.04422	3.7
147.08066	2.1
147.11682	13.3
151.93889	3.2
157.04292	2.1
157.10172	1.9
159.11795	0.8
160.05183	4.8
160.12469	3.9
173.13228	2.6
175.01524	1.5
175.03883	1.9
175.07477	9.8
175.11340	5.0
175.14821	100.0
176.07050	1.1
176.15157	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05271	0.9
55.05513	9.5
57.07060	1.4
63.53471	0.7
67.05505	2.6
69.07076	27.5
70.76778	2.5
79.05475	3.0
81.07064	6.0
83.08635	4.7
91.05489	12.5
93.07008	4.7
95.08612	5.7
98.98466	2.5
103.05441	1.0
105.07035	29.2
105.34053	0.8
107.08588	6.6
113.08875	0.8
117.06998	4.5
119.08589	98.9
120.08842	0.8
121.10166	3.5
131.08546	5.0
132.09348	0.9
133.10136	81.5
134.10442	1.7
135.11697	1.0
145.10106	9.1
147.11687	12.2
160.12511	4.7
173.13255	3.6
175.14835	100.0
176.15208	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03951	0.9
53.90485	0.7
55.05269	0.9
55.05511	9.9
57.07072	2.1
58.07412	0.9
62.06089	1.3
63.06414	0.8
63.55519	0.8
66.06937	0.7
67.05522	4.2
67.74533	0.8
69.07070	24.0
71.08616	1.0
72.08965	1.1
79.05499	3.3
81.07063	9.2
83.08618	4.0
91.05488	17.5
92.70301	0.6
93.07035	4.8
95.08611	7.6
98.20743	1.8
98.98479	11.1
103.05458	1.3
105.07037	31.7
106.94349	0.7
107.08617	7.0
109.10180	0.9
115.05441	4.6
116.06245	0.9
117.07033	5.1
118.07789	1.1
119.04947	2.4
119.08590	93.2
120.08884	1.3
121.10162	2.7
128.06268	1.1
129.07005	2.1
131.08595	4.8
132.05705	2.5
132.09343	1.2
133.10136	86.3
134.10498	2.2
143.04816	0.8
145.10124	7.2
146.10915	1.6
147.04398	1.7
147.08015	1.3
147.11684	14.8
157.17789	1.8
158.10944	0.9
159.11676	1.1
160.05174	4.6
160.12477	3.5
171.22311	0.7
173.13280	3.3
175.03864	0.9
175.07545	9.5
175.11340	2.4
175.14833	100.0
175.18875	11.1
176.15199	3.3
179.84366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37284	1.3
70.10262	4.8
70.10615	2.1
106.37789	1.2
132.02121	100.0
134.03563	1.5
143.73247	1.3
176.01099	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	177.0073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01876	0.7
55.24522	0.3
56.94331	0.3
56.96567	15.4
57.03441	2.0
60.95868	0.4
61.02927	0.7
69.03433	2.7
69.07087	0.4
69.73174	1.4
70.06586	1.4
71.01322	0.4
71.95273	2.2
72.08163	0.7
72.93801	0.4
73.02928	3.4
79.05524	0.6
81.03436	1.6
81.07091	0.4
83.01356	0.4
84.04520	1.1
84.08115	0.8
84.96053	1.1
85.02906	2.4
85.04836	0.5
86.09702	0.5
87.01048	0.4
87.04507	0.5
89.03919	2.3
91.05489	1.0
93.07079	0.6
95.00769	0.6
95.01334	5.0
95.04958	0.4
97.02895	2.2
98.20692	0.3
98.97591	100.0
99.97928	0.5
101.00858	0.3
102.80930	0.3
102.96870	0.4
103.00553	0.6
103.05478	0.8
104.15877	0.3
105.02107	0.5
105.07015	0.4
106.62599	0.3
107.04936	2.7
109.02886	2.5
110.01311	0.6
110.03671	1.4
110.07188	2.2
110.97566	3.1
111.82776	0.3
112.18520	0.3
112.99162	1.0
113.00877	1.2
113.02414	1.0
116.98628	44.0
117.03384	3.7
117.99026	0.4
118.92048	0.4
118.96764	0.4
119.01884	0.7
120.08080	0.4
121.06522	0.9
121.10109	0.4
127.03933	0.5
128.02324	0.6
128.98636	2.7
129.01901	0.7
131.00201	1.0
131.01891	2.4
131.03479	0.4
131.04941	0.6
132.95872	0.5
134.03658	0.6
134.99669	10.5
135.03239	0.6
135.04391	1.2
136.93146	1.2
137.05942	0.3
140.00191	1.0
141.01833	0.9
143.00212	0.9
145.02852	3.5
146.99652	0.7
147.03238	0.7
147.04416	0.6
149.01285	0.5
149.06032	3.2
153.00694	0.6
154.03564	0.9
154.94180	1.6
155.00134	0.8
155.02798	0.4
158.99672	1.2
170.99684	0.5
172.95277	0.9
173.01268	0.6
174.03662	0.3
177.00711	2.0
177.04173	0.8
177.05344	2.2
177.06674	1.4
177.10318	0.4
194.99565	0.4
195.01765	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0395
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
55.01878	2.5
56.72848	0.6
56.96568	0.9
57.03442	12.7
67.01869	4.5
69.03434	7.2
70.71053	1.9
71.01332	0.9
73.02919	2.5
83.01335	3.6
85.02910	34.1
87.00822	1.1
89.03924	0.8
95.01335	100.0
96.01672	1.1
97.02903	7.7
98.97559	0.6
98.98489	1.0
101.00893	0.6
111.00814	8.6
112.73846	0.5
113.02364	8.9
117.03391	1.7
129.01845	11.6
131.01944	1.3
141.01834	11.6
145.02887	1.8
177.05461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03949	1.3
55.05518	0.9
58.07094	0.6
59.05008	0.7
60.55061	0.7
63.02380	1.3
65.03970	0.9
67.05514	1.4
69.07090	2.0
69.38896	1.4
69.39299	5.1
78.04725	4.3
79.05507	3.5
81.07074	1.5
85.72290	0.6
88.02195	1.2
89.03922	56.0
89.06077	1.1
90.04279	0.9
91.05487	6.1
93.07052	4.5
95.04952	0.8
95.08626	3.0
98.98471	12.4
100.47855	0.7
103.05481	2.6
105.07031	1.6
106.04175	3.5
107.08568	4.5
109.10185	0.8
112.51411	0.7
117.03385	81.6
117.06999	1.1
118.03707	1.4
119.08612	1.6
121.06544	1.8
121.07581	0.6
121.10159	6.1
131.04950	1.1
131.08586	1.4
134.03647	10.4
135.04453	6.9
135.11679	1.7
135.92645	0.9
137.09616	1.0
145.02852	100.0
146.03218	2.4
149.02328	1.7
149.05995	26.7
149.09625	0.8
149.13287	0.9
158.06023	3.1
159.11696	1.6
162.03140	2.2
163.03893	2.2
177.05466	27.8
177.06667	1.0
177.08904	1.4
177.10266	0.9
177.12692	4.9
177.16417	3.3
178.08792	0.8
186.05505	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
55.05519	0.6
63.02377	1.0
66.75097	0.5
69.22118	1.3
69.22536	3.6
72.03042	0.5
72.60579	0.5
78.04720	4.1
79.05496	1.6
81.07067	0.8
89.03924	55.1
90.04259	1.0
91.05482	3.9
93.07037	1.9
95.04998	0.6
96.17367	0.5
98.98472	4.6
103.05457	2.0
105.03388	0.8
105.06999	0.8
106.04176	4.7
107.08595	1.7
117.03387	88.2
118.03706	1.2
119.04953	0.7
121.06511	1.2
121.10137	1.7
124.05204	0.8
131.08530	0.6
134.03644	9.6
135.04445	4.3
135.08057	0.6
135.11705	0.9
145.02855	100.0
146.03188	2.2
149.02377	0.6
149.05989	24.0
158.06018	2.1
162.03177	1.2
163.03912	1.7
177.05478	24.7
177.12730	1.0
177.16437	1.2
186.05495	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	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.9
53.03946	1.1
63.02377	1.4
67.05524	1.6
69.07074	1.8
71.41068	0.9
71.52421	1.1
78.04714	3.2
79.05507	3.2
81.03414	1.0
81.07056	3.3
88.02203	1.7
89.03925	47.4
91.05487	7.2
93.07035	7.1
95.01299	1.1
95.04950	1.3
95.08598	4.8
98.98475	20.0
100.98901	0.9
103.05470	2.9
105.07051	2.4
106.04186	2.9
107.08604	5.7
109.10136	1.7
117.03388	77.4
117.07034	1.4
119.04881	1.1
119.08618	2.3
121.06475	1.7
121.10150	7.9
131.04921	2.1
131.08592	1.7
134.03639	8.8
135.04410	5.9
135.11708	2.4
145.02856	100.0
146.03221	3.1
149.02354	2.7
149.04791	1.6
149.05998	31.6
153.93695	1.6
158.06050	3.2
159.11710	2.3
162.03143	3.0
162.46457	0.9
163.03929	1.5
177.05470	26.3
177.08923	1.7
177.10313	3.4
177.12772	4.1
177.16351	5.1
178.08647	2.0
186.05482	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03947	2.4
55.01871	1.6
55.05503	2.5
63.02378	1.5
65.03936	0.8
67.05492	1.8
69.03420	0.9
69.07067	2.4
70.82431	1.2
70.82803	1.2
78.04716	4.6
78.90583	0.6
79.05496	5.6
81.03378	0.9
81.07062	3.4
83.08611	1.6
89.03921	48.7
90.04224	0.6
91.05486	15.6
93.07047	11.2
95.01336	0.7
95.04974	2.3
95.08598	4.3
98.98473	6.9
103.05473	4.4
105.03417	0.6
105.07031	5.4
106.04174	11.2
107.04970	1.2
107.08595	9.3
109.06555	1.0
109.10168	1.6
115.05435	1.0
116.06238	2.0
117.03384	82.3
117.07021	1.9
117.49433	0.6
118.03717	2.1
119.04939	1.7
119.06089	0.5
119.08571	2.4
121.02953	0.6
121.06508	7.8
121.10149	19.5
123.08071	0.6
124.05232	0.9
129.07025	1.1
131.04947	1.6
131.08572	6.3
133.10115	0.9
134.03641	12.2
135.04434	5.0
135.08069	2.1
135.11697	2.5
135.43884	0.7
144.05681	0.7
145.02850	100.0
146.03201	2.1
146.07187	0.7
147.04404	0.9
149.02348	0.7
149.05988	32.5
149.09636	12.8
150.06358	0.6
158.06120	0.8
159.04333	0.5
159.08054	1.7
159.11668	2.2
162.03102	4.3
162.06769	2.8
163.03877	2.5
177.05482	35.2
177.09102	32.0
177.10654	1.2
177.12672	5.8
177.16412	5.5
178.05939	0.6
186.05489	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03934	3.6
55.01873	2.4
55.05518	9.2
57.07059	2.5
59.02842	1.1
59.06170	1.0
60.00942	1.0
63.02365	1.3
65.03928	1.9
67.05509	5.6
69.03419	1.6
69.06734	1.7
69.07073	21.5
69.77045	2.7
69.77466	4.3
71.08617	1.1
72.70681	1.2
78.04702	3.1
79.05497	17.8
81.07066	9.2
83.08621	11.5
84.08139	1.9
89.03924	37.1
91.05486	18.0
93.07050	42.3
95.01332	2.3
95.04996	2.4
95.08609	25.6
97.10135	1.7
98.98471	23.2
103.05489	5.1
105.04499	1.7
105.07034	15.5
106.04182	7.5
107.04973	1.3
107.08603	76.1
109.02856	1.1
109.06486	1.9
109.10168	8.1
112.98381	1.0
116.98672	1.1
117.03384	55.6
117.07013	3.3
118.31741	1.1
118.96793	1.3
119.06052	1.2
119.08556	5.1
120.08083	1.7
121.02850	3.1
121.06499	5.1
121.10152	100.0
122.10445	1.6
123.08060	2.1
131.04916	4.8
131.06877	1.1
131.08565	3.8
132.08047	1.2
133.06525	1.2
133.07585	1.5
133.10159	2.3
134.03635	8.0
135.04425	5.7
135.08063	1.9
135.10722	1.7
135.11696	20.7
145.02855	69.1
146.03522	1.1
149.02359	4.8
149.06004	25.2
149.09573	2.3
149.13255	4.5
152.30983	1.2
159.04424	2.1
159.11690	2.4
160.07634	2.4
162.03181	5.4
163.03876	1.1
177.05460	33.0
177.06664	1.7
177.09099	3.6
177.10399	2.4
177.12708	4.5
177.16389	40.9
178.08716	2.2
178.13460	1.1
178.16811	1.4
190.85220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
53.47955	0.5
55.05512	11.9
57.07069	3.0
60.06680	0.6
63.18790	0.5
65.03934	1.1
67.05498	5.4
69.07072	22.3
70.09817	1.5
71.08630	1.4
71.50876	0.5
72.47026	0.5
72.53638	0.5
75.62144	0.5
77.03909	0.6
78.04708	0.7
79.05495	13.4
81.07061	9.1
83.08622	12.7
89.03920	7.8
91.05487	10.9
93.07047	36.5
95.04963	1.1
95.08609	24.5
97.10181	2.6
98.98436	1.7
102.39121	0.5
103.05511	1.1
105.07039	13.2
106.04198	0.7
107.04898	0.7
107.08598	73.5
108.08907	1.4
109.06573	0.7
109.10155	9.5
117.03391	11.1
117.04129	0.4
119.06042	1.1
119.08582	4.3
120.08135	0.6
121.10147	100.0
122.10428	1.3
123.08053	1.2
123.11741	0.6
131.08607	0.7
133.07571	0.8
133.10101	1.2
133.98808	0.6
134.03647	1.7
135.02071	0.6
135.04434	0.8
135.11693	23.7
145.02850	14.3
146.03568	0.8
149.05983	6.1
149.09637	0.8
149.13246	6.0
160.07603	1.1
163.03947	0.8
177.05470	6.4
177.09056	1.0
177.16400	39.8
178.16725	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
53.71365	0.7
55.05513	12.8
55.05767	1.5
56.01279	0.7
57.07071	3.0
67.05508	4.8
69.07072	22.3
69.69917	4.7
77.03898	1.3
79.05494	11.9
81.07059	9.5
82.59467	0.7
83.08625	12.2
89.03922	11.5
91.05479	10.2
93.07046	40.6
95.04934	1.0
95.08608	21.5
97.10191	2.1
98.21479	1.6
98.98481	3.2
103.05486	2.3
105.07033	11.0
106.04193	1.5
107.08598	76.5
108.08863	1.5
109.10155	10.3
117.02631	1.4
117.03394	18.2
119.06112	1.4
119.08590	3.7
121.10147	100.0
122.10470	1.4
123.08060	1.1
132.08073	1.3
133.10185	1.1
134.03627	3.4
135.04395	1.2
135.10716	1.2
135.11699	22.7
145.02855	19.1
148.12492	0.8
149.05957	6.4
149.13264	6.5
160.07567	1.0
177.05486	7.4
177.09142	1.5
177.16400	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	1.3
53.71365	0.7
55.05513	12.8
55.05767	1.5
56.01279	0.7
57.07071	3.0
67.05508	4.8
69.07072	22.3
69.69917	4.7
77.03898	1.3
79.05494	11.9
81.07059	9.5
82.59467	0.7
83.08625	12.2
89.03922	11.5
91.05479	10.2
93.07046	40.6
95.04934	1.0
95.08608	21.5
97.10191	2.1
98.21479	1.6
98.98481	3.2
103.05486	2.3
105.07033	11.0
106.04193	1.5
107.08598	76.5
108.08863	1.5
109.10155	10.3
117.02631	1.4
117.03394	18.2
119.06112	1.4
119.08590	3.7
121.10147	100.0
122.10470	1.4
123.08060	1.1
132.08073	1.3
133.10185	1.1
134.03627	3.4
135.04395	1.2
135.10716	1.2
135.11699	22.7
145.02855	19.1
148.12492	0.8
149.05957	6.4
149.13264	6.5
160.07567	1.0
177.05486	7.4
177.09142	1.5
177.16400	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
52.04617	1.0
53.03948	1.8
53.51862	1.0
54.41767	1.1
55.01873	1.8
55.05522	8.1
55.68352	1.0
57.07077	2.1
57.40003	1.1
59.32513	1.0
65.03923	1.2
66.86362	0.9
67.05515	7.1
68.24882	1.0
69.07071	49.9
70.22664	3.0
78.04709	2.3
79.05499	11.1
81.07050	11.1
83.08630	13.7
89.03918	25.8
91.05484	13.0
93.07047	31.0
95.08611	49.2
97.10128	1.6
98.98454	6.1
103.05463	2.6
105.07028	6.2
106.04221	6.2
107.08598	64.4
109.10162	20.6
117.03383	37.4
117.07040	1.2
119.08559	2.5
121.06500	3.1
121.10151	100.0
131.04948	2.6
131.08539	1.7
133.06540	1.5
133.10081	1.2
134.03674	6.5
135.04437	2.6
135.11702	19.2
145.02855	48.3
145.06435	1.7
149.06001	15.9
149.13277	6.3
159.04372	1.1
159.11679	1.4
162.03168	3.0
177.05473	21.1
177.06908	1.8
177.09103	3.2
177.16399	77.1
178.16869	1.3
186.05595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03944	4.4
55.01871	1.4
55.05516	13.4
57.07076	2.3
65.03930	1.6
67.05508	45.4
67.56745	0.6
69.07069	10.0
70.97179	1.5
71.08645	1.1
77.03909	1.2
78.04701	1.1
79.05499	63.0
81.03415	1.2
81.07063	36.8
83.04964	1.3
83.08620	9.2
88.24358	0.8
89.03920	9.4
89.13232	0.7
91.05485	18.3
92.76496	0.7
93.07050	85.0
94.07384	1.4
95.04961	5.3
95.08610	45.7
96.08938	0.8
97.06520	1.9
97.10149	3.3
98.98473	13.0
103.05489	2.1
105.04517	1.4
105.07049	7.0
106.04156	1.2
107.04955	2.3
107.08601	41.0
109.06504	1.9
109.10162	18.9
117.02547	0.9
117.03385	13.2
117.07039	5.6
119.06047	0.8
119.08595	2.8
121.02864	1.1
121.06509	3.0
121.10149	100.0
129.06935	0.8
131.04936	2.9
131.08566	7.7
133.10130	6.2
134.03635	2.4
135.04427	0.6
135.08081	1.2
135.11697	35.2
140.88313	0.6
145.02838	14.7
145.03870	1.1
149.02394	1.7
149.05991	7.7
149.09677	1.2
149.13234	4.5
159.08034	0.8
159.11702	9.8
162.03119	1.8
177.05460	9.0
177.06668	0.9
177.09070	2.1
177.10330	1.9
177.12773	21.5
177.16397	46.8
178.16766	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01870	2.0
55.05517	12.1
57.07073	2.8
65.03943	2.1
67.05512	49.3
69.07076	11.9
70.96142	1.9
71.08639	1.5
77.03934	1.4
78.04709	1.3
79.05500	66.1
81.03428	1.6
81.06591	2.1
81.07064	42.8
83.05006	1.1
83.08617	9.0
88.02197	1.9
89.03931	13.8
91.04916	1.1
91.05490	23.2
93.07051	84.0
95.01314	1.1
95.04990	6.2
95.08616	52.0
97.06522	1.7
97.10168	4.1
98.98478	31.8
99.08112	1.2
100.98891	1.6
103.05465	3.5
105.04552	1.8
105.07065	8.4
106.04188	1.4
107.04951	2.1
107.08605	45.5
109.06549	2.6
109.10166	19.2
117.02636	1.7
117.03396	23.7
117.07025	4.2
119.08571	4.6
121.02857	1.3
121.06512	3.1
121.10157	100.0
122.10476	2.0
129.07095	1.7
131.04933	2.3
131.08568	7.0
132.08095	1.5
133.10150	6.8
134.03650	3.4
135.04411	1.8
135.08063	3.3
135.11700	39.6
145.02863	27.6
149.02353	3.5
149.05989	12.8
149.07089	1.7
149.09645	2.2
149.10760	2.1
149.13289	6.2
153.93782	1.1
159.08102	1.4
159.11684	8.8
162.03133	2.8
177.05457	14.6
177.06720	1.4
177.09070	3.1
177.10278	4.3
177.12741	19.1
177.14072	1.8
177.16409	45.8
178.05011	1.3
178.08594	2.5
186.05588	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03947	1.6
55.05309	1.3
55.05519	14.8
57.07072	1.7
65.03915	1.4
67.05511	13.7
69.07073	42.8
71.29542	2.5
78.04726	1.3
79.05134	1.2
79.05499	31.3
81.07063	100.0
81.94781	1.3
83.08626	17.2
88.02179	2.1
89.03925	5.8
91.05488	14.0
93.07053	54.2
93.07642	2.9
94.71071	1.4
95.04985	1.5
95.08614	66.0
97.10174	7.3
98.98466	11.8
105.07028	7.8
107.08602	92.3
108.08927	1.4
109.06510	2.2
109.10159	19.1
116.40598	1.5
117.03384	7.8
117.07066	1.4
117.67205	1.4
119.08585	5.5
121.06520	1.4
121.10153	93.1
122.10453	1.6
131.08540	1.4
133.10153	1.8
135.11707	17.9
136.08684	2.0
145.02878	11.0
149.05980	3.9
149.09625	1.8
149.13235	7.5
159.11700	1.7
177.05449	4.5
177.09045	2.9
177.12836	4.8
177.16405	84.1
178.16760	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	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03934	4.2
55.01866	1.5
55.05515	14.9
57.07070	2.8
65.03927	2.0
67.05507	49.3
69.07069	13.3
69.37372	6.2
69.37771	2.3
73.22313	1.0
77.03907	1.1
79.05495	73.5
81.03427	1.1
81.07060	43.3
82.71587	1.0
83.08629	8.6
86.45170	0.9
88.17849	1.1
89.03922	3.7
91.05476	19.5
92.05761	1.1
93.07050	94.4
94.07330	1.0
95.04961	3.9
95.08614	50.3
97.06576	1.9
97.10165	3.8
98.04486	0.9
98.44476	0.9
98.98479	6.6
99.08157	1.2
103.05491	1.3
105.04518	1.5
105.07027	6.1
107.04939	1.7
107.08606	41.7
109.06530	1.4
109.10160	20.5
117.03387	6.9
117.07041	4.2
119.08549	2.4
121.06492	1.6
121.10149	100.0
122.10438	2.2
123.11671	1.3
131.08574	5.4
133.10150	4.9
133.83513	0.9
134.03600	1.6
135.11697	40.1
136.12006	1.8
145.02869	6.4
149.02382	1.2
149.05946	3.6
149.13286	6.0
159.11679	9.1
177.05487	3.4
177.10345	1.8
177.12776	18.0
177.16397	46.7
178.16734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03935	3.3
55.05507	7.5
57.07062	1.1
63.02354	1.5
65.03914	1.3
67.05505	5.8
69.07069	19.0
69.55202	6.4
77.03921	1.0
78.04707	7.4
79.05494	13.7
81.07057	12.2
83.08614	8.1
89.03915	45.3
90.04229	0.8
91.05476	17.8
93.07044	27.1
93.07630	1.4
95.04962	4.1
95.08606	29.8
97.10155	1.7
98.98475	8.5
103.05463	5.4
105.04504	1.3
105.07030	8.0
106.04175	24.6
107.04935	2.8
107.08591	46.1
109.10158	7.5
111.30813	1.0
117.03376	77.8
117.07010	2.4
118.03713	1.7
119.04958	1.3
119.08566	2.4
121.06516	9.8
121.10141	63.0
123.11701	0.9
124.05244	0.8
131.04912	5.1
131.08560	3.1
133.06508	0.9
133.10143	1.6
134.03627	14.1
135.04427	4.6
135.11707	11.5
145.02843	100.0
146.03239	1.7
147.04425	1.2
149.02364	1.6
149.04782	2.0
149.05980	40.4
149.13268	4.1
159.08057	1.0
159.11702	2.2
162.03139	6.9
163.03944	2.4
168.47824	1.0
169.03044	1.0
177.03903	1.1
177.05472	38.8
177.09026	6.3
177.12836	6.0
177.16394	40.5
178.05922	0.9
178.16638	0.9
183.80667	0.9
186.05540	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
51.02378	0.9
53.03935	3.3
55.05507	7.5
57.07062	1.1
63.02354	1.5
65.03914	1.3
67.05505	5.8
69.07069	19.0
69.55202	6.4
77.03921	1.0
78.04707	7.4
79.05494	13.7
81.07057	12.2
83.08614	8.1
89.03915	45.3
90.04229	0.8
91.05476	17.8
93.07044	27.1
93.07630	1.4
95.04962	4.1
95.08606	29.8
97.10155	1.7
98.98475	8.5
103.05463	5.4
105.04504	1.3
105.07030	8.0
106.04175	24.6
107.04935	2.8
107.08591	46.1
109.10158	7.5
111.30813	1.0
117.03376	77.8
117.07010	2.4
118.03713	1.7
119.04958	1.3
119.08566	2.4
121.06516	9.8
121.10141	63.0
123.11701	0.9
124.05244	0.8
131.04912	5.1
131.08560	3.1
133.06508	0.9
133.10143	1.6
134.03627	14.1
135.04427	4.6
135.11707	11.5
145.02843	100.0
146.03239	1.7
147.04425	1.2
149.02364	1.6
149.04782	2.0
149.05980	40.4
149.13268	4.1
159.08057	1.0
159.11702	2.2
162.03139	6.9
163.03944	2.4
168.47824	1.0
169.03044	1.0
177.03903	1.1
177.05472	38.8
177.09026	6.3
177.12836	6.0
177.16394	40.5
178.05922	0.9
178.16638	0.9
183.80667	0.9
186.05540	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	2-Oxo-4-phenylbutyric acid
Peak:m/z	Relative Intensity
53.03971	0.5
55.01870	1.9
65.03938	0.6
67.05515	1.0
68.99809	1.2
74.08743	0.4
79.05495	1.1
79.95744	0.4
81.07050	2.0
85.06562	0.5
88.85116	0.5
91.05486	100.0
92.05816	1.5
93.07079	1.2
94.51671	0.5
95.04939	0.8
95.08618	2.5
98.20766	1.6
103.05466	0.6
105.03409	3.3
105.07040	6.2
109.06505	0.7
109.10163	0.6
115.05464	7.5
117.07043	1.0
119.04962	12.4
119.08614	1.4
123.04425	0.8
133.02890	0.7
133.06502	5.5
133.10153	1.5
135.04544	0.5
136.05208	1.1
137.05994	0.7
143.04916	0.7
146.54166	0.5
147.04422	28.2
150.06721	0.5
151.07558	1.6
161.05989	26.6
161.13264	1.4
162.06384	0.7
179.03398	2.5
179.07050	4.4
179.08638	1.7
179.10580	0.6
179.14357	1.8
183.06749	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
52.03183	0.4
53.03934	0.7
55.01880	1.1
56.96569	2.2
59.24310	0.5
60.04525	0.9
65.03939	3.6
67.05502	1.4
68.99806	0.5
69.03436	1.1
70.06586	2.5
70.62709	1.1
70.63062	0.8
72.08163	0.5
73.02896	0.5
74.06066	0.4
76.02225	1.1
79.05495	1.9
81.03412	0.7
81.07063	1.9
82.49050	0.4
84.08149	3.3
85.02892	0.6
86.09734	1.1
89.03954	0.5
91.05486	49.8
92.05835	0.8
92.07885	1.0
94.04202	0.4
95.04993	2.8
95.08623	0.9
97.02893	0.6
98.97594	1.9
103.05506	0.7
105.03441	0.5
105.04577	0.5
105.07017	2.0
106.02912	0.6
107.04947	0.5
108.04555	0.4
109.02927	0.6
110.07174	1.3
110.97561	0.5
118.04148	1.1
119.04948	91.3
120.05262	0.9
121.06619	0.6
122.03676	0.7
123.04439	1.7
127.03873	0.6
132.08047	0.6
133.02856	1.4
133.06517	1.6
133.10152	0.7
134.06052	0.7
136.05212	1.7
137.05988	10.6
146.03638	0.9
147.04416	100.0
148.04802	1.9
150.06706	1.0
151.07561	4.1
151.08597	0.8
152.07071	1.2
158.99615	1.0
161.05934	2.5
164.04752	3.4
165.05540	0.6
179.03421	5.4
179.07034	24.1
179.11842	1.2
180.08839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0704
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.88851	0.3
55.01866	0.6
57.42559	0.3
60.36418	0.2
65.03941	1.7
70.06568	0.3
70.88718	0.4
70.89053	0.4
74.85945	0.2
76.68813	0.2
79.05494	0.8
84.08181	0.4
86.93291	0.2
88.34911	0.3
91.05486	39.3
92.05806	0.7
93.87253	0.3
95.04992	0.5
103.05464	1.8
105.07039	3.1
115.05477	0.8
118.04172	2.2
119.04949	43.5
120.05263	0.7
123.04410	0.8
133.02853	0.7
133.05493	0.4
133.06494	9.2
133.10112	0.3
135.04492	0.3
141.08789	0.3
147.04419	100.0
148.04799	1.5
151.03964	0.5
151.07561	0.7
161.06000	3.9
164.04675	0.5
172.59814	0.3
179.03459	2.8
179.07037	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	179.0704
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
55.01878	29.7
65.03940	3.5
69.90415	1.0
70.06285	4.0
74.53748	1.1
74.79878	1.1
79.05499	3.2
81.07061	1.1
91.05489	41.8
92.50679	1.2
94.45421	1.1
95.04961	3.2
103.05483	4.6
105.07041	16.1
107.04957	3.4
108.05724	1.1
115.05482	3.6
118.04167	5.1
119.04957	58.5
120.05262	1.2
123.04437	3.9
131.04961	1.4
133.06503	22.3
135.04381	1.9
136.05220	7.2
137.05962	3.3
146.03645	15.0
147.04420	100.0
151.03958	1.3
151.07562	2.6
161.05991	44.2
164.04697	2.5
179.03467	3.2
179.07047	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	179.0703
Annotation	CHEBI:67424
Peak:m/z	Relative Intensity
53.03960	0.8
53.09716	0.6
55.01878	7.2
55.05500	1.2
57.07071	0.9
65.03939	2.0
67.05514	5.8
69.03426	0.7
69.07062	1.9
79.05498	2.5
81.07067	9.1
91.05488	100.0
91.44769	0.8
92.05814	1.5
93.07059	1.5
95.04979	1.4
95.08614	9.2
103.05457	1.6
105.03419	1.3
105.07044	8.8
107.04980	1.4
107.08627	0.9
108.05803	1.0
109.10160	9.1
115.05479	3.0
118.04174	1.5
119.04955	34.4
119.08575	1.6
120.05298	0.9
121.10163	1.2
123.04427	1.5
123.08074	0.9
123.11732	4.6
133.06494	7.3
133.10164	1.3
135.04413	1.2
136.05215	4.7
137.05980	2.4
137.13347	0.7
146.03645	2.9
147.04424	53.2
148.04776	1.0
149.02333	1.6
150.29492	0.7
151.03952	1.3
151.07541	3.2
161.05997	17.6
161.07271	1.0
161.13255	1.8
164.04709	2.8
166.72688	0.5
167.45473	0.6
173.09554	0.6
179.03479	4.3
179.07066	14.9
179.08549	1.1
179.10641	1.4
179.14319	2.0
180.10356	0.7
182.10600	0.7
196.73979	0.7
196.75764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	Methylisoeugenol
Peak:m/z	Relative Intensity
51.85898	0.5
53.03979	1.7
55.01874	7.6
55.05540	1.7
55.84458	0.5
57.03458	1.2
57.07101	0.8
58.99614	0.7
65.03939	3.0
67.05515	4.1
69.03445	1.5
69.07095	2.4
69.80021	2.5
69.80454	1.0
70.06619	2.2
71.05012	1.2
72.49467	0.6
76.02259	1.0
77.03931	0.7
78.04726	0.6
79.02378	0.5
79.05502	7.2
80.05031	0.7
80.06293	1.5
81.03429	1.0
81.07067	7.6
83.05020	2.0
84.08169	1.2
85.01167	1.8
85.06580	0.6
86.00652	0.7
89.03947	1.5
90.04720	0.6
91.05489	41.1
92.05864	1.0
93.07056	6.2
94.06596	1.0
95.01355	0.6
95.04978	9.2
95.08620	5.3
97.06544	0.7
98.98523	0.7
103.05485	2.8
104.06292	1.8
105.03431	1.8
105.04593	0.8
105.07035	16.6
106.04214	0.7
107.04973	9.1
107.08578	3.7
108.05737	4.5
109.02901	0.7
109.06524	4.4
109.10184	2.1
115.05463	3.9
116.06289	0.9
117.07034	4.7
118.04155	1.1
119.04955	31.9
119.08590	7.7
121.06518	13.6
121.10142	3.0
123.04458	8.7
123.08073	3.9
123.11703	0.8
124.05223	2.3
125.17592	0.7
128.06221	0.6
131.04927	3.3
132.05711	5.0
133.02864	4.2
133.06502	10.0
133.10152	6.6
135.04417	4.6
135.08099	2.6
135.11726	1.3
136.04150	1.3
136.05206	22.7
136.08833	0.7
137.06017	5.0
137.09695	2.7
137.10696	0.6
138.06769	14.2
139.07584	3.8
143.08611	1.0
146.03621	2.5
147.04425	44.5
147.08063	13.8
148.04803	1.3
148.07664	0.6
148.08810	9.7
149.02441	0.7
149.05998	7.1
149.07111	1.0
149.09555	1.2
151.04015	3.3
151.07555	100.0
151.11177	1.6
152.07967	1.3
161.02321	1.3
161.05988	10.2
161.09650	3.3
161.13315	4.3
162.09131	0.7
163.07602	1.0
164.04631	2.2
164.08351	21.1
179.03429	17.6
179.07150	14.7
179.10670	45.5
179.14133	4.5
180.06532	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.85837	2.1
52.56272	2.2
53.03955	5.0
54.01998	1.8
54.43656	1.9
55.01872	14.3
55.05267	2.8
55.05517	22.1
57.03423	4.1
57.07070	9.4
65.03938	5.5
67.05508	100.0
69.03421	9.6
69.07072	13.3
71.04982	7.7
72.90723	2.1
79.05499	24.6
81.03414	7.0
81.07063	71.0
83.04999	5.1
83.08628	2.7
91.05493	39.3
93.07051	29.5
94.06548	4.7
95.04971	21.6
95.08612	98.5
97.06506	3.7
100.32252	2.8
105.03407	4.7
105.07043	29.2
107.04981	4.1
107.08595	17.2
108.04480	4.4
109.06535	11.4
109.10162	50.7
110.60091	1.9
117.07009	2.5
117.82500	2.0
119.04950	28.3
119.08569	24.5
121.06485	4.1
121.10158	8.0
123.04433	10.0
123.08076	19.2
123.11710	3.2
133.02863	12.3
133.06499	10.8
133.10149	15.6
135.04482	3.2
135.11682	9.3
136.02240	2.6
137.05991	6.3
137.08241	1.8
137.08607	2.7
137.09615	23.2
146.03659	2.7
147.04414	61.4
147.05542	3.8
151.03909	3.6
151.14821	10.1
155.93391	2.7
161.06021	14.2
161.09633	4.7
161.13277	12.2
164.04070	5.8
169.30995	2.5
179.03401	41.4
179.06560	25.9
179.08603	4.9
179.10675	8.8
179.11952	4.9
179.14297	55.9
180.06592	6.6
197.89415	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	179.1433
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03951	7.5
55.01876	9.4
55.05516	30.3
57.03431	4.6
57.07080	2.0
59.94126	1.1
60.24318	1.2
65.03928	4.2
67.05510	100.0
69.03436	1.9
69.07071	15.7
69.53438	1.1
71.04999	1.2
71.51134	1.3
79.05501	69.7
81.03426	23.1
81.07065	96.7
83.04991	34.1
83.08632	14.4
85.06538	2.5
91.05487	62.6
93.07052	45.6
95.04982	11.4
95.08614	76.8
97.06540	33.1
97.10181	3.4
99.08096	1.6
105.04554	2.5
105.07042	30.2
107.08614	11.7
109.06523	7.0
109.10168	12.2
111.08083	9.0
113.09630	7.7
117.07012	2.7
119.04968	9.4
119.08592	34.3
121.10138	5.3
123.04430	4.8
123.08065	5.0
123.11732	1.9
133.02841	3.9
133.06482	2.9
133.10139	22.3
135.04431	1.3
135.11699	5.8
136.02144	1.5
137.05997	1.9
137.09657	2.1
147.04410	16.9
148.28444	1.1
151.03839	1.5
155.42456	1.3
159.11612	1.1
161.05983	3.4
161.13268	16.9
164.04091	1.2
179.03427	16.1
179.06552	8.1
179.08348	2.8
179.10637	3.1
179.11836	2.9
179.14320	51.2
180.06615	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	180.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01864	0.8
55.05506	0.6
56.96552	0.7
57.03423	0.2
57.17558	0.2
60.90762	0.2
61.01153	0.4
65.03938	0.5
65.71400	0.2
67.05495	1.0
68.05826	0.3
69.03430	1.1
69.07045	0.5
70.06596	0.6
71.04973	0.3
71.50494	0.2
72.08142	0.6
79.05495	1.6
80.05006	0.7
81.03421	0.5
81.07028	0.4
82.06577	0.5
83.04977	0.3
84.04549	0.2
84.08143	1.4
85.02903	1.5
86.09724	0.3
86.37003	0.2
88.03970	0.3
89.03876	0.2
91.05483	3.5
92.05807	1.9
93.07043	2.8
94.06562	0.4
95.04984	1.2
95.08586	0.2
96.08154	0.3
97.02876	0.4
97.06559	0.4
98.97591	3.3
103.05472	8.2
103.06155	0.5
104.05790	0.3
105.03352	0.4
105.04549	0.2
105.85760	0.2
106.06569	0.9
106.07343	0.5
107.04932	0.6
107.08604	0.4
108.04486	1.3
108.08150	0.2
109.02890	0.5
109.06545	0.5
110.06090	0.4
111.04449	0.5
112.07627	0.6
116.98631	1.9
119.04945	0.9
120.05299	2.6
120.08112	100.0
121.02854	0.2
121.06510	5.6
121.08438	1.9
121.10153	0.6
122.06062	1.1
122.06843	0.4
123.04437	0.2
124.03958	0.3
124.07618	0.5
125.05971	0.5
127.54831	0.2
128.50885	0.2
129.10228	0.4
131.04945	1.3
133.06483	0.2
134.03238	0.2
134.06006	1.2
134.06888	0.8
134.09604	0.3
134.99667	1.0
135.04420	1.5
135.05286	0.2
135.08044	0.8
136.07585	0.8
137.06003	1.9
137.09680	0.3
138.05470	0.4
138.09108	0.6
139.03868	0.5
139.04881	0.3
147.04399	0.5
148.04753	5.9
149.06015	0.4
151.07451	0.2
152.04260	1.1
152.07059	1.6
152.08095	0.3
153.05537	0.2
162.05392	1.3
162.09096	1.4
163.03976	1.1
163.07605	0.7
163.11188	0.4
165.09108	0.3
166.06311	0.4
180.03767	3.8
180.06618	2.4
180.10109	3.8
180.13864	1.0
181.04984	2.0
181.08580	0.7
181.12166	0.5
189.55785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.65939	0.3
53.03947	0.9
54.43438	0.3
55.01882	0.3
55.05517	0.3
56.96568	0.7
60.42654	0.3
60.71712	0.3
63.02391	0.5
65.03940	0.9
67.05506	1.9
69.07064	0.4
69.58361	0.9
69.58784	1.0
79.05493	3.8
81.03439	0.3
81.07056	0.4
81.18221	0.3
83.04990	0.6
84.08147	0.5
85.02901	0.7
89.03924	17.1
91.05483	2.6
92.83442	0.2
93.03392	0.6
93.07059	1.2
93.81213	0.3
95.04977	2.7
95.08631	0.4
97.02848	0.4
97.06498	0.5
98.97591	5.7
103.05472	0.5
105.04514	0.4
107.04960	7.0
107.08617	0.6
109.06516	0.3
111.04456	1.0
116.98635	3.4
117.03385	22.1
118.03741	0.5
119.04964	0.9
121.05535	0.2
121.06517	1.2
121.10135	0.5
122.03632	0.7
123.04430	0.4
125.05994	1.0
134.99677	1.1
135.04424	37.2
135.09106	0.4
136.04790	0.5
137.05986	4.8
139.03929	0.6
145.02853	25.5
146.03197	0.4
149.05954	0.3
153.05582	0.4
163.03911	100.0
163.11168	0.8
164.04265	1.7
175.35468	0.2
181.04942	3.0
181.06355	0.4
181.08641	0.8
181.12154	0.3
182.08134	0.5
192.49107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.01862	1.2
55.05508	4.3
57.07080	21.1
59.04989	2.7
67.05501	1.8
69.03428	1.2
69.07066	4.1
71.51379	1.4
74.84357	0.7
79.05495	9.8
79.19009	0.7
81.03426	5.4
81.07072	3.8
83.04982	52.7
85.06534	1.0
91.05481	3.5
93.07043	8.2
95.04976	17.2
95.08624	1.2
97.05925	1.5
97.06538	27.8
98.06888	0.9
98.97591	7.4
99.05633	1.0
101.02932	0.9
105.07025	6.8
107.04944	2.5
107.08604	12.1
108.08150	0.8
108.08944	0.9
108.61108	0.8
112.24046	0.8
116.98620	3.5
117.07032	2.3
119.08564	3.6
121.06503	3.0
121.10146	15.5
125.05998	63.5
130.07790	2.3
135.08070	1.3
135.11696	6.8
136.07617	1.4
145.10129	11.6
146.76241	0.9
148.08890	0.9
154.08644	2.2
163.03931	1.0
163.11185	100.0
164.11569	2.4
165.07040	0.9
166.07733	1.8
181.06352	1.2
181.10100	2.4
181.12247	28.1
182.08118	2.1
182.12515	1.1
193.10767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03934	1.1
55.01855	1.1
55.05512	2.4
56.96554	1.6
57.03423	1.0
57.07088	2.3
57.07324	0.5
59.04999	3.7
65.03928	1.2
67.05508	3.4
69.03410	1.9
69.06779	0.4
69.07076	4.4
71.02586	1.0
71.05006	0.6
73.06558	0.5
79.05071	0.7
79.05498	8.5
81.03432	0.6
81.06601	0.5
81.07062	7.3
83.04964	1.3
83.05412	0.5
87.04475	0.6
91.05489	6.0
93.07050	19.4
93.07642	1.0
95.04964	1.2
95.08611	16.5
97.02898	0.4
97.06541	2.5
98.97589	20.9
103.05447	1.4
105.07048	4.4
107.04958	1.5
107.08602	35.4
108.08931	0.7
109.06525	1.5
109.10159	3.0
111.04469	2.2
111.08094	2.0
116.98624	9.4
117.06989	1.2
119.07925	0.5
119.08605	5.4
121.05693	0.5
121.06520	6.7
121.10153	19.4
123.08045	3.8
125.05994	4.8
130.07800	0.7
134.99657	2.0
135.04466	0.8
135.08017	1.5
135.11702	43.6
136.12030	1.2
137.06036	0.5
137.09592	0.7
137.13246	1.5
139.07550	7.9
139.11183	0.5
140.00200	0.8
145.10120	11.7
149.02425	0.6
149.05968	1.5
152.06221	1.0
153.05693	0.4
153.06998	2.6
153.09158	0.6
153.12779	2.3
163.03940	0.7
163.11191	31.5
164.07115	0.5
164.11543	0.7
166.07736	1.2
181.04984	1.9
181.06502	3.5
181.12242	100.0
182.08156	0.9
182.12514	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03947	2.7
55.01874	1.6
55.05512	37.8
55.65867	0.6
56.96560	0.9
57.03426	1.6
57.07071	11.8
58.67739	0.7
59.40195	0.9
65.03938	2.0
67.05505	13.1
69.03432	3.5
69.07066	4.2
70.67837	1.0
70.68153	1.1
71.01358	0.9
71.05008	1.4
77.03944	1.0
79.05495	8.4
81.07059	11.7
83.04981	14.5
85.06533	3.9
91.05484	11.4
93.07043	27.2
93.07641	1.3
95.04974	5.3
95.08609	18.9
97.06541	12.7
98.21305	1.3
98.97589	10.6
103.05460	1.4
105.04551	0.8
105.07032	9.8
107.04956	2.7
107.08595	33.9
109.06519	7.4
109.10170	2.9
111.04444	100.0
111.08078	8.8
112.04768	1.0
113.06030	4.4
115.05524	0.8
116.98613	4.7
117.07041	3.3
119.08585	4.1
120.09360	0.9
121.06506	7.1
121.10156	4.6
122.07287	2.8
123.04419	1.1
123.08076	1.8
125.05995	49.7
127.07568	2.7
129.06979	0.8
130.07768	4.0
134.99725	0.9
135.08057	24.7
135.11690	25.4
136.12016	1.1
137.13208	0.8
138.05699	0.9
138.06750	3.1
139.07564	2.8
145.10121	21.9
149.06059	1.2
152.06203	2.1
153.07008	5.0
153.12723	5.6
163.08856	0.9
163.11185	20.5
181.05014	1.5
181.06435	6.6
181.12247	41.5
194.52423	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.03936	2.8
55.01847	1.5
55.05514	5.4
56.96563	3.9
57.07067	2.7
67.05508	8.4
69.03429	2.3
69.07081	4.9
70.68687	2.3
71.04994	2.4
78.01594	1.1
79.05510	6.5
81.03395	1.0
81.07076	5.1
83.04986	4.1
87.96561	1.0
91.05479	8.6
93.07053	27.0
94.83848	1.1
95.04985	3.6
95.08614	14.2
96.05501	0.9
97.06533	12.0
98.97592	41.2
105.07027	3.7
106.52056	1.1
107.04956	1.8
107.08599	19.0
109.06469	2.1
109.10156	2.1
111.04441	2.8
111.08092	9.2
116.98635	17.0
117.07045	1.0
119.08567	3.7
120.99357	1.0
121.06494	5.9
121.10150	2.8
123.04457	1.1
123.08051	2.0
125.06000	68.4
125.09622	2.0
130.07806	1.6
134.99655	4.7
135.08057	3.6
135.11702	20.8
138.06784	9.0
139.07597	1.3
140.00194	2.0
145.10159	10.2
153.12737	5.9
163.11194	14.7
181.05026	1.2
181.12248	100.0
182.12575	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.51286	0.7
53.03970	0.8
55.01905	1.3
55.05546	3.3
55.36116	0.7
56.96582	0.9
57.07080	20.4
59.05046	2.4
59.53505	0.7
67.05523	1.8
67.42472	0.9
68.85770	1.0
69.03458	1.5
69.07072	4.3
69.43879	0.8
69.45329	4.1
69.45742	1.4
71.05030	0.8
79.05512	9.0
79.05906	0.8
81.03431	5.9
81.07043	4.3
82.06621	0.8
83.04991	48.3
85.06604	1.2
91.05481	3.8
93.07046	8.9
94.06625	0.7
95.04985	16.0
95.08649	1.4
97.06540	25.9
98.97594	16.1
98.98201	1.0
105.07037	5.4
107.04974	3.5
107.08605	12.5
107.96902	0.8
116.97298	0.9
116.98627	10.2
117.07076	2.7
119.04942	0.7
119.08587	3.8
121.06542	3.8
121.10166	12.7
123.08116	1.0
125.06004	64.6
130.07805	1.4
133.10085	0.8
134.99675	2.6
135.08115	1.7
135.11697	5.7
136.07590	0.8
138.89455	0.8
145.10146	11.2
154.08638	1.7
162.99841	0.8
163.11197	100.0
164.11578	2.1
165.07022	1.6
166.07748	1.6
181.04861	1.2
181.08633	0.9
181.10083	3.2
181.12231	29.2
182.08130	1.1
185.11816	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	2.5
55.05512	33.5
56.96569	6.1
57.07079	14.2
57.93572	1.4
59.04979	1.4
65.03937	1.8
67.05506	8.9
69.03432	2.6
69.07059	4.7
69.07420	0.9
69.85957	5.9
70.12718	1.1
71.04977	1.7
79.05495	8.1
81.07053	10.5
83.04984	16.4
83.08617	1.3
85.06541	5.3
85.26489	1.3
91.05479	10.7
93.07047	25.5
95.04974	4.4
95.08611	16.4
96.29338	1.2
97.06535	11.0
98.97586	64.2
104.20633	1.1
105.07018	7.7
107.04971	1.6
107.08598	30.1
109.06519	7.8
109.10130	2.3
111.04446	100.0
111.08076	6.5
111.79098	1.0
113.06016	3.3
116.97307	1.2
116.98619	29.8
117.07018	2.9
119.08590	3.1
121.06506	6.6
121.10126	6.2
122.07289	2.2
123.08087	2.1
125.05067	2.1
125.05996	41.9
127.07578	3.6
130.07784	3.4
134.99710	7.1
135.08057	24.4
135.09019	2.1
135.11688	20.9
139.07578	2.2
140.00220	3.1
145.09071	1.6
145.10144	17.2
153.12761	3.6
158.01218	1.1
163.11177	17.3
164.54796	1.1
166.99895	1.1
181.04968	2.3
181.06425	1.4
181.09904	1.9
181.10461	1.7
181.12234	30.0
182.08206	1.2
183.33299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03928	1.7
53.49018	1.0
53.97057	0.9
55.01877	1.4
55.05492	3.0
57.07076	21.8
59.04989	2.8
67.05485	2.2
69.03427	2.0
69.07062	3.6
69.31345	3.2
69.31763	4.5
70.01700	0.9
71.05010	1.1
77.02695	0.8
79.05503	9.2
81.03423	7.0
81.07059	5.0
83.04984	46.2
85.06585	0.9
88.20558	1.0
91.05496	4.9
93.07050	9.3
95.04980	15.3
95.08599	1.2
97.06534	26.7
98.20814	2.1
98.97594	15.6
99.05592	1.1
105.07034	5.6
105.63567	1.0
107.04940	2.7
107.08598	10.5
116.98624	9.7
117.06979	2.5
119.08557	3.0
121.06504	3.5
121.10143	14.1
125.05999	61.9
126.06277	1.2
130.07777	1.8
133.10080	1.1
134.99641	4.7
135.04398	0.9
135.08029	1.1
135.11668	6.6
137.09525	1.5
139.09808	0.9
140.00179	1.1
145.10146	12.0
154.08640	0.9
161.55138	0.8
163.04001	1.4
163.11191	100.0
164.11586	1.4
165.07002	3.2
166.07819	7.3
167.08482	1.4
181.06627	1.0
181.10136	8.7
181.12230	30.4
182.08121	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.05508	4.1
57.07084	21.0
59.04980	2.3
61.50610	1.9
67.05502	3.4
69.07053	5.3
70.06619	2.0
71.25072	3.6
77.83127	1.5
79.05499	12.9
81.03407	6.4
81.07050	6.2
83.04988	44.2
91.05461	5.7
93.07059	10.5
95.04966	16.9
95.08605	3.8
97.06535	28.2
98.20837	2.0
98.97611	13.5
99.05571	5.7
99.08132	1.6
105.07018	4.9
107.08603	14.7
116.98612	10.3
117.06976	2.0
119.08588	4.2
121.06533	3.8
121.07718	1.8
121.10144	15.9
123.08054	1.7
125.06002	70.3
134.99669	4.6
135.04448	1.9
135.08049	2.8
135.11693	8.1
136.07591	3.3
136.45859	1.6
138.10277	2.3
140.00180	1.9
145.10097	11.0
154.08391	2.3
158.01268	2.5
163.03934	3.5
163.11192	100.0
164.11571	2.2
166.07747	3.7
181.04898	4.5
181.06415	2.2
181.08461	1.9
181.10739	2.2
181.12216	31.6
182.08142	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
51.65947	1.1
53.03945	6.7
55.01881	5.9
55.05497	5.2
56.96561	5.2
57.03416	3.6
57.07086	13.5
59.04994	3.0
65.03946	10.2
67.05507	7.5
68.99802	1.2
69.03442	5.7
69.07060	5.1
70.06602	1.7
71.01344	3.7
71.04985	2.0
71.50301	1.4
77.03911	2.3
79.05499	17.9
81.03419	6.7
81.07059	10.3
82.04195	2.5
83.04984	44.9
83.08676	1.6
84.08128	5.3
85.02893	5.4
89.03928	1.4
91.05479	25.1
92.31522	1.4
93.03401	2.9
93.07051	21.7
94.06555	1.9
95.04971	26.9
95.08609	3.3
97.02894	3.4
97.06530	23.0
98.97591	40.8
99.04442	1.5
103.05470	7.8
105.03415	2.1
105.04518	2.2
105.07047	10.4
106.04155	1.5
107.04978	7.8
107.08602	17.4
108.08109	1.6
109.02899	1.6
109.06522	4.6
109.10126	1.5
110.03690	4.3
111.04430	5.2
111.08079	3.2
116.98617	26.2
117.07047	4.7
119.04956	4.8
119.08608	5.8
120.08100	2.1
121.02869	7.7
121.04062	1.8
121.06500	18.1
121.10145	26.7
123.04420	5.0
123.08044	4.3
125.06001	48.9
129.43770	1.1
130.07782	2.9
132.33173	1.4
133.02847	4.6
134.99648	11.4
135.04428	11.8
135.08084	9.8
135.11722	7.2
136.07559	5.1
137.05989	13.8
137.09598	2.3
138.03107	1.9
139.03897	2.5
139.07524	1.9
142.02553	1.7
145.02968	1.6
145.10147	15.7
148.05292	1.3
149.02364	56.0
149.05978	5.7
151.07565	3.0
153.05486	2.1
153.07173	1.4
153.09082	1.4
158.01280	2.5
163.03915	41.1
163.07512	3.9
163.11194	100.0
164.07097	2.9
164.11528	2.8
166.02574	1.6
166.06219	2.2
181.04990	27.0
181.06490	3.0
181.08530	9.6
181.09959	2.1
181.12213	30.5
181.13704	2.3
182.05750	2.6
182.08096	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03948	6.0
53.98643	1.2
55.01869	5.0
55.05503	4.6
56.96552	3.3
57.03441	9.2
57.07078	24.9
59.04985	3.2
65.03941	5.6
67.05514	6.9
69.03429	4.5
69.07061	6.6
70.90060	2.4
71.01350	1.9
71.05001	2.6
79.05498	18.5
81.03423	9.6
81.07059	11.1
81.13167	1.0
82.04180	2.0
83.04985	51.5
83.08606	2.1
84.08157	1.5
85.02895	4.5
89.03894	1.5
91.05484	19.9
91.87316	1.1
93.03395	3.1
93.07047	24.8
95.04975	23.7
95.08602	3.9
97.02905	2.7
97.06534	35.7
98.97596	34.9
103.05472	7.0
105.04508	2.0
105.07037	10.0
106.04169	2.4
107.04971	7.1
107.08603	18.8
108.08166	1.1
109.06502	2.5
109.10139	2.1
110.03669	2.3
111.04444	3.3
111.08082	2.0
115.05477	1.5
116.98627	17.2
117.03325	1.7
117.07007	5.9
119.04923	1.6
119.08570	6.0
121.02883	2.6
121.05676	1.5
121.06517	24.5
121.10143	24.5
123.04448	3.4
123.08051	3.0
125.06000	70.8
130.07755	2.9
133.02834	1.2
133.06465	1.2
134.03603	1.2
134.99651	6.6
135.04428	7.7
135.08052	10.9
135.09045	1.7
135.11703	9.0
136.07539	1.7
137.05966	3.3
138.03107	1.2
139.03922	1.5
139.07558	1.8
140.04704	2.9
142.02579	1.7
145.10130	13.7
148.05264	1.3
149.02325	11.2
149.05969	10.4
153.05489	4.0
153.06973	1.7
153.09126	2.2
163.03931	16.1
163.07513	4.4
163.11183	100.0
164.11566	1.8
166.06245	1.2
171.06566	1.2
181.05000	15.3
181.06445	1.8
181.08588	10.1
181.09908	1.6
181.12236	30.6
182.08150	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	182.0814
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
52.55093	0.6
53.03944	1.5
55.01860	1.4
56.94314	2.8
56.96571	8.1
57.03440	2.9
61.02919	2.1
67.05475	0.7
68.98279	0.7
69.03429	4.4
70.26886	1.7
70.27237	0.8
70.98113	1.3
70.99852	1.0
71.95238	0.8
72.93786	2.6
73.02926	5.0
81.03414	1.9
82.01443	2.6
83.00800	0.6
84.01582	0.8
84.08156	1.0
84.96029	2.7
85.02907	4.7
87.04471	2.2
89.00835	0.8
89.58037	0.6
90.94785	0.6
91.05488	37.8
93.07072	0.9
94.02650	0.7
94.06553	0.8
95.04974	17.5
96.01548	0.7
96.04488	2.6
97.02893	4.3
98.97592	9.8
100.02501	3.4
101.00881	3.2
102.02415	0.6
103.05461	1.5
105.00389	0.6
107.04971	2.2
108.02413	0.7
109.02859	0.8
109.06537	1.3
110.01279	1.0
110.97571	2.3
111.02938	1.4
113.00893	3.6
113.02395	0.8
113.96423	2.3
115.02467	0.9
116.98627	2.0
118.03568	1.0
118.06564	2.5
119.01888	5.7
119.04950	41.5
121.06493	1.7
122.06018	0.7
123.04437	53.8
126.98805	1.8
127.03910	1.0
128.02333	2.4
128.98608	1.9
129.02946	0.9
131.00235	1.4
131.01903	7.2
131.97400	0.8
136.07588	100.0
137.07942	0.9
139.02429	0.6
140.98610	1.5
143.01889	3.8
144.03384	0.7
144.99843	3.0
145.03467	2.1
147.04416	16.2
147.05537	1.2
149.02962	1.6
152.07100	0.6
154.03490	2.7
154.04657	0.7
154.08635	3.7
155.01920	2.3
158.97372	1.2
158.99673	3.6
159.01376	2.5
159.05063	0.6
161.02977	2.2
164.07079	2.3
165.05484	24.3
167.01897	1.2
168.01459	1.7
170.99643	0.9
173.02928	2.8
176.98456	0.8
177.00720	2.8
177.02480	4.2
182.02913	1.1
182.04402	1.0
182.05821	1.8
182.08138	9.0
182.11717	0.9
185.02963	1.5
191.29935	0.6
195.03522	1.1
200.04012	0.7
201.00706	0.9
203.03976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0815
Annotation	L-Tyrosine
Peak:m/z	Relative Intensity
55.01861	1.4
56.05045	0.5
56.94312	2.6
56.96569	9.1
57.03439	2.7
58.09841	0.5
58.99854	1.7
61.02928	2.3
65.03944	0.9
68.98289	0.9
69.03429	1.2
69.56084	2.9
70.98123	6.7
70.99863	3.9
71.01339	0.6
71.95237	0.6
71.99933	0.5
72.08152	0.6
72.93790	2.0
73.01418	1.4
73.02911	1.8
74.00243	0.6
77.00916	1.1
77.03892	0.4
78.95282	1.1
81.03405	0.5
82.01450	5.8
82.99829	0.9
84.96039	2.3
85.02911	2.6
86.99342	1.1
88.99158	1.6
89.00863	2.1
91.02467	1.6
91.05488	38.5
92.01274	0.5
92.05788	0.5
95.04974	17.0
97.01357	0.7
97.02898	1.1
98.01289	0.8
98.97591	7.4
99.01875	0.5
99.04420	0.8
100.02486	6.1
101.00883	3.5
101.01563	0.9
102.39335	0.5
103.03937	0.8
103.05457	1.8
104.01275	0.6
105.04520	0.6
107.01890	0.5
107.04957	1.7
108.02391	0.9
108.97747	0.9
109.06532	1.4
110.02194	0.9
110.97577	1.5
113.00858	2.6
113.96405	1.8
115.02439	1.1
116.98628	2.1
118.03579	0.6
118.06546	2.0
119.01968	3.2
119.04951	43.7
119.97922	1.1
120.02050	0.7
121.01709	0.5
121.06504	1.1
122.02109	0.8
122.94229	0.6
123.04439	55.9
123.99749	0.5
124.04778	0.9
124.95430	0.7
124.99128	0.6
126.98797	7.3
127.03941	0.5
128.98616	1.1
129.04022	0.7
131.01910	3.7
131.02751	0.8
133.03456	1.5
136.07588	100.0
137.06009	0.6
137.07924	1.5
140.95250	0.9
140.98599	1.4
141.00298	0.6
142.03494	1.0
143.00171	0.6
143.01918	1.1
144.99840	10.7
145.03473	1.1
146.99615	0.6
147.01396	1.3
147.03250	0.9
147.04408	17.8
148.04807	0.5
150.00375	1.2
154.03490	0.7
154.08632	0.9
155.01912	0.6
157.03505	0.7
158.93831	0.6
158.99683	3.8
159.01389	4.9
159.02707	0.5
159.03169	0.5
161.01070	0.7
161.02969	1.2
163.00949	0.4
163.96852	0.9
164.05717	1.2
165.05487	27.6
166.05962	0.5
168.01433	4.2
173.02992	0.8
174.99240	0.6
177.00746	2.9
177.02475	11.2
182.03029	1.5
182.04439	0.6
182.06767	1.0
182.08121	3.7
185.02994	0.7
195.03494	1.1
200.04160	1.0
201.02451	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0813
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
53.03954	1.4
53.47226	0.4
53.49354	0.4
55.01885	0.8
56.05850	0.4
56.96581	1.2
58.02975	0.4
58.06599	0.6
60.04529	0.5
65.03944	7.6
67.05508	90.3
68.05045	0.8
69.03426	1.3
69.07068	8.4
69.29286	2.1
69.29713	1.4
70.06603	0.5
71.05017	0.6
79.05494	1.5
80.05023	1.6
81.03430	1.3
81.07056	1.6
82.06645	0.4
84.08173	0.9
85.04935	0.4
86.02431	2.3
86.06079	1.3
86.81288	0.4
91.05497	2.1
92.05840	0.7
93.05799	0.8
93.07048	0.9
94.06577	1.9
95.04974	100.0
95.08611	0.7
96.05298	1.8
97.02881	0.5
97.06535	0.8
98.70266	0.4
98.97596	1.9
98.98461	0.7
99.04481	0.4
99.97923	0.8
104.05824	0.4
105.03416	1.0
105.04482	0.5
107.04958	0.6
108.04483	0.8
108.08128	1.8
109.02883	1.4
109.06547	1.3
110.06014	1.3
113.06029	1.6
116.98635	1.0
118.06554	0.9
119.01856	0.4
119.04932	1.2
119.97855	0.6
120.08102	1.2
121.06517	0.9
122.06012	1.1
122.06839	0.5
123.04442	3.4
123.08109	0.5
124.07539	0.8
125.02366	0.4
126.09189	0.7
134.05972	0.7
135.04448	0.4
136.04788	1.5
136.07578	10.2
136.08568	0.8
137.05981	1.2
138.05440	0.7
138.06374	0.7
138.09105	0.5
139.03914	0.5
140.04704	0.9
140.06998	0.4
140.95267	0.5
141.01830	0.4
146.03172	0.8
147.04390	0.5
152.07083	0.8
154.04942	0.6
154.08641	11.2
155.06996	0.4
158.97432	0.7
158.99567	0.4
163.96890	0.5
164.04282	3.5
164.05763	0.6
164.07059	4.1
164.08286	0.7
165.05502	1.0
166.98746	0.5
177.00700	0.6
182.00957	0.8
182.04419	0.7
182.05440	1.0
182.08128	19.0
182.11749	1.2
183.06441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
55.05516	8.5
56.47002	0.7
57.03410	1.7
57.07059	2.8
58.02963	37.2
59.41786	0.7
66.77884	0.8
67.05505	23.8
69.03404	0.8
69.07071	67.5
69.16685	4.7
69.17113	4.0
70.06572	3.5
72.08104	1.0
74.06065	1.8
75.56344	0.7
79.05501	6.2
81.06595	1.4
81.07057	21.0
82.06581	0.9
83.04963	1.6
83.08624	8.9
84.04500	1.5
84.08139	9.4
91.05471	6.3
93.07050	11.0
95.04960	3.2
95.08627	8.5
97.06535	5.7
98.06040	3.0
98.09680	1.1
98.97598	1.0
100.07629	7.0
105.07030	15.2
107.07888	1.2
107.08598	16.6
108.08902	0.8
109.06517	1.9
109.10157	52.0
110.10468	1.3
111.08052	1.1
112.07618	2.2
114.09169	13.8
119.08576	1.1
121.10145	2.0
123.08070	1.0
123.11717	9.5
126.09161	14.5
126.12749	1.8
128.10699	1.1
133.10130	28.5
135.11694	19.6
136.07550	1.0
138.12790	21.7
140.10701	2.0
140.14351	1.4
147.11705	4.4
151.11200	10.1
153.12762	13.7
154.08582	1.3
154.15927	2.4
164.14349	3.9
165.12741	3.7
182.08156	2.3
182.15407	100.0
183.15715	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	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01877	14.3
56.20574	1.3
56.96574	8.6
57.03440	41.8
58.03768	2.0
58.99857	2.6
61.02642	2.2
61.02931	25.0
68.98302	3.7
69.03431	41.5
69.76120	8.1
70.06572	1.4
70.98114	2.8
70.99848	5.2
71.01350	3.6
71.04998	3.1
72.93764	1.5
73.02923	60.8
75.01917	2.3
79.02149	2.1
80.01100	1.4
80.02931	1.7
81.01911	2.9
81.03429	15.2
82.01413	1.5
82.99851	16.7
85.02137	2.5
85.02909	49.1
86.09686	1.8
86.99338	2.5
87.01907	4.5
87.04472	2.6
88.02681	6.3
89.00895	2.6
91.64183	1.5
92.05815	1.7
92.72873	1.5
93.01916	11.4
93.51999	2.0
94.02676	5.0
94.52695	2.2
94.99812	4.6
95.04950	1.7
96.02419	4.9
97.01403	3.5
97.02295	2.7
97.02895	41.6
98.01430	1.4
98.97582	8.2
99.01913	3.2
99.04453	9.0
100.02676	8.6
101.00890	88.0
102.01007	5.2
102.02409	18.8
102.52493	2.8
103.00635	2.8
103.02460	2.1
103.03232	1.7
103.03924	2.0
104.10746	4.1
105.01893	2.5
106.02659	4.1
107.01645	1.3
107.03445	3.1
108.02425	5.2
109.01401	2.0
109.02837	9.5
110.91709	1.3
111.02938	17.8
111.53036	2.4
112.02649	3.2
113.00877	33.3
113.03436	1.5
114.00974	3.1
114.02381	9.3
114.52554	2.4
114.55842	1.7
115.02420	11.0
115.03186	3.7
115.03936	2.3
116.98698	1.7
117.02943	3.8
119.01927	100.0
120.02082	4.2
120.03384	1.3
120.05296	2.3
121.03180	3.2
123.02920	11.9
123.52945	1.7
124.02444	2.8
124.04742	3.2
125.00862	2.6
126.02383	2.0
126.20372	1.4
127.02467	8.2
127.03134	1.9
127.03946	11.3
127.98819	1.5
128.02411	2.6
128.98564	1.9
129.00360	3.0
129.02921	10.2
129.03908	3.1
129.52997	2.1
130.03694	3.3
131.01898	44.8
131.02815	3.0
132.02031	4.6
132.03413	7.2
133.03471	6.4
135.02946	4.5
136.03662	1.7
137.00793	1.6
137.02988	11.1
137.07925	4.5
138.03427	14.6
138.53490	3.1
139.02414	6.3
141.02936	1.6
141.03973	2.8
142.03514	21.2
143.01909	69.0
144.02017	6.1
144.03447	6.4
144.99815	2.2
145.01735	3.0
145.03448	20.9
145.04597	1.7
145.04991	1.3
145.99899	2.3
146.03560	3.4
147.01382	4.6
147.03972	3.7
149.02972	3.6
153.03934	5.6
155.01906	56.1
156.02048	5.6
157.01604	1.6
157.03484	19.3
158.03563	2.9
159.01405	2.6
160.04590	6.3
161.02960	51.0
162.03098	4.6
166.05798	2.4
167.01917	17.9
168.02202	2.6
169.03496	5.7
171.01395	2.1
173.02972	60.5
174.03154	6.9
175.02776	1.6
175.04538	1.5
178.02560	2.0
179.01996	3.9
179.04013	7.3
183.06223	3.3
185.02966	38.7
186.03131	5.1
187.02824	1.7
187.04527	4.6
191.03990	3.4
192.53798	1.7
197.02975	5.4
199.04605	2.9
203.04034	19.3
203.92599	1.5
204.04195	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	183.0654
Annotation	Homovanillate
Peak:m/z	Relative Intensity
51.02380	0.7
53.03950	4.3
55.01872	1.6
55.05517	1.0
56.96573	2.7
57.03439	0.8
65.03934	2.7
67.05505	5.4
68.05845	0.9
69.03429	2.1
69.07061	0.7
70.06582	1.2
71.01356	0.5
71.04996	1.3
72.08139	0.7
73.02917	0.6
77.03923	1.9
79.05514	2.9
81.03440	2.2
81.07052	3.4
83.04984	1.0
84.04499	0.5
84.08121	1.8
84.96062	0.7
85.02898	1.5
85.06572	0.5
91.05489	2.7
93.03428	1.2
93.07034	1.3
94.04202	2.9
95.04974	20.7
95.08612	2.4
96.04498	0.6
96.05315	1.2
97.02876	1.3
97.06533	1.5
98.21515	1.5
98.97597	2.5
98.98473	7.5
99.04446	2.7
99.08073	0.8
101.00899	0.7
101.95050	1.4
102.81570	0.5
105.03402	12.1
105.04523	1.7
105.07008	1.2
107.04965	6.9
109.02874	1.7
109.06512	2.8
109.10169	1.6
110.03660	10.0
110.97581	0.7
111.04447	3.2
116.98610	0.6
117.06929	0.5
119.01917	2.0
119.04984	1.2
119.08572	1.5
119.91374	0.5
121.02899	0.5
121.06546	0.6
122.03648	8.6
123.03580	1.1
123.04435	16.5
123.08076	2.6
124.04713	0.6
124.07582	0.7
125.02385	1.1
125.06001	15.8
127.01571	1.4
127.03925	1.0
128.98653	0.6
133.02859	100.0
134.03203	1.5
134.99693	0.6
137.05984	46.4
137.09566	2.2
138.06424	0.8
138.09175	0.6
139.03914	1.9
139.07574	0.4
139.08632	0.8
140.04706	5.2
141.05490	0.8
141.06967	0.5
142.03519	0.5
146.99680	0.6
147.04401	1.3
155.07033	3.6
155.09003	0.7
158.28036	0.4
165.05493	16.3
165.06929	0.8
165.09126	1.7
166.05927	0.5
166.08658	1.3
183.06590	7.1
183.08089	1.0
183.10091	2.3
183.11389	1.1
184.09723	2.2
199.02795	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
50.17776	0.3
50.52542	0.4
51.01195	0.4
51.02385	1.7
53.03949	16.3
55.01872	4.4
55.05518	0.7
57.03467	0.5
59.04991	0.5
65.03944	5.4
66.61745	0.4
67.05510	11.0
68.99808	0.4
69.03452	1.1
69.07060	0.7
70.06606	1.3
71.04984	1.2
71.50819	0.6
77.03940	3.7
79.05502	1.6
80.02627	0.7
81.03415	2.8
81.07054	2.1
82.06602	0.5
83.03764	0.4
83.04979	1.2
84.08159	0.8
85.02930	0.8
86.06073	0.5
91.05478	1.4
93.03445	0.8
93.07057	1.7
95.04973	100.0
95.08593	1.9
96.05310	1.0
97.02896	1.4
97.06553	1.8
98.03728	0.6
98.98473	2.9
99.04459	2.9
105.03404	4.9
105.04517	8.9
105.07062	0.8
107.08604	0.6
108.02098	0.9
109.06522	1.8
109.10149	1.2
111.04452	1.1
114.05495	0.6
119.08593	1.4
121.03975	0.9
123.04437	83.8
123.08057	3.0
124.04824	1.2
124.07581	1.3
125.02351	5.7
125.06004	1.1
127.01585	0.8
127.07549	1.4
133.02866	1.0
136.28815	0.4
137.05997	1.7
137.08031	0.4
137.09624	2.0
137.10661	0.6
138.09134	0.9
140.04691	33.3
141.05348	0.8
147.08000	0.7
151.03931	1.3
155.07036	19.4
155.10585	0.7
165.05504	0.8
165.09094	1.1
166.08670	1.0
168.07396	0.6
183.06549	5.1
183.08083	0.9
183.10049	1.2
183.11403	1.9
184.09709	1.7
198.69283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02383	1.0
53.03951	19.0
55.01874	4.5
55.05504	1.4
57.03417	0.6
57.07075	0.5
59.07431	0.6
65.03645	0.7
65.03946	5.5
67.05507	10.5
69.03429	0.7
69.07069	0.9
70.06599	0.6
71.04995	1.6
71.50832	0.8
73.06562	1.1
76.40737	0.5
77.03940	3.4
79.05498	2.2
80.02653	0.5
81.02998	0.5
81.03420	3.0
81.07053	3.2
83.04985	0.9
85.06535	0.8
91.05476	0.6
93.03436	1.0
93.07047	1.8
95.04974	100.0
95.08610	2.5
96.05317	0.7
97.02874	0.8
97.06529	2.8
98.39688	0.5
98.98476	3.6
99.04489	1.1
99.08117	2.8
105.03433	2.6
105.04514	9.7
105.07027	1.3
107.08590	0.8
109.06540	0.7
109.10194	0.7
110.03685	0.7
111.04441	1.1
111.08071	0.8
119.08566	0.9
121.03974	1.0
121.10132	0.7
123.04435	84.4
123.08051	1.9
123.11692	0.7
124.04756	0.8
125.02369	5.2
125.05964	0.6
127.01569	0.7
127.07561	1.8
137.07915	1.2
137.09607	1.5
139.01555	0.5
140.04691	33.5
140.10698	0.7
141.05324	0.5
151.03885	1.5
155.05768	1.0
155.07045	20.6
155.08438	1.1
162.13843	0.5
165.07434	1.1
166.08623	1.1
183.06577	4.3
183.10182	0.6
183.11682	1.6
183.13647	1.0
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
52.57505	1.6
53.03951	17.0
55.01861	5.9
55.05518	10.9
55.28114	1.3
57.07076	2.4
65.03932	6.5
67.05506	18.2
69.03420	3.3
69.07072	9.2
70.06602	2.9
71.04994	21.0
71.50856	2.9
73.06550	11.1
77.03932	2.8
79.05479	11.2
81.03391	4.2
81.07056	24.8
83.04984	8.3
83.08609	1.9
84.08123	1.6
85.06542	7.8
91.05466	6.2
93.07045	12.8
94.04210	1.5
95.04970	100.0
95.08614	14.7
96.04443	1.5
96.05286	2.3
97.02891	1.6
97.06533	36.2
98.05509	1.4
98.98473	17.4
98.99796	1.6
99.04445	4.4
99.07494	3.1
99.08094	37.1
100.11225	2.3
105.03394	21.3
105.04502	7.8
105.07034	10.3
107.08602	9.5
109.06519	6.4
109.10155	6.4
111.04430	2.5
111.08083	4.8
119.08569	3.7
121.10129	3.5
123.04433	84.0
123.08076	7.7
123.11731	7.2
125.02333	5.2
125.05999	2.9
125.09647	1.5
127.01532	2.6
127.07552	5.7
128.06226	1.7
133.02832	1.5
137.05969	4.2
137.07906	4.5
137.09618	3.2
137.13245	6.7
139.11142	1.8
140.04684	27.2
141.05450	2.0
147.11746	3.0
155.07028	17.6
155.08357	2.5
165.07423	1.8
165.09082	2.3
165.12758	3.8
166.08620	3.0
166.15860	1.6
168.09161	1.7
175.35249	1.4
183.06541	4.3
183.07957	2.2
183.11598	3.7
183.13901	10.2
183.15587	10.1
183.18547	2.4
184.09666	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Nordavanone
Peak:m/z	Relative Intensity
53.03931	8.9
55.01866	9.5
55.05511	15.6
57.07079	4.2
61.78887	1.9
65.03925	3.8
67.05520	16.6
69.03413	7.7
69.07070	16.3
69.64960	14.6
71.04996	59.5
73.04398	2.2
73.06561	28.6
74.67870	2.3
79.05495	25.6
81.03448	2.8
81.06592	4.0
81.07057	64.3
83.04971	7.6
83.08558	3.1
85.06556	17.9
87.08094	3.4
91.05480	7.1
93.07040	28.6
95.04967	30.5
95.08064	3.0
95.08611	29.6
97.06531	90.5
97.07160	4.6
97.08655	2.4
98.98472	8.5
99.04504	4.3
99.08093	100.0
105.03369	7.4
105.04533	3.1
105.07034	23.5
107.04957	2.4
107.08568	12.6
109.02895	2.9
109.06547	11.2
109.10147	8.1
109.48595	2.4
111.08075	10.3
112.40285	2.2
114.62821	2.5
119.08576	9.0
121.10109	11.3
123.04429	26.7
123.08083	6.4
123.11711	14.5
125.06010	2.6
127.07559	15.5
134.87112	2.9
137.06061	2.5
137.09631	4.0
137.13243	15.5
140.04681	9.8
147.11720	11.7
153.07025	2.5
155.07007	5.4
165.12746	10.2
168.09270	4.6
183.06540	4.9
183.11691	4.7
183.13782	16.6
183.19357	2.8
184.09706	3.9
186.44989	2.8
191.72180	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98697	0.2
68.17689	0.2
71.16800	0.4
82.01417	0.2
82.99847	6.8
100.02468	0.3
101.00887	55.4
101.95029	1.3
102.00966	1.4
104.26197	0.2
111.00457	0.3
119.01926	100.0
120.02010	2.1
121.02399	0.3
124.02472	3.9
130.03439	0.2
133.03503	0.3
133.35027	0.2
136.23705	0.2
137.02965	15.2
138.03070	0.2
138.76817	0.2
142.03505	23.9
143.01917	1.1
143.03600	1.1
144.05080	0.6
160.04578	3.4
161.02962	12.1
165.05132	0.3
166.08665	0.2
179.04022	9.4
179.05608	0.5
184.04582	0.7
184.09740	0.9
185.02933	0.2
202.05627	0.6
204.20953	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01862	2.3
56.96571	8.7
57.03442	7.1
60.78915	0.7
60.95851	0.7
61.02935	5.1
63.21883	0.6
68.41779	0.7
69.03439	4.9
69.21290	5.9
70.98115	2.3
70.99858	0.9
71.01353	1.1
71.95261	1.1
72.08593	0.6
73.02919	10.1
74.03254	0.9
75.16868	0.6
81.03416	2.4
82.99834	7.4
84.12032	0.7
84.96062	1.0
84.99615	0.7
85.02899	8.1
86.03247	0.9
86.09718	1.4
88.99171	0.6
92.10354	0.7
93.51987	0.8
94.01786	0.7
97.01393	0.8
97.02892	6.7
98.03228	1.0
98.97573	7.1
99.04443	1.3
99.97926	0.8
100.52747	1.4
101.00887	60.7
102.00949	3.9
102.52489	1.5
102.96874	1.2
103.00636	2.9
103.01274	0.7
103.02312	1.2
104.01311	0.7
104.10759	1.9
106.01762	0.6
107.04948	2.5
108.52426	0.8
109.02876	1.5
110.01275	1.2
110.03275	0.8
110.97582	1.9
111.02934	0.6
111.52996	1.6
112.02843	1.1
113.00852	2.2
113.02404	0.6
114.01000	0.9
115.00616	1.9
115.02413	1.8
115.03979	0.9
116.98658	1.5
117.02199	0.9
119.01926	100.0
120.01971	4.2
121.01655	1.7
121.02412	0.8
123.02953	0.8
123.52945	1.2
124.02421	3.6
124.95493	1.7
125.00027	0.8
127.02419	1.2
127.03949	1.9
128.02455	1.0
128.98593	2.3
129.53085	1.1
131.00117	0.8
131.01909	2.9
132.02052	2.3
132.53600	0.9
133.01657	3.7
133.03413	1.5
137.02968	14.8
138.53528	1.1
139.03322	1.0
141.02097	0.8
142.03511	20.7
142.96524	2.1
143.00203	1.4
143.01915	9.1
144.02019	4.8
145.01630	4.2
145.03473	2.5
146.03644	1.3
146.99620	1.3
147.01367	1.0
150.01892	0.8
155.01900	2.5
156.02048	3.6
156.03210	1.1
157.01656	4.1
157.03516	1.5
158.03615	1.3
160.04559	3.5
160.95375	0.9
160.97610	0.8
161.01460	1.2
161.02968	19.1
161.04156	1.0
162.03120	3.1
163.02777	2.0
168.02065	1.2
169.01740	1.2
173.02975	2.0
174.03120	3.8
175.02779	2.3
176.04585	0.8
177.00618	0.7
179.03993	7.8
184.02936	0.7
184.04512	2.2
184.07365	1.1
184.09702	0.9
184.97578	0.9
185.03018	1.6
186.03183	3.1
187.02785	2.7
198.03169	0.8
204.04300	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09965	0.4
56.96299	0.5
56.96567	5.7
57.03431	1.6
59.26713	0.4
61.02924	0.9
61.48612	0.4
69.03430	1.2
69.15741	0.4
69.49821	0.4
69.61192	2.6
70.34961	0.4
70.98114	2.5
70.99841	0.5
71.95269	0.8
72.96001	0.5
73.02914	1.2
75.09963	0.4
80.94981	0.5
81.03423	0.5
82.01447	1.6
82.99844	8.1
85.01398	0.5
85.02901	1.7
85.96290	0.5
88.99183	0.6
89.00806	0.5
97.01363	0.4
97.02882	2.1
98.97582	4.9
100.02500	1.5
101.00887	59.0
102.00970	1.6
102.02296	0.7
103.00581	0.7
110.97540	1.0
111.00343	0.5
113.00874	1.4
114.04025	1.3
115.00614	0.5
115.02448	1.3
116.98633	1.3
118.03513	0.6
119.01928	100.0
120.01994	2.9
121.97569	1.0
124.02464	3.9
124.93945	0.5
124.95505	1.0
126.04039	1.0
127.03931	1.2
128.98590	1.5
131.01884	1.9
133.01646	0.8
133.03470	1.0
136.07578	0.6
137.02963	15.1
138.08052	0.6
140.02284	0.5
142.03505	21.5
142.94943	0.4
142.96507	1.3
143.01900	3.9
143.03647	1.2
144.02068	0.4
144.05075	1.1
145.01726	0.5
146.99629	1.2
147.01332	0.4
156.05144	0.7
160.04533	3.3
161.01198	0.9
161.01488	0.9
161.02971	19.2
162.03088	0.7
165.96550	0.6
166.03482	0.6
173.02902	0.7
174.03122	0.6
175.02762	0.6
179.02257	1.5
179.04004	8.9
180.04277	0.8
184.04507	4.4
184.09653	0.7
185.03024	0.5
202.05676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.01029	0.4
55.01854	0.4
56.05035	1.3
58.06607	0.7
60.08166	18.6
61.08515	0.3
61.54947	0.4
63.35168	0.4
68.88524	0.4
69.40847	3.1
70.06586	0.6
71.07381	12.5
74.01746	0.4
86.09710	100.0
87.10051	1.6
98.20757	0.6
98.98467	18.1
101.95014	3.3
104.10751	4.3
119.96094	1.0
124.07631	0.5
125.00012	83.6
126.00365	0.5
137.97136	0.6
138.09084	0.6
143.01030	0.5
156.06561	0.4
160.09874	0.4
166.08690	0.9
184.07349	87.3
184.09615	3.1
185.07631	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.23910	0.3
51.49827	0.4
56.05043	1.5
56.67539	0.3
58.06623	1.0
60.08168	19.5
62.53236	0.3
69.85874	2.1
70.06593	0.5
71.07381	11.4
71.95267	0.6
86.09712	100.0
87.10046	1.0
91.51366	0.4
95.67051	0.3
97.59635	0.3
98.98475	19.4
100.67322	0.3
101.95039	20.7
104.10749	4.6
104.24821	0.4
110.06060	0.4
119.96076	7.4
124.04822	0.4
125.00014	84.2
128.06210	0.8
129.07008	0.4
137.97099	2.8
138.09148	1.0
142.07755	0.5
142.97667	1.0
143.08589	0.8
148.07585	0.3
152.07008	0.5
155.98120	0.5
156.06514	0.6
156.09308	0.5
157.10132	1.3
160.98724	1.3
166.08641	1.1
170.23619	0.4
178.99794	0.5
184.07355	97.3
184.09639	3.8
185.07635	1.3
185.13333	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	184.0971
Annotation	chaetoglocin D
Peak:m/z	Relative Intensity
53.03951	0.7
54.03486	0.6
54.04266	0.5
55.01878	1.0
55.05518	1.5
56.05039	1.2
56.96563	0.5
57.03452	1.0
58.02972	3.3
60.04531	15.5
67.05507	2.1
68.05028	1.1
69.03436	1.1
69.07075	100.0
70.06595	2.3
71.04994	1.0
71.08633	2.3
71.51045	0.5
72.08154	1.2
72.29031	0.5
73.02915	0.6
75.30800	0.5
79.05495	0.8
80.05042	0.6
81.03444	1.0
81.07074	0.7
82.06593	1.2
83.04992	0.6
84.04539	0.6
84.08170	1.0
85.02921	1.3
86.02437	15.2
86.06088	1.5
86.09722	1.5
93.07050	1.6
94.06548	1.2
95.04971	1.5
95.08656	0.8
96.04507	3.5
96.05310	2.1
96.08155	1.6
97.02893	1.3
97.06546	5.9
98.06065	1.5
100.07615	1.4
101.00900	1.1
101.95045	2.8
103.05457	0.6
105.03355	0.8
105.07002	0.8
108.08133	1.0
110.06047	1.9
110.09702	1.9
111.04458	0.6
112.07626	1.9
114.05532	1.1
119.01968	2.3
119.96043	1.2
120.08119	1.8
121.06492	0.6
121.10187	0.6
123.04457	1.1
123.08115	0.9
124.04748	2.5
124.07598	2.3
125.00045	0.6
125.05970	0.9
126.05515	1.1
126.09174	0.6
128.07126	0.7
133.01649	0.5
136.07590	0.7
137.02994	0.6
137.83310	0.5
138.05482	1.9
138.09140	9.9
138.11069	0.4
140.07051	2.7
141.05078	0.9
142.03513	0.5
142.05002	0.6
142.08658	1.0
142.42903	0.5
145.03545	0.5
148.07587	1.9
152.07074	1.3
153.05476	0.8
154.06253	0.6
156.06522	0.6
156.08124	0.6
156.10229	5.3
161.02917	0.6
166.08646	7.9
172.56363	1.3
173.06503	0.6
181.56879	1.3
184.09709	47.0
185.04504	0.7
185.10098	0.8
200.07761	0.8
201.58478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0421
Annotation	Dibenzothiophene
Peak:m/z	Relative Intensity
51.83223	6.1
54.55330	5.2
56.96574	34.4
58.99861	9.8
59.12415	6.9
61.02917	5.9
63.92684	6.4
67.05491	6.2
68.98292	6.9
69.03450	12.1
69.36277	56.3
71.95255	7.5
72.93797	8.3
73.42922	8.9
79.33812	6.8
82.11594	5.8
85.02901	9.4
86.99366	5.9
87.09965	6.9
97.02891	13.2
97.48573	6.6
98.97613	11.9
100.02448	8.6
101.00885	48.1
103.10741	5.8
113.00842	17.9
114.05581	12.5
115.02432	18.2
119.01929	70.8
120.02026	20.1
121.01670	9.5
125.05989	6.5
126.05486	8.5
127.02470	6.9
128.96324	9.4
131.01923	50.6
133.01633	7.0
133.03432	11.0
138.03104	10.1
143.01904	12.8
145.03479	17.0
150.83723	6.2
155.01939	8.0
157.03467	25.3
161.02962	50.0
162.03052	11.4
168.01404	7.5
173.02983	14.3
181.01726	6.1
185.02887	43.8
185.04265	100.0
185.09166	8.4
202.98747	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	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.05515	1.4
65.03948	1.9
67.05510	1.7
68.99796	2.2
69.07069	0.7
69.69242	4.0
71.05060	0.6
72.08150	1.7
75.04458	1.0
79.01846	1.7
79.05534	0.6
82.04202	1.7
83.04984	1.2
85.02908	1.2
86.09693	3.1
86.45631	0.6
93.03403	1.7
93.07045	0.7
95.01324	8.4
95.04972	2.1
97.06525	0.8
98.21497	0.8
98.97636	0.8
99.04478	1.9
107.01321	1.0
109.02893	1.7
110.03671	29.1
111.04450	8.4
123.04406	2.9
125.05999	83.0
126.06340	1.9
127.03924	5.6
138.03133	1.1
139.03906	19.4
139.07484	0.9
139.11238	0.8
140.04547	0.7
141.05524	0.8
142.05963	1.1
153.05475	100.0
154.06259	45.6
155.03368	3.5
155.06873	0.8
156.04239	0.8
157.10098	0.6
169.04982	0.9
170.05727	7.1
185.04547	1.1
185.08109	26.0
185.13217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0809
Annotation	2,4,6-Trimethoxyphenol
Peak:m/z	Relative Intensity
51.02378	0.7
57.30335	0.5
57.39303	0.5
65.03960	0.9
67.05487	1.3
68.99797	2.1
69.03428	0.7
70.63387	1.2
71.05019	0.7
75.04479	1.1
79.01865	1.8
82.04218	2.6
83.04984	1.4
85.02928	0.6
86.09703	0.7
93.03416	1.3
95.01333	8.3
95.04951	1.6
97.06540	0.7
99.04455	1.3
107.01305	0.6
109.02876	0.9
110.03666	28.2
111.04459	6.9
123.04425	2.0
124.05267	0.7
125.05997	77.3
126.06313	1.1
127.03930	6.0
138.03149	1.5
139.03908	21.1
139.26291	0.5
140.04749	0.8
142.06158	0.6
153.05473	100.0
154.06264	40.0
155.03395	4.0
155.06937	1.3
156.04219	1.4
157.08716	0.5
170.05760	7.9
184.60150	0.5
185.08109	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	185.081
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01863	0.6
55.05508	1.1
57.73557	0.5
58.52844	0.6
59.04992	0.8
65.03931	2.2
67.05510	2.6
68.99780	2.7
69.03424	0.9
69.07085	0.8
69.23421	4.5
71.04977	1.0
75.04463	0.7
79.01853	2.6
79.05492	0.9
80.02191	0.5
81.03442	0.8
81.07033	1.0
82.04197	2.5
83.04964	1.1
84.04499	0.8
86.09707	3.8
86.89216	0.5
93.03413	2.2
93.07031	1.2
95.01330	5.4
95.04974	2.0
95.08624	0.6
96.04572	0.5
96.05293	0.5
97.06532	1.5
98.09669	0.5
99.04438	0.7
107.08579	1.1
109.02874	1.1
110.03670	22.0
111.04466	5.9
114.05490	0.5
121.06509	1.1
121.10146	0.8
123.04440	1.4
125.05999	100.0
126.06332	1.4
127.03945	3.6
128.06229	0.6
135.05443	0.6
138.03125	0.7
139.03914	11.9
140.04633	0.9
140.10716	1.9
141.05432	0.7
142.07785	1.2
153.05475	67.0
154.06262	22.4
155.03412	2.2
155.06995	0.7
155.08476	0.5
156.04187	0.6
157.06514	0.9
157.10135	1.0
163.01680	0.7
167.10669	0.9
170.05762	3.8
170.10905	0.6
180.99503	0.6
185.08118	21.2
185.09581	1.0
185.11771	0.9
185.13229	1.2
186.11188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1538
Annotation	Chokol G
Peak:m/z	Relative Intensity
53.00307	3.7
53.03934	3.6
55.01876	3.0
55.05511	24.5
57.03421	9.5
57.07067	8.6
59.04986	8.3
60.77351	2.3
65.03939	3.2
65.55387	2.3
66.04653	2.7
67.05508	37.5
69.03434	3.9
69.07071	33.1
70.06567	4.5
71.04995	96.4
71.51119	3.5
72.04538	2.5
72.08161	4.4
73.06559	12.3
79.05491	37.9
81.07056	99.2
83.04972	8.5
83.08615	19.8
84.08138	3.3
85.02892	10.4
85.06532	7.6
85.13802	2.4
86.09730	11.5
91.05466	12.5
93.07040	88.4
95.01315	3.3
95.04960	6.7
95.08611	100.0
97.02900	3.0
97.06522	11.5
97.10136	4.2
99.07496	3.7
99.08096	46.4
101.16078	2.4
105.07013	8.4
107.08595	85.9
107.66961	2.4
109.06508	8.4
109.10160	33.4
110.03651	17.3
111.04414	7.9
111.08077	16.3
113.05975	2.9
114.05512	10.8
116.07073	3.6
121.09333	4.0
121.10146	54.1
123.11699	36.7
125.05996	57.0
125.09631	10.0
126.05523	5.4
127.03937	4.0
128.06223	6.5
129.07008	4.9
131.08560	6.6
137.13203	5.9
138.03111	2.8
139.03926	16.7
139.11194	6.2
140.07025	5.1
140.10640	2.2
142.07777	5.7
143.08517	2.8
144.06516	5.1
149.09636	13.9
149.13257	83.5
153.05464	64.7
154.06270	23.6
155.08510	2.2
157.06462	4.5
157.10130	3.9
167.07005	3.1
167.10667	12.6
167.14311	37.0
170.10870	6.5
178.94633	2.8
181.03062	2.6
185.08064	16.1
185.09894	8.1
185.13411	5.2
185.15367	66.4
186.07634	5.4
186.11386	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	187.0603
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
53.03716	0.9
53.03955	12.5
55.01862	3.2
57.03443	1.5
61.02909	4.3
61.94814	0.9
67.13287	0.9
69.03435	85.0
69.47625	3.7
69.48041	2.5
71.05000	6.3
81.03425	100.0
83.01334	3.9
85.02912	63.1
90.15675	0.9
91.05479	2.3
97.02899	14.2
99.04456	12.7
105.07072	1.0
109.02893	30.0
115.03932	1.3
115.05439	1.7
116.06216	1.7
120.45638	0.9
124.21649	0.9
127.03923	45.0
128.06223	3.3
129.06982	2.4
131.04926	2.6
131.08545	3.7
141.06891	1.1
143.04854	0.9
144.05722	4.8
145.04980	17.2
145.06270	1.1
145.06558	1.0
145.10139	3.1
156.05759	1.1
159.04495	1.0
159.08090	9.0
172.05159	3.5
187.03954	4.9
187.05995	17.1
187.07565	19.8
187.11166	1.9
187.14807	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	187.0602
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
53.03927	4.7
55.01844	3.0
58.13560	1.5
61.02916	4.6
63.24991	1.4
69.03432	100.0
70.13833	5.3
71.04971	3.6
81.03000	2.6
81.03425	35.6
81.07055	1.7
83.01336	5.0
84.04505	3.0
85.02905	43.6
88.02250	2.0
88.07587	1.8
91.05490	10.6
97.02895	36.8
98.21309	2.8
99.04451	15.9
103.05435	3.0
109.02888	48.3
110.03241	1.6
114.50820	1.6
115.03926	1.9
115.05428	5.8
116.06238	10.6
117.07012	2.2
127.03926	46.2
128.06227	12.1
129.07019	15.0
130.07768	1.8
130.13152	1.5
131.04941	7.4
131.08562	11.4
139.03889	2.1
144.05704	23.0
145.04965	9.4
145.06015	1.7
145.10138	8.3
147.72385	1.6
155.04892	3.0
155.06050	4.2
156.05690	8.0
159.08060	54.6
159.11665	2.4
172.05231	7.8
187.03908	7.5
187.05983	15.7
187.07526	83.3
187.11099	5.7
187.14775	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	187.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
55.01864	2.7
57.03430	2.8
61.02913	5.3
69.03433	71.5
70.65854	1.3
70.66177	2.2
71.04990	6.8
81.03425	71.1
82.06583	1.3
83.01347	13.4
84.04509	11.9
85.02910	100.0
88.02217	2.2
91.05476	4.6
97.02899	24.6
99.04466	20.7
105.07037	1.6
109.02893	20.0
113.19260	1.1
115.05465	1.6
117.07088	1.2
119.08546	1.4
127.02973	2.0
127.03930	41.1
128.06201	5.0
128.07092	1.3
129.07013	3.4
131.04906	3.5
131.08560	5.1
139.72958	1.2
141.06944	1.6
144.05705	7.6
145.04993	5.8
145.06548	1.7
145.10143	7.1
156.05699	1.5
159.08075	11.1
159.11708	1.6
172.05203	5.3
187.04126	3.1
187.06010	47.6
187.07574	18.8
187.11183	3.1
187.14806	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	187.0602
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
53.03950	10.7
55.01866	4.0
57.03443	3.4
57.07098	1.7
61.02930	3.5
64.74071	1.4
68.99786	2.7
69.03436	52.4
69.43651	11.1
69.44050	2.9
71.04994	7.8
71.72237	1.8
73.84708	1.5
80.59295	1.3
81.03425	32.5
83.01359	8.7
83.04991	1.7
85.02910	40.6
88.02242	1.9
91.05465	1.9
94.24187	1.7
97.02905	20.5
99.04465	24.0
102.12836	2.3
107.82319	1.5
109.02889	18.8
115.03925	5.0
115.05458	2.3
127.03927	100.0
129.07124	1.5
131.04958	1.6
131.08546	3.8
140.47336	1.4
144.05722	3.0
145.04977	62.1
145.10135	5.7
159.08060	5.5
172.05125	1.9
186.22211	1.6
187.03932	5.5
187.06038	8.0
187.07593	8.9
187.11174	2.4
187.14850	5.3
187.22569	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	187.0755
Annotation	4,4'-Dihydroxybiphenyl
Peak:m/z	Relative Intensity
53.03955	4.2
55.01899	1.2
55.05507	0.7
55.56017	0.5
56.05037	0.5
57.03458	1.3
61.02928	2.8
69.03435	46.7
70.03770	0.8
71.01384	1.1
71.05003	2.5
71.51086	0.5
71.51503	0.5
73.02949	0.6
76.02257	0.6
79.05501	0.9
81.03423	25.4
81.07066	1.1
82.92428	0.5
83.01356	2.4
83.05004	0.6
84.04512	6.7
84.26884	0.4
85.02910	23.4
88.02239	1.9
88.07650	2.0
89.07983	1.1
91.05485	15.0
95.08648	0.6
97.02900	17.5
99.04454	6.8
103.03953	0.6
103.05476	2.8
105.07056	1.9
109.02885	24.8
115.05447	6.9
116.06248	18.3
117.07046	1.6
119.04933	0.8
119.08620	0.7
122.87933	0.5
127.02976	1.0
127.03924	20.6
127.05462	2.5
128.06226	17.2
128.07013	0.9
129.07024	19.6
131.04932	9.8
131.08582	10.6
139.03975	0.6
141.07004	2.4
143.04897	1.8
143.08566	0.8
144.05713	32.9
144.09369	1.0
145.04999	4.8
145.06488	2.9
145.10141	7.2
147.08040	1.1
155.04890	4.4
155.06056	6.2
156.05705	9.4
157.06429	1.3
157.07660	1.8
158.07259	0.7
159.08064	81.0
159.11618	2.7
160.08414	1.4
169.06467	0.7
169.10089	0.7
171.04417	1.5
172.05217	11.9
172.08803	1.0
173.00879	1.4
187.04207	6.1
187.06026	9.3
187.07544	100.0
187.14821	7.5
188.07841	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	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03939	7.4
55.01865	1.9
55.05511	7.8
56.05035	3.3
57.03421	2.0
57.07075	2.9
58.06613	1.5
59.05007	2.2
67.05508	6.4
69.03435	10.7
69.07069	21.1
70.06579	4.7
70.76729	3.1
70.77079	1.4
71.01363	1.3
71.04995	22.6
72.08154	3.4
74.06064	3.1
77.03976	1.7
78.93361	1.5
79.05499	19.4
81.03423	12.0
81.07058	100.0
83.04970	6.4
83.08603	4.3
84.04508	8.3
84.08134	10.7
85.02919	6.5
85.06530	1.4
86.09698	7.8
88.02206	7.2
91.05473	6.1
93.07047	3.9
95.04957	2.9
95.08597	3.6
97.02869	2.8
97.06530	7.9
98.97593	1.6
99.04446	2.3
99.08070	5.2
101.07133	2.8
103.05454	3.0
105.03342	1.4
105.07048	2.2
107.08611	9.8
109.02885	3.4
109.06519	2.6
109.10159	18.0
111.08115	2.3
111.11716	5.5
114.77290	1.4
115.05453	14.2
116.06282	1.8
117.07001	2.6
118.06517	2.7
121.10133	2.8
123.08087	1.4
123.11711	21.8
125.09626	1.5
127.03926	3.2
128.06218	2.7
128.07085	1.8
129.10252	1.7
131.04955	16.1
131.08553	4.3
133.10078	2.0
139.11217	6.4
141.06984	4.5
142.12254	2.9
143.04909	8.1
144.05682	7.6
144.08150	2.2
145.06531	2.6
146.05956	3.4
151.11153	9.4
157.12267	3.0
159.04378	2.8
159.07082	1.8
159.08101	11.4
169.06499	2.8
169.12254	6.1
169.93207	1.5
172.05188	4.0
173.00893	1.7
187.02255	2.2
187.03912	36.1
187.05673	2.7
187.05991	2.1
187.07512	21.1
187.11150	2.9
187.13144	1.3
187.14761	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3R)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.91415	0.9
53.03952	2.3
55.05514	8.0
57.03417	1.2
57.07075	2.7
59.04996	2.9
60.04524	6.1
60.63638	1.1
61.02931	1.6
67.05506	8.0
69.03416	3.6
69.06744	1.6
69.07077	21.6
70.06615	1.4
70.75917	1.6
70.76235	1.6
71.01346	1.7
71.04603	1.6
71.04997	23.7
72.07284	0.9
72.08158	16.1
73.06558	1.2
79.05498	22.5
81.03424	6.7
81.07062	100.0
82.07368	1.7
83.04983	6.3
83.08614	2.1
84.04526	5.4
84.08142	4.8
85.02904	2.6
85.06519	1.8
86.09694	3.1
87.05571	2.7
88.02206	2.6
91.05507	5.2
91.96886	1.1
93.07035	4.8
95.04951	3.4
95.08588	3.6
97.06519	7.3
97.10155	2.8
99.04453	2.3
99.08105	5.6
105.07040	1.9
107.08614	11.1
109.02863	1.4
109.06496	3.1
109.09475	1.6
109.10169	20.5
111.08087	4.4
111.11731	7.2
114.09159	3.7
115.05453	6.4
116.06202	1.0
121.10123	2.7
123.08080	1.2
123.11701	18.6
127.03937	2.0
128.06200	1.6
129.07001	1.2
131.04938	9.2
131.08539	2.7
133.10117	3.0
139.11163	7.5
142.12389	1.5
143.04930	2.3
144.05655	3.6
145.10097	2.0
146.05978	1.1
151.11212	11.8
155.05980	1.6
157.12296	2.5
159.04500	1.5
159.08101	6.4
159.11339	4.7
169.12268	5.0
173.00774	1.4
177.54561	1.0
180.46458	1.0
187.03935	19.8
187.05679	2.1
187.05969	1.8
187.07445	11.3
187.11104	2.1
187.14871	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	187.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.36245	0.7
55.01867	0.7
55.05513	2.2
57.07084	5.8
58.63575	0.6
63.95455	0.7
67.05512	9.5
67.90415	0.7
69.03436	6.0
69.07069	2.7
70.31500	0.6
70.69549	1.3
70.69920	1.4
71.01328	0.8
71.04961	0.7
73.58509	0.6
75.66177	0.7
79.05499	7.7
81.03429	7.6
81.07069	5.6
83.08624	2.6
84.04514	1.7
85.02890	3.3
85.82896	0.7
88.02229	5.5
91.05483	22.7
93.07040	6.4
95.08605	5.4
97.02901	1.4
99.04482	1.7
103.05455	1.0
105.07037	21.7
107.08582	4.4
109.02875	2.3
109.10147	1.0
114.05473	0.8
115.05429	4.2
116.06291	1.4
117.07017	21.7
118.07304	0.8
119.08588	18.0
121.10154	3.5
127.03925	2.1
127.05808	0.6
128.06238	1.1
129.07019	4.8
130.07803	5.1
131.04939	3.9
131.08578	63.4
132.08957	1.0
133.10135	3.9
141.07002	1.2
143.04910	2.1
143.08569	4.8
144.05800	1.2
144.09351	2.6
145.10132	96.0
146.10477	1.3
157.10187	0.9
158.10905	2.3
159.08072	1.8
159.11703	12.5
172.05099	0.8
172.12535	0.7
173.00797	2.3
185.13228	1.9
187.03934	9.9
187.05948	2.1
187.07312	4.3
187.11351	3.7
187.14833	100.0
187.22400	1.5
188.09279	0.9
188.15242	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
57.07086	5.4
63.11701	0.6
65.03940	1.2
67.05510	10.9
68.83627	0.8
69.03444	4.5
69.07063	3.5
69.23436	5.0
69.23841	2.3
77.93161	0.7
79.05500	5.8
81.03452	5.3
81.07071	7.2
83.08609	2.9
84.04494	1.7
85.02897	2.4
88.02216	8.1
91.05491	23.2
91.13696	0.7
93.07041	7.6
93.90368	0.7
95.08613	5.5
99.04459	1.9
105.07040	21.9
107.08617	4.6
109.02870	1.9
109.10121	1.0
115.05450	5.5
116.06234	2.4
117.07027	22.1
119.08594	16.9
121.10155	3.0
127.03905	2.4
128.06238	1.7
129.07039	5.4
130.07787	5.1
131.04942	5.3
131.08580	62.7
133.10110	5.2
141.07018	1.4
143.04932	1.3
143.08575	6.1
144.05708	1.0
144.09323	2.4
145.10135	98.5
146.10553	2.6
157.10109	1.6
158.10893	2.1
159.04379	1.0
159.06956	1.9
159.08110	1.6
159.11707	13.5
172.08931	0.8
172.12495	1.5
173.00826	2.8
185.13313	1.7
187.03897	8.8
187.05437	1.1
187.06136	0.8
187.07660	2.1
187.11267	5.6
187.14838	100.0
187.22542	1.1
188.09088	1.0
188.15190	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03934	1.1
55.05509	2.0
57.07071	4.1
63.30233	0.5
65.03960	0.8
67.05170	1.1
67.05503	9.6
69.03427	0.9
69.07079	4.4
71.51301	0.9
77.03947	0.6
77.30211	0.5
79.05491	6.6
81.03391	1.2
81.07062	6.2
83.08620	1.2
88.02211	2.0
91.05482	21.9
93.07051	8.4
95.04980	0.6
95.08616	4.1
96.65474	0.5
103.05463	0.8
104.06249	0.8
105.07032	23.4
106.02072	0.6
107.08577	4.4
108.03663	0.5
109.02877	0.5
115.05442	2.6
116.06213	1.4
117.07019	25.8
119.08587	17.5
121.10158	3.9
128.06190	0.5
129.07004	3.8
130.07785	5.2
131.04947	1.5
131.08572	64.2
132.08887	1.5
133.10135	4.6
143.08553	4.3
144.09337	2.4
145.10126	96.4
146.10548	1.2
157.10130	1.1
159.11696	13.4
172.12485	0.7
173.00842	0.9
185.13264	1.1
187.03932	1.9
187.11234	2.1
187.14825	100.0
188.15089	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	187.1482
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03950	1.3
54.80338	0.7
55.05516	1.7
56.96552	1.2
57.07075	5.1
60.21763	0.6
67.05508	11.0
69.03427	2.7
69.07072	4.0
69.51634	2.6
69.52055	1.6
70.98111	0.6
72.35399	0.6
72.35861	0.6
79.05501	7.0
81.03434	3.8
81.07067	5.9
83.08627	1.3
85.02927	1.8
88.02220	2.8
91.05489	24.7
93.07055	8.3
93.07658	0.9
93.73151	0.6
95.08600	4.8
97.02917	0.8
98.20794	1.3
99.04470	1.4
105.07035	21.3
107.08611	4.2
109.02902	1.0
115.05421	3.7
116.06246	1.2
117.07027	21.4
119.08588	18.1
121.10164	3.2
127.03910	0.9
127.78421	0.8
129.07022	4.2
130.07832	4.2
131.04942	3.0
131.08577	62.0
132.08900	0.8
133.10167	4.8
143.04915	0.9
143.08600	4.1
144.09372	2.8
145.10132	91.5
146.10565	2.2
157.10048	1.0
158.10921	1.1
159.07010	0.7
159.08133	1.4
159.11705	12.0
172.12433	0.8
173.00792	1.4
185.13284	1.2
187.03922	5.7
187.06125	1.3
187.07504	3.2
187.11223	2.3
187.14832	100.0
188.15178	2.1
198.71281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.08831	0.4
59.74433	0.6
62.91850	0.6
67.01074	0.5
70.67953	1.4
70.68312	0.6
91.05479	6.2
91.05959	0.7
103.05499	0.7
107.46004	0.5
115.05463	7.4
115.39852	0.4
117.05772	1.4
117.07024	5.0
118.06554	82.3
119.06920	0.8
124.97449	0.5
128.05042	0.6
132.08073	0.7
142.06538	7.8
143.07318	14.1
144.04478	1.1
144.08098	25.2
145.06476	0.6
146.06023	100.0
147.06377	1.3
154.20956	0.6
155.06050	1.4
160.07568	1.0
170.06018	8.7
188.07079	19.1
189.72108	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60487	0.4
51.63467	0.4
57.65703	0.4
70.43912	1.3
77.31961	0.4
84.04534	0.6
91.05495	4.6
103.05472	0.8
106.03537	0.4
115.05465	6.6
115.68250	0.4
117.05750	1.7
117.07018	4.6
118.06548	72.6
118.82846	0.4
119.06873	1.3
132.08122	0.8
140.04872	0.5
142.06531	6.7
143.07304	12.1
143.08429	0.7
144.04459	0.8
144.08092	25.1
145.06512	1.0
146.06018	100.0
147.06374	1.3
155.06010	0.8
160.07581	1.4
170.06026	8.2
188.07083	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	188.0919
Annotation	N-(3-Hydroxybutanoyl)-L-homoserine lactone
Peak:m/z	Relative Intensity
50.91492	0.3
55.05508	0.9
56.05039	2.1
57.03430	1.4
59.05000	2.6
59.14874	0.3
60.04519	1.2
61.02605	0.5
61.02930	9.3
62.53192	0.3
67.04245	0.3
69.03430	1.7
70.02955	2.5
70.03766	0.7
70.06580	0.4
70.69833	0.3
70.73004	0.3
70.73347	0.7
71.04993	1.8
72.04510	0.3
72.08155	0.6
73.02916	0.3
75.04475	0.7
79.86909	0.3
81.03413	0.8
82.03743	1.1
82.06583	3.1
83.04990	3.9
84.04509	100.0
85.02908	21.0
85.04837	0.7
86.03251	1.0
86.06068	0.5
87.04473	6.2
96.04495	0.5
98.03262	0.4
98.06031	0.3
100.07635	2.1
105.07048	0.4
110.06036	3.1
111.04445	1.4
112.04036	0.4
115.05513	0.4
117.07087	0.4
118.06567	0.3
126.05524	4.1
128.04340	0.4
128.07074	5.0
129.05498	1.0
131.04994	0.3
146.06070	0.5
146.08145	0.7
160.08467	0.5
170.08189	0.6
173.05652	0.3
188.06421	0.9
188.07928	0.6
188.09225	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	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
53.13743	0.3
55.05514	0.4
56.05040	2.5
56.14899	0.3
57.03439	1.3
58.06586	0.5
59.05008	2.0
60.04527	1.8
61.02930	9.0
67.05498	0.4
68.05025	0.5
69.03429	2.1
69.30074	3.0
70.02950	2.8
70.03764	1.3
71.04997	1.2
72.04512	0.9
72.08144	0.4
75.04466	0.6
81.03432	1.8
82.03764	1.2
82.06586	3.5
83.04993	4.4
84.04510	100.0
85.02909	20.2
85.04839	1.0
86.03233	0.8
86.06060	1.1
87.04471	6.2
89.68810	0.4
91.05495	0.6
96.04478	0.5
97.02937	0.5
97.04801	0.4
98.03227	0.4
98.06071	0.5
100.04816	0.5
100.07635	2.1
105.07018	0.7
110.06064	2.9
111.04465	1.6
115.05445	0.8
116.05821	0.5
118.06571	0.6
119.05042	0.4
119.08616	0.6
122.89250	0.4
124.07610	0.3
126.05534	4.4
128.04283	0.4
128.06223	0.8
128.07080	5.6
129.05508	1.0
129.06989	0.8
131.04970	0.4
133.10167	0.5
142.08696	0.8
145.06183	1.8
145.10149	0.6
146.06120	0.6
146.08154	0.7
146.10526	0.9
147.07988	0.4
160.08403	1.3
161.06015	0.4
170.08211	1.2
173.05684	1.1
174.06773	0.5
188.07860	2.2
188.09312	7.7
188.15216	1.0
189.05449	0.7
189.09212	1.2
189.16537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.27745	0.4
55.05523	1.0
56.05050	2.2
56.05281	0.6
57.03443	1.2
59.05001	2.9
60.04520	1.7
61.02648	0.7
61.02933	8.2
67.05491	0.6
67.57008	0.4
68.05033	0.5
69.03442	2.1
69.07080	0.5
70.02954	2.3
70.03762	0.9
70.06587	0.5
71.04993	1.2
71.17875	0.9
72.04498	0.5
72.08157	0.4
75.04488	0.8
81.03416	1.8
81.07072	0.4
82.03761	1.1
82.06588	3.3
83.04993	4.5
84.04510	100.0
85.02911	19.8
85.04852	0.4
86.03255	0.7
86.06065	0.8
87.04473	5.5
91.05495	0.9
96.04455	0.6
98.03193	0.7
98.06092	0.9
99.04495	0.7
100.07619	2.0
105.07050	0.7
110.06049	3.3
111.04453	1.6
115.05481	1.3
117.07036	0.7
118.06557	0.4
126.05516	4.8
128.04263	0.5
128.06227	0.7
128.07079	7.1
129.05507	1.8
132.08954	0.7
142.08624	0.6
145.06319	1.3
145.10092	0.5
146.06050	0.6
146.08101	1.2
146.10527	1.0
146.47406	0.4
147.04382	0.5
160.08441	1.4
170.08159	1.1
173.05698	0.6
188.06454	0.9
188.07877	0.9
188.09256	8.4
188.15163	1.0
189.05554	0.6
189.09280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.4
55.01858	2.3
55.05492	3.2
55.93521	2.1
56.05035	4.7
56.94311	1.4
56.96566	17.6
57.03424	2.4
58.02962	21.1
58.06602	4.9
59.05004	53.9
60.04507	3.6
60.05635	1.5
61.02913	2.4
64.75390	1.0
65.03913	1.0
67.05486	3.1
68.04741	1.0
68.05038	11.4
69.03420	4.0
69.07076	7.1
70.02934	1.2
70.06598	6.5
70.61970	2.3
70.62327	1.8
70.95865	7.8
70.98141	1.6
71.04973	2.4
72.04504	4.4
72.08160	6.8
72.93788	3.8
73.02899	2.6
73.05300	79.2
74.06071	7.0
75.04485	9.6
75.05610	1.4
79.05492	1.5
81.03386	2.9
81.07043	4.1
82.06556	2.3
83.04955	2.1
83.08628	1.4
84.04507	22.0
84.08147	17.3
84.96017	2.8
85.01115	1.9
85.02909	6.3
86.06068	44.7
86.09708	79.9
87.04466	2.4
88.96902	1.4
89.02600	1.0
90.94807	2.0
91.05465	2.4
93.07047	3.0
95.08583	4.4
97.02853	5.3
97.99168	1.5
98.06067	1.6
98.97587	19.3
99.06815	3.7
100.03963	3.9
100.07614	6.7
102.05532	2.0
104.90793	1.2
105.07008	1.7
107.04961	1.2
109.02878	1.3
110.06055	1.9
110.07183	1.3
110.09663	2.5
110.97554	3.4
111.04521	1.2
112.02167	1.9
112.11224	1.8
113.96417	1.6
114.05555	1.5
114.09143	4.2
115.03899	1.0
116.98624	6.0
118.06570	1.6
119.01833	1.5
120.02101	1.0
120.08109	3.1
120.77009	0.9
121.06549	1.2
124.07571	1.4
126.05515	1.3
128.02289	1.3
128.07062	2.9
128.10744	7.7
128.98596	2.8
129.10239	2.1
130.08635	2.0
131.00185	1.3
132.06570	32.8
132.10205	13.2
132.95798	5.0
133.06427	1.3
134.99631	2.1
140.01563	1.5
142.08615	1.8
142.12277	100.0
143.00174	1.6
143.11783	7.5
143.12691	1.1
144.01067	13.0
145.98972	2.3
146.05997	1.8
146.08020	1.5
146.91811	6.0
146.99529	2.0
147.04390	1.1
147.96890	1.3
150.96873	3.3
157.01842	1.4
158.02707	1.0
158.99597	2.9
160.07416	1.1
160.13333	11.5
161.01254	1.2
162.02052	2.6
162.96759	1.0
164.98505	2.3
165.09915	1.0
170.02727	5.1
170.08080	1.3
170.99681	1.4
171.14949	1.0
177.00731	1.1
188.00046	3.2
188.03764	40.5
188.07086	2.6
188.09172	3.7
188.10974	1.5
188.12823	11.7
189.00616	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0397
Annotation	(E)-3-(Methoxycarbonyl)pent-2-enedioate
Peak:m/z	Relative Intensity
53.90847	2.0
55.01876	56.6
55.05498	6.6
56.96558	3.2
57.03442	64.3
59.04992	8.2
60.08171	10.1
61.02921	8.2
61.82175	2.0
64.59396	2.2
68.99801	3.6
69.03431	7.9
69.07083	2.1
70.06592	11.3
71.01354	32.0
71.04995	6.9
72.08163	45.6
73.02922	25.3
75.04476	4.8
75.41965	2.3
83.01341	13.9
84.08145	51.8
85.02904	13.4
86.09691	4.8
87.00813	2.9
87.04473	48.1
89.02370	6.3
93.01868	3.5
94.02661	2.4
95.01343	11.4
98.97601	2.2
101.00891	7.2
101.02384	100.0
103.02422	2.3
103.03934	10.6
105.06998	3.0
111.00784	16.2
113.02358	9.3
115.02492	3.1
115.03931	82.8
116.07070	4.9
118.08635	5.0
119.01905	9.1
120.01987	4.8
121.01651	7.0
127.00291	4.0
127.03898	5.4
129.01845	30.2
130.08640	16.1
131.01891	2.5
133.03484	5.6
138.15822	2.0
139.00261	3.6
141.01848	6.0
143.01852	2.5
143.03400	9.0
146.99617	5.4
157.01343	79.8
159.02919	2.5
162.05511	3.9
175.02388	7.9
177.02499	2.6
185.02953	1.9
189.03935	6.7
189.16029	8.6
202.24521	2.4
203.59416	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01635	3.6
55.01880	54.4
55.05504	4.8
56.96558	3.5
57.03199	3.3
57.03442	56.0
59.04980	9.5
59.79203	2.7
60.08165	16.4
61.02944	13.7
61.03188	2.5
69.03420	9.7
70.06584	9.0
70.89966	6.6
70.98135	3.9
71.01365	32.4
71.04993	7.6
72.08160	51.2
73.02917	23.2
74.07181	2.7
75.04460	5.7
81.03447	3.4
83.01344	13.1
84.08149	54.4
84.99249	3.5
85.02898	12.3
86.09689	3.5
87.00845	4.5
87.04473	47.3
89.02375	7.2
95.01341	11.5
97.02901	4.9
98.97555	4.7
101.00947	13.4
101.01729	4.9
101.02389	100.0
101.55065	2.4
102.02422	2.6
103.03947	6.1
111.00810	14.7
113.00880	2.7
113.02381	7.8
115.03941	86.1
118.08680	4.6
119.01905	8.6
121.01709	6.0
127.00270	3.3
127.02377	2.9
127.03923	4.9
129.01833	31.8
130.08658	17.2
131.01936	5.1
131.03467	2.8
133.03488	3.9
139.00354	3.7
139.02435	3.0
141.01857	4.7
143.03418	6.7
144.99789	3.1
145.03424	2.8
145.99907	3.8
146.99518	3.7
155.01917	2.6
157.01340	95.8
159.02805	4.2
161.03006	3.3
162.05563	3.6
171.01323	3.9
175.02393	6.7
189.00661	5.3
189.02298	3.8
189.03876	6.7
189.05360	3.4
189.15947	7.1
193.33774	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	189.0546
Annotation	1-Hydroxy-2-naphthoate
Peak:m/z	Relative Intensity
53.42824	0.9
54.87004	1.2
55.01865	2.1
55.05509	1.4
67.05499	1.8
69.07061	1.9
71.51080	1.3
71.51482	1.5
79.05511	2.3
81.03399	2.2
81.07041	4.4
91.05482	17.9
93.07050	2.4
95.08612	5.2
103.05463	11.9
105.03396	2.0
105.07031	17.6
107.07880	1.0
107.08585	3.1
107.58491	1.1
115.05460	100.0
116.05724	1.2
117.07023	60.3
118.04154	1.2
118.07386	1.3
118.98291	1.0
119.04944	3.1
119.08582	9.8
121.10165	1.3
127.05439	1.8
128.06230	3.3
129.03355	3.7
129.07031	4.8
131.04906	1.7
131.08583	4.0
132.05719	1.1
133.06499	7.1
133.10094	10.3
143.04929	92.6
143.08560	2.3
144.05608	2.5
145.06493	36.9
145.10161	3.2
146.03590	1.3
147.04419	27.9
147.08073	1.7
147.11696	5.7
155.06033	13.4
156.09358	1.8
157.06468	2.6
159.08058	1.4
160.05215	1.0
161.05963	9.7
161.09608	2.1
161.13274	2.6
171.04422	31.1
171.11665	2.8
174.06767	3.5
174.10384	1.3
189.05466	28.9
189.09148	11.3
189.12711	9.1
189.16405	10.8
190.06126	1.4
191.30978	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1236
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
53.21032	0.3
56.96570	3.6
69.03436	0.6
69.07076	0.6
70.27264	1.2
70.98118	0.5
72.08153	1.2
74.06092	0.3
78.32910	0.3
84.08152	1.1
85.02931	0.4
86.09715	100.0
87.10040	0.9
97.02907	0.4
98.97598	4.5
107.05042	0.4
110.97575	0.7
112.99153	0.3
116.98628	1.2
119.01953	0.3
128.64700	0.3
128.98656	0.6
130.51006	0.3
133.06512	0.4
139.51537	0.4
146.99675	0.3
156.03281	0.3
162.05516	0.4
163.02716	0.3
186.04398	0.5
189.12480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1237
Annotation	19461-38-2
Peak:m/z	Relative Intensity
55.05503	0.3
56.36306	0.3
56.96562	1.3
57.03419	0.4
64.48042	0.3
69.03435	0.4
69.07058	0.4
70.06609	0.7
70.74660	0.9
70.95850	0.3
72.08157	0.7
75.05595	0.4
77.80676	0.3
84.08143	1.0
85.26942	0.3
86.09713	100.0
87.10048	0.7
88.48754	0.4
97.02882	0.4
98.97585	2.0
107.04983	0.8
108.94302	0.3
110.97581	0.5
111.04413	0.4
116.98631	0.7
120.08154	0.4
128.00836	0.7
132.10216	35.8
143.11807	17.1
146.97490	0.5
159.43764	0.3
162.05531	1.9
171.11349	0.4
189.05406	0.3
189.12494	1.2
190.05017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.2
67.05508	4.2
69.03430	9.0
69.07058	1.7
70.82108	3.2
79.05492	4.1
81.07041	4.0
85.04759	1.6
90.38931	1.4
91.05470	6.2
93.07031	4.6
95.04959	2.0
103.05482	2.5
105.06403	2.1
105.07042	24.8
107.08596	4.1
109.06537	1.6
115.05453	3.0
117.07022	5.3
119.08581	42.6
121.06531	2.7
121.10130	2.2
128.06215	2.4
129.06972	1.8
131.08620	12.1
133.06479	3.6
133.10129	14.1
133.20718	1.5
135.08063	6.2
141.06970	2.4
143.08566	4.2
145.06499	6.7
145.10143	3.0
146.10902	2.0
147.08054	22.0
147.11702	17.6
154.83554	1.6
156.09338	15.6
159.08061	20.8
160.08804	8.0
161.09602	10.7
161.13264	25.9
171.11720	19.7
174.10406	38.8
189.12756	100.0
209.30074	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10443	0.5
53.03936	1.0
54.92462	0.5
55.01860	0.5
55.05514	5.0
57.07058	0.6
59.04985	0.8
65.03925	0.9
67.05494	3.3
69.03435	8.3
69.07069	3.0
71.50972	0.8
79.05493	3.9
81.07056	4.4
82.44745	0.5
83.05007	2.3
83.08588	0.6
84.04473	1.4
85.02854	0.4
85.04823	1.3
86.09663	0.5
91.05483	8.0
93.07041	3.6
95.04958	2.0
102.61191	0.5
103.05441	0.8
103.13441	0.6
105.07034	19.7
107.04948	0.6
107.08586	4.9
109.06502	1.2
115.05429	1.0
117.07023	3.6
117.16687	0.5
119.04936	1.5
119.08588	42.3
121.06522	2.6
121.10145	2.4
128.06197	1.6
129.06976	2.2
129.07837	0.5
130.07745	1.2
131.08574	10.4
132.05611	0.7
132.09055	0.5
133.06503	4.9
133.10133	17.2
135.08058	7.0
141.07013	3.0
142.07811	0.9
143.08575	5.7
144.09325	0.8
145.06491	4.5
145.10138	3.6
146.07246	0.8
146.10880	1.9
147.08051	20.5
147.09222	1.1
147.11688	18.7
149.09673	0.8
155.08514	1.1
156.09360	17.3
159.08063	18.0
159.11673	2.9
160.08841	7.6
161.09630	8.7
161.13260	24.4
170.99825	0.7
171.11691	19.5
172.08797	0.8
173.09593	0.8
174.10406	37.6
180.89600	0.5
187.11192	1.3
189.12746	100.0
190.13086	2.0
209.30969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.05501	4.9
67.05179	1.5
67.05506	17.5
69.03403	1.3
69.07057	7.5
72.93932	1.1
74.29089	1.1
79.05022	1.5
79.05497	28.8
81.03416	2.0
81.07065	31.3
83.08604	2.6
91.05484	47.8
93.07049	29.2
95.04959	1.9
95.08611	37.6
103.05443	2.2
105.07038	44.3
107.08606	33.1
109.10178	9.0
115.05455	2.1
116.60369	1.2
117.07040	4.4
119.08585	40.1
121.10152	29.2
128.06229	2.0
129.06969	1.7
131.08551	6.4
133.06474	3.5
133.10133	47.1
135.11699	1.9
143.04924	1.3
143.08583	3.9
145.06480	1.9
145.10123	5.2
147.08046	3.5
147.11697	26.4
149.02322	1.4
156.09322	3.0
161.05875	1.9
161.09575	1.6
161.13269	10.2
162.05495	1.7
171.11678	4.1
174.10570	1.5
187.14787	1.4
189.05371	3.0
189.09081	11.6
189.12662	10.3
189.16396	100.0
190.16763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03932	2.5
53.53355	1.4
55.05519	11.4
55.48445	1.6
57.07063	3.2
57.99843	1.6
62.29627	1.3
67.05495	6.7
69.07074	9.8
72.14532	1.5
79.05495	10.5
81.03420	2.5
81.07059	42.9
83.08629	3.6
91.05491	17.5
93.07047	11.3
95.04923	2.4
95.08614	29.4
103.05449	2.5
105.07032	59.9
107.08601	14.4
109.10163	6.7
115.05502	4.2
117.07018	6.0
119.08588	72.2
121.02857	1.5
121.10157	14.2
128.06154	2.3
129.07008	1.9
131.08557	10.5
133.06487	2.9
133.10135	83.1
138.17220	1.6
143.08566	4.9
145.06497	2.9
145.10100	15.9
146.10930	3.6
147.08081	4.7
147.11699	49.0
149.02362	3.3
156.09363	5.3
159.11687	4.5
160.12483	7.6
161.06000	3.9
161.09612	2.2
161.13254	12.3
169.34019	1.4
171.11780	4.3
174.10474	2.4
189.05428	6.0
189.09122	6.2
189.12640	12.6
189.16393	100.0
190.16644	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	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05497	4.5
60.21181	1.9
67.05514	18.2
69.03453	2.0
69.07072	10.6
71.74662	1.6
79.05502	27.0
81.07059	31.6
91.05492	43.5
93.07043	25.5
95.05018	2.9
95.08612	36.0
98.20753	5.4
105.07043	45.9
107.08598	36.6
109.10177	9.7
112.49496	1.9
117.07031	3.7
119.07813	2.8
119.08596	39.8
121.10156	32.2
131.08554	5.8
133.06506	5.3
133.10143	54.4
143.08591	3.8
145.10106	5.1
147.08054	3.6
147.11707	30.7
149.02359	3.3
156.09306	1.7
161.05923	2.5
161.09653	2.7
161.13293	11.6
171.11711	3.8
174.10327	2.3
189.05431	5.7
189.09106	8.3
189.12578	9.0
189.14061	3.4
189.16400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.035
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.7
57.07045	0.4
58.99858	0.9
69.03426	0.4
69.27817	2.9
69.65554	0.3
81.03418	0.5
81.55788	0.3
85.01412	0.6
97.01363	0.5
97.02926	0.4
98.97591	9.5
101.00855	1.0
102.00963	1.0
103.02438	0.4
104.02550	0.4
111.02901	0.5
112.99129	0.5
115.02419	0.6
116.98624	4.7
119.01946	2.1
120.02016	2.3
129.03983	1.2
131.00159	1.4
134.82561	0.3
134.99652	1.1
137.02934	0.4
138.03072	0.4
139.02382	1.6
141.03941	0.5
144.01994	0.5
144.05046	0.5
145.03453	1.3
146.84810	0.3
147.05080	0.4
148.99632	0.3
149.01100	2.6
157.03474	3.7
159.05057	0.5
162.03093	1.1
167.01906	16.2
168.02043	0.7
168.05104	0.4
172.02829	0.6
185.02965	100.0
186.03125	3.2
187.03360	0.5
190.03682	1.3
190.08743	0.5
203.04015	11.5
204.04265	0.6
208.02734	0.4
208.04596	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	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
65.89828	0.3
70.43001	0.7
70.43364	0.3
89.03917	1.4
92.78974	0.2
97.51601	0.2
116.04982	3.5
144.04445	4.6
144.05504	0.4
162.05513	100.0
163.05829	1.5
170.85194	0.2
190.05008	34.1
191.05341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99078	0.6
53.60303	0.4
55.05503	0.9
57.07081	25.4
59.99110	5.2
62.99081	0.8
65.03956	0.6
69.82944	2.5
71.59186	0.4
75.29362	0.5
78.00160	40.9
79.05485	0.8
81.07076	0.7
83.08629	0.6
84.08155	0.7
86.09718	9.2
88.02228	0.5
91.05471	1.6
92.01698	1.3
93.07053	1.0
95.08591	0.7
96.08937	0.6
102.04691	2.2
103.05482	4.0
105.07021	1.3
106.07356	0.8
107.08613	2.2
109.10156	0.9
115.05482	0.5
117.03400	0.6
117.07028	0.8
118.04154	1.0
118.07338	1.0
119.04939	1.5
119.08591	0.8
120.08922	0.9
121.10169	1.1
130.04141	0.9
131.04939	4.2
132.05710	1.0
133.06516	0.5
133.10158	0.8
134.06363	48.0
135.08122	1.2
135.11659	0.9
143.04976	0.6
145.10133	0.6
146.06866	1.4
147.04431	8.4
147.11729	0.7
148.05174	2.1
148.07903	3.5
148.11995	0.8
149.02335	2.0
159.04462	0.7
160.05217	1.7
161.05974	0.6
162.05486	1.6
163.07550	3.1
173.13278	1.0
175.03900	4.6
176.04713	1.1
190.06302	13.9
190.12624	100.0
191.06929	3.6
191.10745	0.7
191.12872	1.3
191.14333	3.2
191.17924	0.8
204.48720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0703
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03934	3.4
55.01859	2.0
55.05504	3.3
57.03440	1.3
57.07062	1.9
59.29996	1.0
64.66875	1.0
65.03938	1.1
66.04717	3.0
67.05502	2.2
67.47443	1.0
68.99769	1.5
69.03420	3.2
69.07047	3.0
70.56522	3.5
71.04977	1.6
77.03902	1.0
79.05510	7.8
81.03426	1.0
81.07057	4.6
82.61361	0.9
83.04977	2.6
83.08593	1.1
85.06529	1.2
85.47052	0.9
87.12592	1.0
89.03907	1.2
90.04694	4.4
91.05484	17.9
92.06261	1.6
93.07034	7.3
95.04960	4.9
95.08601	6.0
97.06490	1.3
102.04699	7.6
102.05272	1.4
103.05473	100.0
104.05791	1.5
105.03392	10.9
105.07038	21.1
107.04965	9.9
107.08589	12.0
108.08167	1.4
109.02861	3.0
109.06499	1.5
109.10141	3.6
115.05466	8.7
117.07028	6.2
118.04165	31.0
118.06520	1.1
119.04972	11.2
119.08579	8.1
120.05716	4.3
120.08065	1.0
121.06494	4.2
121.10126	7.0
123.08064	1.8
123.11705	1.5
129.07024	1.5
130.04134	9.6
131.04939	69.1
131.08578	13.5
132.05785	6.3
133.02859	21.1
133.06522	8.1
133.10156	15.8
135.08047	12.9
135.11685	3.8
143.08546	3.4
145.06519	4.8
145.10133	9.1
146.03656	8.6
147.04407	5.2
147.11682	2.8
148.05196	57.9
149.05937	2.7
149.09641	1.6
149.13228	4.4
158.10939	3.9
159.04362	1.9
160.05101	3.0
161.05995	2.2
162.06734	1.3
163.07547	82.7
163.11159	2.2
163.14856	2.8
164.07819	1.6
173.05978	7.2
173.13268	13.0
176.04718	11.2
191.03354	3.0
191.07014	59.0
191.10658	4.5
191.14301	29.6
191.17963	2.3
197.85626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03940	1.1
55.01866	1.0
55.05517	3.0
57.07063	1.0
67.05505	2.7
69.03432	4.7
69.07069	4.7
69.18448	5.1
75.29016	0.6
76.48932	0.5
79.05495	5.3
81.07059	3.0
83.01317	0.7
83.04993	3.2
83.08617	1.4
84.36416	0.6
85.06552	0.9
91.05483	8.7
93.07049	6.7
95.04941	1.0
95.08611	6.0
97.10144	0.8
98.21552	1.2
101.25497	0.6
102.04695	1.1
103.05467	8.9
105.03410	0.7
105.07035	10.2
107.04961	2.6
107.08593	12.7
109.02855	1.0
109.06527	1.2
109.10157	3.1
111.04448	5.7
115.05450	2.1
115.36122	0.6
117.07025	3.9
118.04195	1.9
119.04929	1.1
119.06096	0.6
119.08581	4.4
120.05688	0.9
121.06520	8.7
121.10136	7.8
121.29768	0.6
122.07260	2.4
123.08102	4.0
123.11754	0.9
128.06160	1.2
129.06996	1.6
130.04115	1.5
130.07808	3.2
131.04930	6.2
131.08577	3.7
133.02870	1.7
133.06479	1.5
133.07466	0.6
133.10121	4.4
135.08057	56.1
135.11685	7.1
136.08388	1.1
137.05933	1.2
143.08560	1.6
145.06502	1.3
145.10130	13.5
147.04407	0.8
147.08040	1.9
147.11691	2.3
148.05205	4.2
148.08778	1.0
149.05972	1.6
149.09624	3.6
149.13246	2.6
151.07549	1.5
155.08580	2.9
158.07292	7.4
158.10928	1.6
161.06010	5.1
161.09589	1.9
162.06767	1.2
163.07556	8.0
163.11191	18.4
173.06009	1.1
173.09631	18.5
173.13219	3.6
175.07555	0.9
176.04805	3.1
176.08330	18.6
191.07034	7.2
191.10675	100.0
191.14278	17.8
191.17912	5.2
192.10966	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
52.70526	0.4
54.52021	0.5
55.05516	2.1
57.07075	1.3
59.32088	0.5
59.79404	0.3
65.03930	0.7
67.05499	2.2
69.03419	1.4
69.07067	2.7
70.01137	1.9
75.57593	0.4
79.05499	3.5
81.03432	0.8
81.07047	1.8
83.01351	4.1
83.04986	2.6
83.08617	0.6
91.05488	5.0
93.07043	5.1
94.06541	0.4
95.01295	0.5
95.04958	0.8
95.08605	4.7
103.05457	2.0
105.07046	7.9
106.06555	0.8
107.04948	0.9
107.08598	6.1
108.90466	0.6
109.02895	3.4
109.06500	0.7
109.10188	2.9
111.04453	8.8
115.05439	0.9
117.07014	2.9
118.04159	0.5
118.06513	1.6
119.08602	2.5
120.08143	1.0
121.06502	4.2
121.10161	5.5
122.07285	1.3
123.08060	2.9
129.06960	1.2
130.07797	1.7
131.04997	1.0
131.08603	2.2
133.07594	0.5
133.10124	2.0
135.04469	0.6
135.08064	20.8
135.11699	4.9
137.05937	0.6
145.06482	1.0
145.10130	10.1
146.06030	1.7
147.04286	0.5
147.08012	0.6
147.11707	1.2
148.05174	0.9
148.07579	0.9
148.08789	0.7
148.12331	0.5
149.05966	0.6
149.09605	2.0
149.13287	1.2
150.02777	0.6
151.07556	1.8
155.08571	1.7
158.07292	3.5
158.10883	0.7
161.05994	7.2
162.06758	0.6
163.07550	1.1
163.11192	16.7
163.14740	0.5
164.07089	0.5
164.11488	0.5
173.05788	0.5
173.09627	12.5
173.13281	1.3
174.05469	0.5
174.08699	0.4
175.07535	2.0
176.08337	20.9
191.07094	2.3
191.10680	100.0
191.14247	7.7
191.17943	4.8
192.06546	2.0
192.10983	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03943	2.2
55.01872	2.3
55.05507	5.6
56.77874	0.7
57.03436	0.9
57.07063	3.2
65.03931	1.1
67.05505	5.3
69.03094	1.0
69.03435	15.0
69.07076	8.1
70.69341	1.1
70.69669	1.7
79.05506	6.8
79.68285	0.7
80.04982	1.0
81.03424	1.1
81.05000	0.8
81.07068	5.0
81.40974	0.9
83.01350	4.0
83.04984	14.2
83.08613	2.4
91.05492	12.7
93.07046	11.0
95.04949	1.8
95.08611	7.4
97.06533	2.3
102.04692	1.1
103.05472	6.8
105.03350	1.0
105.07044	16.3
106.06539	1.2
107.04941	3.5
107.08601	26.2
109.02888	6.0
109.06522	3.3
109.10181	5.3
111.04446	9.6
111.08096	1.0
115.05426	2.5
117.05785	1.0
117.07001	4.5
118.04170	2.5
118.06590	4.1
119.04919	1.2
119.06066	0.9
119.08585	9.5
120.08105	2.9
121.06512	9.7
121.10162	15.8
122.07253	1.0
123.08050	6.7
123.11700	1.1
129.07004	2.1
130.04167	1.4
130.06508	0.8
130.07770	3.6
131.04922	2.7
131.08574	12.7
133.06485	1.3
133.10136	13.6
134.05975	1.0
134.09669	0.8
135.04449	1.1
135.08067	38.6
135.11685	6.8
135.41246	0.7
136.07600	1.2
143.08589	4.5
145.06488	1.9
145.10130	15.7
146.06041	2.7
147.04463	1.4
147.08052	2.4
147.11691	5.9
148.05234	1.9
148.07643	1.4
148.08847	2.4
149.09593	6.6
149.13190	6.0
151.07556	1.6
155.08519	1.0
158.07283	4.4
158.10948	6.5
161.05980	7.1
161.09604	6.8
163.07568	3.9
163.11192	21.1
163.12553	1.4
163.14813	1.4
164.07066	2.1
173.09634	15.0
173.13274	16.3
176.04681	2.8
176.08330	19.9
176.11900	1.7
191.03386	1.7
191.06958	8.6
191.10678	100.0
191.14305	83.6
191.17862	4.7
192.02832	1.1
192.06575	4.0
192.10925	2.7
192.14729	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1068
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03949	0.9
55.05506	2.3
57.07061	0.7
65.03925	0.9
67.05494	3.0
69.03451	3.8
69.07051	2.8
70.88879	1.5
70.89220	0.9
71.05000	1.1
79.05483	5.5
80.05021	0.8
81.03400	0.9
81.07063	3.9
83.01340	2.8
83.04983	3.5
83.08609	0.9
91.05479	5.4
93.07050	6.2
95.04972	1.8
95.08604	3.9
97.02830	0.6
97.10192	0.7
102.04676	1.4
103.05479	3.4
105.03423	0.8
105.07035	8.2
106.06572	0.7
107.04978	2.4
107.08605	11.0
108.04517	0.7
109.02879	3.3
109.06561	1.1
109.10178	3.4
111.04455	8.8
112.22714	0.7
115.05456	1.4
117.07020	3.6
117.84782	0.6
118.04141	2.1
118.06534	2.4
119.04928	0.8
119.06112	0.8
119.08600	4.7
120.08137	1.3
121.06512	6.2
121.10155	7.3
122.07280	1.9
123.08068	4.3
123.11732	0.9
129.06995	2.3
130.04132	1.6
130.07791	2.3
131.04939	3.0
131.08585	3.7
133.06534	1.0
133.10147	5.1
134.05957	0.7
135.08063	27.3
135.11688	4.9
136.08484	0.9
143.08531	0.8
145.06537	1.3
145.10144	12.5
146.06036	1.6
147.08075	1.4
147.11687	2.4
148.05205	1.1
149.05948	1.4
149.09625	3.1
149.13232	1.9
151.07520	1.2
155.08551	1.9
158.07248	5.0
158.10928	1.4
161.06035	5.4
161.09656	0.9
162.06818	0.7
163.07555	2.9
163.09877	1.2
163.11194	18.0
164.07104	1.5
173.09625	16.7
173.13257	4.0
174.05417	0.7
175.07571	1.6
176.04692	2.2
176.08334	20.5
191.03374	2.1
191.06996	4.3
191.10681	100.0
191.14296	18.1
191.17973	4.0
192.06580	2.4
192.11147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.7
55.01863	2.1
55.05509	5.5
57.07057	2.0
57.80283	0.9
59.04987	1.2
65.03932	1.5
67.05491	4.4
69.03431	12.8
69.07079	8.6
69.86400	1.0
70.75769	2.3
71.04973	2.9
79.05492	9.4
81.03409	1.1
81.07036	4.3
83.04991	9.4
83.08611	2.6
84.08139	1.1
85.06548	2.0
90.04649	1.1
91.05489	19.4
93.07045	12.8
95.04949	2.9
95.08610	8.3
97.06545	6.8
103.05469	12.4
105.06307	1.5
105.07033	36.7
107.04953	3.6
107.08597	38.3
109.06532	5.0
109.10158	3.2
111.04453	1.3
111.08039	1.6
115.05450	3.4
116.06252	1.6
117.07041	6.1
118.04175	3.3
118.07801	1.7
119.08584	15.9
120.08092	1.6
121.02840	1.2
121.06490	9.3
121.10160	18.1
123.08066	6.5
123.11718	1.6
129.06995	2.8
130.04152	1.7
130.07787	2.0
131.04926	12.2
131.08575	34.8
133.02853	3.5
133.06471	2.8
133.10133	96.0
135.08064	15.6
135.11679	4.5
143.08598	6.5
144.09415	2.1
145.06468	4.0
145.10135	16.7
146.06027	4.7
147.04367	1.2
147.11711	12.2
148.05211	5.9
148.08786	1.2
149.05939	1.2
149.09621	6.9
149.13269	16.5
158.10925	12.8
160.05081	8.1
161.06012	1.5
161.09619	3.7
163.03812	1.5
163.07539	9.0
163.11197	3.3
163.14810	3.4
171.11667	1.2
173.05916	2.3
173.09842	1.3
173.13283	46.2
176.04657	3.1
176.08336	1.3
176.11909	1.1
191.03403	3.4
191.05357	2.2
191.06978	13.9
191.10747	8.9
191.14313	100.0
192.06477	1.6
192.14627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.01865	1.6
55.05275	0.8
55.05511	5.7
57.03442	1.0
57.07076	2.0
59.04996	1.4
62.41536	0.7
65.03927	1.5
66.04723	1.7
67.05522	4.5
69.03094	1.1
69.03438	13.2
69.07076	6.0
71.04987	2.3
71.35062	0.9
71.35412	0.8
77.03894	0.8
79.05505	9.3
81.07067	6.7
83.04991	10.4
83.08608	2.3
85.06533	1.7
90.04691	1.4
91.05487	18.2
92.06218	1.1
93.07051	12.4
95.04950	3.1
95.08609	6.8
97.06543	5.7
98.97574	1.4
102.04713	2.8
103.05474	29.0
105.03397	2.4
105.04483	1.0
105.07040	25.5
107.04969	4.5
107.08605	41.2
109.02885	2.6
109.06526	3.0
109.10171	5.6
110.97530	0.9
115.05474	3.8
117.07032	5.1
118.04176	10.8
118.06549	1.8
119.04970	3.1
119.08585	13.5
120.05704	0.9
120.08125	1.5
121.06519	7.0
121.09328	1.4
121.10159	18.5
123.04457	0.8
123.08073	4.9
123.11688	2.1
128.06227	1.1
129.07021	2.2
130.04150	4.0
130.07800	1.3
131.04948	23.5
131.08583	23.6
132.05675	2.3
133.02895	6.5
133.06485	2.9
133.10141	58.7
135.08064	15.1
135.11699	5.7
137.09625	0.8
143.08592	7.0
144.09355	2.2
145.06497	3.2
145.10144	13.1
146.03647	2.0
146.06049	1.5
147.04428	1.2
147.08023	1.4
147.11685	8.0
148.05193	15.7
149.02322	2.5
149.09637	4.9
149.13257	10.0
158.10910	10.0
160.05127	4.2
161.09641	4.0
161.13257	1.0
163.07556	23.3
163.11174	1.3
163.14825	2.4
171.11687	1.0
173.05989	2.7
173.13283	32.7
176.04732	6.2
176.11984	2.2
191.03415	1.7
191.07027	20.1
191.10805	3.7
191.14323	100.0
191.17905	2.2
192.06390	1.2
192.07948	0.8
192.14539	0.8
210.51471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00671	0.8
50.98526	0.8
53.03938	1.0
55.01852	1.6
55.05510	4.2
57.03447	1.0
57.07054	2.6
67.05503	4.2
69.03089	0.9
69.03429	11.0
69.07072	7.2
71.04980	2.4
78.83433	0.9
79.05489	9.6
80.05024	0.9
81.07059	5.1
83.04977	6.8
83.08614	2.4
85.06523	1.4
91.05482	18.9
93.07037	12.1
95.04962	2.8
95.08609	8.4
97.06537	8.5
102.04726	0.9
103.05466	10.1
105.03310	1.1
105.07029	31.3
107.04915	2.0
107.08598	39.9
109.02888	1.7
109.06487	2.9
109.10161	3.8
111.08053	1.4
115.05439	3.2
117.07011	4.4
118.04141	2.5
118.07778	1.3
119.08582	14.0
121.06498	4.7
121.10152	18.3
123.08086	7.0
123.11698	1.6
129.07002	3.4
130.04161	2.1
130.07800	2.0
131.04927	9.6
131.08563	34.3
133.02824	1.8
133.10132	98.9
134.10452	1.3
135.07011	1.1
135.08037	13.6
135.11664	4.6
143.08563	8.7
144.09343	3.5
145.06496	2.6
145.10123	13.6
146.05992	3.3
147.04375	1.2
147.07980	1.6
147.11691	10.1
148.05185	5.7
148.08893	1.2
149.09616	6.8
149.13258	13.7
156.40598	0.9
158.10918	10.8
159.04471	1.4
160.05070	6.4
161.05994	1.8
161.09628	2.6
163.03925	0.9
163.06209	1.0
163.07545	7.7
163.11179	3.8
163.14804	2.4
171.11551	0.8
173.06061	1.2
173.13268	46.1
174.13644	1.4
176.04649	3.4
176.08328	1.3
176.11998	1.1
181.00603	0.8
191.03398	1.5
191.06967	10.3
191.10696	6.0
191.14310	100.0
192.06520	2.5
192.14503	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68645	0.8
53.03938	1.5
53.13931	0.9
55.01862	1.4
55.05510	6.1
57.03444	1.7
57.07042	1.3
65.03940	2.1
67.05505	7.0
69.03082	1.5
69.03430	17.5
69.07065	5.9
70.79751	2.8
71.04978	1.3
79.05500	15.0
81.03413	1.0
81.07057	12.2
82.98151	1.0
83.04987	7.3
83.08614	2.2
85.06528	1.3
88.53651	1.0
91.05482	16.9
93.07033	9.6
95.04980	2.6
95.08592	6.5
97.06536	1.0
103.05454	6.3
105.07040	17.2
107.04939	8.6
107.08595	32.1
109.06535	3.2
109.10160	10.6
115.05447	2.0
117.07007	2.6
118.04121	1.0
119.08566	10.0
121.06509	4.8
121.09331	1.8
121.10150	23.6
122.07319	2.5
123.08057	4.3
129.07036	1.6
130.04114	1.5
131.04930	3.1
131.08577	13.5
133.10133	100.0
134.10477	1.1
135.08076	9.4
135.11676	5.9
137.09621	15.6
143.08551	5.4
144.09370	1.4
145.10129	7.9
147.11716	5.1
148.05179	2.9
149.09608	5.0
149.13252	14.2
158.10893	6.3
159.19780	1.0
161.09549	1.4
163.07506	3.5
163.14847	3.9
173.13280	26.0
191.07074	4.7
191.14311	44.8
192.14670	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03946	2.5
55.01866	2.1
55.05507	6.6
57.03423	2.2
57.07072	2.9
59.04996	1.8
63.54282	1.1
65.03962	1.1
67.05508	10.0
69.03142	1.2
69.03432	12.3
69.07069	13.2
71.04980	2.8
71.50571	1.7
77.30222	1.0
79.05499	15.1
81.03438	1.5
81.07063	12.9
83.05000	8.6
83.08609	3.2
85.06549	2.5
90.94839	1.5
91.05489	26.1
92.48245	1.0
93.07045	22.4
95.04977	9.6
95.08611	17.1
97.06531	9.6
98.39108	1.1
102.04664	1.7
103.05457	8.3
105.07038	42.1
106.06568	2.3
107.04958	4.6
107.08598	47.8
108.04502	1.3
109.02908	2.8
109.06519	9.3
109.10199	9.4
111.08043	2.6
115.05467	2.8
117.07010	10.5
118.04195	2.0
118.06573	1.2
119.04932	1.5
119.08586	24.2
120.08118	2.8
121.06515	11.5
121.10146	33.6
123.08060	8.0
123.11682	3.2
129.07014	6.0
130.07780	2.6
131.04945	8.3
131.05791	1.5
131.08575	56.8
133.02866	1.3
133.06485	3.4
133.10143	67.5
135.08067	20.7
135.11690	7.4
143.08568	11.7
144.09341	5.1
145.06451	2.6
145.10127	27.9
146.06021	10.0
147.04485	1.4
147.08090	2.0
147.11685	20.5
148.05215	3.8
148.08772	3.1
149.02379	3.0
149.05911	1.2
149.09636	39.0
149.13269	16.7
150.10204	1.4
156.06306	1.2
156.09267	1.4
158.10915	18.3
159.04410	2.2
160.05070	33.4
161.09683	1.8
161.13266	2.8
163.03900	1.3
163.07610	6.7
163.11131	3.2
163.14828	8.1
171.11749	1.9
173.05945	2.2
173.09628	1.9
173.13275	68.9
176.04652	2.0
176.12004	2.1
191.03362	2.6
191.05357	2.0
191.06970	10.1
191.10690	5.1
191.14313	100.0
192.06261	2.0
192.07896	5.3
192.14627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.5
55.05522	5.2
57.03421	2.1
59.04994	2.1
65.03929	1.4
67.05506	6.7
69.03431	5.4
69.07070	8.1
69.75712	3.4
69.76125	3.3
71.04984	2.9
79.05489	10.2
81.07049	10.4
83.04971	4.5
83.08604	4.0
85.04884	1.1
85.06539	3.7
90.04707	1.0
91.05486	19.8
93.07047	13.9
95.04956	5.1
95.08607	11.1
97.06535	9.8
103.05473	17.8
105.03382	2.9
105.07030	41.0
107.04922	3.1
107.08594	26.3
109.06522	6.7
109.10146	9.3
111.08094	1.4
115.05438	4.6
116.06254	1.3
117.07013	9.4
117.80666	1.0
118.04183	6.6
118.07784	1.2
119.04942	1.2
119.08590	14.1
121.06516	5.4
121.10162	17.3
123.08061	4.8
128.08012	1.1
129.07011	2.7
130.04182	2.0
130.07809	1.7
131.04922	14.3
131.08568	42.3
133.02867	3.9
133.06485	3.1
133.10132	100.0
134.10452	1.2
135.08057	17.0
135.11681	4.6
143.08554	7.1
144.09334	2.3
145.06468	2.1
145.10127	18.7
146.03601	1.3
147.11707	12.1
148.05215	13.0
149.09616	8.5
149.13245	9.1
158.10927	10.4
161.09605	1.9
161.13342	1.3
163.07558	16.4
163.11253	2.1
163.14806	3.1
171.11707	1.5
173.05986	2.6
173.09621	1.9
173.13266	43.7
176.04694	4.3
191.07014	15.7
191.08604	1.7
191.10675	5.1
191.14311	52.0
191.17889	1.8
208.83372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03936	1.7
55.05520	4.5
57.03428	1.6
57.07055	1.0
67.05502	4.8
69.03434	13.8
69.07076	5.8
69.45161	6.5
79.05499	9.3
81.07057	10.7
83.04985	3.4
85.06542	1.0
86.52399	0.7
91.05490	7.4
93.07046	8.8
95.04991	1.3
95.08601	4.4
97.06524	1.0
100.62666	0.7
103.05449	1.3
105.07036	15.1
107.04961	4.8
107.07876	1.7
107.08598	26.0
109.06493	1.6
109.10163	8.8
115.05461	1.8
117.07021	1.6
118.07812	1.3
119.08597	5.1
121.06507	2.5
121.09332	1.4
121.10151	18.3
122.07262	1.8
123.08066	2.1
127.45667	0.8
131.08572	7.9
133.10139	100.0
135.08058	4.4
135.11719	2.9
136.08910	0.8
137.09618	12.4
143.08572	2.8
144.09436	1.0
145.10117	5.1
147.11664	3.5
149.09650	1.7
149.13277	13.4
158.10939	4.7
163.14839	2.7
173.13271	15.1
191.14316	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05513	5.0
57.03451	1.2
57.07082	1.2
66.77320	1.0
67.05505	5.1
67.05802	0.9
67.17313	0.8
67.41596	0.9
69.03434	22.3
69.07073	4.8
70.03685	0.9
70.54488	3.1
71.04996	1.0
79.05122	1.0
79.05499	9.5
81.07058	11.2
83.04963	4.0
83.08627	1.6
87.58545	1.0
91.05486	9.6
93.07053	8.7
94.77544	0.9
95.05001	1.5
95.08585	4.9
97.06527	1.9
103.05475	2.4
105.07040	16.6
107.04981	5.5
107.08603	29.9
109.06511	2.3
109.10170	9.2
115.05495	1.4
117.06956	2.2
118.07855	1.4
119.06061	1.1
119.08573	7.3
121.06474	2.7
121.10158	22.5
122.07291	2.7
123.08057	2.9
129.07036	1.8
131.08592	12.0
133.10139	100.0
135.08058	6.2
135.11696	3.6
137.09627	14.9
143.08557	4.8
145.10138	8.5
147.11658	4.7
149.09637	4.5
149.13258	11.4
158.10895	9.1
161.09589	0.9
163.07478	1.1
163.14827	4.1
169.26620	0.9
173.13272	28.2
191.07127	1.6
191.14317	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.02380	2.2
53.03930	6.6
54.71751	1.7
55.01862	2.5
55.05523	13.2
57.03441	2.6
57.07059	2.2
59.05029	1.8
65.03943	3.2
67.05501	9.4
69.03089	3.0
69.03432	42.8
69.07076	9.7
69.47187	12.2
71.05006	1.9
77.03945	1.9
79.05497	63.6
81.03471	1.6
81.06591	3.4
81.07063	51.6
83.04979	17.7
83.08598	3.5
85.06542	2.6
91.05487	26.3
93.07042	25.0
95.04967	5.2
95.08655	8.9
97.06516	4.7
103.05486	17.2
103.32008	1.7
104.49065	1.9
105.07040	23.6
107.04958	33.2
107.08599	77.2
109.06514	7.7
109.10146	7.4
115.05418	1.8
116.06238	1.7
117.06990	5.5
118.04164	4.6
119.06049	1.9
119.08617	11.3
121.06493	12.1
121.10149	22.5
123.08048	3.6
129.06987	4.4
131.04916	10.6
131.08592	16.6
133.02884	2.1
133.06436	1.7
133.10138	68.6
135.08054	17.6
135.11703	5.7
137.09613	17.2
143.08545	6.1
144.09314	2.2
145.10118	6.2
147.11705	9.1
147.12680	1.6
148.05173	7.7
149.09668	9.3
149.13255	17.3
158.10901	11.7
161.09637	4.1
163.07545	13.9
163.14780	4.8
173.13300	26.2
176.04752	3.0
187.53479	1.6
191.07034	11.1
191.14314	100.0
192.14732	2.3
192.89041	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95763	0.6
53.03918	1.4
55.01862	1.2
55.05508	3.8
57.03428	0.8
57.07064	2.1
57.43905	0.6
59.04985	0.7
65.03934	1.0
66.80061	0.6
67.05508	4.1
69.03087	1.0
69.03431	15.3
69.06733	0.6
69.07069	7.0
70.75401	1.2
71.04979	0.9
74.56216	0.6
79.05494	6.2
81.07051	3.7
83.01344	0.9
83.04980	15.7
83.08595	2.3
85.06538	1.3
91.05475	8.4
93.07040	7.3
94.06546	0.7
95.04964	1.3
95.08617	5.1
97.06522	2.4
99.89080	0.6
102.04634	0.8
103.05460	3.4
105.07038	10.1
106.06552	0.7
107.04951	1.9
107.08596	22.7
107.48846	0.5
109.02851	2.4
109.06502	2.4
109.10142	2.7
110.63303	0.6
111.04437	3.9
114.49312	0.6
115.05421	1.7
117.07020	2.2
118.04141	1.7
118.06516	1.6
119.04922	0.6
119.08585	7.7
121.06503	7.6
121.09324	1.2
121.10142	14.4
121.10938	0.6
123.08040	3.8
123.11696	1.1
129.06984	1.6
130.04192	1.4
130.07767	1.5
131.04922	2.3
131.08566	10.9
133.06471	1.3
133.10124	11.1
134.05997	1.0
135.08054	23.0
135.11717	4.7
136.08826	1.4
143.08597	4.1
143.09537	0.6
144.09335	1.4
145.06447	0.8
145.10135	8.0
146.06023	0.9
147.04414	1.5
147.08028	0.9
147.11688	6.1
148.05220	1.1
148.07623	0.9
148.08766	1.2
149.06027	0.8
149.09625	5.0
149.13263	5.0
158.07253	1.1
158.10913	5.9
161.05980	2.5
161.09590	5.0
163.07506	2.3
163.11154	7.4
163.14799	1.5
164.07053	0.8
173.05920	0.7
173.09587	4.9
173.13271	15.2
176.04668	1.9
176.08301	6.9
176.11967	2.1
191.03383	0.7
191.06944	5.7
191.10666	34.3
191.14302	100.0
191.17943	2.7
192.06537	2.2
192.11201	0.7
192.14633	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03942	1.7
55.01866	1.2
55.05517	10.2
57.07070	3.6
62.46495	0.8
65.03934	2.7
67.05196	0.9
67.05510	6.6
69.03435	17.0
69.07073	14.4
71.04997	2.2
71.08634	1.1
79.05499	12.3
80.05032	0.9
81.03422	1.1
81.07067	7.0
83.04984	16.8
83.08222	1.0
83.08626	12.0
85.06504	1.3
91.05482	18.6
91.06025	1.6
93.06485	1.2
93.07047	18.1
95.04969	5.2
95.08612	12.0
97.06520	3.1
97.10155	2.0
98.21541	2.0
102.04699	1.7
103.05484	9.7
105.04504	1.0
105.07036	17.1
106.06571	1.0
107.04954	4.8
107.08598	45.3
108.90482	0.9
109.02872	4.2
109.06522	4.9
109.10162	7.5
111.04427	1.3
111.08128	0.9
115.05473	1.8
117.07024	5.4
118.04140	3.1
118.06521	2.4
119.04970	1.7
119.06075	1.7
119.08587	16.9
120.08085	3.0
121.06506	9.3
121.10152	31.5
123.08051	3.6
123.11747	1.1
129.06967	1.2
130.04156	2.1
130.07771	1.0
131.04950	6.2
131.08568	15.6
133.02802	1.8
133.06471	2.4
133.10136	17.8
134.06036	1.3
135.08069	23.2
135.11699	47.2
136.08850	2.0
137.09612	1.2
143.08568	4.6
144.09363	2.0
145.06473	2.4
145.10138	10.8
146.05998	2.6
147.04391	1.0
147.08095	1.9
147.09151	1.5
147.11678	8.5
148.05208	3.3
148.07547	1.2
148.08778	1.3
149.05994	1.0
149.09628	7.7
149.13264	11.1
156.91635	1.0
158.10927	10.9
161.05971	1.2
161.09622	7.2
163.07542	6.1
163.08699	1.3
163.11191	2.9
163.14871	2.4
164.07072	1.7
173.09596	3.7
173.13289	17.7
176.04718	3.7
176.08286	1.3
176.11931	2.8
191.03369	1.5
191.06931	9.0
191.10664	13.2
191.14319	100.0
191.17935	13.7
192.06477	3.9
192.10136	1.1
192.14713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
55.01864	1.3
55.05518	5.2
56.33949	0.9
57.03422	1.3
57.07066	1.3
58.45776	0.8
59.04990	1.0
67.05514	10.2
69.03087	1.2
69.03432	16.5
69.07072	13.5
69.18240	8.9
71.04996	1.8
79.05499	12.2
81.07058	13.9
83.04986	10.5
83.08615	3.5
84.71282	0.8
85.06565	1.4
86.86519	0.9
91.04980	1.2
91.05489	13.8
93.07047	15.9
95.04967	14.1
95.08611	19.9
97.06541	7.2
98.20705	1.9
103.05473	8.5
103.72448	0.9
105.07039	17.2
107.04962	4.6
107.08605	38.9
109.06517	8.0
109.10182	5.7
111.08073	2.2
115.05464	2.3
117.07027	3.8
118.04153	1.3
118.06568	1.0
119.08595	10.9
121.05678	1.2
121.06511	19.2
121.10153	33.5
123.08065	5.2
129.07014	2.3
130.07721	1.1
131.04907	4.7
131.08565	16.3
133.06462	2.7
133.10144	24.4
135.08073	18.6
135.11708	11.1
135.40948	0.9
137.09619	3.1
143.08580	4.6
144.09360	1.5
145.10146	7.7
147.08041	2.7
147.11697	16.1
148.05164	3.6
148.08839	7.8
149.09619	12.1
149.13257	13.2
158.10930	6.7
161.09625	2.5
162.10300	1.4
163.07509	3.9
163.11122	1.6
163.14854	7.3
173.13283	23.9
176.11932	1.4
180.39667	1.0
191.03345	1.4
191.07050	6.2
191.14316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03922	3.6
55.01874	1.9
55.05503	7.1
57.07066	1.9
63.05909	1.4
64.70450	1.5
65.03930	3.3
67.05173	1.8
67.05508	19.6
69.03146	1.5
69.03433	17.4
69.07069	16.3
69.40807	11.5
69.56133	1.5
71.04999	17.3
78.31210	1.5
79.05492	20.5
81.03403	1.8
81.07059	19.6
83.04983	5.0
83.08610	4.4
85.06532	6.3
85.55742	1.6
91.05480	24.1
93.07048	21.6
95.04969	8.9
95.08612	19.3
97.06513	6.2
103.05466	14.1
105.07039	35.2
107.04994	7.4
107.08597	55.5
109.02859	2.2
109.06525	11.9
109.10160	49.4
111.08075	2.0
112.26883	1.4
115.05447	3.9
117.06990	5.3
118.04153	4.7
119.04977	2.2
119.05988	1.7
119.08589	17.4
121.06515	11.4
121.10149	50.7
122.07321	1.5
123.08067	12.8
127.52188	1.6
129.07030	3.6
130.04138	2.6
130.07687	1.5
131.04930	12.4
131.08578	38.4
133.02852	4.7
133.10136	100.0
135.08051	40.5
135.11696	10.9
137.09650	9.6
143.08549	5.2
144.09335	3.0
145.10109	12.8
146.03683	2.7
147.11702	18.1
148.05200	8.8
149.09624	13.2
149.13245	18.0
156.09338	1.8
158.10913	11.9
161.09572	2.3
163.07539	11.7
163.11067	1.7
163.14786	3.8
173.11769	2.7
173.13268	50.7
173.14708	3.2
176.04669	4.2
176.12071	2.3
179.76535	1.7
191.07033	16.1
191.10654	5.0
191.14313	92.4
191.17876	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	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31301	3.7
53.03941	8.6
55.05513	21.7
56.41214	3.8
57.07081	7.2
65.03940	4.1
65.61791	3.8
67.05505	37.6
69.03432	6.3
69.07076	44.3
69.39732	26.3
69.40148	8.3
71.00725	4.0
72.98195	4.0
76.57247	4.0
78.80261	3.9
79.05495	23.1
81.07070	35.4
83.04987	4.3
83.08611	18.1
85.89859	4.1
91.05474	19.4
93.06487	6.0
93.07053	71.3
95.08614	93.3
97.10160	9.7
98.56995	5.0
105.07042	14.4
107.08602	90.4
109.02908	5.0
109.07627	5.2
109.10165	82.6
110.07190	5.8
111.04456	4.6
111.92663	4.2
117.07021	5.2
118.06551	8.6
119.08591	10.2
121.06525	4.5
121.10153	94.9
123.11704	9.8
131.08572	8.7
133.10146	9.6
135.08047	19.0
135.11696	83.2
145.10132	12.4
147.11644	6.2
149.08147	4.3
149.09596	4.0
149.13254	23.3
163.11201	9.8
163.14886	5.0
164.07042	6.2
173.09601	6.8
173.13258	16.1
176.08354	5.7
191.06873	4.9
191.08353	6.7
191.10533	45.2
191.14262	25.7
191.17961	100.0
192.06619	9.3
192.17474	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03959	2.1
55.05514	15.3
57.07064	4.7
65.03954	1.7
67.05248	1.3
67.05511	14.9
69.03423	3.3
69.06734	2.3
69.07078	31.8
71.51643	2.0
79.05494	18.1
80.05019	1.7
81.07069	19.6
83.04971	2.2
83.08614	13.6
91.05487	13.5
93.07053	47.3
94.07395	1.3
95.04956	1.8
95.08614	69.9
97.06518	2.0
97.10175	6.8
103.05473	3.1
105.07035	10.3
107.08601	62.2
108.90457	1.4
109.02884	5.9
109.09473	2.3
109.10167	32.4
111.04443	1.8
111.11722	1.5
117.07056	3.0
118.06527	3.2
119.08580	5.3
120.08131	1.6
121.02918	1.7
121.06503	3.1
121.10154	70.2
122.03271	2.3
122.06120	1.6
123.11695	5.8
131.04877	1.3
131.08580	4.6
133.10139	6.0
135.08080	8.6
135.11700	57.0
140.70784	1.2
143.08545	2.2
145.06526	1.9
145.10149	4.4
146.05992	2.6
147.11708	3.6
148.07597	2.3
149.02353	4.4
149.09645	2.6
149.13287	13.9
150.02690	15.2
156.96294	1.5
161.09666	1.6
163.11185	4.6
163.14806	2.2
167.94174	1.4
173.09619	3.6
173.13255	4.9
176.08380	2.8
191.03362	2.8
191.06952	3.8
191.08452	3.2
191.10666	14.1
191.14336	22.3
191.17963	100.0
192.06619	5.1
192.18277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.46556	1.6
55.05515	15.6
57.07071	3.8
63.79184	1.4
65.03925	1.9
66.38198	1.7
67.05512	18.3
69.03429	3.1
69.07073	40.7
71.51856	2.2
71.85445	1.4
74.09035	1.5
78.94862	1.6
79.05498	16.6
81.07055	18.9
83.04958	3.4
83.08630	12.0
83.81850	1.7
90.84653	1.6
91.05485	17.2
93.07051	52.5
95.04965	4.0
95.08614	81.1
97.10188	8.9
103.05523	2.5
105.07035	12.4
107.07877	3.5
107.08601	57.2
108.90482	2.7
109.02886	5.1
109.06519	3.2
109.09473	2.7
109.10162	31.8
111.04428	2.2
114.96582	1.6
115.05492	2.2
117.07010	3.5
118.06523	3.4
119.08572	4.4
120.08082	2.2
121.06495	4.1
121.10156	79.2
121.11040	4.2
123.11707	5.5
130.07814	1.7
131.08597	11.1
133.07582	3.3
133.10132	8.2
135.08080	9.9
135.11697	59.9
145.10136	6.0
146.06000	3.5
147.11723	5.6
149.09618	2.6
149.13269	16.1
153.51631	1.7
163.11198	5.2
163.14799	3.4
173.09651	4.9
173.13274	13.2
176.08374	3.0
191.06984	5.3
191.08478	2.6
191.10641	17.6
191.14339	26.5
191.17958	100.0
192.06575	3.5
196.67628	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.76833	1.8
53.03933	5.5
55.01860	5.4
55.05511	24.9
55.44892	1.5
57.07088	7.5
59.04997	1.6
65.03934	2.0
66.04706	2.6
67.05181	2.1
67.05508	27.3
68.99773	1.4
69.03424	12.9
69.07070	56.4
71.04997	3.2
71.50670	1.8
77.03915	1.7
79.05494	34.7
80.05789	1.3
80.06287	1.6
81.03405	3.6
81.07057	31.8
83.04996	9.5
83.08619	16.4
85.06544	2.6
89.03903	1.7
90.04700	1.9
91.05481	35.3
92.06255	2.1
93.07047	75.3
94.43166	1.3
95.04968	9.3
95.05473	1.6
95.08609	84.2
97.06512	4.4
97.10168	9.2
102.04686	7.9
103.05474	82.4
105.03383	6.1
105.07030	33.3
106.06533	2.2
106.81195	1.5
107.04960	13.7
107.08596	93.2
109.02828	6.9
109.06502	6.5
109.10162	57.9
109.10792	1.5
111.04424	2.5
111.08098	2.0
111.11729	2.3
115.05457	9.7
116.06242	2.4
117.07027	11.2
118.03431	1.4
118.04178	22.0
118.06524	4.9
119.04971	9.1
119.08566	14.5
120.05746	2.6
120.08118	3.5
121.02840	2.4
121.06512	13.3
121.10145	100.0
123.08044	6.2
123.11695	10.9
129.06985	3.6
130.04181	9.0
131.04936	74.0
131.08566	28.8
132.05673	4.5
133.02864	16.7
133.06544	7.5
133.10127	31.0
135.08063	31.0
135.11693	72.7
136.07542	2.2
136.12083	2.0
137.09639	2.1
143.08563	4.7
144.09358	2.1
145.06470	8.1
145.10123	17.4
146.03598	6.1
146.05995	2.5
147.04408	6.0
147.08067	2.2
147.11682	10.8
148.05211	43.4
149.05980	3.5
149.09576	7.0
149.13251	27.1
150.10471	1.9
158.03450	1.5
158.10986	7.4
159.04399	5.6
160.05125	2.6
161.05911	3.2
161.09602	6.8
163.03882	2.0
163.07542	63.0
163.11171	7.1
163.14795	6.3
164.06941	2.6
173.06001	6.0
173.09616	6.7
173.13258	24.6
176.04678	26.6
176.08336	4.3
176.12000	2.6
191.03363	4.1
191.07007	82.3
191.10614	29.2
191.14317	86.6
191.17949	99.1
192.06607	6.2
192.14581	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01853	2.1
55.05269	2.4
55.05515	34.1
57.07065	6.2
65.03938	2.5
67.05503	33.2
67.33207	1.4
67.50800	1.4
69.03412	2.4
69.07074	29.6
71.25592	2.1
79.05497	32.0
81.06602	2.8
81.07063	53.5
83.04976	3.5
83.08633	16.6
84.53194	1.7
86.94543	1.5
91.05479	17.2
93.07049	73.2
95.04962	2.8
95.08613	71.3
97.10168	17.7
103.05453	4.7
105.04533	1.6
105.07043	18.1
107.04935	2.7
107.08603	82.6
109.02884	4.2
109.06497	3.2
109.10161	59.7
111.11713	2.9
112.65595	1.4
118.04153	2.0
118.06549	3.4
119.08572	6.8
120.08095	2.5
121.06526	1.7
121.10150	78.7
123.08113	1.9
123.11688	9.7
131.04950	2.8
131.08556	6.4
133.10144	9.4
135.08083	7.1
135.11697	100.0
145.10101	4.9
146.05977	3.8
147.11685	3.7
148.05188	2.9
149.09645	2.6
149.13269	23.6
149.18942	1.4
158.10974	1.6
163.07535	4.1
163.11203	3.4
163.14809	4.6
164.07018	2.2
164.87663	1.5
173.09683	3.0
173.13263	6.2
176.08319	3.2
191.03339	3.2
191.06961	4.4
191.08438	2.9
191.10544	13.4
191.14297	20.2
191.17955	78.0
192.06598	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.81112	2.4
55.05515	20.9
56.56143	2.3
57.07067	7.4
67.05507	23.5
69.07072	43.0
71.08630	2.7
71.51704	2.9
79.05503	19.5
80.05008	2.8
81.06661	2.5
81.07069	26.3
82.29575	2.2
83.04980	4.1
83.08629	14.8
91.05485	14.9
93.07048	60.5
95.04976	3.6
95.08616	73.0
96.73168	2.2
97.10159	9.1
103.05456	5.1
105.07048	16.2
107.08601	74.1
108.90384	3.2
109.02887	2.6
109.10165	58.0
111.04426	3.2
118.06563	2.9
119.08578	5.5
121.06515	4.7
121.10146	91.3
123.11716	12.4
131.08571	7.3
133.10121	12.1
135.08089	12.7
135.11697	94.1
145.10104	6.0
146.06044	3.3
147.11703	4.4
149.13277	36.2
163.07527	3.3
163.11179	6.6
163.14873	3.9
173.09517	4.7
173.13268	7.3
176.08395	6.9
191.08244	4.2
191.10649	30.0
191.12218	2.7
191.12830	3.2
191.14299	24.3
191.17963	100.0
192.06566	5.6
192.10233	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	2.5
55.05276	1.7
55.05517	26.8
57.01683	1.4
57.07082	12.1
58.20208	1.1
65.03937	2.6
66.53465	1.3
67.02930	1.1
67.05181	1.9
67.05513	25.4
68.04996	2.1
69.03407	1.4
69.07074	27.2
70.63950	3.1
70.64281	1.1
79.05500	26.7
80.05019	1.3
81.04551	1.8
81.06595	2.2
81.07065	44.9
81.87177	1.2
83.08626	15.6
91.05475	13.7
93.07052	65.8
95.04990	3.1
95.08616	70.5
95.34119	1.0
97.10177	14.0
105.04501	1.5
105.07049	12.6
107.08603	66.9
108.05580	1.6
109.06499	1.6
109.07659	2.5
109.10165	51.4
110.07145	3.5
111.04372	1.7
111.11700	2.5
118.06567	1.4
119.05960	1.2
119.08582	4.7
121.06528	2.4
121.10154	60.9
123.08110	2.1
123.11720	11.5
131.08575	3.0
133.07620	4.1
133.10112	9.1
135.08105	8.3
135.11702	100.0
136.12047	2.6
145.10141	4.5
146.05995	2.0
147.11736	3.6
148.08693	1.9
148.12497	2.9
149.08226	1.9
149.13266	33.5
149.14389	2.5
150.10240	3.3
163.11160	4.4
163.14825	3.2
173.09621	2.9
173.13316	4.7
176.08328	5.2
191.06818	1.9
191.10626	18.3
191.12860	2.5
191.14363	11.1
191.17966	76.1
192.06558	1.8
192.10201	1.2
192.12421	2.9
192.17953	1.4
200.95302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1796
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
51.02390	1.7
53.03936	6.2
55.01862	3.3
55.05511	17.8
57.07062	4.7
58.33479	1.3
65.03934	2.2
67.05506	19.9
67.37270	1.2
69.03436	22.7
69.07073	38.0
71.04978	3.2
71.50824	1.3
71.51244	1.6
74.01139	1.2
77.03923	1.9
79.05499	41.8
80.17280	1.1
81.03403	1.3
81.07061	34.2
83.04990	14.3
83.08614	12.5
90.04710	2.7
91.05484	26.6
93.07050	56.8
95.04958	7.7
95.08614	64.6
97.06532	4.4
97.10184	6.5
102.04680	3.9
103.05471	44.9
105.03387	4.3
105.07041	32.3
107.04969	14.9
107.08600	87.3
109.02901	4.1
109.06524	6.0
109.10163	38.0
111.04501	1.6
111.08101	1.9
111.11702	1.4
115.05453	5.2
117.07029	8.3
118.04183	15.0
118.06552	4.0
118.85527	1.2
119.04942	4.1
119.06071	2.8
119.08595	12.9
120.05776	2.3
120.08134	1.4
121.06490	12.3
121.10149	73.0
122.07336	1.6
123.04396	1.6
123.08077	4.7
123.11731	7.5
129.07013	3.7
130.04140	8.7
130.07764	1.7
131.04935	36.5
131.08560	22.1
132.05722	1.9
133.02844	6.4
133.06496	4.9
133.10136	39.5
135.08069	25.7
135.11697	49.6
136.08806	1.6
137.09602	8.9
143.08583	5.0
144.09343	1.6
145.06474	4.2
145.10150	15.3
146.03612	3.2
146.05986	2.0
147.04460	3.1
147.08020	1.8
147.11716	9.8
148.05193	21.5
149.09619	7.2
149.13274	20.3
158.07233	1.3
158.10902	7.3
159.04408	3.0
159.08130	1.6
160.05222	1.5
161.06052	1.9
161.09651	3.1
163.07545	31.2
163.11189	5.1
163.14835	5.0
173.06026	3.9
173.09573	4.4
173.13275	24.1
176.04729	11.4
176.08345	2.9
176.11945	1.3
191.03397	3.4
191.07021	40.0
191.08804	2.8
191.10629	20.4
191.14320	100.0
191.17953	83.6
192.06615	2.8
192.14699	2.0
192.17535	1.4
200.35464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03956	1.3
55.01875	3.0
55.05512	1.7
57.07059	0.7
57.80985	0.6
67.05519	0.7
69.07063	1.3
70.06580	0.6
71.27522	0.7
71.27864	0.9
77.03923	0.9
79.05500	13.1
80.05825	0.7
81.07066	1.5
88.24644	0.7
90.04692	1.9
91.05486	7.6
93.07074	3.9
95.04985	1.7
95.08601	1.3
99.08121	0.7
103.05472	14.6
104.06269	1.4
105.07037	100.0
106.07352	1.3
107.04967	1.7
107.08608	6.3
109.06537	1.1
109.10183	1.4
112.98875	0.7
113.55281	0.6
115.05459	22.9
118.04169	11.8
119.04946	0.6
119.08564	2.3
121.07648	1.1
121.10128	5.8
123.08086	1.7
123.11727	0.7
131.04938	3.6
132.05771	1.1
133.06499	83.2
133.10141	4.5
134.06830	1.7
135.11694	2.3
137.09666	1.0
143.04944	1.9
143.06062	8.9
146.97429	0.7
147.04393	1.1
147.08032	1.3
147.11684	1.1
149.13249	5.5
150.03055	0.6
151.11189	0.7
161.05988	94.2
161.81842	0.6
162.06358	1.8
165.05486	1.3
165.07532	1.0
165.09155	1.0
175.03856	1.0
175.07570	1.1
178.06303	0.7
193.04951	5.2
193.06902	5.6
193.08624	12.9
193.15918	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.086
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
52.36594	0.6
53.03950	1.3
55.01876	3.4
55.05528	0.7
57.87679	0.5
65.03922	1.1
66.04703	0.8
67.05504	2.4
68.01575	0.5
69.03424	0.6
69.07063	1.4
70.75169	0.6
70.75507	1.0
79.05067	1.1
79.05494	13.2
80.51912	0.6
81.03416	0.9
81.07065	2.7
83.04957	0.6
87.12875	0.6
89.03965	0.6
90.04690	2.1
91.05489	12.3
93.07047	1.5
95.04962	2.2
95.08610	3.2
97.06560	0.6
98.21144	0.7
101.08935	0.5
103.05467	15.1
104.06252	1.1
105.07033	100.0
106.07365	1.6
107.04932	1.3
107.08582	1.7
109.02951	0.6
109.06496	1.2
109.10145	1.8
115.05458	21.9
118.04157	12.1
119.08562	2.9
121.07639	3.6
123.08060	1.3
131.04889	3.1
132.05739	1.3
133.06496	90.2
133.10132	3.0
134.06870	0.7
135.11713	1.3
137.05946	1.0
137.09596	0.7
143.04929	1.6
143.06023	8.5
147.11769	0.6
149.02374	0.8
149.06003	0.8
149.13249	1.0
161.05986	95.8
162.06357	2.4
175.14862	5.2
178.06265	0.7
188.11606	0.6
193.04990	3.0
193.08434	10.9
193.10066	1.1
193.15921	2.8
193.17570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.05225	0.6
51.66087	0.7
53.03940	1.8
55.01878	4.3
55.05505	1.5
66.04735	1.0
67.05500	1.9
69.07066	1.6
69.62692	4.6
77.03940	1.1
78.43201	0.8
79.05502	14.0
81.03408	1.4
81.07052	2.2
83.04964	0.8
91.05494	8.7
92.05814	0.7
93.07039	2.6
95.04971	2.3
95.08620	1.9
98.21595	0.9
99.08092	2.0
103.05482	16.1
104.06251	1.0
105.03391	1.0
105.07040	100.0
106.07359	1.4
107.05003	1.5
107.08604	2.5
109.06529	1.6
109.10182	2.8
115.05463	21.8
118.04172	11.9
118.04952	1.2
119.04938	1.3
119.08572	4.4
121.07673	1.9
121.10146	1.1
123.08059	1.5
123.11714	1.1
131.04959	3.8
132.05731	2.3
133.06503	85.7
133.10156	5.0
134.06847	2.0
135.11703	2.0
137.05994	1.0
137.09665	2.2
143.05019	1.3
143.06047	8.1
147.04401	1.2
147.08054	0.9
147.11728	2.1
149.02373	1.2
149.05949	1.3
150.06958	0.7
151.11212	1.2
161.05998	89.0
162.06427	1.2
165.05450	1.4
165.09186	0.9
175.07561	1.4
175.14839	3.1
178.02617	1.0
185.09387	0.7
193.05034	5.2
193.06776	1.3
193.08490	13.1
193.12183	1.3
193.15930	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	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
51.02410	0.7
53.03959	1.8
55.01874	4.3
55.05517	0.6
56.61598	0.5
65.03915	0.8
66.04718	0.6
67.05520	1.8
69.03457	0.6
69.07059	0.6
70.94471	0.9
72.29133	0.5
73.32267	0.6
77.03957	0.8
79.05499	12.7
81.07049	1.3
83.05005	0.6
85.06580	0.8
90.04702	1.2
91.05489	7.7
93.07034	1.5
95.04976	1.6
95.08609	1.7
99.08118	1.6
102.04677	0.8
103.05469	16.5
104.06257	2.3
105.07036	100.0
105.37510	0.5
106.07365	1.4
107.04967	0.7
107.08620	1.3
109.06551	0.7
109.10177	2.3
115.05460	22.8
118.04160	11.2
119.05055	0.5
119.08588	2.7
121.07656	0.8
130.04185	0.5
131.04909	4.0
132.05717	2.0
133.06499	84.5
133.10083	4.0
134.06807	1.1
135.04443	0.5
135.11684	1.3
137.05960	1.0
137.09602	1.7
143.04941	1.5
143.06000	7.0
147.04404	1.0
147.11676	1.2
149.02281	0.6
149.05942	0.8
151.11237	0.9
160.05197	1.0
161.05989	82.5
162.06328	1.8
163.03963	0.6
165.09117	0.7
174.21588	0.5
175.07751	0.5
175.14787	2.3
178.06245	0.9
193.04988	4.1
193.08572	21.3
193.12183	1.2
193.15871	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Cuminyl acetate
Peak:m/z	Relative Intensity
50.09290	0.6
51.02382	0.6
53.03946	2.4
55.01875	9.0
55.05510	4.3
57.03443	1.8
57.07085	1.6
59.04991	1.5
65.03938	1.9
66.04751	0.7
67.05515	4.3
69.03448	0.9
69.07072	4.6
70.45684	1.8
71.04987	1.8
77.03954	1.1
79.05489	13.2
81.03410	1.1
81.07063	6.3
83.04980	1.1
83.08588	1.1
85.06567	0.9
89.03918	0.7
91.05484	50.9
93.07046	10.2
94.04179	0.6
95.04958	3.4
95.08611	8.8
97.06519	1.2
103.05470	12.8
104.06239	1.9
105.03428	1.0
105.07034	100.0
106.07366	1.4
107.04954	2.6
107.08593	8.8
108.05753	3.5
109.02896	1.0
109.06532	5.3
109.10148	7.9
111.08088	0.8
115.04697	1.2
115.05457	16.9
116.06249	11.1
116.07030	1.3
117.07037	5.9
118.04166	6.2
118.07795	3.3
119.04945	2.1
119.08587	20.6
120.09328	1.9
121.06503	10.5
121.07604	1.7
121.10147	2.6
122.03645	0.9
122.07291	0.9
123.04420	1.1
123.08073	12.2
123.11699	1.3
129.07005	6.1
131.04912	3.6
131.08575	40.7
132.05698	2.2
133.02840	1.4
133.06499	56.4
133.10136	56.9
134.06871	0.9
135.04439	1.3
135.08055	11.3
135.11670	8.2
136.05209	6.8
137.06010	3.0
137.09622	4.7
138.06781	0.9
139.07561	0.8
143.05019	1.2
143.06046	4.6
145.10127	1.5
147.04395	2.0
147.08037	2.7
147.11679	6.2
148.07634	1.0
148.08833	18.5
149.05925	1.6
149.09514	1.1
149.13277	2.0
150.10428	0.7
151.07559	17.7
151.11218	0.8
151.14830	1.3
160.05194	0.9
160.12422	0.8
161.05989	47.5
161.09607	4.8
162.06503	1.4
163.07549	3.5
163.11185	28.4
165.05519	1.1
165.06870	0.9
165.09105	3.4
165.12770	4.1
175.07504	1.9
175.11317	1.5
175.14839	26.9
178.02629	1.5
178.06297	1.4
178.07767	0.7
178.09937	4.8
181.12218	2.0
191.11807	2.6
193.04982	5.5
193.08507	18.3
193.12247	56.1
193.15892	9.5
194.12497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01872	1.0
55.05315	0.6
55.05513	7.0
57.03416	0.8
57.07066	4.5
59.04986	1.4
60.01466	0.7
65.03923	3.2
67.05504	10.0
69.03401	1.3
69.07072	10.9
70.89027	2.1
71.04948	0.8
71.76054	0.7
77.03962	1.0
79.05492	5.7
81.03422	0.9
81.07061	10.9
83.04977	1.6
83.08613	4.2
85.06541	1.8
91.05485	15.1
93.07040	13.0
95.04971	1.9
95.08610	30.0
97.06520	1.5
99.04456	1.4
99.08099	1.1
103.05452	3.1
105.07031	34.1
107.08602	12.2
109.06512	2.9
109.10165	27.4
109.10934	1.2
111.08066	1.0
115.05447	2.6
117.07030	2.5
119.08586	69.9
121.02809	1.4
121.06509	1.2
121.07476	0.7
121.10134	6.3
123.08068	4.0
123.11694	3.0
125.09531	0.7
131.04922	1.1
131.08548	3.1
133.02820	1.9
133.06514	10.5
133.10133	90.4
134.10608	0.9
135.10701	1.3
135.11694	22.2
137.05914	0.9
137.09628	9.4
145.10139	6.6
147.04410	2.2
147.11697	26.0
149.02322	10.1
149.03453	2.2
149.13240	10.2
151.14810	3.9
159.11681	1.9
160.12494	3.8
161.05988	9.0
165.05478	1.2
173.13277	1.9
175.14832	100.0
176.15141	2.4
193.04996	7.5
193.08485	6.6
193.12242	1.1
193.15887	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
55.05510	6.3
57.07077	3.0
59.04992	1.4
67.05506	8.3
69.07064	9.0
71.02454	2.6
71.41410	1.1
79.05489	4.4
81.05414	1.2
81.07050	8.6
83.04960	1.3
83.08620	3.0
91.05482	10.4
93.07046	9.5
95.08611	24.9
95.09175	1.7
103.05511	1.8
105.07037	22.5
107.08588	10.3
109.10162	22.9
109.83333	1.3
115.05457	2.1
117.06996	2.2
119.08595	65.8
121.10140	6.8
123.08105	2.6
123.11747	2.6
131.08565	2.9
133.06494	4.8
133.10141	76.4
134.10869	1.3
135.11700	19.2
137.09619	7.4
145.10181	6.4
147.11691	20.4
149.13306	6.3
151.14828	4.9
160.12466	3.2
161.05994	5.4
173.13196	1.6
175.14838	100.0
176.15181	1.1
193.04956	1.6
193.15895	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03937	2.5
55.01869	1.9
55.05516	10.6
55.81297	1.6
57.07076	3.4
59.04985	2.7
65.03943	2.1
67.05508	17.2
69.03423	3.4
69.07073	21.2
69.39494	10.9
79.05505	11.1
81.03435	3.4
81.07059	20.6
83.04976	6.3
83.08622	5.4
85.06561	2.4
91.05488	21.7
93.07045	13.0
94.15622	1.5
95.04996	5.3
95.08610	36.5
103.05476	7.4
105.07040	46.0
107.04984	2.1
107.08597	15.2
109.06535	15.2
109.10165	29.8
111.08104	2.3
115.05471	5.3
117.07037	3.3
118.04171	3.2
119.04935	1.9
119.08586	72.6
121.07632	6.0
121.10148	9.2
121.37918	1.5
123.04466	1.7
123.08095	8.7
123.11700	4.3
131.08574	5.5
133.02832	2.6
133.06503	23.3
133.10143	79.0
135.08075	3.1
135.11716	23.3
137.06018	1.7
137.09650	15.6
137.13394	1.9
143.06007	2.7
145.10161	6.6
146.97452	1.6
147.04443	2.2
147.08112	2.4
147.11700	22.9
149.02357	6.6
149.13281	7.5
151.11211	12.8
151.14807	9.5
160.12483	4.2
161.06015	22.7
175.03864	1.9
175.14841	100.0
192.17816	1.8
193.04997	12.6
193.06958	2.3
193.08623	8.5
193.09937	6.3
193.12245	4.0
193.15910	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.02383	0.7
51.79161	0.7
53.03940	1.4
55.01862	0.7
55.05516	4.0
57.07067	1.8
65.03934	0.9
66.04718	0.8
67.02296	0.7
67.05506	7.1
69.07066	3.9
70.03609	2.1
70.03992	1.4
71.04996	4.0
78.07119	0.7
79.05497	10.5
81.03411	0.8
81.07061	15.5
83.08629	2.3
85.06539	1.6
89.29555	0.7
91.05482	21.2
93.07052	31.2
95.04960	2.8
95.08610	11.9
97.06532	1.1
98.21445	0.8
103.05461	1.7
105.06313	1.2
105.07034	27.3
107.08598	44.3
108.04472	0.9
108.06910	0.9
109.02834	1.1
109.06523	8.0
109.10161	7.7
111.08077	5.8
115.05446	2.3
117.07001	0.9
118.04163	1.3
119.04958	1.0
119.06049	0.9
119.08590	27.3
121.07634	9.9
121.10123	3.9
123.08071	11.3
123.11722	5.3
127.07563	1.5
131.08614	1.1
133.06490	8.8
133.10138	39.5
135.11696	100.0
136.12000	1.5
137.05984	1.4
137.09619	18.3
143.06114	1.0
145.10040	0.9
146.97455	1.2
147.11642	5.0
149.02380	1.4
149.13316	1.4
151.11177	4.0
160.12524	1.1
161.05962	8.8
165.05487	0.9
175.14836	42.9
176.15164	0.8
178.02592	1.0
193.04971	3.7
193.07013	1.0
193.09866	10.4
193.15886	33.9
202.72961	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.02612	1.0
53.03933	2.3
55.01872	2.8
55.05513	11.5
57.02007	1.1
57.07079	5.3
59.04993	2.1
67.05511	17.5
69.03426	2.3
69.07066	13.3
69.96802	5.8
73.83038	1.2
75.56142	1.0
77.03927	1.2
79.05502	11.4
81.03426	3.1
81.07065	14.5
83.04990	4.4
83.08620	4.2
85.06547	6.8
91.05483	18.5
93.07050	16.4
95.04977	4.4
95.08615	33.1
97.06561	1.7
98.97560	1.4
99.08109	7.6
103.05479	7.4
104.06247	1.1
105.07040	57.0
107.08599	17.5
109.02909	1.9
109.06518	5.2
109.10168	36.4
111.08084	2.0
115.05453	10.5
117.07044	2.7
118.04175	4.0
119.04976	2.2
119.08589	65.9
121.06537	1.5
121.07631	4.0
121.10153	9.1
123.04433	1.3
123.08059	6.9
123.11731	3.2
129.01283	1.0
131.04936	2.6
131.08620	5.1
133.02852	5.0
133.06512	31.2
133.07468	2.4
133.10139	83.2
134.10834	2.0
135.11699	27.2
137.06007	2.7
137.09628	17.3
143.06055	3.0
145.10136	5.4
146.05984	1.1
146.97418	1.2
147.04411	3.9
147.06371	5.5
147.08070	1.8
147.11697	20.2
149.02335	2.1
149.05923	1.4
149.13261	7.1
150.06764	3.9
151.03883	1.3
151.07552	2.3
151.11234	1.2
151.14847	4.6
159.11717	1.3
160.12497	3.5
161.06030	26.1
162.06773	1.7
165.05525	3.8
165.07060	1.1
165.09081	5.3
165.12782	1.2
173.13234	1.6
175.03905	2.4
175.07487	1.5
175.14838	100.0
176.15166	1.7
178.02597	2.2
178.06264	2.2
193.04991	19.2
193.06784	1.9
193.08440	15.8
193.10065	2.6
193.12314	3.4
193.15895	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03926	1.3
55.01869	1.3
55.05515	11.6
57.03439	1.4
57.07077	3.2
59.04973	1.3
65.03934	2.3
65.06882	1.0
67.05243	1.0
67.05518	10.7
69.06734	1.6
69.07074	23.6
69.49533	0.9
69.86125	6.1
71.04999	15.7
79.05498	8.2
81.06598	1.4
81.07058	23.1
83.04965	2.4
83.08621	4.1
85.06549	12.3
91.05477	9.5
93.06485	2.0
93.07052	30.3
94.06599	1.2
95.04979	31.6
95.08615	19.7
97.06519	2.8
97.10183	6.4
98.21387	1.6
99.08099	5.0
103.05470	2.5
105.07038	17.0
106.06572	1.2
107.08601	34.8
108.04485	1.3
108.06850	1.9
109.02879	1.3
109.06527	100.0
109.10167	16.8
110.03236	1.7
111.08099	6.9
111.11733	2.5
115.05475	2.5
116.31601	1.0
119.08592	30.9
121.07639	34.8
121.08468	1.4
121.10163	9.7
123.08083	7.2
123.11719	20.1
125.09621	1.8
128.39307	1.2
133.06494	4.8
133.10135	23.2
135.10698	2.2
135.11703	33.6
136.07549	1.3
137.09625	15.2
146.97452	2.3
147.11679	4.9
148.07513	1.7
149.02388	5.6
149.03351	1.2
149.13264	9.3
150.08961	1.2
151.11169	5.5
161.06038	5.2
165.10266	2.3
166.08698	1.9
175.14836	38.7
193.04993	7.6
193.06946	2.7
193.09825	28.7
193.11769	1.7
193.12253	1.9
193.15889	57.1
194.08159	2.3
194.09984	1.7
194.15494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64905	0.4
53.03955	2.7
54.31135	0.4
55.01875	1.5
55.05526	0.9
57.03441	39.3
65.03941	2.5
67.01859	0.6
67.05521	0.6
68.99795	6.4
69.03433	1.5
69.07084	0.6
70.75669	1.3
70.76017	0.5
71.01362	0.6
77.32838	0.5
79.01868	0.4
79.05494	2.4
81.03425	11.1
81.07056	1.7
83.01336	1.9
83.04987	1.0
83.08601	0.5
84.08129	0.5
85.02911	76.0
89.03919	4.7
89.06033	0.5
91.05483	1.9
93.03413	1.5
93.07063	1.5
95.05004	1.0
95.08591	1.3
97.02896	7.5
99.04449	0.6
99.08075	0.6
103.05510	1.1
105.03436	0.6
105.07030	1.7
106.04182	0.5
107.01326	3.8
107.04962	3.7
107.08598	1.6
109.02886	9.8
109.06508	0.8
109.10192	1.0
111.00806	3.5
111.04469	1.1
112.87096	0.4
117.03382	10.1
117.07063	0.5
121.02029	0.6
121.02872	7.5
121.06483	1.0
121.10136	1.1
125.02366	13.8
127.03941	1.5
134.03659	1.4
135.00778	0.9
135.04419	2.2
135.08076	1.8
135.11746	1.5
139.03891	1.1
139.07594	0.6
145.02853	17.9
148.97383	0.7
149.02353	4.7
149.05968	4.6
149.09622	1.3
151.05908	0.4
153.01840	7.2
153.05521	0.8
162.03119	0.6
163.03938	2.9
163.07587	0.7
167.03455	2.4
167.07028	1.2
171.02895	11.9
177.01889	5.3
177.05476	20.5
177.09013	1.0
177.12802	0.6
195.02905	100.0
195.10068	1.2
195.11676	1.0
195.13844	0.5
195.15668	0.7
196.03232	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0289
Annotation	6,7,8-Trihydroxycoumarin
Peak:m/z	Relative Intensity
53.00328	0.5
53.03960	2.8
55.01872	3.8
55.05516	0.9
57.03441	35.3
57.07068	0.9
65.03946	3.1
67.05502	1.8
68.96326	0.7
68.99792	5.3
69.03438	1.7
69.07070	1.1
71.01357	0.6
71.05006	1.0
72.73698	0.4
77.34980	0.5
79.05070	0.6
79.05499	7.9
81.03423	13.3
81.07049	2.5
83.01363	2.4
83.04989	2.0
84.08175	0.7
85.02910	76.2
89.03923	4.5
89.06039	0.7
91.05488	3.5
93.03421	1.9
93.07049	6.1
95.04977	1.9
95.08613	2.2
97.02898	5.1
97.06535	1.0
99.04483	0.7
103.05461	3.8
105.07034	2.7
106.04174	2.0
107.01325	3.6
107.04962	13.2
107.08612	4.2
109.02890	10.8
109.06528	0.9
109.10168	1.0
110.03671	0.7
111.00806	3.5
111.04458	1.1
117.03384	6.7
119.08607	0.9
121.02885	6.7
121.06517	2.6
121.10139	3.4
123.04443	0.5
125.02359	12.7
125.06011	1.2
127.03958	1.3
127.76585	0.5
130.96327	0.9
131.04921	1.0
131.08572	0.8
133.10153	0.7
134.03658	1.5
135.00818	1.0
135.04437	5.2
135.08072	1.6
135.11679	3.3
137.05981	0.8
137.70067	0.4
139.03920	1.6
139.07489	1.3
145.02861	8.9
145.03967	0.4
147.08044	0.5
149.02354	4.7
149.05988	5.7
149.09656	3.0
149.13264	0.7
153.01836	7.2
153.05441	0.9
153.09091	0.5
153.97847	0.7
159.11694	0.6
162.03168	0.5
163.03923	6.5
163.07610	0.8
165.05632	0.6
165.07014	0.5
167.03386	3.3
167.07123	2.4
171.02901	11.8
171.98944	0.6
177.01874	5.0
177.05479	13.9
177.09109	1.3
177.12781	1.4
195.02904	100.0
195.06500	3.5
195.10124	4.6
195.11710	0.7
195.13823	1.3
196.03268	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03952	1.7
55.01870	1.1
55.05530	1.0
56.66256	0.6
57.03438	1.5
63.02372	0.7
65.03933	1.6
67.05527	1.3
68.96352	1.2
69.03423	0.9
69.07061	1.7
69.62104	3.8
77.03935	1.0
78.04714	1.7
79.05493	6.9
81.03405	1.2
81.07060	2.6
83.04993	0.9
84.08115	1.3
85.02921	1.7
89.03920	28.1
89.06005	0.9
91.05477	8.3
93.03410	1.9
93.07059	3.5
95.04974	2.5
95.08601	1.0
97.02898	1.1
97.06557	1.3
98.97614	0.8
101.35654	0.6
103.05472	4.7
105.04562	0.7
105.07027	4.7
106.04169	2.6
107.04963	22.2
107.05579	0.8
107.08607	3.8
109.02851	0.8
109.06526	1.0
111.04465	3.0
115.05449	1.6
117.03384	56.1
117.07014	1.5
119.04933	1.4
120.05712	0.8
121.06524	3.9
121.10148	2.7
123.04445	0.8
123.08053	0.7
123.11716	0.8
123.51437	0.6
125.05991	2.5
125.09650	0.8
130.96336	0.9
134.03619	7.7
135.04442	9.1
135.08041	7.4
135.11664	0.7
137.06000	1.3
137.09708	0.6
137.13255	1.7
139.03883	0.9
145.02852	100.0
147.04433	0.7
148.97408	0.8
149.02330	0.6
149.04791	1.2
149.05992	24.4
149.09639	2.8
151.07524	1.3
153.05489	3.7
153.97884	1.0
154.06265	1.6
162.03088	2.9
163.03912	11.9
163.07587	6.0
165.05478	0.9
167.07060	8.1
171.98918	0.9
177.05476	91.9
177.08983	1.8
177.16348	0.9
178.05797	0.8
180.07770	2.2
186.05539	0.7
195.02873	2.6
195.06483	4.4
195.08282	1.0
195.10126	7.9
195.11618	1.1
195.13858	0.9
195.15781	1.0
195.17476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
55.78756	0.5
55.95177	0.5
62.08621	0.5
62.29440	0.5
68.66388	0.5
70.34518	0.5
70.65742	1.4
72.19607	0.4
73.08061	0.5
74.44485	0.6
78.04706	1.3
79.05506	0.8
89.03919	22.6
91.05492	2.6
93.03392	0.5
93.07032	1.0
103.05465	0.9
106.04159	1.1
107.04951	1.0
116.25229	0.4
117.03387	50.2
121.06542	1.1
134.03641	7.4
135.04399	4.7
140.38385	0.5
140.74409	0.6
145.02853	91.6
146.03218	1.1
149.04784	1.1
149.05988	21.0
154.26781	0.5
162.03185	2.7
163.03900	8.2
177.05476	100.0
178.05820	0.9
186.05493	0.6
195.06505	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.26884	0.4
53.03949	1.1
55.01879	0.7
55.05507	0.7
56.33497	0.4
57.03447	0.7
63.02391	1.2
63.52465	0.4
65.03944	1.6
67.05507	1.0
68.96324	0.5
68.99783	0.6
69.84060	0.9
69.84461	1.3
70.06601	0.5
78.04713	1.3
79.05479	2.8
80.04424	0.3
81.03428	0.9
81.07073	1.3
83.04993	0.6
84.08145	0.7
85.02917	1.6
86.09679	0.4
89.03922	23.6
89.06025	0.5
91.05486	4.2
93.03429	1.3
93.07058	2.2
95.04967	2.4
95.08594	1.1
96.48228	0.5
97.02908	0.6
97.06556	0.7
98.20770	0.5
98.97614	0.5
103.05473	3.1
105.04516	0.4
105.07034	2.3
106.04199	2.1
107.04965	11.4
107.08598	1.5
109.02907	0.7
109.06525	0.7
110.03720	0.4
111.04484	1.9
112.37714	0.4
115.05494	1.0
117.03387	49.6
117.07024	0.6
119.05018	0.5
121.06512	1.9
121.10159	1.0
123.04453	0.4
124.05212	0.5
125.05971	1.9
129.39421	0.4
130.96320	0.7
131.04965	0.5
131.08586	0.8
134.03638	8.0
135.04425	6.2
135.07124	0.7
135.08057	3.8
135.11699	0.9
137.05995	0.7
137.09604	0.4
139.03928	0.5
139.07579	0.4
141.73853	0.4
145.02852	85.6
147.04327	0.6
148.97363	0.5
149.05988	20.2
149.09627	0.9
150.06520	0.4
153.05484	3.6
153.97850	0.5
154.06219	0.8
162.03148	2.3
163.03920	10.9
163.07550	2.7
165.05481	0.9
167.07057	4.0
177.05481	100.0
178.05833	0.7
180.07884	1.0
186.05495	0.9
195.02899	2.1
195.06540	2.4
195.08504	0.7
195.10159	4.7
195.11650	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
53.00340	0.4
53.03947	0.6
55.01880	1.0
55.05516	0.6
63.02377	0.6
67.05528	0.7
67.25585	0.4
69.07071	0.7
69.74799	2.4
71.37177	0.4
78.04713	1.2
78.18365	0.5
79.05498	3.1
81.03429	0.7
81.07045	1.0
85.02915	1.0
89.03919	25.4
91.05486	3.1
93.03394	0.6
93.07040	1.9
95.04987	1.3
95.08615	0.7
97.02900	0.4
97.06561	0.6
98.20856	0.9
103.05441	2.8
105.03371	0.6
105.07043	1.7
106.04166	2.2
107.04961	7.4
107.08601	0.9
109.06466	0.5
111.04454	0.6
117.03384	50.8
118.03680	0.7
119.04911	0.5
121.06511	1.8
121.10155	0.7
123.04412	0.5
126.46500	0.4
126.95766	0.4
130.96310	0.8
131.08562	0.5
134.03651	7.3
135.04433	6.6
135.08083	3.4
138.88957	0.4
139.03981	0.7
145.02850	87.7
146.03214	0.8
147.04352	0.5
148.97398	0.6
149.05981	21.8
149.09726	0.9
151.03906	0.5
153.05519	0.4
154.06296	0.5
158.06042	0.5
162.03142	2.3
163.03920	12.2
163.07558	1.1
167.07059	2.0
167.08415	0.6
177.05476	100.0
178.05847	1.0
186.05515	1.6
189.31967	0.4
195.02905	1.2
195.06624	2.0
195.08253	0.5
195.10178	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03939	0.6
55.01877	1.0
55.05516	1.1
62.58409	0.4
63.02381	1.0
65.03947	5.2
67.05517	1.6
69.07066	1.4
78.04725	0.9
79.05492	4.1
80.80362	0.5
81.03415	0.9
81.07045	2.8
84.08150	0.6
89.03924	23.7
91.05480	6.4
93.03410	12.0
93.07072	2.7
95.04983	1.0
95.08626	1.6
97.06535	1.0
98.20905	2.3
99.08056	0.7
103.05484	2.0
105.07042	0.8
106.04211	2.9
107.04971	8.2
107.08589	1.3
109.06493	0.7
111.04442	8.5
117.03388	45.1
119.04947	2.4
121.06492	2.2
121.10164	0.8
125.06006	13.7
130.96346	0.6
133.02831	1.0
133.10121	0.7
134.03644	7.8
135.04437	6.6
135.08037	0.7
135.11703	1.7
137.05981	1.3
145.02859	84.3
147.04428	0.6
149.05997	22.9
152.06151	0.7
153.05484	29.3
153.97932	0.8
154.06245	1.3
159.11754	0.6
162.03125	1.8
163.03923	13.9
163.07594	1.1
165.05493	0.8
165.06975	1.4
167.07076	1.9
167.08601	1.6
177.05484	100.0
178.05824	1.3
186.05516	2.9
195.02956	1.2
195.06503	4.0
195.08087	2.8
195.09837	0.8
195.11499	2.1
195.13773	0.9
202.33469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
53.87907	0.3
55.01881	2.3
55.05502	1.4
57.03432	1.3
59.02391	0.5
65.03942	6.3
67.05521	2.6
68.99792	2.3
69.03445	0.8
69.07062	1.9
70.06578	0.4
71.01350	1.4
71.04990	0.9
71.51035	0.8
71.86726	0.4
77.03914	0.6
79.05501	9.9
80.05837	0.5
81.03411	1.3
81.07066	3.1
83.04972	1.0
83.59081	0.5
83.71748	0.4
84.08140	0.8
85.02927	0.6
85.06544	1.1
89.03925	5.8
91.04974	0.6
91.05489	6.5
92.06275	0.6
92.86833	0.4
93.03427	6.4
93.07059	4.1
94.04192	0.4
95.04979	2.8
95.08625	2.1
97.06511	0.9
99.08097	0.6
103.05477	23.4
105.03382	0.6
105.04507	0.9
105.07038	10.4
106.04163	0.9
107.04964	35.9
107.07791	0.5
107.08585	2.9
109.02916	2.0
109.06523	1.3
109.10195	0.6
111.04459	6.4
111.08097	0.4
115.05466	3.4
117.03391	11.7
117.07040	1.3
119.04972	1.0
120.05715	2.7
121.02843	0.7
121.06555	3.2
121.10155	1.9
123.04441	0.6
124.05196	2.3
125.06025	1.9
125.09635	1.7
130.96269	0.9
131.04922	4.7
131.08571	0.4
133.02881	1.0
133.06445	1.1
133.10097	0.6
134.03653	2.2
135.04437	3.6
135.08063	18.1
135.11717	2.9
137.05972	1.3
139.03914	29.1
139.07510	0.5
145.02864	16.7
145.03935	0.6
145.06549	0.8
145.07562	0.9
147.04344	0.5
148.05209	0.9
148.97417	0.6
149.04929	0.6
149.06001	5.8
149.09653	0.7
150.03236	0.5
151.03940	0.4
152.06111	0.5
153.05521	1.1
153.09125	3.4
154.06261	100.0
155.06668	1.2
159.11713	0.8
163.00897	0.4
163.03931	7.1
163.07562	27.4
165.05566	0.9
165.07016	1.0
167.03452	0.5
167.07066	6.4
167.08476	0.9
177.05489	21.3
177.12776	0.9
177.16495	0.5
180.04283	0.6
180.07835	1.3
180.09294	0.6
195.02831	2.1
195.06519	3.1
195.08110	1.9
195.10182	8.3
195.11728	0.9
195.13892	1.1
195.17570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03933	1.2
55.01320	0.4
55.01871	1.7
55.05514	0.4
57.03427	0.4
62.16909	0.4
65.03941	6.1
67.05495	1.4
68.99813	0.3
69.03425	0.5
69.07047	0.6
70.85789	0.8
71.01358	0.5
71.04969	0.4
78.04720	0.5
79.05496	7.2
81.03419	0.8
81.07056	1.4
83.04980	0.4
85.02898	0.5
85.82059	0.4
89.03934	3.3
91.05490	5.8
93.03407	7.3
93.07044	1.3
94.04226	0.5
95.04975	2.4
95.08598	0.7
96.02069	0.4
102.70363	0.3
103.05473	26.0
104.06299	0.5
105.04522	0.5
105.07040	10.4
106.04189	0.4
107.04961	33.3
107.08566	1.7
109.02906	2.0
111.04453	5.2
115.05457	3.6
117.03387	5.3
117.07014	1.3
119.04935	1.1
120.05748	2.6
120.80347	0.4
121.02901	0.6
121.06512	2.1
121.10160	0.8
122.03635	0.4
123.04472	0.4
124.05222	2.3
125.05987	1.2
126.92740	0.4
131.04936	4.1
133.02888	0.4
133.06502	1.5
134.03647	0.6
135.04462	2.3
135.08060	17.2
135.11717	0.8
137.05959	0.6
139.03909	30.3
145.02856	8.6
145.06494	0.7
145.07599	1.4
147.04378	0.7
148.05203	1.1
149.05980	2.8
149.09595	0.4
153.05513	0.4
153.06863	0.4
153.97926	0.4
154.06258	100.0
155.06636	1.0
163.03920	1.7
163.07555	29.2
165.05553	1.0
165.07022	0.7
167.07100	5.0
177.05482	9.5
177.16318	0.4
180.07848	1.3
180.09303	0.7
195.02983	0.6
195.06650	1.6
195.08215	0.9
195.10176	7.8
195.11719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
50.78904	0.5
53.00311	0.6
53.03944	1.5
55.01872	1.8
55.05512	1.3
57.03440	1.0
57.07044	0.6
65.03944	5.8
67.05511	2.2
68.99793	0.8
69.03409	0.8
69.07063	1.4
69.90888	1.4
69.91291	1.9
71.01360	0.8
71.05008	0.6
78.04716	1.3
78.86686	0.7
79.05505	10.0
81.03402	1.4
81.07056	3.7
83.04970	1.8
84.08125	0.8
85.02892	0.9
85.06548	0.6
86.84177	0.5
89.03924	8.9
91.05494	6.4
93.03409	7.7
93.07062	3.6
95.04987	2.9
95.08629	2.0
97.06523	1.0
98.20963	1.5
103.05476	25.0
105.04507	1.0
105.06390	1.0
105.07038	11.3
106.04163	1.1
106.07407	1.1
107.04961	37.8
107.08596	3.3
109.02878	1.9
109.06516	1.7
109.10130	1.7
110.03690	0.7
111.04454	6.3
111.08053	0.7
115.05457	3.1
117.03389	16.9
117.07002	1.7
119.04921	1.6
120.05741	2.5
121.06528	3.2
121.07610	0.5
121.10137	2.0
123.04456	1.2
123.07277	0.6
124.05233	1.9
125.05994	2.3
125.09628	0.8
127.03882	0.7
130.96303	0.9
131.04929	4.5
133.02823	1.1
133.06462	0.8
134.03659	3.0
135.04463	4.5
135.08061	16.1
135.11700	1.5
137.06029	0.8
137.09720	0.7
139.03915	29.1
145.02859	31.7
145.06519	0.8
148.05200	1.2
148.97330	0.9
149.05986	9.3
149.09645	1.5
149.13309	1.0
153.05469	2.4
154.06258	100.0
155.06563	1.3
159.11723	0.7
162.03087	0.9
163.03926	7.0
163.07556	28.1
165.05460	1.7
165.07039	1.5
167.07065	5.8
167.08456	0.9
171.98921	0.8
177.05490	35.9
177.12683	0.6
177.16432	1.2
180.07835	1.6
180.09279	1.2
195.02945	1.6
195.06548	3.2
195.08145	1.4
195.10175	7.0
195.11731	3.1
195.13603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03933	5.6
55.01867	4.2
55.05275	1.5
55.05516	16.6
56.41940	2.0
57.03421	5.9
57.03970	1.5
57.07061	3.2
58.70924	1.7
61.81607	1.4
65.03928	3.5
67.05508	57.2
67.53185	1.7
69.03419	3.0
69.07078	17.2
71.01341	2.8
71.04995	7.6
71.51305	1.7
73.02928	1.5
77.03897	1.7
79.05494	45.2
81.02988	1.7
81.03425	16.6
81.07059	100.0
81.39745	1.5
83.04977	13.5
83.08643	10.1
85.02896	2.0
85.06531	7.5
89.03916	7.4
89.06012	7.1
91.05487	34.1
92.05798	1.5
93.07046	69.5
95.04966	7.1
95.08604	37.4
97.06535	17.3
97.10176	3.1
97.52465	1.9
99.08079	4.4
103.05453	3.6
105.07066	10.2
107.04938	7.6
107.08601	37.4
109.06508	6.0
109.10126	6.1
111.04400	3.0
111.08102	7.9
117.03371	16.2
117.07021	12.5
119.08566	6.3
121.06517	9.2
121.10140	10.5
123.08067	3.4
125.05933	2.6
129.07010	1.7
131.08554	13.0
133.10147	14.2
134.03662	2.8
135.04440	3.9
135.08069	7.8
135.11697	36.3
135.12694	2.3
139.07555	5.0
139.11214	2.2
145.02872	20.6
145.03912	3.4
145.10121	1.8
149.06003	7.1
149.09633	2.6
149.13266	14.4
150.09138	2.5
151.11206	2.2
152.06174	1.6
153.05388	1.7
153.97920	2.1
159.11703	16.3
163.03902	4.4
163.11201	1.8
165.07007	7.0
177.05460	27.2
177.12756	15.0
180.09326	3.4
195.02879	14.4
195.06493	4.3
195.08163	5.5
195.11594	9.0
195.13794	28.9
195.15692	5.0
195.17407	1.8
196.17044	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1383
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
53.03948	4.0
55.01882	2.8
55.05511	4.3
57.03430	2.3
57.07077	3.0
59.05003	1.4
62.13760	1.1
65.03947	3.4
67.05511	23.7
68.42507	1.1
69.07072	5.1
70.06617	1.6
71.05006	1.8
71.50999	1.3
73.12321	1.3
74.22962	1.3
76.98069	1.3
79.05501	100.0
80.73569	1.5
81.03411	2.1
81.07067	42.7
83.04980	6.3
83.08631	1.9
89.03941	6.7
89.06030	5.1
91.05492	10.4
93.03426	2.7
93.07051	32.6
94.54219	1.3
95.04998	3.7
95.08629	7.1
97.06541	23.8
101.01501	1.3
103.05498	2.0
105.07049	5.6
106.04150	1.5
107.04945	11.5
107.08601	20.3
109.06586	1.6
111.04462	12.4
117.03380	14.2
117.07031	4.3
119.08580	2.7
121.02889	2.4
121.06541	2.7
121.10171	9.2
123.08079	1.7
125.06005	39.7
131.08569	3.1
133.10138	3.0
134.03674	2.5
135.04390	3.0
135.08054	4.0
135.11707	8.1
139.07571	3.0
145.02853	18.6
148.97301	2.0
149.05981	8.1
149.09657	2.3
149.13269	48.1
150.06380	1.6
150.09230	1.7
152.06264	2.3
153.97942	1.3
159.11693	8.2
163.03902	6.7
165.07013	4.4
167.07126	1.5
167.08685	2.9
177.04050	2.7
177.05492	26.4
177.12752	22.9
180.09341	2.3
195.02888	11.3
195.06477	3.8
195.08286	4.6
195.11592	5.9
195.13835	19.2
195.15709	3.2
196.09723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.56401	2.1
53.03950	2.2
55.01865	6.9
55.05310	2.0
55.05520	20.6
57.03436	2.1
57.07075	7.9
67.05504	14.0
69.03425	2.5
69.07071	33.8
70.68604	6.4
70.68956	2.4
71.04991	4.6
71.08614	3.6
79.05502	15.6
79.61143	2.5
81.03407	2.6
81.07058	46.2
82.12532	2.1
83.04978	5.7
83.08624	21.3
84.31812	2.2
85.06538	2.9
89.03922	4.0
89.06020	6.4
91.05491	6.1
92.95304	2.2
93.07044	24.4
95.04973	1.9
95.08616	83.1
97.00552	2.7
97.06533	3.2
97.10180	9.9
99.08068	8.0
103.05487	2.3
105.07012	7.4
107.08601	57.0
109.06439	2.3
109.10168	17.5
111.08058	3.4
113.09606	12.0
117.03374	9.8
119.08585	4.2
121.06529	3.6
121.10152	69.9
121.11043	3.4
123.11745	2.3
125.09655	7.0
133.08519	2.2
135.04391	3.0
135.11697	15.1
137.13289	16.2
139.11174	5.6
143.50758	2.1
145.02875	12.3
149.05962	8.5
149.13263	7.8
150.09171	3.0
163.03934	4.5
165.06990	6.3
177.05476	21.0
177.10220	2.6
177.16400	100.0
180.09352	4.0
195.03000	12.3
195.06560	3.4
195.08195	3.6
195.11736	10.8
195.13666	3.3
195.15746	5.2
195.17464	14.8
196.17010	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	197.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01880	4.2
55.05506	0.6
55.93531	0.8
56.96569	12.6
57.02290	0.4
57.03441	6.8
58.99868	3.2
61.02933	11.4
66.01379	0.4
68.98296	0.5
68.99805	1.2
69.03434	2.6
69.07079	1.2
70.21127	1.1
70.95869	11.6
70.98127	5.5
70.99866	7.2
71.01368	0.8
71.05001	1.0
71.95281	2.0
72.93796	8.0
72.96058	0.7
73.01424	0.9
73.02925	4.8
75.04501	1.0
77.00911	1.8
80.02943	0.5
81.03444	0.6
82.01464	1.2
82.02681	0.8
82.99850	7.3
83.00790	2.6
83.01524	0.8
83.04965	0.5
84.02487	0.5
84.04523	1.0
84.08171	1.1
84.96049	1.1
84.99281	0.7
85.01439	0.9
85.02910	4.8
86.09719	3.2
86.99298	0.7
87.00844	0.9
87.01884	0.6
87.04469	0.8
88.96917	1.4
88.99152	1.6
89.00889	1.9
90.94849	1.6
91.02457	1.6
91.05473	0.6
92.01313	1.2
93.01936	0.7
94.99858	0.5
95.01334	1.0
96.02457	0.9
97.01385	0.9
97.02892	2.6
98.01314	1.1
98.02213	0.6
98.97590	9.5
99.04480	1.2
100.02518	1.4
101.00892	68.1
101.02554	2.0
101.52012	0.7
102.00381	0.4
102.00936	2.4
102.02391	1.5
102.52503	0.7
102.86535	0.4
103.00632	0.9
103.01366	1.0
103.02452	1.4
104.01278	3.0
105.02052	0.4
105.02927	1.0
106.01057	0.5
108.02399	0.9
109.01398	1.0
110.01415	0.5
110.02146	2.7
110.52521	1.5
110.97590	1.5
111.00297	0.6
111.02041	0.6
111.02935	1.4
111.98486	10.8
112.01041	0.6
112.01906	0.6
112.51189	0.5
112.99168	0.4
113.00883	6.6
113.01805	4.9
113.02446	0.9
113.96390	2.7
114.02443	0.6
114.03397	0.8
114.04122	0.5
114.94847	1.1
115.00654	0.9
115.01395	1.5
115.02442	3.9
116.01331	0.8
116.02157	2.7
116.98636	3.3
117.02016	0.9
117.02975	1.5
117.03974	0.9
118.01051	1.6
118.01897	0.7
118.03584	0.6
119.01929	100.0
120.01971	2.2
121.01567	1.7
122.02303	4.9
123.02951	1.1
123.04441	0.6
124.01874	3.3
124.51967	0.7
124.95472	3.8
125.01843	0.6
125.02666	2.3
126.98802	4.2
127.01552	0.4
127.02428	1.2
127.03968	1.5
127.98876	0.9
128.02272	0.5
128.98625	3.1
129.00223	0.5
129.02986	0.5
129.03954	1.1
129.99539	3.1
130.01079	0.4
130.01912	1.9
131.01904	13.4
131.02708	6.1
131.52766	1.3
132.00749	1.0
132.02045	0.5
132.05069	0.9
132.10179	0.6
132.95844	26.4
133.01550	0.9
133.02426	1.6
133.03476	5.9
133.04213	0.7
134.03546	0.9
134.99675	0.7
135.03195	0.8
136.01808	0.7
137.02943	9.6
137.05981	1.2
138.03415	0.6
139.02397	2.7
140.03221	3.8
140.53331	0.9
140.98624	0.6
141.01292	0.9
142.02914	0.6
142.96523	3.7
143.00209	0.7
143.01811	2.1
144.03481	0.7
144.99837	8.6
145.01526	0.7
145.03444	3.2
145.52440	0.6
146.03197	2.1
146.99644	4.5
147.01390	1.0
147.04008	0.7
147.05052	0.9
148.02992	0.9
149.02809	2.9
150.01796	1.4
150.03105	0.6
150.96901	19.6
152.03233	2.8
152.04337	0.6
152.07097	0.8
154.02953	0.7
154.96593	0.5
154.98271	0.5
155.01897	1.5
155.97429	14.7
156.01959	0.8
156.98157	0.5
157.01500	0.7
157.03500	1.2
158.03113	0.9
158.99667	1.1
159.01392	1.1
159.05083	0.6
160.97618	1.8
161.01257	0.7
161.02979	3.2
163.00848	0.7
163.04568	0.9
165.00731	1.8
167.03764	4.2
168.98235	0.6
168.99835	5.8
169.03516	1.0
170.99808	0.5
171.01398	1.7
171.05011	0.5
172.98007	0.5
172.99356	3.3
173.01248	1.5
173.02914	4.4
173.98448	13.2
174.03136	1.4
174.06209	1.7
174.99146	2.3
175.00917	1.2
175.04529	1.2
176.04337	2.3
177.00914	0.7
177.02448	2.2
179.08153	0.5
185.02971	1.2
187.00908	6.4
187.04654	0.9
189.00748	1.2
189.02466	2.3
190.98763	0.7
191.00400	1.8
191.02339	0.5
191.04025	2.6
192.00584	0.6
192.04079	0.7
192.98097	0.6
193.00208	2.1
197.01100	2.0
197.03015	1.8
197.04669	0.7
201.00800	0.6
201.02455	2.1
203.03978	1.2
205.00232	0.8
205.05609	0.9
207.01794	0.8
215.00311	1.0
215.02161	1.0
215.03989	1.0
215.09488	0.5
217.01996	0.6
219.01683	0.6
219.03493	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01880	4.2
55.05506	0.6
55.93531	0.8
56.96569	12.6
57.02290	0.4
57.03441	6.8
58.99868	3.2
61.02933	11.4
66.01379	0.4
68.98296	0.5
68.99805	1.2
69.03434	2.6
69.07079	1.2
70.21127	1.1
70.95869	11.6
70.98127	5.5
70.99866	7.2
71.01368	0.8
71.05001	1.0
71.95281	2.0
72.93796	8.0
72.96058	0.7
73.01424	0.9
73.02925	4.8
75.04501	1.0
77.00911	1.8
80.02943	0.5
81.03444	0.6
82.01464	1.2
82.02681	0.8
82.99850	7.3
83.00790	2.6
83.01524	0.8
83.04965	0.5
84.02487	0.5
84.04523	1.0
84.08171	1.1
84.96049	1.1
84.99281	0.7
85.01439	0.9
85.02910	4.8
86.09719	3.2
86.99298	0.7
87.00844	0.9
87.01884	0.6
87.04469	0.8
88.96917	1.4
88.99152	1.6
89.00889	1.9
90.94849	1.6
91.02457	1.6
91.05473	0.6
92.01313	1.2
93.01936	0.7
94.99858	0.5
95.01334	1.0
96.02457	0.9
97.01385	0.9
97.02892	2.6
98.01314	1.1
98.02213	0.6
98.97590	9.5
99.04480	1.2
100.02518	1.4
101.00892	68.1
101.02554	2.0
101.52012	0.7
102.00381	0.4
102.00936	2.4
102.02391	1.5
102.52503	0.7
102.86535	0.4
103.00632	0.9
103.01366	1.0
103.02452	1.4
104.01278	3.0
105.02052	0.4
105.02927	1.0
106.01057	0.5
108.02399	0.9
109.01398	1.0
110.01415	0.5
110.02146	2.7
110.52521	1.5
110.97590	1.5
111.00297	0.6
111.02041	0.6
111.02935	1.4
111.98486	10.8
112.01041	0.6
112.01906	0.6
112.51189	0.5
112.99168	0.4
113.00883	6.6
113.01805	4.9
113.02446	0.9
113.96390	2.7
114.02443	0.6
114.03397	0.8
114.04122	0.5
114.94847	1.1
115.00654	0.9
115.01395	1.5
115.02442	3.9
116.01331	0.8
116.02157	2.7
116.98636	3.3
117.02016	0.9
117.02975	1.5
117.03974	0.9
118.01051	1.6
118.01897	0.7
118.03584	0.6
119.01929	100.0
120.01971	2.2
121.01567	1.7
122.02303	4.9
123.02951	1.1
123.04441	0.6
124.01874	3.3
124.51967	0.7
124.95472	3.8
125.01843	0.6
125.02666	2.3
126.98802	4.2
127.01552	0.4
127.02428	1.2
127.03968	1.5
127.98876	0.9
128.02272	0.5
128.98625	3.1
129.00223	0.5
129.02986	0.5
129.03954	1.1
129.99539	3.1
130.01079	0.4
130.01912	1.9
131.01904	13.4
131.02708	6.1
131.52766	1.3
132.00749	1.0
132.02045	0.5
132.05069	0.9
132.10179	0.6
132.95844	26.4
133.01550	0.9
133.02426	1.6
133.03476	5.9
133.04213	0.7
134.03546	0.9
134.99675	0.7
135.03195	0.8
136.01808	0.7
137.02943	9.6
137.05981	1.2
138.03415	0.6
139.02397	2.7
140.03221	3.8
140.53331	0.9
140.98624	0.6
141.01292	0.9
142.02914	0.6
142.96523	3.7
143.00209	0.7
143.01811	2.1
144.03481	0.7
144.99837	8.6
145.01526	0.7
145.03444	3.2
145.52440	0.6
146.03197	2.1
146.99644	4.5
147.01390	1.0
147.04008	0.7
147.05052	0.9
148.02992	0.9
149.02809	2.9
150.01796	1.4
150.03105	0.6
150.96901	19.6
152.03233	2.8
152.04337	0.6
152.07097	0.8
154.02953	0.7
154.96593	0.5
154.98271	0.5
155.01897	1.5
155.97429	14.7
156.01959	0.8
156.98157	0.5
157.01500	0.7
157.03500	1.2
158.03113	0.9
158.99667	1.1
159.01392	1.1
159.05083	0.6
160.97618	1.8
161.01257	0.7
161.02979	3.2
163.00848	0.7
163.04568	0.9
165.00731	1.8
167.03764	4.2
168.98235	0.6
168.99835	5.8
169.03516	1.0
170.99808	0.5
171.01398	1.7
171.05011	0.5
172.98007	0.5
172.99356	3.3
173.01248	1.5
173.02914	4.4
173.98448	13.2
174.03136	1.4
174.06209	1.7
174.99146	2.3
175.00917	1.2
175.04529	1.2
176.04337	2.3
177.00914	0.7
177.02448	2.2
179.08153	0.5
185.02971	1.2
187.00908	6.4
187.04654	0.9
189.00748	1.2
189.02466	2.3
190.98763	0.7
191.00400	1.8
191.02339	0.5
191.04025	2.6
192.00584	0.6
192.04079	0.7
192.98097	0.6
193.00208	2.1
197.01100	2.0
197.03015	1.8
197.04669	0.7
201.00800	0.6
201.02455	2.1
203.03978	1.2
205.00232	0.8
205.05609	0.9
207.01794	0.8
215.00311	1.0
215.02161	1.0
215.03989	1.0
215.09488	0.5
217.01996	0.6
219.01683	0.6
219.03493	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.28378	0.3
53.03942	0.6
55.01883	1.9
65.03949	2.0
67.05506	2.3
70.95866	3.0
72.34963	0.3
72.93785	1.5
73.02923	19.5
81.03397	0.3
81.07078	0.4
85.02911	0.4
88.96898	0.4
91.05498	2.6
93.03408	1.8
95.04969	1.2
98.21505	1.2
105.04491	0.4
107.08601	0.6
108.02077	1.9
110.03648	2.6
111.04434	1.2
111.98483	3.0
112.01570	0.4
113.88786	0.3
119.04952	1.8
121.03998	0.4
125.06001	13.6
129.99538	0.8
132.95853	6.0
136.01598	0.5
137.05989	1.3
141.05487	1.9
147.04387	0.4
149.06003	2.4
150.96918	3.3
151.03922	100.0
151.05034	10.6
151.07385	3.0
152.04268	1.3
155.97430	3.3
173.98544	3.1
179.07042	17.6
197.08099	5.9
197.11734	0.4
198.18587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03950	0.5
55.01867	2.3
57.02137	0.3
62.30115	0.3
65.03939	2.5
67.05493	1.5
70.65896	0.8
70.95870	0.8
72.93798	0.3
73.02921	20.1
91.05474	2.3
91.95839	0.3
93.03408	1.2
95.04949	1.4
107.04945	0.4
108.02106	2.5
109.02843	0.3
110.03678	3.0
111.04451	1.3
111.98478	0.6
119.04983	2.1
123.04341	0.3
125.05999	15.4
132.95854	1.7
136.01556	0.5
137.05980	0.8
141.05473	1.9
147.04402	0.4
149.05989	3.1
150.96910	0.7
151.03914	100.0
151.05016	9.0
151.07408	3.2
152.04286	1.1
152.54189	0.3
155.97406	0.7
173.98579	0.4
179.07034	18.8
197.08101	5.0
198.18513	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
52.06327	1.2
53.03947	2.8
55.01864	3.7
55.05309	1.0
55.05510	11.3
56.55304	1.1
57.03424	1.3
57.07082	1.7
59.04981	2.3
67.05500	6.8
69.03425	2.1
69.07059	2.3
70.06571	1.3
70.95865	10.9
71.04986	2.0
71.35368	2.3
72.93786	3.9
73.02910	4.0
79.05497	10.2
79.24969	1.3
79.72621	1.3
81.07059	13.3
83.04962	1.5
83.08564	1.5
91.05479	23.7
93.07048	23.3
93.18562	1.1
95.04971	7.5
95.08597	5.5
97.06521	4.5
99.04460	3.4
105.03371	2.6
105.07029	33.1
107.08594	76.8
109.06533	11.3
109.10164	8.1
110.98490	1.4
111.04401	1.5
111.98482	12.2
113.96384	1.6
117.06983	1.7
119.04916	3.5
119.08605	7.8
121.06525	6.8
121.10125	2.7
123.04388	4.6
123.08088	2.2
123.11736	3.4
124.87411	1.1
125.06000	32.5
127.03910	11.4
129.99516	3.2
131.08542	3.3
132.95839	22.1
133.10130	70.3
135.08028	2.9
135.11685	51.0
137.05974	31.7
137.09596	6.2
141.05504	1.3
143.08565	2.7
146.07391	1.5
147.80893	1.3
150.96889	13.7
151.03925	15.4
151.05042	2.1
151.07524	1.7
151.11174	7.5
155.97435	14.9
161.09616	37.7
167.08537	1.9
167.10634	2.8
169.10098	1.6
173.98517	10.7
179.07104	2.9
179.10670	100.0
197.06036	2.0
197.07993	3.7
197.11720	63.9
197.13187	3.0
198.18520	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03941	1.4
55.01858	1.9
55.05504	3.3
57.03434	1.1
59.04991	3.2
59.32841	0.8
59.49180	0.8
65.03925	1.0
65.84721	0.8
67.05518	5.3
68.60166	0.9
69.03423	1.2
69.07066	1.7
69.92706	2.1
69.93110	2.4
70.95863	6.5
71.01350	0.9
71.04988	1.1
72.93781	3.8
73.02906	1.9
77.03949	0.9
79.05497	6.5
81.07057	8.7
83.04963	1.6
83.08561	0.9
85.06538	1.1
88.96932	0.9
91.05480	22.7
93.07045	25.7
95.04973	7.8
95.08623	4.2
95.85467	0.9
97.06546	1.3
98.21466	1.1
99.04438	1.3
101.44116	0.8
105.03419	1.3
105.04522	0.8
105.07037	32.7
105.91739	0.9
107.04967	1.1
107.08599	75.3
109.06521	8.7
109.10165	6.3
111.08101	1.4
111.98448	4.8
117.06993	1.2
118.07902	1.0
119.04929	2.6
119.06031	2.1
119.08587	8.8
121.06494	8.2
121.10138	1.4
123.04438	5.2
123.08079	1.5
123.11729	3.7
125.06003	2.1
127.03901	1.4
129.99522	1.4
131.08592	3.1
132.95840	11.8
133.02844	2.9
133.10138	71.7
135.08089	1.6
135.11700	57.5
137.05981	9.5
137.09613	4.5
143.08545	2.1
146.07225	1.4
150.96902	9.1
151.03923	3.9
151.11191	6.4
153.07008	0.9
155.97424	7.0
161.09628	35.1
161.10963	1.9
165.05457	2.5
167.08582	1.4
169.13455	1.0
173.98518	6.9
179.10683	100.0
182.10892	1.1
197.06006	1.5
197.11740	73.9
197.13202	3.3
198.18520	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	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03968	1.5
55.01859	2.6
55.05502	4.8
57.07067	2.4
59.04985	3.0
67.05493	7.7
68.99751	1.3
69.07047	2.1
70.06574	2.5
70.95867	11.5
72.93769	3.4
73.02914	1.9
79.05497	7.0
81.07057	8.3
83.04966	2.0
84.08144	2.5
85.06549	1.9
91.05487	24.3
93.06486	1.9
93.07047	28.3
95.04969	12.7
95.08588	4.5
97.06509	2.1
99.04424	1.4
105.03380	1.4
105.04556	1.2
105.07033	31.0
107.08596	74.1
109.06511	7.7
109.10183	7.2
111.08086	2.2
111.98473	10.3
113.06062	1.5
117.07033	1.8
119.04922	3.5
119.06060	2.4
119.08577	11.0
121.06520	7.1
121.10165	1.8
123.04419	4.9
123.08063	1.9
123.11691	4.2
125.05986	9.6
127.03889	2.0
129.99503	2.8
131.08577	3.2
132.95839	23.8
133.06584	1.6
133.10132	77.0
135.11691	53.6
137.05991	10.4
137.09604	6.4
142.12552	1.6
146.07281	2.1
147.49994	1.1
150.96890	14.5
151.03922	13.8
151.11183	5.5
155.97433	14.2
161.09631	36.0
173.98476	14.6
179.07202	2.5
179.10677	100.0
197.11729	62.3
198.18555	7.1
208.40636	1.5
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	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01878	5.7
55.05271	1.4
55.05514	21.9
55.87723	1.0
55.93518	1.5
56.35706	1.0
57.03433	2.3
57.07071	1.0
63.25143	1.0
65.03928	1.7
67.05495	3.2
69.03423	4.9
69.07057	3.1
69.57224	6.1
69.57635	1.6
70.06578	2.4
70.95869	19.1
71.01353	1.6
71.04987	1.5
72.93787	10.4
73.02905	4.8
79.05487	5.2
81.07058	19.1
83.04954	1.8
84.04499	1.9
84.08141	3.5
86.09711	1.6
88.96930	1.5
90.94823	2.0
91.05499	6.1
93.07029	4.4
95.04977	3.9
95.08616	2.4
97.06536	9.0
99.04465	10.4
105.03389	1.6
105.07022	5.8
107.04976	1.4
107.08586	8.8
109.06529	10.3
109.10131	2.7
111.04436	3.3
111.08102	1.3
111.98474	16.8
113.06042	1.4
113.96393	2.1
114.94772	1.6
119.04981	1.5
119.08604	2.8
121.06470	1.3
123.08065	1.7
123.11704	1.2
125.05998	100.0
126.06331	1.4
127.03925	33.6
129.99509	4.7
131.08495	1.4
132.95842	37.0
133.10124	10.6
135.11691	3.8
137.05983	77.6
137.09547	2.7
141.06993	2.1
143.08548	1.8
150.96895	33.8
151.03902	20.1
151.04985	2.0
151.07549	3.0
151.11221	2.6
155.96237	1.9
155.97433	23.9
161.09650	11.2
163.03876	1.4
165.05505	1.4
169.10034	1.3
173.98495	21.3
179.07045	4.7
179.10669	14.1
182.05756	2.8
197.06044	1.6
197.08057	5.1
197.10008	1.6
197.11714	10.6
197.13234	2.5
198.18542	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
51.67402	1.0
55.01858	1.6
55.05517	2.3
57.03444	2.0
59.04985	1.0
59.43923	0.9
60.12737	1.0
61.02925	2.2
61.81587	1.0
65.03928	1.5
66.21107	0.8
67.05499	3.2
69.03429	2.9
70.85775	1.0
70.86093	2.1
70.95869	7.4
72.93777	3.8
73.02903	2.7
77.03918	0.9
79.05504	8.0
81.07059	7.8
83.04965	1.5
91.04975	1.4
91.05492	15.6
93.07053	14.1
94.04209	1.0
95.04939	1.7
95.08607	3.6
95.72542	0.9
97.06547	1.8
98.97611	1.1
105.07040	30.3
107.05005	1.0
107.08604	100.0
109.06505	4.2
109.10162	3.9
109.49099	0.9
111.98498	6.0
113.96391	0.9
119.04953	1.4
119.06101	1.7
119.08592	13.0
121.06513	2.5
121.10152	10.9
123.08049	2.1
123.11699	2.9
125.05956	1.7
129.99553	1.8
131.08557	3.3
132.95851	13.1
133.10143	58.2
135.11694	4.5
137.05992	5.8
137.09598	2.7
139.07529	3.5
146.07231	1.2
149.09660	9.6
150.96928	8.0
151.03923	8.3
151.07538	3.0
151.11195	17.4
155.97450	8.5
161.09639	16.1
167.10704	22.8
173.98509	7.3
179.07048	1.9
179.10686	29.9
197.03281	1.3
197.08104	1.6
197.11737	48.6
197.13145	1.8
198.18547	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	199.133
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.61149	1.4
53.92247	1.5
55.01865	5.5
55.05517	22.9
57.07078	10.0
67.05497	4.7
69.07056	4.5
69.83777	6.7
72.04521	1.7
74.09736	8.8
79.05487	3.5
81.07056	5.5
83.04989	10.5
83.08622	2.4
85.06544	5.1
91.05468	3.4
93.07048	11.0
95.08617	8.7
97.06515	5.3
100.07635	2.6
103.05487	1.4
105.07040	7.1
107.08599	19.3
109.06521	2.2
109.10146	3.1
111.04451	100.0
111.08037	3.7
115.05447	5.5
116.97220	4.7
117.07016	2.0
119.08606	2.6
121.06582	3.7
121.07561	1.6
121.10152	1.7
125.06010	23.0
127.07579	3.1
128.06235	26.3
129.07024	10.0
130.07785	1.9
134.95888	1.8
135.08069	16.7
135.11702	14.4
137.13280	2.3
139.07574	3.5
141.07001	7.4
142.07761	5.5
143.08553	14.7
145.10130	13.7
152.06230	5.2
153.07011	18.0
153.12741	2.5
155.08510	1.8
156.05713	3.5
156.09377	1.8
157.06464	2.8
157.10210	7.4
163.11206	17.9
164.07422	1.5
170.07283	2.9
171.08057	12.1
175.98547	2.6
181.06482	10.3
181.12233	23.3
184.05217	4.5
190.16005	1.4
199.03864	2.4
199.07556	21.7
199.11124	5.3
199.14882	8.4
199.18922	38.9
202.50249	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
56.94307	0.9
56.96568	14.6
57.03440	1.7
58.99837	0.9
69.03434	1.8
70.06590	4.3
70.31415	2.9
70.95858	1.7
71.95258	3.5
72.08155	2.6
72.93813	2.2
73.02923	2.0
76.64056	0.8
81.03368	1.2
82.01478	1.0
83.25415	0.9
84.04504	3.3
84.08143	3.3
84.96053	1.4
85.02900	3.6
86.09695	2.3
91.73248	0.8
91.96087	0.9
97.02893	2.3
98.97590	100.0
101.00912	1.8
110.01289	2.3
110.97599	3.8
113.96344	1.1
116.98631	34.3
119.01883	3.8
122.11355	0.9
124.99216	1.0
127.03920	1.0
128.98647	2.7
129.10255	1.3
131.01891	1.7
132.66231	0.9
132.95808	1.9
134.99689	8.3
140.00192	2.4
144.99861	1.1
149.02924	1.0
150.96942	0.9
158.01276	2.5
158.99667	4.1
161.02808	1.2
168.01392	1.9
170.99583	1.3
175.11899	1.9
177.00745	4.3
177.02463	3.8
182.04553	1.5
188.05936	1.5
189.00679	1.9
197.06505	1.2
200.04073	2.6
201.00722	1.6
201.02477	1.0
206.07030	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1276
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
53.03938	1.1
55.01867	1.0
55.05517	3.8
57.03440	0.9
57.07073	2.8
67.05183	1.0
67.05510	8.6
69.03414	2.4
69.07070	8.8
69.55304	0.7
70.06596	1.3
71.04993	1.1
71.08640	1.3
79.05494	7.2
81.03416	0.9
81.07056	14.3
81.55443	0.8
83.08608	1.4
84.08140	1.0
85.02901	1.4
85.06531	0.9
86.09707	5.6
88.04003	1.7
91.05482	15.6
93.07052	13.5
95.04979	2.8
95.08607	10.5
96.08139	1.0
97.02924	0.8
102.04691	1.1
103.05439	1.0
105.07035	26.1
107.08611	11.3
109.06513	2.1
109.10168	4.2
110.09649	0.8
111.04502	0.9
113.02370	2.0
115.05412	6.2
116.06199	2.1
117.07028	17.9
118.96754	2.8
119.08591	24.3
121.06511	2.2
121.10170	6.2
123.11706	2.8
127.03946	1.1
128.06229	5.6
129.07018	11.0
130.04137	1.2
130.07814	6.4
130.36411	0.8
131.08572	55.8
133.10132	38.7
141.01839	1.9
141.07027	4.4
141.10211	1.5
142.07761	3.6
143.08566	36.5
144.05733	1.4
144.09337	10.8
145.06491	6.3
145.10130	74.8
146.10887	1.2
147.08087	1.1
147.11691	1.9
153.07053	2.4
155.08575	2.7
156.09216	1.5
156.10298	1.8
157.06493	1.7
157.10143	10.4
158.03622	3.0
158.07272	4.7
158.10912	41.7
159.08092	11.9
159.11705	47.2
161.09528	0.9
165.12723	1.0
168.09352	2.9
169.06461	1.3
171.08054	11.0
171.11713	4.5
172.08855	11.5
172.12502	2.4
173.06036	3.3
173.09686	11.8
173.13266	100.0
174.13580	1.7
177.98035	1.4
183.11671	4.5
184.09785	0.8
185.09665	1.9
186.03055	1.0
186.10414	37.9
186.13945	1.3
187.10751	0.9
197.93623	0.9
201.05389	9.4
201.09116	5.3
201.12746	67.4
201.16388	54.6
202.10706	0.8
202.13118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
53.03949	1.5
55.05510	2.9
57.07080	2.1
62.58779	0.7
67.05502	7.2
68.20355	0.8
69.07075	3.9
69.70316	3.7
71.08632	3.3
72.23264	0.6
79.05492	6.9
81.07056	16.7
83.08621	1.2
86.09722	0.9
91.05476	11.7
93.07047	15.3
93.07637	0.9
95.04957	1.1
95.08613	15.8
98.20860	1.4
102.04739	0.7
103.05453	0.8
105.06311	1.2
105.07032	25.5
107.08599	20.0
109.10171	5.4
115.05476	2.8
116.06274	1.1
117.07027	10.9
119.08584	15.8
121.10143	10.3
128.06268	1.8
129.07019	4.5
130.04132	1.1
130.07787	6.9
131.08578	34.5
133.10147	8.9
137.15932	0.8
140.78345	0.7
141.07031	1.4
142.07826	1.0
143.08575	3.9
144.09338	4.7
145.10130	100.0
146.10928	5.2
147.11678	0.9
157.10144	4.9
158.03664	2.0
158.10913	3.5
159.11694	53.8
160.12256	1.2
171.11746	2.4
172.12517	1.3
173.05945	4.0
173.13286	15.3
186.03098	1.1
186.14050	1.3
189.79082	0.7
199.14801	1.1
201.05423	8.8
201.09167	2.4
201.16385	80.8
202.16789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59379	1.9
69.94365	8.8
82.99849	5.4
101.00893	49.4
102.00922	2.2
107.79062	1.9
114.95650	2.7
119.01933	100.0
120.02054	3.8
124.02460	6.8
137.02954	19.5
140.00839	2.3
142.03508	36.3
155.41621	2.1
156.01515	2.1
160.04579	7.8
161.02963	32.6
179.04051	34.4
184.04604	5.2
202.05644	8.4
202.10812	3.4
202.78969	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.034
Annotation	Xanthotoxol
Peak:m/z	Relative Intensity
51.02402	0.5
53.03952	0.7
55.05518	1.4
57.07089	0.4
60.04520	0.8
60.07316	0.3
60.13980	0.3
62.16140	0.3
65.03947	0.8
67.05505	3.2
69.07070	2.0
69.79280	1.1
71.35249	0.3
73.13151	0.4
77.03947	0.4
79.05494	1.2
81.07054	5.0
83.08624	0.5
84.04498	0.3
88.09269	0.3
91.04639	0.3
91.05485	7.3
93.07043	2.5
95.04982	0.5
95.08614	9.0
97.02885	0.4
98.20893	0.3
98.21444	0.7
102.04667	0.4
103.05470	2.2
105.03414	0.6
105.04539	0.3
105.07038	6.8
107.04954	0.4
107.08592	4.1
109.10162	8.2
115.05452	1.9
117.07016	1.2
119.04969	1.4
119.08585	5.9
121.10149	1.8
123.11732	1.4
128.06239	0.8
129.03372	3.1
129.06973	0.6
131.04935	11.9
131.08591	0.7
132.05705	0.5
133.02866	0.5
133.06503	0.6
133.10123	5.3
135.11754	0.6
142.07784	0.4
143.04965	1.6
143.08577	0.8
145.06540	0.6
145.10132	1.2
147.04414	58.8
147.11679	8.5
148.04739	0.7
157.02876	0.7
157.06429	0.4
157.10097	0.4
159.04417	4.4
159.11705	0.5
160.05214	0.8
161.05931	0.4
161.13243	3.0
171.04530	0.3
175.03912	15.0
175.07454	1.6
175.11162	0.3
175.14787	0.8
185.02335	1.0
185.05992	0.4
185.13287	0.5
188.04706	0.7
188.08342	0.6
203.03398	100.0
203.07126	2.4
203.10544	1.9
203.14336	1.4
203.17949	12.2
204.03749	1.9
204.08771	0.4
204.13834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.5
58.99862	0.9
60.04515	1.0
68.16109	0.6
69.82187	0.5
70.22185	1.7
73.02945	0.7
77.48863	0.5
80.19041	0.6
82.99845	2.4
83.99918	0.7
85.02882	1.0
90.02076	0.5
91.04381	0.6
97.02917	0.7
98.97572	3.8
100.02479	1.5
101.00883	34.3
101.26312	0.5
102.00954	5.3
102.96885	1.1
103.00639	1.8
103.02423	0.7
111.96712	0.7
113.00868	1.6
116.98609	1.7
118.03528	0.7
119.01925	100.0
119.08528	0.8
120.02015	17.5
120.96524	1.3
121.01653	4.7
121.02361	0.6
131.01923	3.4
133.03415	1.0
134.99716	0.8
137.02965	23.9
138.03065	4.2
138.95346	0.6
138.96410	1.0
139.02534	1.0
142.03485	3.0
143.01897	5.5
143.03592	6.4
145.03445	1.3
155.01851	1.2
156.97498	3.4
157.03474	7.2
160.04608	0.9
160.43732	0.6
161.02974	25.9
161.04596	2.1
161.97903	0.7
162.03050	4.6
162.04214	0.7
163.02664	1.0
173.02977	1.6
174.98599	2.0
175.04533	1.9
179.00781	1.2
179.04024	20.4
179.05595	1.0
179.97726	0.9
179.99222	4.3
180.03961	5.7
181.03806	1.0
185.02974	1.9
191.04036	1.4
198.00194	2.2
203.00645	0.8
203.02321	1.1
203.04025	2.8
203.05695	1.0
203.14407	0.6
221.01715	4.9
221.05057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41534	2.0
65.36204	1.8
68.93423	2.1
69.53481	13.1
69.53876	4.5
69.88979	2.1
73.02922	2.1
77.61233	1.9
85.02886	2.4
86.09708	7.9
119.01868	2.6
143.01921	2.5
161.03059	2.3
203.05280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0704
Annotation	Setarin
Peak:m/z	Relative Intensity
53.91997	0.4
55.05502	1.4
57.07060	1.4
65.03920	1.2
67.05492	1.4
69.07093	2.4
71.51340	0.7
71.51727	0.8
79.05482	1.8
81.07058	6.4
83.08579	0.9
84.04491	0.5
91.05487	15.3
93.07049	2.7
95.08615	4.8
96.04489	1.2
97.02917	0.6
105.07038	8.7
107.04959	19.8
107.08613	2.5
109.10173	3.7
115.05479	0.6
116.06250	0.7
117.06998	0.9
118.04175	9.7
119.04951	27.3
119.08598	6.9
121.10150	2.0
123.11745	0.6
126.05519	1.0
127.18158	0.5
128.06192	0.6
129.07016	1.2
131.04929	1.0
131.08559	1.5
133.02866	0.6
133.10144	6.0
135.04424	1.5
135.11629	0.6
145.10088	1.8
147.04430	2.6
147.08011	1.1
147.11690	10.1
157.10158	1.0
159.08047	4.3
160.12483	0.6
161.09560	0.7
161.13257	2.3
163.03914	40.2
170.10991	0.6
175.03990	0.6
175.07501	0.9
175.11136	0.6
175.14873	1.2
178.02617	0.9
185.09854	0.6
203.03319	2.1
203.07040	100.0
203.10806	2.1
203.14351	3.0
203.17957	11.0
204.07373	0.7
217.65437	0.5
218.70157	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	203.1432
Annotation	Penidienone
Peak:m/z	Relative Intensity
53.03949	3.6
53.83871	1.1
55.05515	11.7
56.96568	1.2
57.07081	1.6
59.04974	1.5
60.04530	12.5
60.30960	1.2
67.05511	18.2
68.05035	3.0
68.79909	1.1
69.03416	1.4
69.07071	8.3
71.04994	14.2
71.31744	1.9
79.05499	16.5
79.21666	1.2
81.03429	1.4
81.06596	2.3
81.07060	45.0
83.01311	1.1
83.04971	1.3
83.08603	2.7
84.04506	7.8
85.02878	1.7
86.09694	2.5
91.05490	29.5
93.06498	1.3
93.07054	30.6
95.04983	14.3
95.08617	40.4
96.04490	5.9
97.02902	6.9
97.06534	6.2
103.05453	3.4
105.07040	77.5
107.04950	1.4
107.08604	31.5
109.06526	19.2
109.10168	17.1
110.06042	1.5
111.08083	5.1
114.05524	4.8
115.05446	4.0
116.06285	1.3
117.07034	27.9
119.04929	1.7
119.08590	67.4
120.96516	1.7
121.06521	7.4
121.10143	13.7
123.08110	5.7
123.11709	4.3
126.05505	7.2
128.06221	10.4
129.07024	13.8
130.07797	12.2
131.08588	19.2
133.06534	2.5
133.10149	37.9
134.96194	1.4
135.08064	2.5
135.11668	3.8
138.05435	1.6
141.06993	1.9
142.07791	9.3
143.08572	35.1
144.09360	6.6
145.10138	100.0
146.10785	1.4
147.04419	6.7
147.08061	7.7
147.11699	33.9
155.08536	4.3
156.09349	3.8
157.06502	1.3
157.10141	25.2
159.11710	41.4
160.08871	1.4
160.12433	4.7
161.09634	17.8
161.13268	40.8
162.13641	1.5
168.06541	1.5
170.10909	6.6
175.07478	1.9
175.11157	9.8
175.14821	5.6
185.09810	2.1
185.13271	26.9
188.08359	2.4
189.11432	1.9
203.03400	11.1
203.08446	2.3
203.10469	3.2
203.14322	75.5
203.17960	53.7
204.08626	7.0
204.13741	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	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03940	2.6
54.52501	1.0
54.70867	0.8
55.05513	12.1
57.07070	2.8
59.14865	0.8
60.04522	2.9
65.03934	1.6
67.05509	30.1
69.03397	1.0
69.07070	21.6
69.65668	3.4
69.66093	1.9
71.04991	0.8
71.13174	0.8
79.05492	8.8
81.07063	48.4
83.08636	5.2
84.04527	1.8
85.02923	1.8
91.05492	17.9
93.07052	20.7
95.04973	1.4
95.08614	67.5
96.04506	1.0
97.02853	1.2
97.10169	2.0
98.21362	1.8
102.74642	0.9
103.05492	1.2
105.07041	66.6
106.07383	1.0
107.05006	2.1
107.08603	31.4
109.06551	1.1
109.10167	64.5
110.28738	0.8
115.05469	6.2
117.07014	4.1
119.08588	62.3
121.10151	20.2
123.11724	9.0
126.05516	1.9
128.06226	3.3
129.07031	2.6
131.04927	1.5
131.08580	6.2
132.05690	2.1
133.10143	45.4
135.11717	6.8
137.44341	0.8
142.07780	1.3
143.04906	3.0
143.08580	5.4
145.06496	2.2
145.10124	11.6
146.10938	1.2
147.04399	0.9
147.08061	2.7
147.11699	78.4
148.12024	1.1
157.10139	3.3
159.11716	5.1
160.05211	5.5
160.12459	3.5
161.05807	1.2
161.09639	2.4
161.13263	23.7
162.13690	0.9
171.04401	2.4
171.08075	1.4
173.13336	1.2
175.03966	1.1
175.07576	8.3
175.11169	1.7
175.14848	7.8
183.39865	0.9
185.06033	1.4
185.13258	2.9
188.04701	4.2
203.03290	2.1
203.07002	13.8
203.08904	1.2
203.10510	5.1
203.14415	7.6
203.17970	100.0
204.08749	1.3
204.13864	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	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
50.17180	1.0
53.03945	2.0
55.05515	10.3
57.07077	2.6
60.04519	7.5
67.05242	1.1
67.05514	12.5
68.05020	3.7
69.03439	1.6
69.06728	1.6
69.07072	20.6
69.39969	7.2
79.05505	9.1
81.07065	68.0
83.08615	7.0
84.04523	5.3
91.05487	15.6
93.07054	18.8
95.04958	1.1
95.08618	37.1
96.04510	5.0
97.02887	6.1
97.10183	1.6
97.50021	1.0
98.06070	1.2
102.80230	1.0
105.07043	64.4
107.08601	19.9
109.10164	29.9
114.05521	2.5
115.05487	1.3
115.38323	1.0
117.07019	3.2
119.08595	47.5
121.10153	18.6
123.11734	6.3
126.05535	7.0
127.09586	1.0
129.07016	1.4
131.08609	7.8
133.10149	52.3
135.11694	5.3
138.05533	1.3
142.07741	1.6
143.08629	1.5
145.10136	15.7
147.04401	2.0
147.11703	100.0
157.10107	1.8
159.11703	6.3
160.12479	9.1
161.09662	1.5
161.13283	24.5
167.01643	1.0
173.13205	1.1
175.11128	1.3
175.14828	4.7
185.09793	1.6
188.08267	1.2
203.03406	3.6
203.08336	1.7
203.10774	4.2
203.14349	4.3
203.17975	95.2
204.08679	3.7
204.13861	6.2
204.18266	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03946	1.9
55.05514	12.1
56.84280	1.0
57.07064	3.8
60.04524	2.1
67.05510	38.9
68.73630	1.0
69.06733	1.5
69.07075	20.9
70.79211	1.4
70.79548	1.7
79.05501	10.3
80.16215	1.3
81.07064	53.8
83.08611	5.8
87.81882	1.1
91.05492	18.0
93.07053	20.6
95.08612	79.4
95.77186	1.1
97.10163	2.0
103.05459	2.0
105.07040	62.4
107.08604	32.0
109.10164	81.3
115.05457	3.8
117.06998	3.9
119.08587	61.0
121.10159	19.7
123.11717	9.3
128.06201	2.3
129.07007	1.8
131.08586	5.0
132.05685	1.3
132.09454	1.3
133.10139	43.6
135.11722	8.8
143.04973	1.8
143.08595	4.6
145.06491	1.3
145.10130	10.1
147.11696	84.3
157.10088	2.7
159.11676	4.5
159.22961	1.1
160.05212	3.0
160.12474	3.7
161.09651	1.8
161.13275	23.9
175.07579	4.2
175.14839	8.8
185.06046	1.1
185.13321	1.5
188.04691	1.9
201.42209	1.1
203.07011	7.7
203.08804	1.0
203.10674	3.9
203.14320	6.3
203.17972	100.0
204.13898	1.7
204.18265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03939	1.8
55.01862	3.1
55.05516	7.1
67.05508	20.6
68.20447	0.9
69.07087	9.4
69.24284	10.5
77.28197	1.0
79.05489	8.8
81.07064	42.5
83.08617	2.6
91.05480	12.1
93.07047	18.4
95.08614	73.4
97.10143	1.2
105.07040	43.7
107.08602	38.6
109.10166	44.8
115.05424	1.4
117.06992	1.8
119.08590	37.3
121.10153	17.1
123.11723	6.3
131.08577	2.1
133.10143	28.3
135.11700	4.9
145.10123	5.5
147.08073	1.8
147.11700	58.3
159.11696	2.6
160.05200	2.1
160.12584	1.2
161.13260	21.3
172.05170	1.5
175.07536	2.9
175.14871	7.8
185.05971	1.4
188.04660	1.6
203.07053	4.7
203.17970	100.0
204.18289	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	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03950	1.7
55.05513	11.1
57.07071	3.2
60.04530	6.3
62.94401	1.3
64.82587	1.4
65.03948	1.3
67.05183	2.3
67.05508	29.8
69.03421	3.7
69.07064	18.7
69.53432	8.3
70.06574	1.6
73.56653	1.2
79.05495	11.2
81.03448	1.7
81.06591	2.7
81.07056	46.3
83.08610	4.1
84.04517	1.4
85.02872	1.7
91.02166	1.3
91.05491	23.6
93.07042	20.4
95.08609	66.8
96.04493	2.5
97.02892	2.7
97.10178	1.4
100.02199	1.9
103.05457	1.8
105.07031	70.4
107.04945	2.7
107.08589	33.6
109.09389	1.4
109.10159	58.4
115.05447	16.5
117.07028	8.7
119.08585	66.2
121.10147	24.0
123.11752	8.7
126.05486	1.6
128.06219	4.5
129.07008	3.1
131.04939	3.5
131.08568	5.9
132.05710	4.4
133.10133	48.2
135.11688	6.9
142.07816	2.5
143.04895	4.6
143.08560	5.4
144.05696	1.5
145.06459	4.4
145.10138	12.0
147.08066	6.3
147.11690	79.6
148.12485	1.4
157.06439	3.2
157.10138	5.2
159.11646	7.0
160.05180	7.3
160.12477	4.8
161.06004	3.5
161.09642	3.8
161.13261	26.8
171.04417	4.4
171.08107	2.6
172.05194	3.1
173.13217	1.9
174.06821	2.1
174.14122	1.3
175.07556	12.6
175.11086	1.4
175.14824	9.5
182.30469	1.4
185.05988	1.6
185.13289	2.6
188.04691	6.0
188.08272	6.5
203.05136	1.5
203.06985	22.5
203.08748	2.3
203.10558	11.8
203.14343	10.4
203.17964	100.0
204.13985	3.0
204.18306	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.01869	1.6
55.05512	11.1
57.07065	2.0
60.04506	2.0
62.88413	1.0
64.91426	1.1
67.05182	1.6
67.05506	24.7
69.07064	13.4
69.40469	5.8
69.40879	2.2
71.05000	1.9
77.58485	1.1
79.05485	10.3
81.07056	47.5
81.07532	2.7
83.04967	1.9
83.08614	4.6
91.05482	18.8
92.74384	1.2
93.07042	22.5
95.05006	1.6
95.08608	74.9
97.02892	1.4
97.08267	1.2
97.10146	2.2
98.97581	5.1
105.07034	61.3
105.56597	1.0
107.08601	37.3
109.06488	2.2
109.10159	55.0
115.05450	4.6
116.98615	1.2
117.07037	3.5
119.08583	51.3
121.10147	18.7
123.11716	8.0
128.06223	3.5
129.06964	2.7
131.04977	1.2
131.08569	5.8
132.05708	1.3
133.06511	1.2
133.10136	38.2
135.11690	4.8
142.07770	3.1
143.04901	2.6
143.08557	7.1
145.06519	3.2
145.10132	6.1
147.04362	1.2
147.08051	2.6
147.11688	66.1
148.12143	1.3
157.06488	1.5
157.10139	3.2
159.11702	4.4
160.05208	4.9
160.12495	3.5
161.09605	10.6
161.13255	19.0
171.04366	1.6
174.14154	1.2
175.07573	5.8
175.08894	1.1
175.11180	1.9
175.14850	8.2
185.09634	1.1
188.04724	3.1
193.52606	1.1
203.03185	1.4
203.06987	11.7
203.10707	6.2
203.14500	8.4
203.17961	100.0
204.13852	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	204.0657
Annotation	Doryanine
Peak:m/z	Relative Intensity
53.07779	0.2
60.04529	1.2
68.05041	0.2
69.38088	0.4
69.38512	0.9
79.05476	0.2
81.07072	0.2
84.04495	0.4
85.02868	0.2
87.00695	0.5
89.03902	1.2
96.04488	0.5
97.02868	0.5
98.09734	0.3
114.05505	0.2
115.03835	0.2
115.05452	0.3
116.04988	3.3
117.07027	0.3
126.05524	0.6
134.05991	0.2
144.04446	3.7
145.06499	0.5
158.55084	0.2
162.05508	100.0
163.05861	1.5
164.06000	0.2
173.05908	0.4
185.07117	0.3
190.04997	14.8
191.05339	0.3
204.06570	27.5
204.13828	0.9
205.06929	0.5
219.79182	0.2
224.24037	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01870	3.0
56.05040	3.1
57.03438	3.2
58.56028	2.1
60.04532	51.8
61.02922	8.1
62.07724	2.2
64.37362	1.9
65.03425	2.2
68.05025	10.2
69.03434	7.8
69.07087	2.9
69.98029	9.6
70.06605	4.0
72.04491	2.4
72.08152	2.2
78.45547	2.0
79.05499	3.8
81.03416	7.3
84.03996	2.8
84.04510	57.3
84.08115	5.2
85.02903	10.3
86.09715	11.2
87.10012	11.0
91.05427	2.6
96.04496	44.4
97.02910	28.7
98.06068	12.9
98.20876	2.6
99.04456	5.3
103.05486	2.7
107.04983	3.1
109.02867	9.9
110.06055	4.7
114.05526	15.9
121.06449	3.9
126.05530	61.9
127.04006	4.8
128.88065	2.0
130.06514	2.8
135.04442	3.0
136.06195	12.7
138.05515	100.0
144.06572	26.0
145.05002	2.3
146.06113	2.5
149.02368	9.4
149.06044	3.0
158.06169	2.3
168.06526	12.6
177.05467	4.9
186.07716	7.5
188.10783	6.6
189.11540	5.9
196.91733	2.3
200.55667	2.2
204.06999	3.1
204.08691	19.5
204.10439	4.0
204.13840	35.2
205.04919	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	205.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
57.03441	2.5
57.07074	1.6
61.02930	9.9
67.05471	1.4
69.03434	25.3
69.35122	10.9
71.04999	2.4
72.30441	1.2
73.76849	1.1
74.53302	1.3
79.05489	2.5
81.03435	8.9
81.07047	2.1
83.01326	1.5
85.02911	100.0
93.07019	2.0
95.08637	1.9
97.02898	26.1
98.20918	4.2
98.21576	2.4
99.04469	8.2
101.02402	1.4
105.07032	3.1
107.08598	1.3
109.02885	32.7
109.06505	1.6
115.05438	3.5
115.57747	1.2
117.07021	4.6
119.08575	3.7
121.06563	1.6
121.10161	2.8
127.03929	22.6
135.11667	2.1
139.04001	1.2
145.05002	8.8
145.06425	6.9
145.10121	3.9
149.02333	8.4
152.21893	1.2
155.06181	1.4
159.11700	1.9
160.05202	1.5
173.05977	3.2
173.62880	1.4
177.11073	1.4
177.12706	1.9
205.08612	2.9
205.14250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19056	2.9
53.03958	5.1
57.03426	3.3
61.02938	18.0
69.03435	55.4
70.95762	8.7
71.05013	4.2
71.13054	3.0
81.03436	19.5
83.01358	4.7
83.19484	3.9
83.76126	2.9
85.02913	100.0
97.02895	49.5
99.04475	15.7
101.09248	3.1
104.83861	2.9
105.07068	5.1
107.93807	3.2
109.02885	79.2
115.05467	7.7
117.07072	9.0
127.03925	48.7
136.11722	3.1
139.03891	4.2
145.04962	12.8
145.06485	10.1
149.02361	8.9
159.08000	3.2
160.80762	3.2
173.06004	6.9
177.09146	4.4
205.08679	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	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07071	0.6
59.07107	0.5
63.02627	0.5
63.39762	0.4
63.72419	0.5
71.34797	0.8
74.02438	1.4
81.03411	0.6
87.40752	0.5
91.05473	1.4
103.63525	0.5
115.05421	2.9
117.05755	1.6
117.07023	3.3
118.06548	45.9
121.02890	0.7
130.06531	2.5
132.08101	10.7
132.09035	0.9
142.06516	4.6
143.07314	6.2
144.04398	0.5
144.08099	22.8
144.09245	1.1
146.06017	100.0
147.06367	1.8
149.02367	3.3
150.65526	0.5
155.06061	0.8
159.08040	0.6
159.09189	9.6
160.07587	1.2
170.06012	7.8
188.07077	86.2
189.07451	1.7
205.09767	0.6
208.92851	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
50.01579	0.3
51.02383	0.9
53.03949	3.6
54.56550	0.2
55.01865	1.2
55.05507	0.8
57.03429	0.7
57.07071	3.1
60.04522	0.8
61.02918	0.4
61.04874	0.3
65.03936	1.9
67.05497	0.8
68.99789	0.6
69.03436	2.5
69.07068	0.5
70.06584	0.6
71.04994	0.6
71.50410	0.4
72.08174	1.4
73.02922	0.5
74.40659	0.3
77.03941	1.1
78.95280	0.6
79.05478	1.4
81.03423	2.6
81.07051	0.7
83.04974	1.3
84.08140	0.4
85.02911	3.0
85.04866	0.4
85.06533	0.9
91.05485	18.6
93.03411	0.4
93.07046	60.4
95.04971	4.9
95.08584	0.5
96.04453	0.4
97.02887	4.1
97.06534	0.3
98.03237	0.4
98.97594	0.4
99.04457	0.8
101.81326	0.3
103.05461	3.8
105.04527	2.8
105.07025	3.0
107.04944	0.9
107.08582	1.2
109.02915	1.7
109.06509	0.8
111.04475	0.4
115.05407	1.9
116.06249	0.6
117.07018	3.9
118.06540	0.9
119.04929	0.4
119.08573	1.7
119.97878	0.5
120.08099	0.9
121.02911	2.6
121.06507	100.0
121.10152	1.2
122.06834	1.0
127.03893	1.1
129.07037	0.8
131.04956	1.1
131.07741	0.3
131.08565	1.7
132.08104	0.5
133.06500	0.6
133.10112	0.5
135.04446	0.6
135.08047	1.4
135.11696	0.9
136.06183	1.2
137.06483	1.0
140.95284	0.5
141.07005	0.4
143.04921	0.4
143.08511	0.5
144.05728	0.5
144.08191	0.4
144.09341	1.0
145.05333	0.4
145.06500	4.7
145.10107	1.9
146.06020	2.4
147.08047	0.7
149.02348	22.2
149.05954	1.5
149.13298	0.4
155.06038	0.7
159.04411	0.7
159.08014	1.2
159.11693	3.3
161.05992	1.5
162.10384	0.5
163.03940	0.6
163.07600	0.3
163.11224	1.5
163.96834	0.6
169.10202	0.4
172.08804	0.4
173.05951	2.0
175.07593	0.6
175.11137	0.4
177.05405	1.5
177.09039	1.6
177.12732	2.4
181.97784	0.4
187.03893	0.9
187.07579	1.1
187.11168	1.3
188.07062	1.8
190.06215	0.5
190.11835	0.4
205.04938	3.5
205.08667	2.3
205.12244	12.8
205.14046	1.1
205.15889	1.5
214.43004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03930	0.8
55.05505	2.6
57.03439	0.8
57.07059	2.4
67.05520	4.2
69.03419	1.5
69.07055	3.0
70.36815	0.8
71.04993	20.1
71.11768	1.6
79.05494	2.8
79.68762	0.8
79.81905	0.8
81.03414	1.5
81.07054	11.2
85.02921	2.4
85.06551	1.7
89.24626	0.8
91.05494	7.2
93.07052	13.3
95.04985	4.4
95.08611	13.9
97.02895	3.5
97.06510	1.4
99.08092	1.4
103.05476	5.0
105.07040	37.4
107.08602	10.3
109.06527	2.7
109.10142	2.7
111.08073	3.6
113.09647	9.5
115.05454	4.1
117.07028	13.3
119.08583	14.2
121.02949	1.0
121.04080	1.1
121.10154	13.0
123.08025	1.3
123.11749	1.2
130.07849	1.0
131.04945	18.0
131.08578	13.0
133.10152	2.2
135.08063	1.9
135.11687	2.4
144.05690	0.8
145.06509	12.9
145.10126	23.1
147.10512	1.7
147.11696	34.6
149.02353	8.6
149.09615	2.5
149.13295	1.5
159.04424	10.9
159.08018	1.2
159.11720	6.3
161.05984	2.6
161.13275	6.1
163.11243	1.8
163.14865	3.3
173.06078	1.9
177.09131	2.4
177.12817	1.6
187.07494	1.0
187.14836	35.3
205.06740	1.0
205.08542	1.8
205.12181	2.7
205.15892	100.0
206.16394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03937	2.8
55.05516	17.5
57.03392	1.5
57.07081	13.0
65.03936	5.6
67.05503	18.6
69.03396	2.3
69.07069	37.1
71.36134	3.2
77.03929	1.6
79.05498	19.2
81.07060	65.0
83.08618	9.0
85.02930	2.5
91.05498	9.6
93.03392	1.9
93.07047	65.0
95.08611	44.1
95.09062	0.9
96.79846	1.4
97.02888	7.4
97.10178	9.2
105.07070	7.5
107.08604	54.0
109.02874	2.6
109.10163	37.8
111.11695	3.5
113.96439	2.8
115.05882	1.7
119.08596	3.4
121.02878	11.5
121.03983	2.9
121.06510	2.3
121.10153	100.0
123.08078	1.5
123.11724	19.8
131.08591	1.6
135.11697	36.7
137.13243	2.5
145.10103	3.6
146.21083	1.6
147.11717	2.9
149.02348	89.8
149.13263	61.9
149.22211	1.4
163.14821	6.3
205.12170	2.7
205.14203	2.2
205.16008	4.3
205.19530	40.6
229.68813	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.3
68.34727	0.2
68.99793	0.3
70.02948	0.9
70.04069	1.1
76.49606	0.3
79.05476	0.3
81.03380	0.3
86.01495	0.3
87.00825	2.4
91.05477	4.8
93.07056	2.9
93.37352	0.3
95.04960	0.6
95.08604	0.4
103.05471	16.2
104.05010	0.3
105.04524	0.4
105.06984	0.4
117.07019	0.6
118.06548	16.7
119.04932	2.1
120.08110	100.0
121.02895	0.5
121.06528	0.6
121.08440	0.9
123.04459	0.3
123.08159	0.3
128.04965	2.0
133.19850	0.3
135.04427	0.3
145.06482	1.0
146.06015	14.2
147.04419	1.5
149.02287	0.4
150.02759	0.4
160.07550	0.3
161.06055	0.3
163.07533	0.4
164.07190	0.3
164.29411	0.2
165.95366	0.3
175.03943	1.8
178.08652	1.0
186.61346	0.3
188.07074	10.2
189.05675	0.4
189.07477	0.3
192.04179	0.4
206.08134	5.0
207.06512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0814
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
53.42709	0.2
63.72944	0.2
68.99796	0.4
70.02951	0.9
70.63684	0.5
70.64064	0.5
77.03956	0.3
79.05501	0.3
87.00826	1.9
91.05480	2.9
93.07057	2.5
95.04980	0.2
95.08621	0.4
103.05473	14.8
104.04942	0.3
106.06586	0.3
106.70155	0.2
118.06551	16.9
119.04977	0.5
120.08112	100.0
121.06487	0.3
121.08447	0.7
128.04970	2.1
133.02798	0.2
140.82813	0.2
143.47151	0.2
146.06017	14.1
147.04343	0.2
147.06345	0.3
149.09697	0.3
160.07561	0.4
188.07077	10.1
206.08136	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	206.1025
Annotation	Casuarine
Peak:m/z	Relative Intensity
53.03948	1.6
55.01884	7.2
55.05503	5.0
56.96565	13.9
57.03429	2.0
59.04991	5.6
60.04522	2.1
67.05497	2.5
69.03432	11.2
70.02948	10.5
70.06580	4.6
70.21527	3.5
71.04997	21.3
72.04523	37.2
72.08154	2.7
72.93787	4.6
73.02924	22.5
73.06556	2.3
74.02443	1.2
76.03999	1.4
80.50768	1.2
81.03421	7.2
84.08108	5.7
84.96002	1.5
85.02898	3.0
85.06521	1.6
87.87113	1.2
89.06032	13.7
90.05560	100.0
91.05457	2.0
97.02905	1.4
98.02417	23.9
98.06050	3.6
98.97601	7.8
99.04471	15.7
100.03992	16.6
105.06961	1.4
106.83945	1.2
107.04972	7.7
109.02901	1.7
110.06030	8.3
110.97546	2.2
112.07612	14.1
116.03455	13.9
116.07078	3.4
116.98605	2.4
117.05483	1.9
118.08659	2.3
119.01852	2.4
127.03902	3.9
128.07088	55.0
128.98593	2.7
130.08643	11.6
132.95825	4.3
133.02954	1.4
133.06505	2.5
137.05978	3.7
140.05554	1.6
140.07076	1.7
141.07050	1.3
142.08617	1.7
143.00133	1.5
146.08118	14.6
147.04410	3.2
149.02400	2.0
150.02721	2.1
152.07031	1.7
155.00166	2.6
156.03342	2.9
158.06580	4.5
160.07597	22.7
160.09648	11.8
164.98549	5.4
170.08130	28.9
173.01196	1.8
174.04404	2.0
176.07611	1.9
177.05560	1.3
178.04935	1.7
178.08624	1.7
182.99687	10.8
186.04414	4.4
188.07770	2.6
188.09184	73.3
189.00943	1.4
201.00720	13.9
201.02414	2.4
204.05498	2.3
206.04311	1.2
206.08131	10.6
206.10233	14.2
206.11917	3.0
219.01797	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0653
Annotation	Scoparone
Peak:m/z	Relative Intensity
50.09844	1.0
50.73957	0.8
53.03949	3.2
55.01870	1.9
65.03947	6.4
65.42636	0.8
67.05500	2.4
68.99797	2.7
70.89445	2.0
78.04703	1.1
79.05504	5.3
80.06277	1.4
81.07020	1.8
89.03907	1.6
91.05487	38.8
93.03397	3.9
93.07059	5.3
95.04974	8.4
95.08604	3.8
103.05471	7.1
105.03415	2.1
105.07010	4.2
106.04164	2.7
107.04963	2.0
108.05737	4.3
115.05451	1.9
117.07013	4.1
118.04169	5.6
119.04956	45.7
119.08614	1.3
121.02881	5.0
121.06517	9.0
123.04442	7.6
123.08061	6.9
131.04858	1.2
133.02853	1.5
133.06467	4.6
133.10107	1.5
134.03615	1.8
135.04453	1.2
136.05226	14.9
137.05936	1.9
137.09583	0.9
145.06477	4.7
146.03632	15.0
147.04416	35.8
147.11783	1.8
148.05119	1.9
149.02351	38.2
149.05988	6.6
149.09631	3.8
151.07562	18.5
161.05986	3.5
161.13257	1.2
163.03929	10.4
164.04700	48.0
165.05368	1.1
174.03125	12.9
175.03909	9.3
177.05489	3.9
178.06175	1.0
179.07047	36.5
188.86015	1.0
189.05452	1.2
190.02606	1.3
191.03450	3.0
192.04192	19.9
207.06538	100.0
207.13802	2.3
208.06863	1.2
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
53.03719	1.1
53.03951	9.5
55.01874	1.3
55.05508	9.5
57.07067	2.0
65.03944	2.8
67.05506	31.0
69.03414	2.4
69.07079	7.4
70.75811	2.0
71.04968	2.9
71.08569	1.2
77.03922	2.6
79.05494	50.6
81.03417	3.8
81.07060	26.2
83.04969	4.9
83.08638	3.0
85.06534	4.0
91.04903	2.2
91.05485	63.9
93.07047	100.0
95.04962	13.0
95.08608	21.6
97.06519	3.2
97.10175	1.4
99.04449	1.8
103.05461	2.3
105.04503	3.9
105.07033	38.2
107.04929	2.1
107.08598	16.5
109.06529	7.8
109.10149	2.2
111.04437	1.8
111.08092	1.7
115.96439	13.9
116.97224	5.0
117.07002	5.0
119.04931	7.4
119.08584	21.7
121.06525	3.0
121.10165	5.8
123.04420	2.1
123.08069	12.0
123.11669	1.7
127.07539	1.6
128.06253	2.1
129.07016	11.7
131.08549	2.7
133.06496	3.4
133.10106	7.2
133.97472	5.4
135.04427	2.2
135.08018	1.8
135.11676	2.1
136.05211	2.0
137.06006	1.5
137.09628	2.7
143.08583	6.4
145.06503	1.4
145.10107	10.0
147.04424	8.1
147.08035	3.0
147.11691	64.5
149.02306	3.3
149.09619	7.3
150.15273	1.3
151.07538	4.6
156.99008	1.4
161.06010	2.2
161.09628	4.0
161.13237	10.4
163.03915	12.9
164.04695	3.6
165.12689	2.4
171.11713	20.0
175.03889	3.8
178.07895	1.3
179.06964	2.5
179.14326	1.9
189.12730	14.2
189.16275	2.8
192.04124	2.2
192.09312	1.8
207.06471	16.2
207.08147	1.7
207.09831	2.1
207.11674	5.2
207.13800	22.9
207.17291	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03953	1.4
55.05516	8.7
57.07069	6.8
67.05507	35.8
69.03415	5.0
69.07088	3.0
69.62424	7.2
71.05008	2.8
79.05477	5.7
81.07056	6.5
83.04979	3.2
85.06558	8.5
91.05475	8.7
93.07047	14.2
95.04972	4.3
95.08614	100.0
97.06513	2.1
99.25180	1.4
105.07033	16.6
107.08596	20.5
109.06522	6.2
109.10148	4.0
111.08138	2.2
113.06004	5.2
116.06210	2.1
119.04939	2.9
119.08586	28.8
121.06509	3.2
121.10152	16.8
123.08073	56.6
123.11696	5.3
126.88461	1.5
131.08572	5.9
133.06488	1.5
133.10110	8.1
135.08046	2.2
135.11714	3.2
137.09627	4.4
137.13193	2.1
145.10088	2.5
147.08047	5.0
147.11700	13.9
148.11934	1.7
149.09630	54.9
151.07544	2.5
151.14804	4.2
156.09271	2.1
159.08051	2.3
160.08836	1.8
161.13275	19.0
163.11188	1.9
165.09108	1.9
165.12766	11.7
171.11656	4.0
174.10394	6.2
179.14322	3.1
187.59607	1.5
189.12753	19.5
194.80463	1.5
207.13803	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	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05513	3.7
57.07083	2.9
64.18737	1.7
65.03944	3.1
67.05508	11.3
69.03428	2.9
69.07070	2.6
69.70060	2.2
69.70477	6.0
77.03931	1.8
79.05489	6.9
81.07055	15.0
83.04976	1.4
85.02912	100.0
85.06544	2.6
87.83075	1.2
91.05483	32.1
93.07051	10.3
95.04993	3.8
95.08612	23.5
103.05481	3.0
105.07043	14.4
107.04974	2.2
107.08610	16.8
109.06528	5.3
109.10172	11.7
111.04441	1.9
111.25315	1.4
117.07060	2.8
118.04147	1.4
119.04945	21.6
119.08590	16.8
121.06506	3.0
121.08461	1.7
121.10154	22.0
123.04416	1.5
123.08073	17.3
123.11713	68.6
125.05977	3.4
128.06229	1.4
129.07045	2.4
131.08580	6.2
133.06487	2.5
133.10123	3.3
135.04341	1.8
135.08063	6.2
135.11697	1.4
137.09663	2.2
141.05449	3.3
143.08519	2.0
145.10150	5.3
147.04414	19.8
147.08014	7.8
147.11705	13.2
149.02377	5.4
149.09628	38.6
151.07562	3.9
156.09325	4.9
161.05995	2.5
161.09583	2.9
161.13243	6.8
163.11169	3.4
164.04729	2.8
165.12758	4.0
171.11697	5.6
174.03169	2.0
175.03923	21.1
179.07080	3.9
189.12740	16.6
192.04190	4.3
207.06557	12.8
207.13815	43.7
207.15773	2.3
208.14229	1.5
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
55.01889	0.5
56.96566	3.9
57.07093	0.4
58.99889	1.4
62.42432	0.3
68.98316	0.8
69.03454	0.5
69.61694	1.1
69.62099	0.5
71.01385	0.4
71.95296	0.4
77.00945	1.0
81.03427	3.0
82.01471	0.6
84.08167	0.6
85.01414	0.4
97.01431	0.6
98.20788	0.6
98.97591	6.9
100.00135	0.7
100.02524	1.3
101.00883	2.7
102.00989	0.6
103.00672	0.9
103.02468	1.3
105.00394	0.8
108.01682	0.4
108.04486	1.0
109.02881	2.9
110.01414	0.9
111.02993	0.4
113.00874	2.0
115.02446	2.8
116.02479	0.5
116.98645	4.9
117.02187	2.3
117.52233	0.6
118.00394	0.8
118.01189	1.0
118.02075	0.7
118.03528	0.7
119.01123	0.3
119.01932	7.5
120.00095	0.3
120.02009	1.7
121.01707	2.2
122.01434	0.3
122.97701	0.4
123.02196	1.1
123.52257	0.5
123.97509	0.4
124.02998	0.5
125.00918	0.4
126.02721	1.1
126.52840	0.4
127.00917	0.4
127.02508	1.1
129.02174	1.1
129.03999	1.4
130.01242	0.5
131.01924	6.1
132.02724	1.2
133.03433	2.0
134.99719	2.9
137.01923	0.9
137.02995	2.1
138.02797	0.6
139.02449	3.2
141.03978	2.7
142.03526	1.4
142.98679	0.4
143.01955	1.8
143.03745	0.6
144.03287	1.3
145.03479	2.2
146.51714	0.6
146.99777	1.6
147.01514	0.7
147.05072	1.7
148.73230	0.3
149.00911	1.3
149.02997	0.4
152.02455	2.3
152.52496	0.7
153.00897	0.5
154.03526	0.7
155.01920	0.8
156.00253	1.6
157.03477	11.0
159.01442	0.6
159.05055	3.3
160.04630	0.9
161.02948	2.4
162.03125	3.3
162.04271	0.7
163.04594	0.4
163.53259	0.5
167.01903	11.3
167.03320	0.6
168.05103	0.7
171.01378	1.1
173.03040	1.8
174.97620	0.7
175.02876	0.6
175.04568	2.2
177.01035	2.7
178.01105	0.4
180.05191	0.7
182.06636	0.9
184.04546	1.6
185.02972	100.0
186.01465	0.4
186.03075	2.4
186.06052	0.5
186.99355	0.4
190.03531	2.7
191.99554	0.5
196.53354	0.4
199.99260	0.6
200.02786	0.5
202.49776	0.4
203.02251	3.4
203.04008	23.7
203.05473	0.9
203.07724	1.4
204.04259	0.9
204.98741	0.4
208.04565	24.6
209.04712	0.6
214.95628	1.2
216.95297	0.4
219.02103	0.6
221.03284	1.2
221.05063	1.0
226.05602	3.1
227.04143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02383	2.5
53.03961	12.6
55.01874	60.5
55.05500	4.2
57.03423	2.9
65.03946	14.3
67.05502	5.6
69.03419	2.3
70.54768	5.5
70.55137	2.1
75.04485	9.4
77.03892	2.4
78.04716	12.0
79.05489	7.7
80.74975	1.7
81.03415	5.2
81.07063	5.4
82.06184	1.6
83.04964	3.4
83.08623	2.5
85.02905	8.4
88.55711	1.6
88.65377	1.6
89.03925	13.0
89.05997	2.4
91.05487	54.9
91.26486	1.7
93.03414	27.2
93.07046	23.3
95.04978	20.0
95.08601	3.2
97.06548	10.5
98.20806	1.6
99.04391	1.8
103.05478	33.4
105.03414	4.8
105.04512	7.1
105.07031	4.4
106.04178	77.3
107.04980	9.2
107.08613	4.8
109.06517	6.8
109.10147	2.9
110.03664	2.1
111.04462	2.7
117.03391	17.0
118.04154	5.4
119.04939	8.2
120.05730	4.3
121.06508	90.7
121.10141	3.4
123.04384	5.4
123.08089	3.8
124.05248	2.7
125.05997	22.3
130.04144	2.3
131.04922	17.2
133.02875	2.2
133.06442	2.0
133.10185	4.9
134.03659	17.7
135.04382	5.5
135.08073	3.9
137.05957	10.1
138.03105	2.6
138.06740	4.1
139.07559	4.9
145.02863	20.6
147.04381	8.5
148.05196	10.6
149.05981	100.0
149.09605	2.0
151.03882	2.5
151.07570	4.6
151.11214	5.5
153.05502	12.2
153.09100	15.2
159.04372	4.2
163.03914	4.6
163.07550	13.9
164.04587	2.5
165.05478	2.0
165.12842	8.5
166.06268	6.2
173.13268	1.7
176.04735	6.8
177.05475	74.3
180.07906	1.7
181.04994	2.5
181.08601	23.9
191.07045	25.1
191.14333	2.9
193.04939	3.0
194.05779	4.1
209.08086	38.2
209.09941	2.5
209.15436	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	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
50.90664	1.2
53.03952	7.1
55.01629	1.7
55.01874	23.1
55.05503	2.5
57.03419	2.4
59.04982	1.5
65.03949	13.4
67.05497	4.9
68.69545	1.2
69.03429	1.8
69.07039	1.5
70.79665	3.2
71.05003	2.0
75.04478	11.2
77.03916	5.0
78.04721	11.9
78.05134	2.1
79.05499	9.2
79.08003	1.3
81.03411	4.1
81.07058	3.3
83.04983	1.3
85.02910	8.9
89.03922	8.0
89.06031	2.6
91.05488	48.1
93.03412	32.7
93.07047	17.0
95.04973	20.3
95.08626	2.5
97.06534	10.7
99.04510	2.3
103.05476	21.6
105.03396	2.4
105.04503	3.9
105.07035	4.4
106.04179	86.6
107.04994	7.2
107.08585	3.8
108.05748	1.6
109.06541	6.1
109.10146	2.3
110.03667	1.4
111.08046	1.7
117.03379	9.7
119.04939	6.5
119.08538	1.4
120.05771	1.7
121.06512	77.8
121.10081	3.0
122.03626	1.5
122.07253	1.8
123.04408	3.6
123.08074	3.8
125.06004	25.2
131.04951	8.6
133.02881	1.4
133.06450	1.6
133.10133	4.2
134.03651	17.1
135.04431	3.5
135.08069	2.6
137.05998	10.3
137.09573	2.2
138.06784	4.2
139.07561	4.5
145.02838	7.6
147.04413	2.5
148.05190	10.9
149.05994	100.0
149.13304	2.0
150.06398	1.5
151.03967	1.5
151.07526	2.9
151.11191	1.8
153.05476	8.9
153.09114	17.0
159.04474	1.8
162.03055	1.8
163.03839	2.0
163.07553	6.9
163.14833	2.4
165.05444	1.7
165.12752	1.8
166.06264	5.7
173.13197	1.2
176.04665	3.0
177.05486	46.1
178.06020	1.8
181.08626	19.6
191.07048	8.6
191.14301	3.0
194.05821	1.9
209.06120	1.4
209.08113	23.7
209.13414	1.6
209.15388	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	209.0811
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
53.03954	11.2
53.21824	1.5
53.52280	1.5
55.01880	16.2
57.00487	1.4
57.03426	2.1
61.02921	1.8
65.03947	15.1
67.05505	5.9
69.03422	3.2
69.07057	1.8
70.68253	1.9
70.68578	2.5
71.04980	1.6
72.35529	1.8
75.04483	14.9
77.03928	3.8
78.04710	12.6
79.05506	11.2
81.03419	2.3
81.07082	9.1
85.02939	10.5
89.03916	8.7
89.06010	2.0
91.05490	53.9
93.03418	32.7
93.07054	22.9
95.04977	18.1
95.08614	4.0
97.06547	13.7
99.04485	2.4
103.05469	22.6
105.03394	3.5
105.04533	4.7
105.07041	5.4
106.04184	97.3
107.04966	6.9
107.08604	8.4
108.05760	1.9
109.06527	22.8
109.10192	2.2
111.04424	2.5
111.08147	1.7
117.03414	7.2
118.04150	2.4
119.04935	7.7
121.06516	87.5
121.10167	4.3
122.03641	1.7
122.07304	2.6
123.04429	4.5
123.08063	6.3
124.05248	3.5
125.05993	22.6
131.04930	8.3
133.10124	5.7
134.03635	13.5
135.04431	1.7
135.08052	5.9
137.05978	14.7
137.09601	4.1
138.06775	5.9
139.07550	6.9
145.02847	6.8
145.10117	1.7
147.04417	2.3
148.05150	9.0
149.05995	100.0
149.09621	3.3
149.13271	1.9
151.03918	2.6
151.07518	5.8
151.11200	3.6
153.05505	5.8
153.09117	21.3
159.04390	2.3
163.04002	1.8
163.07549	7.3
165.05542	2.2
165.12776	9.2
166.06267	4.4
167.07059	2.1
173.13292	2.0
173.96887	1.5
176.04756	3.0
177.05492	45.4
181.08606	20.5
191.07031	8.0
191.14328	2.4
209.08110	23.1
209.13612	1.6
209.15384	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03939	3.4
55.01867	3.2
55.05513	31.2
57.03429	1.6
57.07080	1.6
59.04994	2.4
65.03920	1.8
67.05500	6.9
69.03430	3.0
69.07073	11.7
70.19740	2.2
70.20130	1.8
71.04990	3.8
78.04721	1.3
79.05506	9.2
80.73650	1.0
81.07066	8.7
83.04990	33.3
83.08623	13.3
85.02934	1.1
85.06547	1.5
89.03923	1.0
91.05485	12.5
93.03410	3.3
93.07054	34.1
95.04976	37.4
95.08617	6.2
97.06534	5.0
97.10157	3.0
99.04445	5.5
103.05460	4.2
105.07022	6.4
106.04189	7.7
107.04927	1.0
107.08601	33.1
109.06528	12.2
109.10159	8.8
111.08068	4.0
113.09623	1.2
113.73843	1.1
119.04952	1.2
119.08580	4.2
121.06532	9.6
121.10152	100.0
122.10433	1.2
123.08091	2.5
123.11734	4.8
125.06013	2.4
125.09643	4.5
131.04977	1.5
133.10124	5.2
134.03633	1.8
135.08035	2.0
135.11687	4.1
137.05994	1.5
145.10031	1.1
147.11650	0.9
148.05130	1.0
149.05998	9.6
149.13257	3.5
151.11182	14.5
153.05492	1.4
153.09132	10.1
163.07501	1.1
163.14825	17.4
167.14323	24.5
173.13301	5.0
177.05487	7.7
181.04892	1.4
181.08626	1.4
187.89362	1.0
191.14307	9.7
194.02130	1.2
209.04475	1.3
209.08072	3.0
209.15378	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.11884	1.9
53.03937	2.4
55.01871	2.0
55.05514	67.0
57.03436	3.1
57.07067	7.0
59.04995	4.2
67.05502	16.6
69.03434	26.3
69.07070	15.6
69.66158	10.3
69.66563	3.9
71.04997	5.6
79.05502	12.8
81.07066	23.6
83.04986	73.1
83.08628	28.9
83.63688	1.8
85.06563	9.4
91.05482	7.9
92.03228	1.9
93.07039	16.0
95.04963	17.2
95.08614	20.8
97.06536	12.7
97.10160	23.8
99.08084	12.6
105.07039	11.2
106.04159	2.1
107.04989	2.3
107.08596	43.0
109.06522	27.3
109.10152	24.9
111.08080	12.3
113.06008	9.5
113.09664	3.1
116.52125	1.7
116.98434	1.6
119.08603	4.8
121.06515	5.7
121.10153	38.1
123.08086	4.8
123.11706	10.5
124.08456	2.2
125.06009	5.9
125.09634	100.0
131.08569	2.5
133.10123	14.3
135.08031	11.6
135.11696	3.4
137.09630	5.1
139.07565	7.1
139.11131	3.8
147.11688	5.7
149.09628	53.3
149.13255	18.3
151.11201	55.4
153.09106	24.5
158.10924	3.5
163.14864	12.5
167.14330	45.1
173.13286	10.7
191.14369	25.4
209.15393	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03919	11.4
55.01864	16.8
55.05515	81.4
57.07073	8.1
59.04992	8.7
65.03941	8.7
67.05515	19.4
69.03429	25.8
69.07069	20.5
70.06602	4.4
70.83719	8.8
70.84093	8.4
71.04993	16.3
77.62299	4.6
78.04718	4.3
79.05489	19.2
80.52767	3.9
81.03426	4.7
81.07053	24.7
81.63225	4.0
83.04986	100.0
83.08630	43.5
85.06541	10.2
91.05478	30.6
93.03411	12.1
93.07040	30.5
94.59713	3.9
95.04382	5.4
95.04979	96.3
95.08606	25.3
96.37184	3.9
97.06517	16.9
97.10162	22.6
99.04446	15.3
99.08099	10.0
103.05473	9.5
105.03478	4.3
105.07020	17.4
106.04181	26.5
107.04972	8.7
107.08598	62.8
109.06532	46.6
109.10167	36.6
110.04388	4.2
111.08091	19.5
113.05992	6.6
117.03426	4.7
119.04946	3.7
119.08565	9.4
120.08105	7.9
121.06518	38.1
121.10153	38.1
123.08054	14.9
123.11687	20.2
125.05991	11.4
125.09649	76.5
131.08572	9.0
133.10136	26.3
134.03633	5.4
134.10278	4.1
135.08073	29.8
135.11653	7.9
137.06081	4.6
137.09622	11.3
139.11185	4.2
145.10135	5.4
149.05998	32.8
149.09628	66.7
149.13286	29.4
151.03934	4.5
151.11214	69.5
152.04745	5.6
153.09113	47.7
163.07608	7.2
163.14818	13.4
164.07074	4.3
165.12733	8.9
167.07071	32.4
167.14320	66.3
173.13272	15.1
177.05489	22.5
178.65764	3.9
181.08600	8.5
191.07019	6.7
191.14319	36.5
209.06224	4.8
209.08069	17.1
209.11469	5.9
209.15382	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	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03961	1.6
55.01873	1.4
55.05526	4.8
57.07093	1.4
59.04993	1.0
67.05502	5.2
69.03433	10.7
69.07062	4.9
70.13371	1.6
70.13763	1.4
71.04997	1.1
76.98386	0.6
79.05507	4.3
81.03430	10.5
81.07073	9.5
83.04986	6.0
83.08624	2.1
85.06535	0.9
87.79497	0.6
91.05480	3.6
93.03468	0.8
93.07047	5.1
95.04979	7.9
95.08618	8.9
97.06523	1.9
98.20736	0.8
99.08133	1.2
100.82957	0.7
103.05466	1.4
105.07022	4.9
106.04166	1.5
107.08604	10.5
109.06525	12.9
109.10157	2.0
110.07273	0.7
111.08096	0.9
116.19376	0.7
119.08579	5.2
121.06483	2.9
121.10151	14.9
122.07282	0.8
123.08080	11.8
123.11707	8.1
125.06010	0.9
131.08566	1.3
133.10144	1.4
134.03696	0.9
135.08063	2.1
135.11714	0.8
137.09691	3.3
137.13260	2.4
147.11739	4.0
149.05978	2.2
149.09631	10.1
149.13286	7.7
151.11201	7.0
153.09155	1.3
165.12766	100.0
166.13036	0.8
167.07056	1.1
167.14334	3.2
173.13264	1.5
177.05470	1.3
191.14333	2.9
209.08051	1.3
209.15376	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.25102	0.8
53.03952	1.4
54.18478	1.0
55.01860	3.1
55.05524	5.0
57.03430	3.8
57.07071	2.8
59.05003	3.0
65.03926	1.9
67.05516	6.4
69.03421	2.1
69.07069	4.9
71.04986	3.6
71.35508	2.2
71.82395	0.8
79.05496	10.5
81.07066	28.4
83.04979	3.4
83.08643	5.3
85.06533	3.1
91.05487	8.7
93.03407	2.8
93.07053	11.8
95.04982	30.4
95.08595	7.9
97.06536	21.6
99.04480	4.5
103.05470	2.1
105.07042	8.2
106.04182	7.0
107.04950	1.6
107.08602	14.8
109.06530	100.0
109.10166	20.8
110.06821	0.9
111.08068	3.8
112.75774	0.9
113.05991	1.0
113.09626	0.9
116.65002	1.0
117.07001	1.6
119.08585	4.0
121.06515	8.3
121.10151	21.9
123.08067	3.6
123.11694	1.9
125.06006	1.8
125.09631	2.7
126.01053	1.7
131.04932	1.1
131.08565	8.4
133.10144	33.3
134.03632	1.0
135.04399	1.0
135.08067	11.9
135.11714	1.8
137.05927	1.4
137.09593	1.3
143.08549	1.1
145.10144	3.6
147.11696	2.6
149.05983	7.4
149.09633	1.8
149.13286	4.6
151.11243	4.2
153.09125	24.3
153.10355	1.4
158.10904	3.3
163.14845	4.9
167.14288	3.1
171.13680	0.9
173.13303	13.6
176.31644	0.9
177.05486	4.0
191.10690	1.0
191.14313	16.2
209.08047	1.7
209.15375	23.0
209.17374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.66835	1.0
53.03941	2.4
55.05526	1.9
57.03442	0.8
57.07070	1.7
59.05004	1.6
61.42942	0.7
67.05501	4.1
69.03082	1.3
69.03427	13.1
69.07067	4.2
71.04984	1.4
71.35782	1.0
71.36116	1.1
79.05484	3.5
81.03418	12.4
81.07058	10.8
83.04975	2.7
83.16465	0.8
86.92844	0.8
91.05476	3.4
93.07045	4.3
95.04992	9.2
95.08614	13.6
97.06495	1.4
97.54160	0.9
99.08075	1.2
105.07042	5.8
106.04186	0.9
107.08593	10.1
108.39350	0.8
109.06523	14.7
109.10178	2.0
111.08099	1.5
119.08589	5.4
120.39069	0.8
121.06505	2.3
121.10146	15.4
123.08083	11.7
123.11716	7.9
131.08527	1.6
133.10136	1.3
135.08051	2.9
135.11740	0.8
137.09663	4.4
137.13260	2.8
147.11697	3.9
149.05954	1.5
149.09633	10.5
149.13268	6.4
151.11177	6.2
153.09190	1.2
154.24002	0.8
163.14763	1.1
165.12762	100.0
165.97762	0.9
166.13129	1.0
168.63104	0.8
173.13318	2.0
179.83614	0.7
191.14261	1.9
202.02255	1.0
209.15381	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	3.2
55.01861	5.3
55.05510	9.4
55.11273	1.3
57.03430	1.4
57.07071	2.8
59.04988	2.9
65.03924	5.7
67.05502	13.4
67.41185	1.1
68.99780	1.5
69.03431	14.2
69.07069	14.3
70.63296	4.1
71.04996	7.2
75.04483	1.3
77.03918	1.5
78.04704	3.7
79.05148	1.4
79.05499	16.0
81.03415	2.4
81.07061	25.9
83.04986	10.4
83.08601	5.1
91.05482	36.0
93.03390	6.9
93.07047	16.7
95.04965	13.9
95.08609	21.2
97.06525	7.5
97.47305	1.2
99.04452	2.7
99.08080	1.8
103.05468	8.1
105.07043	23.3
106.04177	12.9
107.04971	13.1
107.08593	54.8
109.06529	23.5
109.09471	1.8
109.10161	20.1
111.08089	2.9
113.09663	1.3
115.05468	6.2
116.06268	1.5
117.07034	9.3
119.04948	10.5
119.05750	1.5
119.06103	1.7
119.08582	8.5
121.06514	29.1
121.10146	43.5
122.07289	9.0
123.04408	3.7
123.08073	10.5
123.11688	3.7
125.05984	6.6
125.09637	7.7
131.04886	4.1
131.08578	8.8
133.02815	4.5
133.06471	5.0
133.10138	100.0
134.03658	3.1
135.04391	2.6
135.07022	1.5
135.08057	41.9
135.11687	7.3
136.05183	5.0
137.05956	5.7
137.09619	76.4
138.06799	2.2
139.07526	3.1
143.08557	2.2
145.10144	3.1
146.07272	3.0
147.04391	12.8
147.08025	10.2
147.11661	6.3
148.05176	5.1
149.05991	21.2
149.09622	12.2
149.13261	30.1
151.03903	1.7
151.07567	15.8
151.11188	67.5
152.08359	2.3
153.05476	12.3
153.09035	6.6
158.10912	4.2
161.05939	3.2
162.06812	8.5
163.07555	17.5
163.14819	7.3
165.05449	9.5
165.12772	11.3
166.06258	16.2
167.07030	2.6
168.07822	24.0
173.13293	14.2
177.05603	8.4
177.09111	10.0
178.09895	41.8
179.07037	22.0
181.08604	58.0
191.14314	31.8
194.09398	46.3
209.08115	4.0
209.11720	71.1
209.15117	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03952	4.1
54.63251	1.4
55.01865	5.7
55.05509	7.3
59.05006	2.2
62.97225	1.3
65.03941	3.2
65.54124	1.2
67.05511	9.5
69.03428	11.8
69.07076	16.2
70.95223	1.8
70.95564	3.2
71.05000	6.3
75.04497	2.3
76.26212	1.4
78.04754	2.3
79.05490	8.8
81.03417	1.6
81.07064	15.6
83.04991	16.0
83.08607	6.7
85.06542	1.5
89.03954	2.5
91.05485	14.3
93.03399	4.0
93.07054	15.5
95.04980	22.8
95.08615	28.4
97.06541	8.8
99.04469	2.8
99.08123	3.3
103.05473	5.1
105.07011	9.8
106.04188	14.6
107.04951	3.0
107.08609	37.2
109.06512	11.4
109.10161	17.8
111.04456	1.5
111.08111	6.4
119.08598	5.7
121.06512	19.9
121.10158	29.0
123.08082	6.3
123.11713	4.1
125.06007	4.9
125.09619	11.6
130.78149	1.4
131.04948	2.3
131.08554	7.0
133.10150	15.4
134.03638	3.3
135.08064	12.7
135.11723	7.6
137.06001	2.7
137.09616	2.5
139.07544	1.9
139.11171	3.5
143.08583	2.8
145.10118	3.5
147.04451	2.2
147.11705	7.1
148.96014	1.5
149.06009	14.7
149.09633	13.5
149.13263	20.4
151.07545	2.1
151.11192	100.0
153.09126	8.4
158.10930	3.6
163.14789	7.7
165.12769	6.2
167.14238	3.5
173.13297	14.9
177.05493	9.6
181.08589	3.1
191.07010	2.2
191.14325	44.3
209.08087	4.3
209.15388	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03948	3.5
55.01875	7.0
55.05513	23.6
57.03440	2.3
57.07088	1.2
59.04992	1.4
62.60740	0.9
65.03944	4.2
67.05507	6.1
69.03420	3.9
69.07061	2.9
70.88908	0.9
70.89246	1.9
71.04994	7.3
75.04475	2.8
77.03896	1.0
78.04713	2.9
79.05493	3.8
81.03409	2.3
81.07064	6.2
83.04984	29.4
83.08618	13.9
84.08146	1.0
85.02892	2.3
85.06556	2.7
89.03920	2.2
91.05485	17.9
93.03420	8.3
93.07047	12.6
95.04970	100.0
95.08601	4.5
97.06532	4.6
97.10186	2.4
99.04459	18.2
99.08099	1.4
103.05458	7.5
105.03413	0.8
105.04499	1.6
105.07024	4.2
106.04176	20.4
107.04961	1.9
107.08588	10.5
109.06528	6.6
109.10181	6.6
111.04437	1.4
111.08079	5.7
117.03400	2.6
119.04987	1.6
119.08592	2.1
121.06507	25.1
121.10126	7.9
123.04446	1.3
123.08086	5.3
123.11690	4.6
125.06006	5.9
125.09615	7.6
131.04919	3.8
131.05855	0.9
131.08568	2.2
133.10121	6.3
134.03639	3.2
135.08061	2.9
135.11707	1.6
137.05969	2.7
138.06764	1.1
139.07524	1.8
139.10999	0.9
145.02809	1.7
145.10118	1.8
147.04324	1.2
147.11700	1.1
148.05191	2.8
149.05989	27.4
149.09605	5.9
149.13255	4.9
151.11186	14.7
153.05547	1.6
153.09108	26.1
153.10353	1.3
159.04399	1.4
163.07570	1.8
163.11195	1.1
163.14796	1.2
164.07060	1.0
165.12785	2.9
167.06999	1.8
167.14319	21.9
173.13234	4.2
177.05478	16.9
181.08543	4.6
185.59526	1.0
191.07074	2.5
191.14272	6.2
204.85307	1.0
209.04539	1.3
209.08148	7.0
209.11510	0.9
209.15384	19.1
210.07535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	5-Hydroxyferulic acid methyl ester
Peak:m/z	Relative Intensity
51.02370	1.2
53.03949	9.7
55.01876	8.0
55.05501	4.1
59.05006	2.5
65.03939	6.0
66.39214	1.0
67.05510	45.7
68.99787	14.0
69.03417	3.5
69.07037	2.5
70.06578	1.0
71.04977	2.0
71.23949	2.0
77.03924	2.4
78.04654	1.1
79.05499	23.6
81.03417	12.1
81.07056	4.8
83.04977	5.3
85.02901	1.1
85.06553	2.1
91.05488	6.3
93.07038	2.2
95.01305	2.2
95.04974	59.8
95.08598	4.1
97.06544	1.5
98.98456	1.1
99.04470	1.4
99.08097	5.4
101.06032	1.0
105.03400	37.4
105.04459	4.7
105.07010	4.2
107.04938	1.6
107.08596	2.4
108.02092	3.6
109.02888	16.8
109.06508	3.7
109.10186	6.5
111.08088	1.2
119.08598	3.5
119.60583	0.9
121.06435	1.3
121.10183	1.1
122.03655	1.4
123.04436	83.9
123.08057	1.7
123.11707	1.6
125.05991	1.3
125.09631	2.8
127.03939	2.0
129.06956	1.7
131.08537	1.1
133.02866	17.9
133.06496	1.4
133.10110	4.7
135.11702	1.5
137.06013	5.3
137.09642	8.6
139.03944	8.2
147.08058	2.0
147.11641	2.2
151.03911	100.0
151.11165	2.0
155.08537	1.4
155.10684	3.2
163.64629	1.0
165.05511	8.1
165.09105	3.0
167.07083	1.3
168.04298	2.3
168.05647	1.2
175.14853	1.0
179.03523	1.2
181.31848	0.9
183.06540	1.1
183.08032	1.1
183.11674	1.0
186.92996	1.0
193.08641	1.7
193.12262	2.1
193.15848	1.1
211.06013	46.9
211.11241	1.5
211.14825	2.0
211.16830	2.3
214.71570	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0966
Annotation	Sinapyl alcohol
Peak:m/z	Relative Intensity
53.03940	2.9
55.01871	5.4
55.05517	9.3
57.03442	100.0
57.07056	1.9
59.04995	3.4
67.05509	10.3
69.03429	9.7
69.07085	7.5
70.06586	3.6
71.04996	16.6
71.10341	1.4
71.19233	2.5
73.88164	1.3
75.96617	1.6
79.05493	8.5
81.03422	6.8
81.07061	14.0
83.05010	9.0
83.08623	3.9
84.08133	1.9
85.02921	2.4
85.06559	3.0
86.09706	1.8
89.85091	1.6
91.05484	11.1
93.07052	16.0
95.04983	11.1
95.08609	14.2
97.06506	8.1
97.10179	1.4
99.04457	9.3
99.08092	2.7
105.07040	9.0
107.04950	2.7
107.08617	14.0
109.06515	5.6
109.10164	12.5
111.04464	2.2
111.08063	3.3
115.07597	3.7
119.04925	1.8
119.08582	10.6
121.06490	3.0
121.10139	7.8
123.04438	6.8
123.08097	5.6
123.11717	10.1
125.06020	2.8
125.09669	7.5
127.03898	3.9
127.07554	1.6
128.00771	1.9
128.06200	1.5
129.07005	3.0
133.10124	9.8
135.08080	2.2
135.11713	20.1
137.05995	7.2
137.09602	5.1
139.03952	2.0
140.04750	1.9
141.07036	3.5
141.09158	2.5
142.07843	2.0
143.08607	2.3
147.08124	1.6
147.11694	5.6
149.06001	2.5
149.13283	4.0
151.03905	3.1
151.07521	10.0
151.11156	2.0
153.07013	10.1
153.12778	5.3
155.03421	2.3
155.07362	1.7
155.08575	9.5
155.10689	1.5
165.05598	2.3
165.07068	6.4
165.09145	8.1
165.12747	2.2
167.07068	14.6
167.08577	4.5
168.05867	1.7
168.09291	8.5
169.10126	5.4
175.14867	11.9
178.07805	3.0
179.06999	2.9
181.06511	9.0
181.10141	3.0
183.08159	4.0
183.11719	16.1
185.71024	1.5
193.06929	2.5
193.08595	7.7
193.10182	4.7
193.12256	3.0
193.15924	4.8
195.08003	4.3
196.08844	19.4
211.05965	2.5
211.07608	11.0
211.09573	12.1
211.11221	34.2
211.14816	8.1
211.16934	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	211.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01871	5.4
55.05517	9.3
57.03442	100.0
57.07056	1.9
59.04995	3.4
67.05509	10.3
69.03429	9.7
69.07085	7.5
70.06586	3.6
71.04996	16.6
71.10341	1.4
71.19233	2.5
73.88164	1.3
75.96617	1.6
79.05493	8.5
81.03422	6.8
81.07061	14.0
83.05010	9.0
83.08623	3.9
84.08133	1.9
85.02921	2.4
85.06559	3.0
86.09706	1.8
89.85091	1.6
91.05484	11.1
93.07052	16.0
95.04983	11.1
95.08609	14.2
97.06506	8.1
97.10179	1.4
99.04457	9.3
99.08092	2.7
105.07040	9.0
107.04950	2.7
107.08617	14.0
109.06515	5.6
109.10164	12.5
111.04464	2.2
111.08063	3.3
115.07597	3.7
119.04925	1.8
119.08582	10.6
121.06490	3.0
121.10139	7.8
123.04438	6.8
123.08097	5.6
123.11717	10.1
125.06020	2.8
125.09669	7.5
127.03898	3.9
127.07554	1.6
128.00771	1.9
128.06200	1.5
129.07005	3.0
133.10124	9.8
135.08080	2.2
135.11713	20.1
137.05995	7.2
137.09602	5.1
139.03952	2.0
140.04750	1.9
141.07036	3.5
141.09158	2.5
142.07843	2.0
143.08607	2.3
147.08124	1.6
147.11694	5.6
149.06001	2.5
149.13283	4.0
151.03905	3.1
151.07521	10.0
151.11156	2.0
153.07013	10.1
153.12778	5.3
155.03421	2.3
155.07362	1.7
155.08575	9.5
155.10689	1.5
165.05598	2.3
165.07068	6.4
165.09145	8.1
165.12747	2.2
167.07068	14.6
167.08577	4.5
168.05867	1.7
168.09291	8.5
169.10126	5.4
175.14867	11.9
178.07805	3.0
179.06999	2.9
181.06511	9.0
181.10141	3.0
183.08159	4.0
183.11719	16.1
185.71024	1.5
193.06929	2.5
193.08595	7.7
193.10182	4.7
193.12256	3.0
193.15924	4.8
195.08003	4.3
196.08844	19.4
211.05965	2.5
211.07608	11.0
211.09573	12.1
211.11221	34.2
211.14816	8.1
211.16934	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.66554	1.0
53.03933	1.8
55.05278	1.0
55.05517	15.0
57.03432	3.4
57.07066	6.0
59.04992	3.0
67.05511	32.2
67.05878	1.7
69.03432	8.9
69.07070	16.6
71.05013	5.5
79.05495	6.1
79.57105	1.0
81.06596	1.7
81.07065	28.9
83.04992	12.5
83.08626	9.6
85.06540	4.4
91.05479	3.8
93.07043	12.2
95.04944	3.3
95.08614	51.1
97.06522	2.8
97.10177	3.6
99.08115	3.3
105.07043	8.6
107.08588	21.6
109.06528	11.8
109.10164	100.0
111.08083	3.4
113.09631	1.2
119.08593	21.2
121.10138	12.5
123.08069	15.8
123.11707	10.1
125.09663	2.8
133.10147	20.4
135.11693	60.5
137.09627	16.8
138.10370	1.7
139.11147	2.2
147.11778	1.1
149.13281	5.3
151.11188	10.6
151.14828	12.0
153.12740	3.0
158.42490	1.1
165.16412	2.7
167.07051	3.7
168.05751	1.1
175.14822	21.8
183.15735	1.9
193.15897	17.1
205.98351	1.0
211.15068	2.1
211.16873	5.6
232.43074	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03936	1.4
55.01865	1.9
55.05518	19.2
57.03432	3.8
57.07073	4.2
59.04990	2.3
65.03932	1.5
67.05505	43.6
69.03427	7.9
69.07075	21.7
69.79436	6.0
70.06602	1.4
71.04982	4.3
79.05489	7.2
81.03416	2.6
81.07059	35.0
83.04975	10.9
83.08630	13.6
85.02903	2.6
85.06542	7.8
91.05484	7.1
93.07050	17.5
95.04981	3.1
95.08611	76.5
97.05912	1.1
97.06528	2.3
97.10164	3.5
99.08100	3.6
104.56094	1.2
105.07040	10.6
107.08597	20.2
109.06522	10.5
109.10160	100.0
110.45699	1.2
111.08086	5.2
113.05993	2.6
113.09695	1.7
115.07559	3.7
119.08585	19.7
120.08112	1.4
121.10153	11.8
123.04460	2.0
123.08047	10.1
123.11729	10.4
125.09645	3.8
133.10144	18.4
135.11700	47.2
137.06044	1.4
137.09618	17.9
137.13243	1.6
139.03886	1.9
139.11217	3.3
147.11696	3.5
149.13278	6.6
151.03893	1.8
151.06354	1.4
151.11179	8.0
151.14812	6.8
153.07120	1.6
153.12700	2.9
155.03433	6.2
155.08598	1.5
163.14825	5.1
165.07097	1.4
165.12860	1.3
165.16371	2.7
167.07048	7.5
169.10110	2.5
172.26740	1.2
175.14850	20.6
188.82681	1.3
193.15871	25.9
211.07590	4.2
211.09654	3.7
211.14853	3.6
211.16896	19.3
216.11836	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05519	15.2
56.12670	1.0
56.96564	2.4
57.07064	3.2
59.04995	3.2
67.05498	5.1
69.03445	2.1
69.07075	7.3
69.90984	5.8
70.06589	1.4
71.04993	47.2
79.05496	5.3
81.03414	5.0
81.07055	13.7
82.03739	1.6
83.04977	3.9
83.08620	12.4
85.06548	2.2
91.05495	6.3
91.05962	1.1
93.07047	19.3
95.04971	2.8
95.08607	20.9
97.06543	11.2
98.06041	1.3
98.20878	1.9
99.04456	100.0
99.08077	3.9
101.06001	1.4
105.07015	7.8
107.08598	21.3
109.02859	2.3
109.10154	6.2
111.08069	3.1
113.09633	2.0
115.07602	2.9
116.73468	1.2
119.08591	17.9
121.10138	2.2
123.04435	1.6
123.08054	5.7
123.11698	5.1
125.09603	1.6
127.03904	6.7
127.07537	1.9
133.10126	29.0
135.11691	67.1
137.09619	3.1
141.09109	19.5
147.11725	2.1
149.13300	1.5
151.07489	1.3
151.14877	1.1
152.07143	1.3
152.79247	1.1
153.07033	1.1
153.12761	6.3
155.08560	2.5
155.10704	2.1
163.97653	1.9
165.07201	1.5
167.07004	1.5
167.08592	1.4
169.04947	4.3
169.10094	3.9
175.14825	37.1
190.68614	1.3
193.15852	8.0
205.98778	2.5
211.07692	5.0
211.11041	2.2
211.12936	1.2
211.14763	4.7
211.16957	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	213.076
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03951	2.4
55.01871	1.2
59.82834	0.7
60.00923	0.8
61.02935	10.1
65.03954	8.6
67.05508	2.7
70.06599	2.1
70.89333	2.5
72.08149	1.3
74.29310	0.8
77.03919	1.3
79.05502	18.9
86.09715	1.8
89.03915	1.3
91.05496	4.3
93.03408	12.6
95.04987	3.4
105.03410	2.0
105.04515	1.5
107.04963	27.4
108.02112	2.6
109.06546	0.7
110.03674	25.6
111.04447	7.0
117.03375	1.8
119.04971	1.2
121.06509	9.4
122.03646	6.4
123.04495	1.5
125.06006	55.5
126.06311	0.9
130.96310	1.1
133.02866	13.1
134.03615	1.2
135.04427	25.6
137.05966	5.3
141.05475	2.9
149.04802	1.1
149.06003	22.8
150.03137	10.2
151.03929	100.0
151.05055	13.7
152.04384	0.9
153.05478	12.1
162.03209	1.8
163.03934	6.2
165.05492	38.2
167.07063	17.6
177.05490	18.4
195.06532	13.2
213.07578	4.6
214.46489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0759
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03940	3.2
55.01863	1.4
55.05511	0.9
57.93794	0.9
61.02931	9.8
61.61798	0.7
63.07042	0.7
65.03947	7.2
67.05495	2.4
70.06579	3.1
71.01339	0.8
71.07272	1.3
71.07616	1.5
72.08162	10.2
73.58366	1.1
77.03932	2.5
79.05494	18.4
79.98784	0.7
85.02905	1.4
86.09712	15.0
89.03907	1.6
91.05466	4.3
93.03407	12.7
95.04980	3.5
105.03390	2.4
105.04535	1.2
107.04961	28.1
108.02086	4.2
109.02875	1.4
110.03671	25.5
111.04445	7.2
115.08401	0.8
117.03370	1.6
119.04920	1.4
119.21838	0.7
121.06511	9.7
122.03661	6.6
123.04433	1.0
125.06002	60.3
130.96324	1.8
133.02852	12.1
134.03635	0.8
135.04428	28.1
137.05972	7.0
141.05490	2.7
148.97372	1.1
149.04790	1.4
149.05992	21.4
150.03137	10.6
151.03922	100.0
151.05038	13.3
152.04332	0.9
153.05486	14.7
162.03157	2.2
163.03925	7.4
165.05492	43.1
167.07057	17.1
177.05481	22.0
195.06543	12.5
213.07513	5.9
225.80840	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0909
Annotation	9,10-dihydrophenanthrene-9,10-diol
Peak:m/z	Relative Intensity
55.01868	1.1
55.05495	1.2
57.07071	0.6
63.13362	0.5
65.03941	7.4
67.05508	3.4
69.03405	0.7
69.07059	1.9
70.05013	1.8
70.05382	1.0
71.04986	0.7
79.05500	2.3
81.03407	1.0
81.07056	4.1
83.08632	0.6
85.02897	0.8
86.24225	0.5
91.05480	89.5
92.05796	0.6
93.07042	2.7
95.04974	1.0
95.08615	1.3
97.06526	0.9
98.21029	1.3
105.07050	0.9
107.04964	3.4
107.08581	1.3
109.02837	0.7
109.10242	0.6
111.04408	0.6
115.05431	1.2
117.07050	1.1
119.04941	71.2
119.08565	1.5
120.05256	0.6
121.10130	1.0
127.03908	0.9
128.06189	1.6
129.07025	2.6
131.08543	0.9
137.05977	33.2
141.06987	2.8
142.07782	2.9
143.08546	2.9
145.06453	0.8
149.13289	1.4
151.03912	0.7
152.06221	3.8
153.06973	10.2
154.07779	1.5
155.04900	0.8
155.08578	4.5
156.09328	1.1
157.06473	2.6
157.10147	5.7
165.06987	12.5
167.07138	0.7
167.08568	2.2
168.05672	0.6
169.06482	6.3
169.10185	0.7
170.07272	31.9
171.07959	1.6
171.11678	3.4
180.05803	1.3
181.06480	23.0
182.07274	21.2
182.08873	1.2
183.08044	13.5
183.11606	0.7
185.05957	1.7
185.09610	8.2
185.13217	0.9
195.06441	0.7
195.08028	6.4
197.06030	2.9
198.06764	20.0
198.08580	1.2
199.07378	0.9
212.04863	0.6
212.08260	1.5
213.05551	3.6
213.09102	100.0
213.16371	9.8
214.09431	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
52.29215	1.4
53.03942	4.4
53.58778	1.2
54.89982	1.2
55.01863	3.5
55.05495	3.0
57.03442	2.4
58.58343	1.3
61.29456	1.2
65.03924	1.7
67.05489	4.2
67.33110	1.3
69.03417	4.7
69.07059	2.1
69.56067	3.8
69.56493	5.6
70.06318	1.0
70.06599	10.5
72.08150	6.2
74.15404	1.3
79.05499	16.1
80.30646	1.2
81.03419	1.9
81.07064	6.8
83.04967	1.7
85.02875	1.2
86.09715	13.9
91.05480	12.8
93.07053	20.5
95.04958	4.0
95.08617	11.3
97.06534	1.6
98.97584	2.3
103.05462	3.5
105.07040	28.3
106.07827	1.5
107.04972	16.4
107.07883	2.7
107.08600	48.1
109.02889	1.5
109.06519	10.7
111.08046	1.7
115.05453	2.0
116.06236	2.6
117.07028	1.4
119.08559	4.5
120.05740	1.2
121.06493	3.6
121.10152	100.0
123.04446	2.9
123.08074	44.8
125.05994	2.9
125.09616	8.7
127.03870	2.3
127.19531	1.4
129.06990	1.7
131.08575	9.2
133.06552	1.4
133.07593	3.3
133.10138	3.8
135.08061	10.5
139.11127	2.3
148.97372	1.4
149.09633	73.3
150.09882	1.7
151.03908	5.4
153.09082	2.7
159.08032	2.2
163.07591	6.2
165.05496	1.6
167.07045	21.9
167.10674	17.9
169.07327	1.7
169.08635	29.4
177.09120	97.8
178.09583	1.7
180.07666	1.3
185.09692	1.3
195.10170	36.9
213.05505	1.5
213.09508	2.5
213.11209	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	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03931	2.1
55.01862	3.6
55.05496	4.1
57.03424	2.2
57.07061	1.3
59.51003	0.9
65.03922	1.2
67.05492	5.4
69.03439	4.4
69.07059	4.5
69.24316	8.9
70.06579	3.0
71.04974	3.5
72.08157	1.4
79.05496	16.4
81.03398	1.1
81.07066	9.3
83.04954	2.3
83.08627	1.2
84.08174	1.0
85.02906	2.6
86.09682	3.7
88.07642	1.1
91.05484	13.0
93.07053	22.0
95.04958	4.3
95.08598	12.2
97.06506	2.3
98.21548	2.0
98.97579	2.2
100.07637	1.2
103.05454	1.7
105.07038	28.7
107.04943	3.3
107.08598	46.0
109.02869	1.3
109.06516	11.3
109.10165	2.1
110.07315	1.1
111.04408	2.4
111.08086	2.2
112.07597	1.4
115.05437	1.1
116.98639	1.4
119.06037	1.2
119.08582	6.9
121.06531	4.7
121.10149	100.0
122.10415	1.5
123.08076	46.3
123.11675	1.1
125.06002	3.1
125.09645	6.6
127.03922	2.6
127.07589	1.3
129.07004	2.6
131.08569	9.7
133.06532	1.5
133.07613	3.3
133.10155	4.7
135.04453	1.3
135.08040	7.2
135.11693	5.5
137.05971	1.1
139.11177	2.1
141.07013	1.1
142.07788	2.0
143.08543	1.8
149.09625	74.7
151.03934	2.2
151.07536	2.4
151.11171	2.3
153.09131	2.2
157.06494	1.0
157.10117	3.4
159.08049	1.6
167.07124	1.2
167.10699	18.4
168.13817	3.7
169.08604	25.0
171.11697	1.4
177.09113	93.8
177.16417	1.5
178.09462	1.9
185.07251	1.3
185.09691	0.9
195.06548	1.4
195.10187	33.1
196.13261	3.1
213.05507	1.4
213.09383	2.7
213.11198	63.1
213.16318	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	213.185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01870	4.9
55.05515	50.1
57.03425	4.9
57.07075	10.3
59.04993	6.6
63.67625	1.7
63.95510	1.8
67.05511	29.6
68.99791	4.1
69.03433	8.9
69.07069	100.0
69.80223	3.8
69.80614	4.3
70.06566	1.9
71.04993	12.6
71.08618	3.1
79.05499	18.5
81.03416	6.9
81.07059	70.4
81.07534	4.2
83.04978	10.2
83.08621	24.2
85.02913	5.0
85.06549	30.6
88.07619	4.1
91.05474	13.0
93.07050	37.8
95.04974	4.0
95.08612	90.9
97.06534	6.5
97.10182	22.4
98.20849	3.6
99.04456	3.1
99.08101	22.9
100.13321	1.8
105.07032	7.6
107.04939	5.1
107.07873	3.8
107.08595	54.8
109.02885	5.4
109.10162	29.1
110.03674	3.8
111.08085	4.5
111.11681	8.6
113.09670	12.3
119.05000	2.5
119.08574	6.6
119.53503	1.7
121.10149	74.4
122.10384	1.7
123.11725	10.4
125.06002	6.8
125.09641	11.2
127.03920	13.6
127.11172	3.1
128.06224	3.0
129.07008	4.8
135.04480	3.5
135.11700	32.3
137.06026	1.8
137.13277	30.3
139.11209	12.3
141.06976	1.9
142.07800	5.6
143.08572	7.3
149.05957	2.4
149.13274	6.3
150.03030	1.9
151.03889	8.4
151.14822	6.5
153.06992	2.2
153.12788	9.5
155.08545	2.4
156.09381	2.3
157.06561	2.7
157.10129	10.1
162.60732	2.0
165.05434	5.6
167.07021	4.1
167.08638	2.1
170.07272	2.1
171.11700	6.8
177.14819	3.6
177.16388	70.0
185.13332	2.3
195.17516	10.1
213.05540	5.2
213.09138	8.3
213.12738	6.3
213.16342	14.5
213.18378	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	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03936	3.6
54.81835	1.7
55.01886	2.3
55.05511	14.2
56.96548	1.7
57.03440	2.8
57.07082	3.9
57.32952	1.4
59.05007	3.1
66.14984	1.8
67.05510	42.6
68.99782	2.4
69.03431	7.0
69.07075	23.3
70.06590	4.5
71.05002	37.5
71.51144	1.9
72.08164	4.1
73.06561	1.7
79.05501	11.5
79.20065	1.5
81.03434	3.5
81.07062	47.4
82.07399	1.5
83.04981	2.9
83.08630	10.1
84.08117	1.8
85.02921	4.2
85.06561	3.7
86.09682	3.5
88.07599	2.5
91.05482	7.1
93.07054	23.6
95.04971	3.8
95.08615	28.3
97.02884	2.5
97.06533	2.1
97.10172	3.6
99.04506	2.6
99.08099	10.6
105.07015	5.2
107.04941	3.2
107.08600	25.2
109.02888	3.5
109.06504	3.2
109.10166	100.0
111.08096	4.9
113.09637	1.9
115.05430	2.0
117.07061	1.7
119.08589	3.5
121.06512	2.0
121.10152	41.9
123.08052	2.9
123.11732	11.6
125.05991	1.9
125.09631	7.0
125.13271	1.7
127.03933	10.6
127.11193	2.9
128.06224	2.7
129.06984	7.2
131.08595	1.9
133.10092	2.2
135.04463	1.7
135.08026	1.7
135.11719	13.7
137.13278	9.3
139.11188	3.8
141.07027	3.6
141.92976	1.5
142.07777	4.0
143.08548	9.2
145.10068	1.8
149.09590	2.8
149.13333	3.2
149.41589	1.6
151.03909	3.9
153.05447	2.1
153.12753	11.9
155.03339	2.1
155.08591	4.5
156.09390	3.3
157.06473	3.8
157.10101	7.8
165.05594	1.8
165.07024	2.9
167.07057	4.3
169.10175	4.1
170.10846	3.2
171.11690	9.2
177.16396	37.2
180.09319	3.0
185.09630	3.2
185.13327	3.4
185.16370	1.6
195.10191	2.0
195.11723	4.9
195.17467	31.7
198.10385	2.6
213.05490	7.0
213.09128	5.0
213.12848	14.3
213.16393	14.0
213.18524	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	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94302	3.3
56.96572	6.8
57.03423	1.6
61.02911	2.2
69.03409	1.0
69.07084	7.1
70.06606	6.6
70.98111	2.4
71.06927	1.8
71.50885	0.9
72.08138	3.3
72.93797	4.2
73.02898	1.3
79.54277	0.9
82.01447	1.2
82.99830	7.1
84.04512	1.0
84.08137	3.5
85.02900	2.1
86.09715	100.0
87.10024	0.9
87.27364	0.9
88.99090	0.8
90.94825	1.6
97.06535	10.4
97.96919	0.9
98.97591	6.7
99.97894	1.7
100.02499	3.7
101.00890	54.2
102.01008	0.9
104.96394	0.9
106.97898	0.9
107.04951	1.0
109.02942	1.0
109.59520	0.9
111.00446	1.1
112.02483	1.2
112.07569	2.7
113.00858	3.3
113.01719	1.4
113.34662	0.9
113.96412	8.2
115.02491	1.0
116.98636	2.8
118.03537	9.1
119.01933	90.4
120.02023	1.6
126.07574	1.2
127.03900	1.0
128.98587	1.5
130.03510	2.9
131.01907	9.2
131.97435	2.3
132.95844	3.0
133.03438	2.3
136.06230	1.6
137.02988	15.2
142.03542	1.1
144.05077	2.3
144.08737	2.6
145.03450	1.4
146.99573	1.2
149.02910	1.6
150.96841	1.7
154.03517	3.1
155.05525	1.1
155.08142	1.3
158.93774	3.1
160.06389	3.4
161.02904	1.0
162.09720	1.3
162.11090	0.9
168.08705	7.8
172.03140	0.7
172.04558	3.8
172.97520	0.9
173.01280	1.0
173.02994	2.9
173.06606	3.2
178.07362	1.7
179.05437	1.0
181.95345	3.3
186.09781	77.1
187.09914	1.9
187.34225	0.8
190.07472	1.0
191.02307	0.9
191.04019	3.7
191.07649	1.9
191.97128	1.0
196.08229	4.4
197.06599	6.5
204.10855	23.1
209.11380	1.0
210.13010	0.8
214.07480	3.3
214.09259	40.2
215.07619	6.6
232.10344	79.9
233.08705	3.3
233.10716	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27947	0.9
55.05515	5.1
57.07070	2.6
58.79150	1.0
61.50791	0.8
62.41870	0.8
64.32330	0.8
65.52769	0.8
67.05505	6.7
69.07066	4.7
69.99296	3.6
70.06597	1.2
71.05004	1.1
71.08625	1.6
72.08147	2.4
74.09714	3.8
79.05508	5.1
81.07059	14.8
83.08607	3.0
91.05495	10.7
93.07054	11.6
95.08611	9.8
97.10129	1.0
98.98457	2.1
103.05499	1.0
105.07042	22.1
107.08592	14.3
109.10147	5.7
115.05457	2.4
116.06237	1.1
117.07021	11.2
119.08595	17.7
121.10159	11.2
123.11710	1.7
128.06274	1.6
129.07019	5.6
130.07811	6.0
131.08580	36.1
132.67441	0.9
132.95834	2.3
133.10135	8.0
135.11679	3.2
141.06966	1.2
142.07791	1.5
143.08568	3.5
144.09343	8.0
145.10136	49.8
147.11688	4.2
150.96895	3.5
157.10156	5.9
158.10927	3.2
159.11707	100.0
160.12204	2.6
169.10120	1.0
171.11720	2.5
173.13269	26.2
180.06813	1.1
185.09647	0.9
185.13229	1.5
186.14093	1.9
187.07756	1.1
187.14851	7.1
191.97084	2.1
197.13062	1.1
198.11270	1.8
200.15634	1.1
213.16437	1.0
215.07056	1.4
215.14423	4.2
215.17973	95.2
216.12297	2.2
216.18327	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	217.0496
Annotation	BERGAPTEN
Peak:m/z	Relative Intensity
52.33336	0.5
53.03949	0.5
55.01869	0.4
55.05517	5.4
59.04974	0.5
67.05489	1.8
69.03419	0.7
69.07064	1.1
69.74153	1.7
69.74561	0.9
79.05479	1.2
81.07050	1.8
83.04982	6.9
83.08599	1.0
85.06529	0.5
87.04459	1.0
89.02425	0.5
89.03941	0.4
89.06007	1.1
91.05478	2.6
93.07039	1.8
95.04946	0.5
95.08621	1.9
98.20818	0.4
98.21347	0.9
101.06026	3.0
105.07027	3.3
107.08588	1.6
109.10126	1.4
111.03719	0.7
111.04444	10.0
111.05212	0.6
113.05995	0.7
115.05443	4.6
117.07014	1.4
118.04153	2.6
119.08584	3.2
121.10123	1.8
123.11719	1.0
127.07554	1.4
128.06230	1.3
129.05475	1.5
129.06960	0.9
131.04961	2.8
131.08540	0.9
133.06476	0.9
133.10123	1.8
135.11739	0.8
142.07791	0.4
143.04921	0.4
143.08600	1.0
143.65877	0.4
145.02921	0.5
145.06512	1.1
145.10135	0.4
146.03616	2.0
147.11681	1.7
155.07030	13.7
156.05675	1.3
157.06551	0.6
157.10136	0.9
158.03627	1.0
159.11710	1.5
161.05965	2.4
161.09601	0.8
161.13226	1.3
171.05585	0.7
171.07945	0.4
171.11691	0.6
173.06001	4.1
173.08107	7.0
174.03125	19.5
174.18538	1.2
175.11337	0.4
175.14870	0.6
178.02594	1.1
184.05241	0.6
187.07541	1.2
189.05493	0.6
189.09047	0.8
199.07547	0.6
199.09605	0.6
199.11295	0.5
199.14758	0.6
202.02612	87.4
203.02933	1.8
217.04965	100.0
217.08495	3.5
217.10701	5.3
217.12318	1.1
217.15764	2.2
217.19498	4.2
218.05353	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10129	1.7
55.01865	1.9
55.05515	31.3
56.94299	2.1
56.96562	4.2
57.03421	7.2
58.99852	2.6
59.05010	2.6
61.02930	34.6
62.12936	1.6
68.98303	2.1
69.03417	6.7
70.06610	8.5
70.99838	3.4
71.01374	1.8
71.10586	3.0
71.10914	2.1
72.08151	12.8
72.93768	3.2
73.02902	5.3
74.06070	4.5
74.81734	2.0
75.31660	1.6
82.99831	5.8
83.04987	40.9
84.04504	2.4
84.05281	1.9
84.08154	2.8
85.02896	6.2
85.06548	4.4
86.06065	2.6
87.00806	2.3
87.04482	3.2
89.02390	4.8
89.06023	7.9
95.01344	4.0
96.04507	3.3
96.65356	2.0
98.97575	1.7
99.04470	5.2
101.00883	23.6
101.06033	17.9
103.00635	6.2
111.04449	60.3
113.00843	3.7
113.02361	5.3
113.05983	4.1
115.02431	6.9
116.07081	6.9
119.01938	27.3
119.02743	3.5
121.01623	4.0
126.98812	8.9
127.02460	4.8
127.03890	2.3
127.07561	7.2
129.05486	8.7
131.01904	8.1
132.95833	5.6
133.02505	2.6
133.03455	9.3
137.03003	2.4
138.09120	2.1
138.98856	1.9
142.02913	3.9
143.01913	2.9
144.95844	6.0
144.99828	14.1
145.03419	9.4
146.01334	3.3
148.02968	6.1
149.02913	3.2
154.02969	2.1
154.98322	2.7
155.07039	70.6
157.03441	2.2
158.08150	2.7
159.01405	3.6
161.03000	5.1
163.04521	2.4
168.99855	3.5
171.01413	9.8
172.99306	4.8
173.03015	2.0
173.08125	43.5
175.00943	3.8
177.02400	10.0
185.02960	3.5
186.96924	4.8
187.00920	6.2
189.00856	2.0
189.02484	7.5
191.00328	3.3
191.02185	1.8
191.04025	2.9
194.02914	2.4
199.00824	4.0
199.09619	3.8
201.02435	2.0
202.02617	4.2
205.02025	6.5
207.03365	1.9
212.98959	2.6
217.01735	3.8
217.06860	100.0
217.10645	37.3
217.12772	3.8
218.07123	2.6
219.03473	3.1
223.02922	1.9
227.00482	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	217.0861
Annotation	Noraucuparin
Peak:m/z	Relative Intensity
53.03954	1.8
55.01862	5.9
55.05513	32.9
59.04995	3.8
65.03952	1.7
67.05508	6.6
69.03416	4.2
69.07062	3.7
70.31733	5.5
73.02904	1.8
79.05482	4.4
81.03374	1.4
81.07051	7.6
83.04985	48.5
83.08617	3.3
85.02911	1.5
85.06534	4.6
87.04460	5.7
88.07623	2.2
89.02377	5.5
89.06041	8.4
91.05486	23.5
93.07050	6.7
95.08615	7.3
96.80022	1.2
99.04436	4.0
101.06021	18.7
103.05460	4.2
105.07039	23.9
107.04954	2.0
107.08583	5.9
109.10168	4.5
111.04445	68.1
113.06034	7.3
114.05511	1.2
115.05447	9.8
116.06234	5.7
117.07021	9.9
119.04934	4.9
119.08588	9.6
121.06488	5.3
121.10131	5.9
123.11699	3.1
127.07549	9.5
128.06230	24.3
129.05560	10.9
129.07007	29.0
130.07768	1.8
131.04904	9.7
131.08562	8.5
132.09613	1.4
132.52774	1.5
133.06578	2.8
133.10121	7.2
137.05957	3.1
141.06984	5.8
142.07758	2.7
143.08556	5.4
144.05707	9.8
145.06497	10.2
145.10179	3.2
146.03636	1.4
146.07256	13.2
147.08011	5.0
147.11676	5.1
155.07043	86.1
156.05716	21.3
157.06490	13.7
157.10123	5.6
158.07225	1.8
159.04546	1.7
159.08058	19.7
159.11691	7.3
160.05188	2.8
160.08774	2.7
161.05917	3.9
161.09637	61.1
161.13278	6.5
168.05696	3.4
171.04373	4.1
171.08000	6.4
171.11642	3.2
172.05183	25.6
172.06543	2.4
173.05920	3.9
173.08115	47.1
173.13297	1.6
174.06767	11.3
175.07518	8.4
175.11127	2.2
175.14835	1.8
184.05170	16.4
185.05931	6.0
186.06487	14.3
187.07547	30.1
188.08305	3.2
189.05498	3.4
189.09123	20.5
199.07547	68.6
199.09543	5.5
199.14815	5.1
200.07924	2.4
202.02608	4.5
202.05943	9.2
216.07341	1.8
217.04958	7.3
217.08531	100.0
217.10704	38.7
217.15849	14.6
217.19481	8.9
218.21159	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	217.155
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
53.03938	0.4
55.01884	0.2
55.05512	14.4
55.93508	0.2
56.05038	0.6
56.94309	0.8
56.96569	3.2
57.05817	1.1
59.05006	0.5
67.05510	0.3
69.03431	0.9
69.45975	0.4
69.46381	1.4
70.06591	1.0
70.95874	0.7
70.98127	2.3
71.54696	0.2
71.95245	0.3
72.08157	100.0
72.93794	1.4
73.02917	0.6
73.08496	0.7
74.06094	0.2
83.04985	5.3
83.08620	0.3
84.08136	1.4
85.02900	0.7
85.06550	0.6
86.09732	0.4
86.95370	0.3
87.04469	0.6
88.99152	1.2
89.02451	0.3
89.06032	1.0
90.94832	0.5
97.02888	0.3
98.20829	0.5
98.97592	6.1
99.04456	0.6
99.85918	0.2
101.06018	2.2
110.97588	1.7
111.04443	8.0
112.07626	0.3
112.99258	0.2
113.05999	1.0
116.07102	0.6
116.96352	0.2
116.98624	2.1
118.08658	3.2
119.04977	0.2
120.08067	0.2
127.07584	1.0
128.96346	0.4
128.98582	1.1
129.05484	1.4
129.10246	0.5
130.08636	0.4
132.95827	2.6
134.99693	0.5
137.05977	0.3
143.00186	0.2
144.95827	2.7
144.97964	0.3
146.97389	0.3
146.99655	0.3
150.96915	0.5
155.07037	8.8
156.98128	0.3
158.08220	0.3
158.97432	0.4
158.99623	0.6
162.96898	1.1
168.95871	0.4
171.14960	1.0
173.08092	5.6
174.96936	0.7
174.99214	0.9
186.04381	0.4
186.96898	2.9
189.00691	0.2
192.97989	0.2
193.00229	1.0
197.78554	0.2
199.09740	0.4
202.02669	0.7
204.97929	0.3
216.97980	0.3
217.00168	0.3
217.05182	0.6
217.10728	4.6
217.12845	0.4
217.15440	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	CHEBI:73881
Peak:m/z	Relative Intensity
55.05513	18.7
57.07080	1.4
67.05507	24.2
69.03454	1.1
69.07069	13.3
71.51488	1.7
76.59135	1.2
78.05753	1.0
79.05498	11.9
81.04564	1.2
81.07059	39.5
83.04985	18.3
83.08632	6.1
85.01693	1.1
87.04447	1.8
87.72365	1.2
88.09698	1.2
89.02364	1.6
89.06007	1.1
91.05481	13.1
93.06478	1.9
93.07047	28.9
95.04924	2.3
95.08608	53.2
97.10168	2.8
101.06018	5.2
105.07037	34.4
107.08604	31.8
108.05590	1.4
109.06570	1.3
109.07603	1.2
109.10160	42.1
110.07142	1.3
111.04447	21.1
111.07931	1.7
113.06036	2.8
113.20690	1.3
117.06963	1.2
119.08581	30.7
121.10147	32.2
123.11729	22.1
127.07581	2.7
128.21169	1.2
129.05501	5.5
131.08553	1.9
133.10136	20.0
134.07126	2.5
135.06671	1.8
135.11699	18.9
136.07515	1.4
137.08162	1.2
137.13232	1.9
143.08612	2.6
145.10117	1.7
147.11696	27.7
149.08183	2.3
149.13266	6.0
153.12392	1.3
155.07036	30.4
158.07101	1.6
159.11679	3.2
161.13264	53.4
173.08112	17.9
173.13258	1.4
173.98410	1.2
175.09785	3.9
175.14879	9.7
176.09282	4.3
177.10152	1.9
180.65604	1.4
189.16411	3.5
202.02579	1.4
217.04929	4.3
217.10283	14.3
217.12181	9.1
217.15916	6.1
217.19516	100.0
218.13997	1.2
218.19749	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	217.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
54.80429	1.2
55.01884	1.1
55.05511	41.4
57.07071	2.3
59.04980	3.1
64.33524	1.2
65.03961	1.3
67.05507	28.0
69.03416	2.6
69.07066	14.2
71.05019	1.1
71.50900	1.7
73.02912	2.4
77.03916	1.4
79.05495	11.1
81.06595	1.8
81.07059	33.8
83.04983	46.7
83.08617	8.2
85.02895	1.5
85.06530	2.8
86.55827	1.0
87.04000	1.0
87.04455	6.9
89.02381	3.9
89.06037	7.5
91.05477	15.6
93.07045	21.0
93.21278	1.0
95.04967	2.2
95.08607	56.0
97.10142	2.2
99.04456	5.0
101.06023	19.8
103.05465	1.5
104.06226	2.6
105.07037	41.6
107.04966	1.9
107.08591	35.8
109.06466	1.9
109.10161	53.6
111.04445	67.6
112.04803	1.0
113.05997	10.4
115.05437	4.2
116.06277	1.4
117.07019	3.4
119.08585	41.7
121.02882	1.3
121.10147	34.9
121.11047	1.7
123.08098	1.4
123.11724	22.1
127.07578	11.6
128.05290	1.5
128.06235	30.5
129.05482	12.0
129.07008	7.6
131.04947	6.7
131.08562	5.3
133.06509	1.5
133.10135	24.6
135.11678	11.3
137.06003	2.4
137.13193	1.7
142.07759	1.2
143.04871	1.2
143.08546	3.9
144.05707	3.8
145.06483	3.5
145.10117	4.5
146.07234	2.1
147.06467	1.3
147.08087	2.2
147.11696	34.7
149.09607	1.5
149.13280	2.2
155.07033	89.7
156.05698	90.6
157.06464	5.9
157.10149	5.1
158.07278	1.2
159.04402	2.3
159.08020	3.4
159.11674	7.2
160.05286	1.7
161.05983	2.4
161.09648	8.5
161.13254	43.1
171.08044	2.8
171.11742	1.9
172.05188	6.2
173.05948	6.5
173.08101	48.2
173.13206	1.9
174.03206	1.2
174.06828	5.3
174.08130	1.2
175.07489	2.0
175.11108	1.4
175.14832	11.5
184.05191	11.5
185.05930	2.0
187.07538	4.4
188.08330	1.6
189.07259	1.2
189.09113	4.5
189.12743	1.6
189.16360	5.1
199.07526	6.3
199.09625	4.0
199.14838	3.9
202.02635	6.0
202.06256	25.8
217.04996	9.6
217.08592	100.0
217.10690	40.9
217.12286	2.4
217.15889	9.7
217.19511	95.8
218.08786	2.6
218.19464	1.3
218.21307	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	219.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40131	5.2
56.96561	13.0
61.75304	5.5
66.66461	5.9
71.49618	9.1
71.49998	6.0
76.77240	5.1
98.01071	5.5
98.97588	100.0
101.00888	10.9
116.98631	31.8
119.01924	8.9
122.68672	6.0
134.46426	5.6
134.99661	7.7
158.99629	20.2
173.02922	8.7
177.00746	11.7
207.08815	5.8
219.02681	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.77216	1.9
53.03959	3.0
55.05505	7.6
57.07079	2.9
63.02348	1.8
63.78155	2.0
67.05505	10.3
69.03422	2.4
69.07060	9.0
69.07475	1.8
69.47882	10.9
69.48288	3.7
71.04997	9.3
79.05482	8.4
81.07059	24.1
83.04969	3.1
83.08613	3.3
85.06530	2.0
85.92956	1.9
91.05489	29.1
93.07044	21.4
95.04961	5.0
95.08601	17.4
97.06528	3.9
103.05461	7.4
105.07040	40.1
107.08617	19.0
109.06527	4.4
109.10146	8.0
111.08080	3.6
113.36617	1.9
115.05469	13.9
116.06234	3.6
117.07012	10.1
119.08587	24.0
120.08091	4.3
121.06530	2.2
121.10150	19.4
123.08009	6.0
123.11692	3.5
125.09644	7.1
128.06223	9.4
129.07014	40.1
130.07765	6.1
131.04948	12.8
131.08580	49.6
133.10147	57.5
135.08044	5.6
135.11700	9.4
137.06003	3.0
141.05989	3.3
141.06995	42.5
142.07578	1.9
143.04927	2.3
143.08572	3.4
144.05696	5.9
145.06505	9.3
145.10120	21.8
146.07283	3.2
147.08035	2.7
147.11685	12.3
148.05159	2.2
149.09601	4.9
149.13327	3.1
153.07039	2.5
155.06081	2.1
157.06479	19.1
157.10025	2.4
158.07277	25.7
159.04407	5.7
159.08063	29.4
159.11693	20.5
160.05231	6.1
161.05925	2.4
161.09666	7.3
161.13216	8.6
163.07515	2.7
163.11150	7.5
166.07750	2.0
169.06534	16.7
170.07237	6.4
171.08002	2.5
173.05933	9.4
173.13242	6.7
174.05260	5.0
174.06773	80.0
175.07468	12.9
175.14810	6.8
177.12833	4.0
177.16360	2.6
186.06804	17.4
187.07474	3.3
188.08333	4.2
189.07401	4.6
189.09116	92.9
191.07031	3.7
191.10677	7.5
201.05379	3.1
201.09096	44.2
201.16437	16.7
203.14317	14.8
219.06522	7.4
219.10165	100.0
219.13824	7.7
219.17444	87.2
219.19591	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.01868	1.9
55.05507	2.6
67.05506	6.2
69.03419	1.7
69.07059	2.9
69.41771	7.1
69.42182	1.8
70.28606	1.1
71.01371	1.0
71.04982	3.1
71.06059	1.0
79.05485	3.2
79.83084	0.9
81.03390	1.0
81.07063	9.8
83.04984	2.0
85.02905	1.4
85.06562	1.3
86.09731	1.8
91.05494	15.2
93.07040	7.6
95.04974	2.1
95.08601	8.3
97.06522	2.9
98.06857	1.3
98.20718	2.0
98.97586	1.3
103.05463	5.1
105.07040	17.3
107.04942	1.3
107.08598	6.5
109.06519	2.6
109.10141	4.7
111.04470	0.9
111.08105	1.4
115.05450	11.4
116.06207	3.5
117.07010	7.2
119.08589	11.4
121.06518	1.4
121.10143	6.7
123.08044	3.4
125.09649	2.1
126.03715	1.1
128.06235	9.6
129.07008	40.7
130.07761	2.9
131.04971	7.7
131.08568	43.1
133.10129	12.8
135.08020	1.2
135.11664	2.6
137.05952	3.8
141.07004	34.6
142.07671	1.1
143.04909	2.6
143.08566	3.0
144.05728	5.5
145.06491	6.9
145.10107	8.5
146.07251	3.7
147.04443	1.5
147.08104	1.4
147.11685	4.0
148.05159	1.6
149.05994	1.3
151.11116	1.3
153.01889	1.7
157.06482	23.5
158.07286	22.3
159.04398	4.3
159.08066	27.1
159.11705	9.0
160.05179	5.0
161.05923	2.9
161.09596	5.5
161.13271	5.6
163.07527	4.3
163.11156	2.6
169.06483	17.9
169.07765	1.3
170.07280	6.8
171.08055	1.4
173.05992	5.7
173.13208	3.3
174.06779	74.1
175.07516	10.8
175.14827	2.5
186.06787	18.3
187.07466	1.7
188.08307	3.8
189.09122	93.3
190.09464	1.5
191.07040	5.8
191.08704	1.8
191.10654	7.3
201.05356	2.2
201.09114	37.8
201.12679	1.5
201.14700	1.3
201.16382	6.7
202.09341	1.4
203.14307	9.1
219.06439	4.0
219.10164	100.0
219.13753	4.4
219.17438	43.1
219.19084	0.9
219.19589	1.6
220.10518	1.5
225.14470	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
55.05524	0.7
56.05035	1.2
56.96569	21.4
57.03427	2.2
60.04522	2.5
61.02930	3.7
67.21031	0.6
69.03439	3.5
69.07071	4.4
69.98925	2.4
70.06589	0.8
70.98125	2.6
71.04987	0.7
71.95251	0.9
72.08149	2.3
72.93777	0.9
73.02924	1.6
74.06085	3.8
82.01474	0.6
83.05003	0.6
84.08145	1.6
84.96044	2.1
85.02909	3.6
86.09711	100.0
88.99179	0.6
97.02890	2.0
98.97591	45.0
99.04445	1.2
100.02525	0.9
101.00905	2.5
102.96909	0.7
103.00626	0.7
103.03969	0.7
106.05036	1.0
110.97579	6.7
112.99152	1.6
113.00942	0.9
113.02392	1.1
115.00705	4.7
115.02447	1.0
116.98631	13.9
118.01022	0.8
118.08665	0.6
119.01859	2.8
124.95510	0.7
124.99127	0.7
127.03958	1.9
128.98592	5.0
129.02246	1.4
129.03979	0.8
131.00171	1.7
131.01898	1.3
132.10223	0.7
132.95856	1.6
133.01691	2.6
133.03465	1.3
134.02330	0.6
134.99681	2.3
140.02325	0.6
140.98610	0.9
143.00131	0.7
143.01892	1.3
146.99684	2.2
147.03209	1.9
149.01210	0.7
150.96901	0.9
152.98584	0.5
155.00125	0.8
158.97554	0.5
158.99667	6.0
159.03354	2.4
161.02994	0.8
163.02757	0.7
170.99678	1.6
173.01349	0.8
173.03004	1.2
173.12843	0.6
175.68356	0.5
177.00748	5.9
177.04384	6.3
189.00740	1.7
195.05481	2.0
196.01047	0.9
201.00745	1.8
203.14445	0.9
219.01730	4.5
219.03647	1.0
219.05516	2.0
219.13475	1.6
219.17491	2.5
237.02875	2.1
237.06612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
56.96573	1.4
60.04530	100.0
63.13076	0.5
66.46934	0.6
69.03425	0.6
70.02962	0.7
71.01384	0.6
71.35120	1.0
84.89747	0.6
86.09710	69.8
87.05589	3.1
91.05488	0.8
91.77579	0.5
94.08172	0.5
98.97598	4.7
100.29617	0.5
110.97614	0.8
116.98666	1.3
128.10770	2.6
128.98671	0.7
131.72694	0.6
132.10214	50.2
158.99698	1.0
172.95274	0.8
173.12871	28.4
191.07111	0.6
201.12357	4.3
201.14072	0.7
203.14320	1.4
219.13403	7.8
219.17422	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	219.1744
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
51.11697	1.4
53.03926	2.1
54.12379	1.7
55.05508	9.0
61.37570	1.8
67.05504	10.1
67.56959	1.7
69.03428	3.1
69.07061	7.3
70.09689	3.8
70.10083	4.7
70.98127	1.7
71.04990	15.0
79.05504	13.7
81.07059	38.7
83.04988	4.1
83.08625	3.6
91.05483	20.7
93.07053	20.5
95.04976	2.9
95.08609	11.3
97.06510	4.9
97.10149	2.4
103.05462	2.8
105.07040	70.2
107.08595	19.4
109.06551	3.8
109.10175	8.7
115.05456	3.4
117.07005	7.2
119.08592	18.7
121.06506	5.2
121.10140	16.6
123.08022	4.0
123.11697	2.1
125.08902	2.1
125.09647	24.4
128.06175	2.1
129.07002	7.2
131.04938	3.7
131.08557	22.4
133.10138	100.0
135.08063	3.1
135.11671	5.7
141.06992	5.6
143.08612	2.0
145.06483	2.9
145.10133	18.3
147.11707	14.9
149.09552	1.9
149.13266	2.1
157.06496	5.5
158.07228	4.1
158.10844	2.0
159.04393	2.7
159.07999	4.9
159.11696	18.7
160.07620	1.8
161.09631	2.6
161.13257	11.9
163.03845	2.2
163.07489	1.7
163.11174	4.3
169.06544	3.6
173.13251	5.4
174.06773	12.5
175.07526	1.8
175.14835	3.3
177.12753	1.7
186.06740	2.0
189.09091	15.7
191.10628	1.8
191.17853	1.9
191.95107	1.7
201.09087	7.0
201.16357	15.4
203.14360	8.4
219.02748	2.3
219.06427	2.6
219.10078	12.6
219.17453	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
55.05505	8.1
67.05501	8.5
69.07072	7.0
69.41264	16.8
71.04993	18.8
79.05495	11.3
79.92929	2.1
81.07062	23.5
83.05000	2.1
83.08589	2.2
83.36677	2.1
85.06538	3.6
91.05483	22.9
93.07044	19.2
95.05002	2.1
95.08618	14.8
97.06538	4.4
98.20772	2.8
103.05486	2.4
105.07042	58.2
107.04899	1.9
107.08614	18.8
109.06549	3.4
109.10172	8.5
111.09694	1.8
117.07026	4.7
119.08594	24.0
121.06513	3.8
121.10151	14.6
123.08086	3.2
123.11693	2.6
125.09636	18.0
129.07069	2.3
130.07849	2.7
131.08578	13.8
133.10144	100.0
135.11678	5.4
137.09532	1.9
144.09410	2.4
145.10126	16.0
147.11723	12.4
149.09644	2.4
149.13246	2.6
159.11713	18.6
161.09628	1.8
161.13235	10.8
163.03922	3.9
163.11194	3.5
166.74156	2.2
173.13271	6.7
174.06787	2.4
175.14931	2.2
177.12772	3.5
189.09148	3.6
191.03412	3.4
201.16396	17.9
203.14302	3.0
206.07715	2.2
219.03003	3.8
219.10228	2.8
219.17461	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
50.41259	0.8
53.00312	0.9
53.03936	1.9
55.05514	10.5
57.03434	0.9
57.07064	1.2
67.05504	9.7
69.03433	1.2
69.07079	6.6
70.81596	1.3
70.81938	2.0
71.04999	12.4
79.05494	12.2
81.03431	1.7
81.07061	34.0
83.04964	3.5
83.08603	3.5
83.09064	1.0
85.06541	2.1
91.05481	25.0
93.06491	1.3
93.07050	21.8
95.04970	3.6
95.08614	14.0
97.06541	6.2
97.10147	1.8
98.97569	2.8
103.05468	2.6
105.07034	66.8
106.07335	1.5
107.04957	1.6
107.08599	19.4
109.06518	3.1
109.10174	7.3
111.08089	2.4
115.05420	2.6
116.06232	1.5
117.07011	8.1
118.07776	1.1
119.07811	1.6
119.08592	21.5
121.06487	4.0
121.10149	13.4
123.08057	3.3
123.11736	2.3
125.09642	19.6
128.06229	2.3
129.07011	8.3
130.07735	2.1
131.04970	1.4
131.08577	20.8
133.10136	100.0
134.10431	1.5
135.08060	2.4
135.11697	5.0
137.09540	1.7
139.11197	1.7
141.06979	6.1
142.07779	1.2
143.08568	2.0
144.05727	1.9
144.09354	1.4
145.06497	2.9
145.09056	1.5
145.10127	19.4
147.04439	1.0
147.11690	14.2
149.09575	2.5
149.13280	1.9
151.11237	1.5
157.06477	1.8
157.10118	1.6
158.07278	3.3
158.10938	1.8
159.08087	5.3
159.11708	22.7
160.05183	1.2
161.05965	1.1
161.09616	2.4
161.13277	12.3
163.03922	1.1
163.07535	1.2
163.11182	3.4
169.06427	2.6
171.08055	1.0
173.05991	2.2
173.09721	1.0
173.13257	5.7
174.06796	11.4
175.07532	2.0
175.14807	2.8
177.12801	1.9
177.16412	1.6
185.05963	1.0
186.06827	2.0
189.09140	13.8
191.03421	2.4
191.07014	1.5
191.10674	1.4
191.14357	1.1
191.17982	1.3
201.09109	6.5
201.12769	1.6
201.16379	17.1
203.14276	10.5
205.15939	2.1
215.99547	0.9
219.02869	2.5
219.06564	2.4
219.10130	16.5
219.13908	3.6
219.17448	63.0
220.17896	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(+-)-(E)-Nuciferol
Peak:m/z	Relative Intensity
53.03939	1.8
55.05518	8.9
57.07062	4.3
67.05503	7.5
69.03503	1.0
69.07055	5.0
69.25163	1.2
70.06592	2.2
70.72976	3.4
71.04996	14.4
71.06927	1.4
71.08636	1.6
79.05498	11.9
81.07056	33.2
83.04981	3.5
83.08605	3.1
86.60959	1.1
88.07613	3.6
91.05489	24.3
93.07045	21.3
95.04974	1.4
95.08065	1.2
95.08617	12.9
97.06530	6.9
97.10150	2.5
98.21446	1.2
102.09193	1.7
103.05448	1.9
105.07036	72.1
106.08678	1.5
107.08593	19.4
109.06521	2.1
109.10155	9.6
109.42808	1.0
115.05430	1.7
117.07011	6.9
119.08587	16.7
121.06495	3.3
121.10165	12.5
123.08072	1.6
123.11695	2.6
125.08766	1.8
125.09640	23.2
128.06258	2.1
129.06970	3.4
129.62976	1.3
130.07816	2.8
131.08565	17.2
133.10138	100.0
134.10464	1.4
135.08109	1.5
135.11687	3.8
137.09647	1.7
139.11203	1.8
141.06946	2.3
143.08551	1.4
144.09348	1.8
145.06493	1.3
145.10153	18.7
147.11674	10.2
149.13239	3.0
157.06461	1.6
157.10146	1.6
158.10843	2.2
158.99622	1.2
159.07990	1.4
159.11697	15.3
161.09485	1.3
161.13266	10.6
163.11154	1.9
173.13281	3.3
174.06770	2.8
175.14844	2.5
177.12718	1.7
177.16380	1.5
189.09151	3.4
201.09175	1.7
201.16374	15.1
201.20325	1.3
203.14343	3.1
219.06535	1.6
219.10156	3.7
219.17447	35.8
219.21483	33.1
220.17682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.2109
Annotation	(Z,E)-3,4,7,11-Tetramethyl-1,3,6,10-dodecatetraene
Peak:m/z	Relative Intensity
55.05513	20.7
56.05028	2.1
57.07079	13.3
63.90660	2.0
67.05514	23.3
69.06730	4.1
69.07071	50.7
69.64084	13.2
71.08600	4.3
79.05500	19.2
81.07063	46.4
83.06124	2.2
83.08627	16.9
85.10203	3.2
88.48908	2.7
91.05479	14.1
93.06475	4.7
93.07043	51.2
95.08614	48.3
97.10169	11.0
98.20759	4.2
105.07002	11.8
107.08601	82.6
109.06530	2.3
109.07635	4.6
109.10162	49.7
110.07176	3.4
111.11716	6.5
119.08578	11.3
121.10155	57.4
123.11706	40.0
131.08585	4.7
133.10149	8.8
135.11696	42.2
136.08730	6.0
137.08224	4.0
137.13249	12.2
145.10182	2.5
146.06062	2.9
147.08162	2.5
149.13271	42.5
151.09807	2.5
159.11739	4.2
161.13300	7.4
163.14822	45.2
176.09293	2.6
177.16393	9.9
178.10988	3.7
191.10699	2.4
201.16423	3.7
203.14349	27.4
205.15901	3.5
219.06587	4.1
219.14052	12.8
219.17484	100.0
219.21033	63.0
219.22859	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
55.05519	1.0
56.96569	0.7
57.07079	4.8
58.06588	0.6
59.05007	6.0
60.04539	0.8
62.11823	0.6
67.05516	4.6
69.07082	4.9
69.44033	4.8
70.02957	7.7
71.11333	0.8
72.04522	15.8
73.02930	4.1
74.02448	1.4
79.67545	0.6
83.04988	2.0
84.08138	0.7
85.02905	0.7
85.06544	9.4
86.09712	1.8
87.08126	1.4
90.05561	100.0
95.04972	7.1
96.08136	2.0
98.02421	16.6
100.03990	3.0
103.07575	6.1
103.14079	0.7
107.04981	2.8
113.06010	2.8
116.03453	13.1
124.07596	17.1
132.10159	1.0
136.06178	0.9
142.08644	9.7
156.10246	1.3
160.09705	2.2
161.05945	0.7
166.08632	2.6
174.11198	1.8
175.07619	0.8
184.09692	19.7
185.06052	0.7
189.83963	0.8
202.08858	1.6
202.10736	26.3
205.15918	4.5
220.09834	1.2
220.11790	27.2
220.17839	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01867	2.0
56.96559	2.0
57.07082	6.8
59.04990	3.6
61.02937	1.3
67.05511	5.1
69.03423	0.9
69.07074	5.2
70.02654	0.7
70.02959	7.0
70.20522	2.1
70.20903	1.3
71.01355	0.8
72.01691	1.1
72.04519	17.2
73.02900	3.6
74.02423	1.3
75.04462	0.9
83.04972	1.7
84.31285	0.8
84.45313	0.9
85.02901	1.2
85.06544	10.6
86.09687	1.9
87.08107	1.8
90.05559	100.0
95.04969	7.8
96.08088	2.5
98.01841	1.1
98.02422	15.9
98.97591	4.4
100.03974	3.1
103.03930	1.1
103.07594	7.6
107.04953	3.1
110.20399	0.9
113.06008	3.7
116.03458	14.0
116.98592	1.2
124.07597	18.1
131.07019	1.3
133.06520	1.2
137.05992	4.7
142.08647	7.1
146.65584	0.8
147.61299	0.8
156.10194	1.9
158.11827	1.8
158.99658	1.8
160.03209	2.6
160.09705	1.7
161.06047	1.4
166.08684	2.9
174.11212	2.4
184.09711	19.4
200.10638	0.9
202.08827	2.0
202.10745	32.0
203.06911	0.9
204.14740	1.5
205.15891	6.3
220.09773	2.8
220.11797	29.5
220.17804	4.6
239.26170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
55.01867	1.1
55.05520	1.0
56.96569	1.1
57.07071	7.3
59.05002	4.3
61.02916	0.6
63.90904	0.7
67.05511	6.5
69.07078	6.4
69.57138	4.2
70.02955	6.5
72.04522	16.0
73.02930	3.8
74.02422	1.4
79.93372	0.6
81.07063	1.0
83.04993	1.9
85.06547	9.9
86.09714	2.5
87.08117	1.9
90.05560	100.0
95.04983	7.9
96.08156	1.9
98.02419	17.8
99.08151	0.6
100.03983	2.6
103.07579	8.3
106.95752	0.8
107.05006	1.6
113.05970	3.1
116.03461	13.4
119.08552	0.6
124.07596	18.2
131.07129	1.0
142.08649	7.1
146.05994	1.1
156.10275	0.7
160.09697	2.2
166.08670	1.4
172.09621	1.0
174.11302	2.0
175.08638	0.7
181.25056	0.7
184.09706	20.5
202.10759	28.7
205.15875	7.6
220.09912	1.2
220.11810	29.7
220.17899	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	220.1697
Annotation	Fabianine
Peak:m/z	Relative Intensity
55.05510	0.3
57.03435	0.3
57.07076	0.3
69.52805	1.3
81.07073	0.3
91.05486	0.7
91.71813	0.2
93.07072	0.9
101.02374	0.6
103.05479	3.0
105.07053	0.4
106.07353	0.3
107.08611	0.3
117.07016	0.5
118.06546	11.9
119.07341	0.4
119.08596	0.3
120.08113	22.2
121.06532	0.3
121.08427	0.3
121.10214	0.2
132.08098	2.7
133.08899	1.5
133.09877	0.2
134.09648	0.9
134.10539	0.4
142.50569	0.2
146.06020	1.9
146.09636	2.9
147.10475	0.3
147.11852	0.2
148.11139	0.3
149.02371	0.3
160.11183	0.5
161.12044	0.2
162.09134	6.0
163.09824	0.3
176.10759	4.1
176.14351	27.5
177.11491	1.2
177.12834	0.2
177.14680	0.4
188.07071	0.5
190.12253	3.4
191.12827	0.2
192.10312	0.3
202.08705	0.3
202.10594	0.2
202.15860	0.9
204.13882	0.2
205.15915	1.8
220.16963	100.0
221.17314	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0924
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
53.03942	1.0
53.66108	0.7
55.01860	1.6
55.05500	2.9
55.93525	1.9
56.05033	1.3
56.96310	1.1
56.96570	16.4
57.03428	3.1
57.07066	2.1
60.04516	1.6
60.95850	1.8
61.02936	4.5
67.05492	2.4
69.03440	7.3
69.07055	2.4
69.46523	1.7
69.46923	5.1
70.06593	4.1
70.95872	1.8
72.08160	5.2
72.93789	3.3
73.02908	3.4
73.04752	0.9
74.02429	1.2
74.06086	1.4
79.05487	2.3
81.03407	3.2
81.07050	1.9
82.02928	1.7
83.04965	1.6
83.06082	1.3
83.08582	1.8
84.04496	1.7
84.08160	3.9
84.96067	1.0
85.02905	7.6
86.09711	1.6
90.05541	1.9
90.94815	2.1
91.05461	7.9
92.05829	1.2
93.07059	1.9
94.04153	1.3
94.06570	4.5
95.04957	3.3
95.08617	1.0
97.02904	8.7
98.06056	8.1
98.97593	25.0
99.04435	1.4
99.06390	3.3
99.97917	1.4
100.02164	3.8
100.97196	1.8
100.97980	1.0
101.00886	2.3
101.02402	1.1
101.97227	0.8
102.94862	1.0
102.96893	4.4
103.00566	0.9
103.05465	2.3
104.04990	1.1
104.91395	0.8
105.07027	2.9
107.04967	14.9
107.08585	1.9
108.05288	1.0
109.02895	1.6
109.06517	1.8
109.10154	2.0
110.07169	3.5
110.97571	3.4
111.03041	0.8
111.08078	4.5
112.07613	7.7
113.07944	1.9
115.05457	2.3
116.07143	1.1
116.98627	10.1
118.98232	1.5
119.01904	3.3
119.04947	6.9
119.08636	1.9
120.08078	1.9
120.97929	1.7
121.01617	1.8
121.02876	0.8
121.06499	5.8
121.10150	1.5
122.03596	0.8
123.04439	2.9
123.08055	1.7
127.03943	1.8
128.98564	2.2
130.06538	75.3
130.08624	3.4
130.93225	1.1
131.00192	1.0
131.01892	3.0
131.04909	3.4
131.06891	1.2
132.04466	44.6
132.95828	3.2
133.01593	1.3
133.06494	3.7
133.10100	1.4
134.06052	2.5
134.99637	2.4
135.03310	0.9
135.04442	1.3
135.08072	2.1
136.07564	1.8
137.05989	15.2
137.09613	1.9
138.06329	1.8
139.06462	1.0
143.00166	1.7
143.01871	1.6
144.95844	0.9
145.03383	1.2
146.06042	1.5
146.99692	2.1
147.04425	11.5
147.08041	2.8
147.11624	1.0
148.04771	2.4
148.07550	3.3
149.04915	1.0
149.06027	1.4
150.96916	1.3
151.03882	1.8
151.07538	1.5
152.02219	1.0
153.09160	2.1
155.01871	1.2
155.97432	1.8
156.03362	2.5
156.06720	1.1
156.97563	1.6
157.06541	2.4
157.07628	41.1
157.99051	2.2
158.06024	89.2
158.99565	3.6
159.06354	1.4
159.99986	1.1
160.99139	1.0
161.01375	1.0
161.02975	2.3
161.04816	1.0
161.05949	5.1
161.09584	1.0
162.05496	2.8
162.51126	0.9
162.98958	1.1
163.07524	1.5
165.09108	1.2
168.03355	1.3
171.00914	1.2
173.01102	1.4
173.02895	1.9
173.98450	2.0
174.04454	1.6
174.96909	0.9
174.98892	2.4
175.08696	100.0
175.14854	1.7
176.00096	2.1
176.07091	2.7
176.09102	1.2
176.10600	1.2
177.00630	3.5
177.05421	1.0
179.00032	3.0
179.02296	1.9
179.07027	2.2
181.00005	1.1
185.02968	0.8
185.98453	1.1
186.04376	2.8
186.05763	1.2
186.96927	0.9
186.98923	1.9
189.00513	0.9
191.02213	1.0
193.00018	1.4
193.08475	1.2
193.15860	2.2
197.95895	0.9
198.96921	4.0
198.98897	0.8
202.01611	4.8
203.01888	6.2
203.08255	13.5
204.06746	6.1
206.16168	4.3
209.05223	2.3
210.04688	0.9
211.94023	2.8
216.97960	3.7
216.99974	1.4
218.05850	1.5
220.98547	2.0
221.04782	3.8
221.09332	19.6
221.12488	1.6
221.15175	4.0
221.18292	1.7
221.98013	1.2
222.11311	1.5
229.90559	1.0
235.93922	1.1
237.02885	2.0
238.99709	1.7
239.02084	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03938	2.4
55.01854	1.2
55.05511	9.1
57.07058	2.8
59.05010	1.4
67.05509	9.6
69.07070	10.4
71.04992	12.4
77.03925	1.5
79.05500	16.0
81.07062	42.4
82.09277	0.9
83.05012	1.5
83.08643	5.7
85.06544	1.4
91.05476	11.8
93.07050	31.7
95.04991	1.4
95.08616	23.4
97.06529	1.4
97.10232	1.2
98.20715	2.1
98.97589	1.0
99.08076	3.3
102.11591	1.0
103.05479	0.9
105.07037	18.7
107.08598	55.7
109.06515	3.0
109.10155	14.7
111.08072	2.7
113.09698	1.1
115.05470	1.4
117.07065	1.3
119.08590	31.4
121.10149	9.2
123.08083	2.5
123.11715	16.5
125.09623	1.7
127.11185	3.4
131.04822	1.3
131.08604	1.1
132.05725	1.1
133.06506	2.9
133.09138	1.3
133.10138	21.8
133.27356	1.1
135.11699	100.0
136.12047	1.1
137.09621	2.8
137.13258	4.5
139.11171	1.5
145.10098	2.1
147.04439	1.3
147.11713	17.5
149.13264	6.2
151.03915	1.3
151.11169	3.1
159.11629	1.1
160.05115	1.3
161.05986	4.7
161.13274	10.6
163.14827	3.5
165.12761	2.9
175.07518	2.0
175.14882	3.2
177.05466	1.5
177.16411	1.6
189.05531	1.4
191.08920	0.9
193.06581	1.0
193.08673	3.2
203.06909	1.3
203.16060	1.3
203.17976	27.7
206.05656	1.0
214.09932	0.9
221.06126	2.1
221.08092	4.6
221.15587	2.4
221.19023	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	221.1903
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03947	3.0
55.05518	12.0
57.07072	3.7
67.05502	10.0
69.03412	1.4
69.07075	10.1
70.31316	2.8
71.05001	20.6
79.05487	12.8
81.06593	3.7
81.07062	63.3
83.04980	2.3
83.08617	6.3
91.05507	9.6
93.07052	36.1
95.05000	2.2
95.08618	27.9
97.06565	3.8
97.10197	2.4
99.08090	4.0
105.07040	25.2
107.08606	54.7
109.10167	20.9
111.08080	2.6
113.09618	2.1
114.64619	1.5
117.07015	2.3
119.08590	41.9
121.10184	9.3
123.11716	15.0
125.09631	3.1
127.11188	6.6
133.06448	2.5
133.10144	26.5
135.11703	100.0
137.09642	2.8
137.13310	3.4
140.69841	1.6
147.11687	19.9
149.13258	6.8
151.11148	4.3
161.06007	3.9
161.13284	11.9
163.14809	5.2
165.09138	2.0
165.12706	4.0
175.14862	4.1
177.16415	2.1
203.17970	30.3
221.08069	3.7
221.15457	3.4
221.19035	47.1
232.42148	1.5
238.16812	1.5
239.52397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.95967	1.5
53.03936	2.1
55.05515	10.7
57.07085	3.5
59.05014	1.7
62.10652	1.6
67.05514	9.2
67.29229	1.6
69.07075	11.0
70.05896	8.2
70.15535	1.6
71.04993	21.4
79.02605	1.8
79.05505	14.5
81.07055	49.7
83.04951	2.1
83.08623	4.7
90.55883	1.7
91.05472	8.3
93.07044	39.3
93.07622	2.0
95.08612	25.9
97.10204	1.9
99.08097	4.6
105.07032	20.1
107.08591	62.7
109.06532	2.7
109.10143	20.4
119.08572	37.8
121.10125	9.5
123.08102	2.2
123.11720	17.6
127.11160	3.3
133.10139	25.3
135.11691	100.0
137.09618	2.6
137.13274	2.3
145.10118	2.5
147.11711	19.2
149.13263	7.3
151.11192	4.0
161.13274	11.5
163.14790	4.9
165.12692	2.2
175.14894	2.3
176.60783	1.6
177.16336	2.9
203.17967	36.4
221.19006	45.7
221.22115	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	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.00302	1.2
53.03950	2.1
55.05512	11.8
57.07066	5.0
57.44622	1.1
65.03944	1.6
67.05508	10.5
67.30371	1.3
69.07075	14.9
69.29469	7.4
69.29890	3.6
71.04990	21.7
71.08134	1.2
79.05492	17.1
81.07058	69.7
83.04963	2.5
83.08617	5.3
91.05480	13.0
93.06483	2.6
93.07047	41.2
95.04954	2.5
95.08607	31.6
97.06517	3.5
97.10174	2.9
98.20830	2.4
99.08096	4.7
105.07027	29.2
107.04919	1.4
107.08595	62.3
108.08994	1.3
109.06519	2.9
109.10159	27.5
111.08079	3.7
113.09656	1.9
113.66445	1.2
115.05504	1.7
117.07024	3.1
119.06037	1.3
119.08582	44.6
121.10142	12.9
121.78339	1.2
123.08038	2.0
123.11708	18.5
125.09606	1.8
127.11196	6.0
131.04912	2.4
131.08537	1.5
133.06454	2.5
133.10127	28.3
135.11694	100.0
137.09619	2.9
137.13226	4.2
138.81049	1.1
139.11171	2.2
145.10098	2.3
147.04343	2.3
147.08044	1.6
147.11681	27.1
149.13245	10.8
151.11157	4.7
161.05986	3.9
161.09618	1.2
161.13263	13.3
163.14795	6.6
165.09097	1.8
165.12753	2.8
170.47816	1.1
175.07462	2.0
175.14822	4.8
176.04433	1.4
177.05309	1.3
177.16414	2.9
179.14340	1.2
190.06322	2.8
193.08606	3.2
193.15846	1.4
203.07048	1.6
203.17958	39.6
206.16263	2.1
219.72769	1.4
221.06058	2.3
221.08144	3.4
221.15417	5.0
221.19011	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
55.20024	0.7
56.96580	0.7
58.02702	0.8
58.02968	8.3
58.86537	0.7
59.05003	1.1
67.05475	1.3
69.03439	0.9
70.06603	5.5
70.95861	2.1
71.04987	0.9
71.50679	0.7
72.04502	0.7
72.08152	2.2
72.93777	1.2
73.05303	26.0
74.06084	3.1
75.04486	3.2
75.18996	0.6
79.05488	3.2
81.03413	0.9
84.04514	1.6
84.08142	1.7
85.02915	1.1
86.06057	0.8
91.05484	7.9
93.07039	1.6
94.06634	0.6
95.04949	1.1
96.04521	0.6
97.02878	1.1
98.97591	1.5
103.05472	13.7
105.07034	5.7
107.04962	7.3
108.05287	0.7
109.06569	0.7
115.05468	4.5
115.85514	0.6
116.06199	1.0
117.07026	14.2
119.08575	1.0
120.08112	33.5
121.06498	0.7
121.28534	0.6
129.06990	2.1
130.06522	4.0
131.04962	4.2
134.09645	2.9
138.05495	0.7
143.07317	1.8
144.08095	100.0
145.08434	1.6
146.06010	0.8
147.08054	1.8
148.07581	1.9
149.02373	1.3
149.05997	0.8
155.06084	1.0
158.05963	0.8
159.06456	0.7
159.08049	1.0
161.06001	0.9
162.09145	6.9
166.08646	1.0
167.07011	1.1
174.09033	0.8
176.07080	2.7
176.09131	1.6
176.10709	33.9
190.08656	1.9
194.11745	4.9
198.96895	14.6
204.06993	1.0
204.10246	1.5
208.04823	0.7
216.97945	11.7
216.99791	1.3
221.98497	1.8
222.05811	1.0
222.07707	2.3
222.11281	17.5
223.05995	1.1
225.04332	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0967
Annotation	Apiole
Peak:m/z	Relative Intensity
53.03933	0.9
53.07674	0.8
55.01863	2.9
55.05505	2.2
57.03436	1.0
57.07068	1.1
64.18095	0.9
65.03935	1.7
67.05511	4.4
69.03427	1.7
69.07063	2.3
69.34820	6.9
69.35171	0.8
70.06598	1.3
71.04978	1.6
79.05495	6.2
81.07066	4.7
83.01350	6.4
83.04978	2.0
83.08617	0.9
85.02895	1.7
85.06533	0.9
91.05486	16.4
93.07055	6.9
95.04992	3.8
95.08608	4.2
97.06565	0.8
103.05451	1.8
105.03394	1.0
105.04557	0.9
105.07044	6.8
107.04955	3.6
107.08592	4.8
109.06525	4.3
109.10165	3.0
111.04431	1.3
111.08059	1.1
115.05466	4.8
117.07024	9.0
119.04955	32.2
119.08575	4.7
121.02857	1.2
121.06524	8.1
121.10134	3.3
123.04485	1.1
123.08076	5.1
123.11735	1.1
129.06970	1.4
131.04881	1.1
131.08571	1.4
133.06479	3.0
134.07288	4.6
135.04431	1.6
135.08046	3.3
135.11678	2.3
137.05966	4.3
137.09587	2.0
139.07561	1.0
145.06488	4.2
145.10120	1.4
147.04431	2.1
147.08084	4.3
149.02324	3.8
149.06003	6.5
149.09648	1.3
150.06796	1.5
151.03918	1.8
151.06290	1.4
151.07550	29.7
159.11743	1.0
161.06032	2.6
162.03218	1.0
162.06784	7.2
163.07533	2.6
163.11224	1.8
165.05492	0.9
165.06992	1.0
165.09138	2.7
167.08690	0.8
167.10701	1.8
175.07553	9.2
177.06912	0.9
177.09146	2.7
177.12793	0.9
178.06255	2.5
179.07060	12.8
180.07802	7.6
193.08643	9.4
195.06517	1.4
195.08102	1.1
202.96719	0.9
205.08586	5.5
205.12253	2.0
205.16006	1.1
221.08150	3.8
223.05994	7.7
223.09657	100.0
223.13278	4.1
223.16931	3.1
224.10011	2.0
225.04314	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	223.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.07674	0.8
55.01863	2.9
55.05505	2.2
57.03436	1.0
57.07068	1.1
64.18095	0.9
65.03935	1.7
67.05511	4.4
69.03427	1.7
69.07063	2.3
69.34820	6.9
69.35171	0.8
70.06598	1.3
71.04978	1.6
79.05495	6.2
81.07066	4.7
83.01350	6.4
83.04978	2.0
83.08617	0.9
85.02895	1.7
85.06533	0.9
91.05486	16.4
93.07055	6.9
95.04992	3.8
95.08608	4.2
97.06565	0.8
103.05451	1.8
105.03394	1.0
105.04557	0.9
105.07044	6.8
107.04955	3.6
107.08592	4.8
109.06525	4.3
109.10165	3.0
111.04431	1.3
111.08059	1.1
115.05466	4.8
117.07024	9.0
119.04955	32.2
119.08575	4.7
121.02857	1.2
121.06524	8.1
121.10134	3.3
123.04485	1.1
123.08076	5.1
123.11735	1.1
129.06970	1.4
131.04881	1.1
131.08571	1.4
133.06479	3.0
134.07288	4.6
135.04431	1.6
135.08046	3.3
135.11678	2.3
137.05966	4.3
137.09587	2.0
139.07561	1.0
145.06488	4.2
145.10120	1.4
147.04431	2.1
147.08084	4.3
149.02324	3.8
149.06003	6.5
149.09648	1.3
150.06796	1.5
151.03918	1.8
151.06290	1.4
151.07550	29.7
159.11743	1.0
161.06032	2.6
162.03218	1.0
162.06784	7.2
163.07533	2.6
163.11224	1.8
165.05492	0.9
165.06992	1.0
165.09138	2.7
167.08690	0.8
167.10701	1.8
175.07553	9.2
177.06912	0.9
177.09146	2.7
177.12793	0.9
178.06255	2.5
179.07060	12.8
180.07802	7.6
193.08643	9.4
195.06517	1.4
195.08102	1.1
202.96719	0.9
205.08586	5.5
205.12253	2.0
205.16006	1.1
221.08150	3.8
223.05994	7.7
223.09657	100.0
223.13278	4.1
223.16931	3.1
224.10011	2.0
225.04314	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	223.1079
Annotation	Phe Gly
Peak:m/z	Relative Intensity
58.65829	0.2
63.02078	0.2
63.33497	0.2
69.03426	0.3
70.03078	0.4
70.03471	0.4
70.06604	0.5
76.41957	0.2
79.05479	0.3
84.08155	0.6
86.09737	0.2
91.05468	0.7
93.07044	1.6
95.05003	0.2
95.30756	0.2
98.20774	0.2
103.05474	5.8
103.06155	0.3
105.07043	0.3
107.04954	0.7
120.08114	100.0
121.08449	0.6
129.10255	0.3
131.04927	0.2
140.01060	0.2
146.46588	0.2
149.02325	0.3
166.08647	1.6
177.10342	0.5
202.39781	0.2
206.08264	0.3
223.06119	0.3
223.10811	1.5
225.04303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44871	0.4
55.01863	0.6
55.05501	0.6
55.93522	0.5
56.05037	0.6
56.24063	0.5
56.94287	0.8
56.96570	33.2
59.05002	0.5
60.04530	0.7
62.94152	0.4
62.94464	0.5
67.05497	1.1
69.03410	1.4
69.05153	0.4
69.79106	2.3
70.06609	3.3
70.95876	0.8
71.04974	0.8
72.08160	2.8
72.93781	1.4
73.02905	0.5
74.03294	0.4
74.06071	0.8
74.97620	2.2
79.05499	0.7
81.03368	0.7
81.96074	0.8
83.97626	1.8
84.04503	1.2
84.08141	6.3
84.96013	1.5
85.02906	1.4
86.09727	2.4
87.09980	0.5
90.94830	0.7
91.05479	1.0
95.04949	0.8
97.02895	1.2
98.97590	4.7
107.04942	1.4
110.06013	0.7
110.07173	0.8
110.97549	0.9
112.07665	0.5
112.99161	0.4
116.98646	2.1
120.08131	0.9
121.08425	1.0
123.04469	0.5
127.04032	0.4
128.98598	1.0
129.10207	2.1
129.97974	0.4
130.06573	0.5
132.08076	1.4
132.95894	0.5
134.99648	0.9
135.03001	0.7
136.07597	0.9
140.00229	0.5
141.10196	0.5
143.00198	0.7
144.95923	0.7
150.09164	0.5
152.05774	0.7
152.06999	0.5
153.04070	0.9
153.10249	0.9
155.00101	0.6
158.01268	0.8
161.01256	0.8
161.04620	0.7
161.23241	0.4
164.05710	3.5
164.98486	0.7
164.99675	3.1
165.05521	0.7
167.06995	0.5
170.99693	0.5
173.01288	0.6
177.00714	0.7
178.07303	1.0
178.08681	1.7
183.00833	12.7
191.02307	0.6
196.14311	0.6
200.94850	1.1
201.01868	100.0
202.02103	0.5
203.02211	0.9
206.08186	0.6
218.96138	2.1
219.02927	74.3
220.03349	0.6
224.00169	0.8
224.03474	4.8
224.07530	1.4
224.09464	2.7
224.12880	1.2
224.17714	3.1
226.04425	1.5
242.04617	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	225.0093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28508	2.0
56.60459	2.2
56.96573	24.2
70.19144	9.7
71.95255	3.0
74.93182	2.8
80.48749	2.5
82.99835	4.5
84.96043	20.4
98.97584	50.5
101.00901	42.2
116.98623	15.6
119.01926	69.5
121.35789	2.1
124.99113	2.9
134.99809	5.2
136.99097	2.6
137.02953	6.5
138.07942	2.3
140.98830	6.9
142.03508	6.8
158.99913	20.7
160.00050	3.8
160.04495	3.1
161.02982	3.6
164.98640	4.4
168.98154	3.6
174.97676	2.5
174.99133	2.7
177.00964	91.6
178.01027	13.3
179.04057	2.7
180.20490	2.2
182.99670	19.4
184.04460	3.6
186.99190	5.3
201.00829	18.4
201.02480	4.9
202.01047	3.3
202.05577	8.6
209.99568	4.1
215.12015	2.5
217.04079	11.4
219.02022	100.0
220.02113	34.2
225.00934	5.9
234.00645	2.4
243.02011	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	225.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.01862	6.3
55.05509	3.2
55.93504	1.9
56.05025	4.5
56.94294	3.8
56.96567	89.5
56.96850	4.3
57.03429	6.9
60.04506	3.2
61.02914	3.3
64.07413	1.7
67.05504	4.9
69.03433	14.1
69.07056	6.5
70.06591	12.1
70.95844	3.9
70.98103	1.9
71.04991	5.1
71.50558	3.3
71.95261	6.0
72.08143	6.4
72.93777	7.8
73.02927	10.2
74.02446	2.3
77.03934	3.2
79.05492	8.2
81.03419	10.2
81.07042	6.6
82.02942	1.7
82.06572	4.1
83.04974	7.9
83.08627	2.0
84.04503	17.4
84.08147	24.5
84.96043	35.3
85.02901	14.0
86.03693	2.0
86.09708	24.5
87.18474	1.9
90.94804	2.3
91.05479	10.3
93.07055	4.2
95.01306	1.8
95.04990	10.1
95.08601	3.0
97.02900	13.7
97.06538	5.3
97.96804	3.3
98.06042	7.2
98.09660	1.8
98.97591	100.0
99.04453	8.4
100.11257	2.0
102.97074	4.2
103.05462	7.0
105.03387	10.8
105.07039	5.8
107.04944	8.2
107.08556	4.6
109.02237	1.8
109.02900	4.2
109.06489	4.4
109.10140	3.0
110.03657	1.7
110.06078	9.3
110.07162	7.1
110.97578	30.2
111.04446	4.3
112.99123	6.3
115.02305	3.8
115.05444	4.7
115.69620	1.8
116.97836	3.3
116.98629	49.6
117.07073	2.3
119.01839	3.7
119.04939	7.3
120.01525	2.7
120.08087	7.3
121.06483	2.8
121.10088	2.2
122.03660	3.8
123.04462	8.4
123.08064	5.7
123.11723	2.1
124.99132	4.7
125.02395	2.8
125.05983	11.4
127.00719	2.2
127.03897	7.1
127.04870	1.7
128.02333	1.9
128.96367	2.6
128.97716	3.2
128.98601	31.9
129.06653	2.5
129.10245	4.5
130.08658	2.7
130.93288	2.5
131.00165	8.0
131.04922	11.2
132.95845	2.1
133.02878	62.9
133.06425	3.7
134.03142	3.9
134.99690	15.5
135.04425	2.2
136.42516	1.7
137.02373	4.3
137.05983	39.6
138.02547	2.0
140.00238	2.2
140.98804	2.0
142.02809	4.2
143.00166	12.7
143.04871	3.2
144.95828	2.7
144.98061	2.3
145.06523	2.4
146.99640	16.2
147.03090	9.5
147.04198	10.4
147.08080	2.4
147.53230	2.0
148.02850	2.8
149.01157	3.9
149.05942	8.1
151.03926	2.7
151.07526	5.5
153.01976	1.7
154.02780	3.5
155.00188	12.0
156.03606	3.7
157.01657	1.9
158.99654	7.1
159.04395	7.4
161.01227	9.6
161.04697	2.9
161.05911	3.3
162.05522	2.6
163.07491	3.3
163.11208	10.2
165.00740	2.2
165.05467	11.7
166.06218	6.1
167.07063	4.5
167.10661	2.7
168.02585	5.2
169.03310	2.3
173.01208	13.0
173.98509	4.1
174.96747	1.9
175.03456	3.2
175.07524	4.3
177.00716	7.5
177.03148	5.8
177.05452	6.6
179.00226	2.5
179.07028	4.5
179.08949	2.0
180.04207	2.9
182.99641	16.3
183.06512	4.3
184.00461	3.5
184.03870	19.6
184.95302	2.2
185.01204	4.4
189.00645	2.5
189.12738	1.9
191.02158	4.3
191.07019	9.5
193.04417	59.0
193.54567	5.9
197.05943	2.8
197.12880	2.9
201.00537	23.0
202.01759	7.1
202.04950	40.2
202.55136	5.3
203.02296	2.0
203.07059	6.3
207.06453	4.8
207.11441	2.3
207.13722	3.1
209.05765	2.4
213.55765	3.1
217.03802	2.5
219.01624	4.4
220.03123	4.9
222.02364	3.1
225.00674	3.3
225.04260	6.2
225.07135	8.6
225.09132	3.8
225.12358	7.9
225.14485	2.3
225.20601	5.7
226.28325	2.5
227.04131	3.8
237.02840	2.7
241.03857	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	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60511	0.8
55.93523	0.9
56.96556	3.3
70.21040	3.3
80.54163	0.8
82.99845	3.8
83.51298	0.9
84.08116	0.8
84.96040	8.6
98.97580	8.1
101.00887	38.5
101.62122	0.8
102.00942	1.6
105.03342	0.8
115.02406	0.9
116.98676	5.2
119.01929	60.7
120.02014	1.3
124.02471	0.9
134.99835	4.8
136.88852	0.8
137.02971	9.0
140.98862	8.2
142.03505	8.0
145.48692	0.9
157.01865	1.0
158.99892	20.8
160.00005	1.1
160.04601	1.5
161.02969	4.4
164.98624	1.3
175.02931	1.0
177.00967	94.5
177.93362	1.3
178.01085	4.9
179.03967	4.2
182.99709	7.8
183.01353	1.7
184.04538	1.8
193.04012	0.9
195.01982	1.1
197.73216	0.8
201.00844	12.5
201.02509	3.6
202.00916	1.1
202.02519	2.4
202.05627	1.7
217.04115	12.1
218.04205	1.0
219.02019	100.0
219.94586	4.3
220.02138	11.2
221.01942	1.5
225.00539	4.0
225.02669	1.8
225.04271	1.4
234.00696	2.3
237.95514	1.2
242.03558	1.2
242.96565	0.9
243.01978	23.1
243.04294	1.3
244.02135	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03937	2.8
55.01874	2.7
55.05523	2.2
56.86441	0.9
57.03421	1.6
57.07078	1.5
65.03944	4.3
67.05518	3.4
69.03436	2.3
69.07063	3.7
70.06590	1.6
71.04980	2.8
71.51048	1.2
77.03925	2.9
79.05506	6.3
81.03410	2.4
81.07049	4.9
83.04987	7.3
83.08633	1.3
84.04517	2.4
84.08140	3.0
85.02927	1.5
85.06544	1.2
86.09699	2.4
89.03905	2.9
90.04664	1.5
91.05486	59.4
92.05812	1.0
93.03400	1.1
93.07040	3.3
95.04977	6.8
95.08598	3.5
95.97209	1.1
97.02893	1.2
97.06546	5.0
98.09702	1.2
99.04453	3.5
103.05479	2.3
105.03397	5.0
105.07026	5.5
107.04969	8.5
107.08598	4.4
108.05753	1.4
109.06522	4.7
109.10182	2.9
111.04437	2.3
111.08070	1.6
111.32500	0.9
118.04164	8.1
119.04951	59.7
119.08575	4.2
121.02856	2.6
121.06498	3.6
121.10162	4.2
122.03612	1.1
123.04425	4.3
123.08101	7.4
123.11720	1.6
125.06000	10.7
129.03395	1.4
132.02074	4.7
133.02878	2.8
133.06546	1.4
133.10100	2.6
135.04404	4.3
135.08043	2.6
136.05281	1.8
137.05992	6.4
139.07532	2.4
140.04686	1.3
141.06967	1.5
145.02831	1.5
145.10146	2.0
146.03633	2.0
147.04413	51.4
147.11610	1.6
148.05147	2.3
149.02351	7.9
149.09683	1.9
151.03917	2.0
151.07565	11.5
153.05446	2.2
155.07048	1.8
157.03954	5.5
161.13283	1.3
163.03867	3.1
163.11192	15.3
164.04646	7.0
164.08337	2.3
165.01823	1.5
165.05479	4.8
165.09116	2.7
167.07016	5.5
167.10698	1.7
169.06453	1.1
175.03911	83.3
177.01851	3.3
179.07013	7.0
179.14328	1.5
180.04118	5.9
180.07869	2.5
181.08614	10.7
181.12244	4.5
183.06517	3.9
189.12810	2.6
192.04182	24.8
193.04907	7.4
195.06577	2.6
195.10197	5.2
197.08116	1.3
207.06540	100.0
207.13826	4.7
225.04187	1.3
225.07329	4.9
225.09338	2.5
225.11203	3.0
225.14671	6.0
242.11678	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0758
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.72351	1.0
51.02382	1.2
53.03949	1.5
65.03939	3.8
68.56895	1.2
69.03426	1.6
69.07041	1.3
71.04998	1.2
74.63614	1.3
77.03922	3.3
79.05500	3.1
81.07074	2.5
83.05000	1.6
87.59943	1.0
89.03944	3.4
91.05486	59.5
93.07042	2.5
95.04960	3.1
95.08601	1.3
99.04459	2.2
102.77000	1.2
103.05463	3.8
104.02619	1.4
105.03398	3.2
105.07013	1.2
107.04945	3.4
107.08569	2.2
109.06544	3.0
118.04190	6.5
119.04951	63.3
119.08590	2.0
121.02875	2.8
123.04439	2.3
123.08052	2.2
123.11700	1.3
124.03662	1.1
125.06007	3.6
129.03413	1.3
132.02092	5.1
133.02843	1.8
135.04393	1.4
136.05244	1.3
137.06058	2.8
145.02846	1.5
146.03654	2.8
147.03239	2.7
147.04422	53.6
149.02328	10.2
151.07545	1.6
157.03995	6.1
163.03975	2.8
163.11197	4.5
164.04709	6.1
165.05486	2.5
174.03125	1.5
175.03918	89.9
177.01813	4.5
179.07108	6.3
180.04126	1.4
181.08589	1.5
181.12381	1.3
192.04195	28.7
193.05086	1.9
207.06534	100.0
208.06900	3.6
225.07472	2.2
225.14832	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1123
Annotation	Erigerenone C
Peak:m/z	Relative Intensity
53.03960	1.7
54.40266	0.4
55.01873	1.3
55.05505	3.2
56.45821	0.5
57.03443	0.9
57.07081	1.7
59.05007	2.1
65.03940	2.4
67.05507	6.2
68.99799	0.8
69.03435	1.7
69.07070	3.0
69.56898	3.2
71.04993	2.2
73.01435	0.5
75.04490	0.7
77.03959	0.9
78.04723	0.9
79.05493	8.3
80.06303	0.5
81.03429	0.7
81.07053	4.8
83.04980	7.6
83.08607	1.3
84.04510	1.3
84.08141	1.5
85.02914	1.4
85.06544	2.3
86.09716	1.3
89.03972	0.8
89.06026	0.5
91.05482	22.5
93.03407	2.9
93.07047	5.4
95.04963	5.7
95.08609	15.4
97.06522	4.8
97.10175	0.7
99.04439	2.9
103.05453	2.5
105.03400	2.5
105.04495	0.9
105.07037	10.3
106.04151	1.0
107.04967	9.6
107.08594	4.2
108.05761	3.2
109.06522	6.4
109.10149	1.5
111.04466	1.8
111.08103	1.8
113.06034	1.2
115.05463	1.9
117.07024	1.5
118.04153	2.0
119.04946	13.2
119.08581	4.5
120.05694	1.4
120.08126	0.8
121.02918	0.8
121.06516	9.3
121.10139	3.9
122.03651	0.8
123.04453	2.9
123.08076	12.6
123.11720	1.1
124.05218	1.9
125.02381	0.5
125.05997	15.5
125.09615	0.9
131.04961	0.6
131.08556	0.8
132.02147	0.7
132.05675	0.8
133.02850	1.1
133.06502	5.5
133.10115	1.2
134.03621	0.8
134.07240	2.5
135.04430	5.0
135.08057	5.2
135.11682	2.0
136.01547	0.5
136.05202	4.7
137.05997	5.4
137.09619	1.8
137.13216	0.7
138.06766	1.2
139.07533	7.3
141.06949	0.9
141.09081	0.7
142.12686	0.5
145.10114	2.4
146.03587	0.8
147.04427	11.4
147.08041	3.1
147.11682	2.0
148.05135	1.0
149.02303	1.2
149.05949	2.1
149.09673	3.1
150.06778	11.7
151.03981	1.9
151.07549	100.0
152.04703	1.4
152.08344	4.1
153.05479	15.0
153.06763	0.8
153.09120	1.2
154.06227	0.9
161.05991	4.9
161.13269	2.1
162.06766	21.2
163.03879	1.4
163.07552	3.0
163.11186	19.1
164.04675	1.6
164.08322	1.1
165.01872	1.1
165.05421	2.1
165.09125	40.7
165.12761	1.2
167.07045	44.9
167.10709	1.1
168.07826	21.6
169.04999	1.1
169.08595	1.0
171.11697	0.6
175.03906	12.3
175.07492	0.7
176.08376	4.7
177.01888	0.8
177.05472	4.2
178.06224	2.3
179.07025	2.2
179.10695	1.1
179.14316	1.2
180.04184	4.2
180.07816	0.6
181.04985	0.5
181.08585	3.8
181.12172	3.0
181.79849	0.5
182.05827	0.8
182.09410	3.0
183.06534	0.9
183.10201	4.6
183.11679	0.9
189.08922	0.7
189.12686	2.5
192.04172	4.5
192.07813	8.1
193.04933	2.0
193.08617	37.4
194.05592	0.5
194.09349	4.4
195.06548	0.7
195.10184	4.3
207.06535	15.5
207.10066	4.5
207.13797	4.5
210.05302	1.1
210.08853	12.2
225.07898	3.3
225.11208	46.9
225.14439	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	225.1123
Annotation	Erigerenone C
Peak:m/z	Relative Intensity
53.03939	2.2
55.01858	1.2
55.05506	2.0
61.02924	2.8
62.66778	1.3
65.03939	3.2
67.05500	3.9
69.03426	1.7
69.07069	1.9
70.95128	2.6
70.95473	1.3
71.04993	1.4
78.00490	1.2
79.05491	6.8
81.03399	1.3
81.07049	3.3
83.04994	2.3
84.08150	1.3
85.02886	1.6
91.05489	13.8
93.03390	1.9
93.07029	3.4
95.04977	4.4
95.08607	3.4
97.06561	1.6
99.04462	2.1
103.05474	2.9
105.03435	1.6
105.07042	10.3
107.04958	7.6
107.08619	3.5
108.05742	3.1
109.06522	5.8
111.04430	2.7
111.08133	1.3
119.04958	4.2
119.08574	2.7
121.06504	10.5
121.10147	2.7
122.07304	1.4
123.04478	1.3
123.08093	5.8
125.05978	4.1
133.06491	5.9
134.03632	1.3
134.07248	2.2
135.04428	4.0
135.08086	7.8
136.05194	3.7
137.06042	3.5
139.07527	4.5
145.10161	1.3
147.03322	1.3
147.04417	5.3
147.08040	2.7
149.06038	2.0
149.09654	1.6
150.06776	14.0
151.03964	3.0
151.07559	100.0
152.08267	4.5
153.05476	19.1
161.05975	3.8
161.13306	1.6
162.06783	18.8
163.07649	1.8
163.11191	4.8
164.08353	1.6
165.05476	1.7
165.09129	46.3
165.10515	2.3
166.09549	1.8
167.07056	48.9
168.07826	21.6
169.08492	1.3
174.10242	1.2
175.03909	4.6
176.08342	6.8
177.05470	5.5
178.06285	2.7
179.07042	1.4
179.10634	2.3
180.04243	1.4
181.08612	6.7
183.10197	5.0
189.12750	2.1
192.07819	8.0
193.05026	1.6
193.06847	2.7
193.08626	43.8
194.09413	4.3
195.10178	5.8
207.06567	5.3
207.10202	5.7
207.13866	3.9
210.08803	11.4
225.11253	49.4
225.14877	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
51.22728	0.7
52.19319	0.7
53.03948	2.2
55.05511	5.2
57.03424	3.4
57.07066	1.8
59.04986	1.0
65.03931	2.2
65.83438	0.8
66.68993	0.8
66.78065	0.7
67.05499	6.4
68.99774	0.8
69.03438	3.7
69.07066	3.8
70.06593	1.4
70.71531	0.8
71.04995	3.6
71.51257	0.9
79.05486	5.9
81.03410	1.2
81.07063	10.0
83.04984	29.5
83.08619	2.0
84.08140	1.1
85.02895	1.6
85.06538	2.9
91.05487	10.0
93.07048	6.1
94.04176	0.9
95.04970	7.3
95.08614	10.8
96.77623	0.8
97.02897	1.8
97.06525	3.5
98.97583	2.4
99.04453	2.7
99.08092	11.0
101.06040	1.0
105.03404	2.4
105.07040	6.7
107.04956	4.8
107.08589	11.7
109.06522	29.7
109.07269	1.5
109.10145	3.0
111.04449	17.6
111.08060	1.8
113.09676	1.2
119.04916	4.9
119.08590	4.9
121.06523	5.9
121.10133	12.2
123.04438	2.0
123.08069	100.0
123.11709	3.4
124.08376	1.2
125.05997	2.3
125.09627	8.4
127.07552	3.1
133.02849	1.0
133.10117	2.1
135.04443	1.3
135.08078	1.8
135.11723	2.4
137.05974	2.7
137.09590	3.9
137.13274	1.1
139.07550	0.8
139.11223	1.3
141.09084	2.0
143.08601	0.8
145.10173	2.5
147.04459	4.0
147.08052	1.4
147.11653	4.2
149.06114	0.8
149.09622	11.3
149.13353	0.9
151.07542	5.9
151.11201	4.4
153.05482	1.3
158.99696	1.0
161.13286	1.7
163.03920	1.1
163.11226	5.3
164.04727	0.9
165.05479	2.5
165.09126	1.0
165.12758	4.8
167.07034	4.8
167.10667	9.2
169.08714	1.0
169.10114	1.3
171.11691	1.0
175.03914	3.6
179.07024	1.3
179.14325	1.3
180.04199	3.8
181.12300	1.6
183.11711	0.8
189.12779	2.9
192.04204	1.7
193.04962	2.6
195.06586	1.2
195.35614	1.1
207.06551	6.5
207.13773	8.2
210.06982	0.9
225.07404	1.7
225.09314	1.5
225.12869	1.4
225.14775	9.4
225.16568	0.9
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	Apiosporic acid
Peak:m/z	Relative Intensity
51.68403	2.0
55.05507	6.7
57.07082	3.2
59.04995	7.4
62.65759	2.0
67.05511	20.0
69.03452	2.5
69.07056	3.1
69.51057	11.8
71.05006	2.2
76.19056	2.2
77.71850	1.7
81.07058	3.6
82.44958	1.6
83.04974	3.7
85.06542	4.9
91.05470	5.6
93.07050	7.5
95.05013	2.1
95.08614	100.0
97.06481	2.3
97.10168	3.6
105.07032	6.7
107.08583	7.2
109.06535	5.8
113.06000	5.0
119.04954	4.1
119.08585	9.6
121.10144	7.4
123.08076	33.7
123.11733	2.5
135.11719	8.3
141.09113	6.2
147.04405	2.5
147.08084	1.8
147.11739	2.4
149.09634	10.9
151.14816	3.5
158.31224	1.7
161.13286	7.2
165.12761	4.3
175.03923	5.0
179.14304	2.8
189.12791	5.0
192.04210	2.8
207.06534	8.9
207.13817	9.2
225.14775	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03951	4.7
55.01867	7.0
55.05513	20.0
55.27757	2.4
57.07079	4.6
67.05506	38.4
69.03435	100.0
69.07072	23.6
69.79199	8.0
69.79611	6.3
71.04987	8.9
79.05495	25.8
81.03416	6.7
81.07057	45.6
83.04984	13.1
83.08624	7.0
85.06557	7.1
91.05489	22.6
93.07046	24.2
95.04984	19.7
95.08617	29.7
97.02882	9.9
97.06538	10.5
98.21525	2.7
99.04479	9.9
103.05496	2.7
105.03415	2.9
105.07043	49.4
107.04932	5.4
107.08620	19.0
109.06532	30.3
109.10171	17.1
111.08070	15.2
113.06032	5.6
117.07039	5.2
119.04941	6.0
119.08587	38.2
121.06493	7.6
121.10152	28.8
122.07279	6.8
122.42934	2.5
123.04446	20.2
123.08072	18.0
123.11744	5.8
125.06006	3.5
125.09684	5.2
129.06975	3.2
131.08595	2.9
133.06497	15.3
133.10138	63.1
135.08058	3.6
135.11705	4.8
137.05995	11.3
137.09624	48.2
138.39742	2.5
139.07582	3.0
139.11205	28.3
145.10123	9.7
147.04401	6.8
147.08049	9.0
147.11685	34.9
149.09627	9.4
151.07607	12.8
151.11134	3.9
156.09369	9.9
159.08041	4.8
159.11676	6.1
161.13274	13.0
163.11206	10.4
165.05519	3.0
165.09134	3.6
165.12799	4.0
167.07133	5.0
171.11658	13.3
174.10384	12.2
175.03900	8.7
177.12733	3.4
179.14381	3.9
180.04129	4.5
189.12740	27.1
193.04959	3.6
207.06526	12.6
207.13824	35.7
225.07533	6.2
225.14857	8.9
245.76366	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	225.1487
Annotation	MKN-003A
Peak:m/z	Relative Intensity
53.03949	1.5
55.01863	2.1
55.05510	2.9
57.03441	1.3
57.07083	6.4
59.04999	2.9
65.03947	1.6
67.05504	4.9
69.03407	2.2
69.07078	4.6
69.85709	4.1
71.04991	2.4
75.87450	0.8
79.05492	7.8
81.03419	4.1
81.07069	8.5
83.04992	30.4
84.08149	2.1
85.06577	1.6
86.09691	0.9
91.05482	9.4
93.07056	6.3
95.04993	8.9
95.08609	6.8
97.06544	14.9
99.04470	6.7
105.03408	3.0
105.07043	6.5
107.04971	6.5
107.08604	8.8
108.05724	1.2
109.06519	4.0
109.10179	2.4
111.04444	1.5
117.07051	2.3
119.04931	5.3
119.08570	3.6
121.06517	3.3
121.10148	10.0
123.04443	3.4
123.08081	19.0
123.11720	1.6
125.06003	53.6
131.08611	0.9
133.02873	1.8
133.10089	1.3
135.04440	1.5
135.08090	2.0
135.11729	3.4
137.06015	3.0
137.09625	1.7
137.13252	1.2
139.07571	2.5
143.08525	1.2
145.10136	6.4
147.04422	5.2
147.11678	2.3
149.02379	1.0
149.06012	1.1
149.09618	2.0
151.07549	23.7
153.05501	1.8
155.07059	1.5
161.13310	1.4
163.03923	2.7
163.11197	100.0
164.11539	1.8
165.01952	1.0
165.05539	2.7
165.12755	1.1
167.07063	1.6
167.10707	1.3
169.08595	2.3
170.13707	0.9
175.03952	4.2
179.07039	1.3
180.04156	5.2
181.12253	10.9
183.06548	3.2
184.45406	1.0
189.12759	3.2
192.04260	1.7
193.04993	4.0
195.06564	1.4
197.06053	1.2
197.08044	1.3
207.06465	9.3
207.13803	7.3
225.07552	3.8
225.14857	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	226.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05503	0.7
57.07073	0.6
59.62901	0.3
67.05499	0.5
70.82011	0.7
79.05487	0.8
81.07057	0.4
91.05482	0.8
100.11272	0.4
107.04967	0.5
120.05606	0.8
125.02342	0.6
130.81113	0.3
141.04216	1.1
141.07013	1.9
153.07016	3.5
154.07745	0.6
155.08568	3.7
163.14812	0.3
165.07014	11.8
166.07343	1.9
167.08585	2.1
168.05611	0.3
168.08897	1.0
169.06429	0.4
170.10442	1.5
177.06996	2.2
178.07759	0.4
180.06505	0.6
180.08922	0.4
181.06487	1.6
182.07010	1.6
182.10574	0.4
183.08046	7.2
184.12053	0.7
193.06245	0.4
193.07703	1.0
194.07278	2.4
195.08055	7.9
196.08549	0.6
196.52008	0.3
197.05981	0.5
197.09622	1.6
198.09981	3.8
199.07625	0.6
208.08850	0.3
209.09610	2.3
210.06781	3.6
211.07553	65.7
212.07986	1.8
220.47748	0.3
225.09137	9.9
226.09877	100.0
227.07057	0.8
227.10342	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03939	2.1
55.01871	2.2
55.05509	2.5
57.03415	0.9
60.85640	0.4
65.03938	1.0
67.05495	0.6
69.03403	0.8
69.07066	1.5
71.05000	2.8
71.50684	0.7
73.02917	1.4
77.03918	0.6
78.04717	3.4
79.05488	3.2
81.03426	0.6
81.07050	2.1
83.04967	1.3
83.08608	1.5
85.02909	0.7
85.06528	1.2
86.09712	3.8
89.03902	1.4
91.05486	9.2
93.07040	5.2
94.04196	0.9
95.04974	5.3
95.08611	0.9
97.06536	1.5
98.94793	0.5
98.97564	0.7
99.04462	5.2
100.11256	7.5
103.05479	8.1
105.03378	0.9
105.04531	0.7
105.07044	1.0
106.04166	2.9
107.04971	4.6
107.08583	2.5
109.06506	1.9
109.10153	0.8
111.08069	0.7
115.07568	0.9
117.03363	1.0
117.07046	0.5
119.04964	1.6
119.08550	0.5
120.05691	1.0
121.05667	0.9
121.06509	13.2
121.10132	1.3
122.03642	1.3
123.04432	9.5
123.08039	1.4
123.11724	0.7
124.05206	2.9
125.05984	0.6
125.09612	1.4
131.04942	7.5
131.05870	0.9
131.08525	0.5
133.02859	1.5
133.10138	1.8
134.03630	2.5
135.04404	1.1
137.05991	9.3
137.09605	0.5
139.07527	0.8
140.04694	4.3
142.07742	0.5
142.12277	0.6
143.08574	0.8
145.02835	1.0
147.04376	1.2
147.11703	0.7
148.05257	2.5
149.05991	16.0
149.09590	0.9
149.13182	0.6
151.03931	2.4
152.04637	2.5
153.05507	1.0
153.09097	1.2
155.07124	2.2
155.08339	0.5
159.04417	3.5
162.03136	0.8
163.03915	0.9
163.07509	0.9
165.05540	1.1
166.06224	1.1
167.07048	100.0
168.07390	1.7
169.12254	0.6
173.13290	0.5
176.04689	1.2
177.05487	27.5
178.06262	0.9
181.03625	0.5
181.04959	2.7
181.06430	0.9
181.08676	1.2
191.07002	1.2
191.10762	0.6
191.14278	0.8
192.30586	0.5
194.05714	1.8
195.06520	2.6
209.06033	0.9
209.08090	9.6
209.16661	1.0
227.06976	1.6
227.09146	2.2
227.14195	1.4
227.17799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03947	1.8
55.01872	5.9
60.51165	0.5
65.03946	7.7
67.05508	3.9
69.03423	1.9
69.69527	0.5
71.35078	1.0
73.02924	38.8
79.05437	0.8
82.04200	2.4
85.02914	4.7
86.12711	0.6
91.05470	2.2
93.03417	2.9
93.07029	1.3
95.04982	6.0
97.02909	0.6
97.06532	2.6
100.11267	1.4
103.05513	1.2
106.72765	0.6
107.04977	0.6
108.02101	1.4
110.03699	3.3
119.04936	0.7
121.06521	1.6
123.04441	8.7
125.02343	2.8
125.05995	2.7
127.13968	0.6
138.03075	1.4
140.04697	51.1
142.02612	3.5
149.05945	1.0
150.45682	0.6
153.05435	3.8
155.07039	61.4
166.06195	1.0
167.07027	1.9
171.06557	2.6
173.05847	0.6
173.08096	2.0
177.05490	0.7
179.07083	2.5
180.56520	0.6
181.04967	100.0
181.08330	3.3
182.05292	1.0
209.08093	18.7
209.09952	1.2
227.09119	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03943	2.0
55.01883	6.2
55.05511	5.2
57.03438	1.3
57.07062	0.9
59.04991	1.7
63.21172	0.7
65.03952	7.3
67.05489	3.7
69.03436	5.7
69.07056	3.5
70.33208	2.6
71.04979	3.1
73.02924	35.2
79.05476	2.3
80.35680	0.7
81.03417	0.9
81.07053	3.2
82.04189	2.7
83.04972	5.9
83.08617	1.3
85.02895	4.4
85.06525	1.5
86.09717	6.4
91.05483	4.3
93.03394	3.0
93.07054	5.5
95.04379	1.2
95.04974	17.7
95.08611	4.0
97.02883	1.3
97.06536	3.8
97.10178	1.6
98.21419	1.2
99.04447	2.1
99.08121	6.1
100.11250	2.6
103.05453	1.1
105.07034	1.7
107.08614	7.0
108.02085	1.2
109.06498	3.2
109.10181	3.2
110.03652	3.8
111.04444	1.2
111.08069	1.4
113.06009	1.3
114.09197	0.9
115.07521	1.2
119.08553	1.2
121.06494	2.6
121.10158	4.3
123.04446	8.5
123.08111	1.2
125.02316	2.7
125.05960	2.5
125.09642	16.5
127.07564	2.5
133.10147	6.0
135.08102	1.0
135.11688	0.9
137.09616	1.4
138.03145	2.4
139.07529	1.0
139.11182	2.8
140.04701	47.9
142.02586	2.4
149.06029	1.2
149.09636	2.3
149.13260	3.1
151.11209	1.7
153.05457	4.1
153.09120	9.0
155.07042	59.9
163.14810	1.9
164.04692	1.0
167.07028	6.3
169.07709	0.8
170.73810	0.8
171.06531	3.0
171.10214	1.9
173.08116	1.6
173.13231	2.4
174.37947	0.8
177.05481	1.6
179.07039	2.7
181.04968	100.0
181.08325	3.9
182.05269	1.4
188.44540	0.9
191.14398	4.5
209.08110	19.7
209.15352	10.0
227.06979	1.5
227.09126	13.8
227.16336	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	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03943	2.0
55.01879	6.3
55.05500	2.2
57.03447	0.9
65.03946	7.6
67.05490	2.8
69.03447	1.7
69.07056	3.4
69.43887	2.6
69.44328	2.9
70.06590	1.5
73.02924	38.2
79.05487	2.1
81.03400	1.6
81.07080	0.8
82.04189	3.4
83.04960	0.7
84.04488	3.4
84.08157	1.1
85.02921	5.2
86.09714	25.9
91.05477	3.1
93.03396	3.0
93.07062	1.9
94.64140	0.8
95.04967	5.1
97.02885	1.3
97.06519	2.5
98.97597	0.8
100.11258	2.0
101.06043	0.7
103.05456	1.5
104.68710	0.7
105.04533	0.9
107.04962	2.8
108.02074	1.4
109.02898	1.8
109.06506	0.9
110.03683	4.4
110.07150	1.0
111.04465	2.2
118.03284	0.9
121.06513	2.9
123.04450	8.9
125.02344	3.2
125.06018	3.6
130.05025	1.0
131.04865	0.7
135.08006	0.7
137.05963	1.0
138.03128	1.6
140.04697	50.1
142.02592	2.2
149.06001	2.1
149.07401	0.9
153.05493	3.9
155.07043	62.0
161.97209	0.8
167.07071	10.6
171.06583	3.7
173.08119	2.2
177.05482	3.2
179.07019	3.1
181.04968	100.0
182.05351	1.0
199.18030	1.3
209.08127	20.8
227.07060	1.9
227.09120	13.6
239.84219	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03918	4.4
53.04162	1.9
55.01862	4.2
55.05514	12.0
57.03415	4.6
57.07059	6.1
59.04980	6.7
63.18587	1.7
65.18299	1.7
67.05508	8.8
68.99782	1.9
69.03400	7.0
69.07070	17.9
70.06551	3.5
70.07003	2.9
70.07378	5.0
71.04994	30.6
73.02929	8.3
73.06544	4.2
75.91604	1.7
79.05524	8.1
79.05864	1.6
80.17892	1.5
81.03374	5.2
81.07054	15.0
83.04949	7.2
83.08625	8.7
83.85796	1.6
84.08139	1.6
85.02907	2.0
85.06553	13.4
86.09709	73.0
91.05466	8.8
93.06586	1.8
93.07050	19.7
94.48471	1.5
94.96011	1.4
95.04974	100.0
95.08607	15.0
95.98988	1.7
97.06526	17.7
97.10134	6.0
98.20816	2.6
98.97571	3.1
99.04457	10.7
99.08098	34.7
100.11260	31.0
103.05447	5.0
105.07045	10.5
107.04917	2.6
107.07992	2.1
107.08602	25.3
109.02840	2.2
109.06536	19.8
109.10155	11.2
111.08073	7.8
113.06007	3.1
113.09609	3.4
115.07566	8.7
117.07046	2.1
119.08540	7.2
121.06477	7.2
121.10149	22.7
123.04398	4.6
123.08028	4.2
123.11668	7.5
125.05997	2.5
125.09647	16.6
127.07568	17.0
131.08507	6.0
133.10138	27.7
135.07993	5.8
135.11696	9.4
137.05930	2.2
137.09567	4.7
139.07484	1.8
139.11172	14.9
140.04675	11.1
143.08606	1.8
143.10689	10.8
147.11656	6.1
148.05121	2.3
149.05920	4.1
149.09593	2.9
149.13237	8.0
151.11122	5.1
153.09123	29.3
155.07034	12.7
158.99570	1.7
163.14793	7.2
167.07086	18.1
171.10167	21.3
173.13254	13.3
177.05434	5.4
181.04886	15.8
181.06392	2.7
181.08505	2.9
182.08273	1.9
191.10640	1.7
191.14230	10.6
199.18056	3.9
209.08096	12.8
209.15117	12.5
219.01643	1.7
227.08992	4.5
227.12511	7.6
227.16354	67.0
228.16736	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
53.03931	2.9
55.05514	20.7
57.03436	4.1
57.07080	7.1
59.04997	12.0
64.43933	3.2
65.03901	2.5
67.05499	8.5
69.03075	3.8
69.03428	29.1
69.07088	13.6
69.68826	15.0
71.04999	16.2
73.02905	10.8
79.05492	6.7
81.07050	12.9
83.04987	27.0
83.08619	8.0
85.06551	10.2
86.09695	10.7
91.05497	11.1
93.07034	25.7
95.04974	63.3
95.08617	21.8
97.06535	15.1
97.10176	8.6
99.04451	10.8
99.08105	28.0
100.11264	12.7
104.57646	2.7
105.07024	9.2
106.69805	2.9
107.08600	33.4
109.06536	11.9
109.10167	11.3
111.08060	9.1
112.72668	3.3
113.06013	8.0
115.07553	5.6
119.08566	7.7
121.06506	3.2
121.10170	20.5
123.04461	4.5
123.08118	4.1
123.11686	5.7
125.09628	100.0
127.07565	14.7
131.08551	4.9
133.10143	26.6
135.08063	6.9
135.11684	5.5
137.09628	3.5
139.11179	10.2
140.04703	15.0
147.11705	5.2
148.89258	2.8
149.09637	25.1
149.13301	10.1
151.11186	10.2
153.09114	39.4
155.06985	13.2
161.90114	3.7
163.14804	11.9
165.12737	4.1
167.06995	9.4
171.10100	6.6
173.13255	12.9
177.05479	4.8
181.04970	29.8
191.14334	17.7
199.18004	2.7
209.08060	4.3
209.15361	45.0
213.17778	4.3
227.14223	2.4
227.16365	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03933	1.3
55.05517	7.8
57.03431	5.4
57.07065	4.7
59.05003	5.6
65.03941	1.1
67.05512	8.1
69.03417	4.4
69.07064	11.3
69.72467	1.4
69.72791	6.3
71.04993	25.3
73.06533	4.4
73.19501	1.1
79.05492	5.9
81.03387	1.2
81.07055	16.5
83.04986	5.9
83.08636	5.6
85.06552	9.2
86.09697	11.1
87.04449	1.0
91.05469	9.1
93.07048	21.7
95.04971	100.0
95.08608	16.2
96.05283	1.8
97.06536	19.7
97.10179	6.6
98.20834	1.6
98.68391	1.0
98.97580	1.3
99.04459	14.5
99.08099	36.7
100.11249	6.1
105.07049	10.8
107.08593	22.4
109.02892	1.0
109.06525	17.5
109.10171	10.1
109.46397	1.0
111.08083	4.7
113.05970	1.3
113.09644	3.1
115.07566	8.1
117.06966	1.2
119.08578	5.2
121.06535	1.3
121.09339	1.7
121.10155	22.6
123.04443	1.9
123.08051	4.5
123.11710	6.2
125.09637	13.5
127.07561	14.8
131.08571	5.8
133.09125	2.2
133.10133	37.3
135.08073	4.9
135.11690	7.5
137.09596	4.7
139.11183	12.8
141.05505	1.0
143.08516	1.7
143.10684	11.7
145.10130	2.4
147.11694	7.0
149.06046	1.7
149.09648	2.0
149.13252	9.1
151.11172	4.1
153.09103	25.1
155.07039	2.5
158.10913	2.0
161.02989	1.2
163.14865	6.2
165.12787	2.1
167.07053	8.2
167.08339	1.9
167.14377	1.3
171.10181	16.7
173.13284	18.6
177.05479	2.5
181.04958	3.9
181.06403	1.2
191.14288	13.4
209.08089	1.4
209.15378	13.3
213.17821	1.4
227.07126	1.3
227.16417	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.67917	1.1
53.03946	2.9
53.54616	1.1
55.01855	1.5
55.05515	6.4
57.03424	4.0
57.03714	1.0
57.07073	1.9
59.04993	6.9
65.03922	1.7
66.71504	1.1
67.05507	6.0
68.44440	1.2
69.03430	2.9
69.07066	8.3
70.54869	4.2
71.04655	1.5
71.04998	18.0
73.02915	2.7
79.05496	5.9
81.07063	16.1
83.04980	3.1
83.08609	3.7
85.06532	7.4
86.09708	12.9
91.05489	8.6
93.06486	2.1
93.07049	28.0
95.04971	100.0
95.08619	11.0
96.05307	1.7
97.06535	12.8
99.04465	10.4
99.08105	13.5
100.11253	5.3
103.05488	1.1
104.06325	1.1
105.07045	9.2
107.04903	1.3
107.08595	17.5
109.06525	13.6
109.10162	10.0
110.03630	1.3
110.69038	1.2
111.08083	8.3
111.11685	1.2
113.05990	1.9
113.09656	1.2
115.07568	5.1
119.08569	4.7
121.06526	2.3
121.10141	12.9
123.04446	2.4
123.11736	7.9
124.27655	1.3
125.06038	1.8
125.09649	7.7
127.07568	6.3
131.08565	5.6
133.10138	35.7
135.08040	5.2
135.11684	5.0
137.05978	1.8
137.09618	1.8
139.11191	11.7
140.04674	4.4
143.08588	1.6
145.10109	3.7
147.11690	3.8
149.05962	3.1
149.09622	2.1
149.13264	9.0
151.11162	5.1
153.09120	23.5
155.07030	4.2
158.10986	1.2
163.14801	4.0
165.12764	1.9
167.07043	15.0
171.10190	11.5
171.11542	2.2
173.13283	11.1
177.05548	2.5
181.04962	6.0
191.14357	11.3
209.08128	2.7
209.15335	15.2
227.07028	3.8
227.10818	1.7
227.16382	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	229.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86905	0.7
56.96568	8.5
57.03424	1.3
58.06604	4.0
58.07549	0.8
58.99866	1.9
59.07404	1.1
60.08162	4.9
61.02911	2.0
68.98317	1.5
69.03412	0.8
70.06598	24.3
70.92760	1.0
70.93094	1.6
70.98134	1.1
70.99865	4.4
71.04999	1.0
71.95263	1.1
72.08147	1.6
82.01479	0.8
82.99845	14.0
83.01519	1.4
84.08156	1.8
85.02892	2.8
86.09700	1.7
89.00879	2.1
95.82511	0.8
96.08127	1.0
96.74636	0.8
97.02905	1.0
98.97586	16.7
101.00889	94.7
102.00960	2.5
103.02420	0.8
108.97728	1.6
110.97557	0.9
113.00159	1.1
113.00860	6.0
114.05538	3.0
114.09187	1.6
114.45944	0.8
115.02421	3.9
116.07085	1.0
116.98627	6.2
119.01928	100.0
120.02065	1.4
124.02424	1.0
124.07570	2.8
126.98803	9.1
127.03920	1.3
128.98604	1.5
131.01915	12.9
132.95825	2.6
133.02547	1.2
133.03471	10.7
137.02954	9.5
142.07585	1.8
142.08646	22.9
143.01901	3.9
144.99840	9.0
145.03418	1.9
145.99928	0.8
147.01437	0.9
148.02043	1.1
149.02960	1.3
150.96906	1.2
151.04509	1.8
154.98233	1.1
156.03302	0.9
157.03601	1.0
158.04918	0.8
159.01376	0.9
161.02942	4.3
168.01759	1.1
168.99835	21.8
169.01372	1.5
170.04803	0.8
170.08104	1.4
172.99319	4.1
173.02954	2.4
173.99406	1.8
177.02489	2.6
187.00888	34.3
187.04590	1.0
188.01163	1.4
189.00658	1.1
191.04045	2.1
196.99307	7.6
197.01088	4.0
201.02435	0.9
205.01942	6.4
206.07054	2.8
215.00366	29.8
215.01889	1.2
216.00508	0.9
224.08023	2.1
229.03331	6.6
229.15480	63.7
233.01440	2.0
247.03061	1.0
248.08098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86905	0.7
56.96568	8.5
57.03424	1.3
58.06604	4.0
58.07549	0.8
58.99866	1.9
59.07404	1.1
60.08162	4.9
61.02911	2.0
68.98317	1.5
69.03412	0.8
70.06598	24.3
70.92760	1.0
70.93094	1.6
70.98134	1.1
70.99865	4.4
71.04999	1.0
71.95263	1.1
72.08147	1.6
82.01479	0.8
82.99845	14.0
83.01519	1.4
84.08156	1.8
85.02892	2.8
86.09700	1.7
89.00879	2.1
95.82511	0.8
96.08127	1.0
96.74636	0.8
97.02905	1.0
98.97586	16.7
101.00889	94.7
102.00960	2.5
103.02420	0.8
108.97728	1.6
110.97557	0.9
113.00159	1.1
113.00860	6.0
114.05538	3.0
114.09187	1.6
114.45944	0.8
115.02421	3.9
116.07085	1.0
116.98627	6.2
119.01928	100.0
120.02065	1.4
124.02424	1.0
124.07570	2.8
126.98803	9.1
127.03920	1.3
128.98604	1.5
131.01915	12.9
132.95825	2.6
133.02547	1.2
133.03471	10.7
137.02954	9.5
142.07585	1.8
142.08646	22.9
143.01901	3.9
144.99840	9.0
145.03418	1.9
145.99928	0.8
147.01437	0.9
148.02043	1.1
149.02960	1.3
150.96906	1.2
151.04509	1.8
154.98233	1.1
156.03302	0.9
157.03601	1.0
158.04918	0.8
159.01376	0.9
161.02942	4.3
168.01759	1.1
168.99835	21.8
169.01372	1.5
170.04803	0.8
170.08104	1.4
172.99319	4.1
173.02954	2.4
173.99406	1.8
177.02489	2.6
187.00888	34.3
187.04590	1.0
188.01163	1.4
189.00658	1.1
191.04045	2.1
196.99307	7.6
197.01088	4.0
201.02435	0.9
205.01942	6.4
206.07054	2.8
215.00366	29.8
215.01889	1.2
216.00508	0.9
224.08023	2.1
229.03331	6.6
229.15480	63.7
233.01440	2.0
247.03061	1.0
248.08098	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.6
51.08260	0.5
51.44668	0.5
53.03950	7.3
53.75557	0.5
55.01865	0.8
55.05509	1.1
57.03424	1.1
57.07077	0.9
63.57074	0.5
67.05511	3.4
69.03436	3.2
69.07080	0.6
70.06593	0.7
71.04993	5.7
75.65204	0.5
79.05511	1.0
81.03420	100.0
81.07063	1.5
82.03770	0.5
83.01342	1.6
83.08610	0.7
84.08184	0.5
85.02916	4.2
88.07637	0.9
91.05500	1.2
93.07038	1.1
95.05013	0.9
95.08611	0.7
97.02902	8.9
99.04459	16.3
102.09203	1.3
103.05481	0.6
105.07043	5.1
107.08586	1.0
109.02886	36.8
109.10160	2.0
117.07045	1.2
119.08609	1.5
121.10135	0.9
123.04454	0.6
127.03925	58.4
131.08583	1.0
133.10150	1.4
141.05467	1.6
141.07011	1.2
145.06517	0.6
145.10161	1.5
151.07582	1.8
159.08148	0.5
159.11710	1.8
169.05049	1.2
171.11699	0.7
173.13290	1.2
183.08136	0.8
186.14084	1.0
187.05997	2.6
187.14824	0.8
199.14879	1.0
223.96515	0.7
228.23241	6.7
229.04939	1.2
229.06886	7.6
229.09045	1.3
229.12306	2.2
229.16013	1.2
229.19502	4.6
229.23523	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.1
55.05510	2.2
55.70407	0.9
57.03463	1.1
61.83608	1.2
64.23625	1.1
67.05502	4.5
69.03424	4.0
71.04994	4.9
71.11871	2.0
80.56776	1.0
81.03422	100.0
81.07060	1.8
83.01357	2.3
83.08612	2.0
85.02902	4.6
93.07069	1.5
95.04977	1.1
95.08604	3.9
96.08945	2.8
97.02912	7.1
99.04459	12.5
109.02893	37.1
109.10180	3.2
127.03933	57.8
139.03934	1.8
141.05452	1.5
141.06931	1.2
166.84967	1.1
187.05962	3.1
215.15752	1.1
228.23143	1.2
229.07019	9.5
229.19482	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	229.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36224	0.5
53.03952	7.6
54.47572	0.4
55.01866	0.7
55.05500	0.6
57.03428	1.0
62.76832	0.5
67.05499	1.3
69.03445	2.4
69.51148	3.2
70.30450	0.4
70.77586	0.4
71.04990	7.4
81.03424	37.6
81.07051	0.6
83.01360	1.2
83.04961	0.6
83.19719	0.4
83.81223	0.4
85.02913	2.9
95.08597	0.5
97.02898	3.9
99.04462	19.1
105.07027	1.0
107.08601	0.5
109.02139	0.9
109.02886	17.0
109.10167	1.6
121.10246	0.6
127.03926	100.0
131.08542	0.8
133.10114	0.7
141.05405	0.5
145.10136	0.6
159.11766	0.7
162.65912	0.4
169.04958	0.7
173.13278	0.8
187.06056	0.6
201.09180	0.4
229.06851	3.0
229.09033	0.7
229.16034	0.8
229.19547	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50829	1.7
53.03947	14.6
55.01869	2.6
56.68797	1.3
57.03437	1.7
65.55174	1.5
69.03430	4.1
70.66627	4.0
71.04993	6.0
73.98761	1.4
81.03423	100.0
83.01352	2.7
85.02903	2.2
97.02901	8.5
99.04461	25.0
103.03907	1.5
105.07018	1.9
107.85619	1.5
109.02137	2.8
109.02888	61.1
127.03926	92.9
130.40239	1.3
145.04991	6.6
169.05025	2.6
187.06015	2.3
229.05099	3.0
229.07051	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	229.0861
Annotation	3,7-Dihydroxy-1,9-dimethyldibenzofuran
Peak:m/z	Relative Intensity
51.64711	0.4
53.03941	1.0
55.01865	2.1
55.05499	0.5
57.03422	0.6
67.05507	2.5
67.56674	0.5
68.99799	3.0
69.03436	1.3
69.07100	0.5
69.49050	1.8
69.49470	1.5
70.06580	0.6
71.01366	0.5
71.04975	0.8
71.78542	0.5
73.18144	0.4
74.79433	0.4
76.48946	0.4
81.03419	3.9
81.07040	1.6
91.05501	1.1
95.04979	0.7
95.08612	0.7
97.02868	0.7
98.97600	1.4
99.04476	1.1
105.07021	1.0
107.04949	0.7
107.08611	0.5
109.02881	2.9
109.10165	1.0
110.09695	0.8
111.02474	0.4
115.05453	1.3
117.06971	0.7
119.08578	1.3
121.10175	0.5
121.24476	0.4
127.03931	5.0
129.06993	1.0
131.04913	0.6
131.08604	1.1
133.10124	0.5
135.04459	0.7
141.06995	6.5
143.08513	0.9
144.05708	0.6
145.06551	2.4
145.10126	0.8
147.04417	0.5
153.07002	5.4
154.07751	0.9
155.06017	0.5
155.08568	10.4
155.09735	0.9
157.06474	1.0
157.10254	0.4
158.99716	0.6
159.08063	2.0
159.11626	0.8
161.09601	3.1
165.07014	17.3
166.07545	0.5
168.05667	3.1
169.06474	1.1
169.10065	0.7
173.05959	0.9
173.09592	0.8
177.00780	0.6
178.86693	0.5
181.06535	1.3
182.07265	0.7
183.08064	35.5
184.08420	1.0
187.07567	1.6
193.06206	2.8
196.05347	0.5
197.06042	1.3
199.07378	0.5
201.09091	4.7
210.06825	0.7
211.07556	46.1
212.07957	1.8
214.06242	1.8
214.17087	0.4
215.07210	0.5
227.07066	0.9
229.08612	100.0
229.15924	1.4
229.19582	1.5
230.08932	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.14704	0.7
53.77194	0.7
55.05515	10.4
57.03440	16.3
57.07066	1.6
59.04997	5.1
65.03938	1.8
67.05507	100.0
68.05865	1.2
69.03426	1.2
69.07072	3.2
71.05003	3.6
79.05499	2.1
80.52677	0.7
81.03416	1.3
81.07065	15.0
83.08622	7.0
85.06551	4.0
86.06078	1.1
91.05498	5.2
93.07049	5.3
95.08610	6.8
97.02895	0.8
98.06095	1.7
99.00864	0.9
105.07042	2.0
107.08617	2.3
109.10162	77.9
110.10529	1.0
111.08083	3.5
117.07073	0.9
119.08582	7.1
121.10140	1.8
131.08588	2.7
133.10149	1.7
135.11691	0.8
137.09628	4.0
139.65613	0.7
145.10143	2.6
147.11723	1.7
155.10660	5.6
159.11670	3.4
173.06157	0.8
173.11786	19.9
173.13306	4.7
187.14836	1.6
203.48145	0.7
229.08836	1.6
229.12270	1.0
229.14311	21.9
229.19473	7.6
229.23732	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03952	0.8
55.01866	1.0
55.05513	10.4
57.03439	17.7
57.07078	1.9
59.05005	5.4
65.03943	1.9
67.05506	100.0
68.05856	1.0
69.03432	3.5
69.07069	3.0
69.42136	4.4
71.04977	4.3
73.02929	0.7
73.36780	0.6
79.05476	3.0
81.03432	1.2
81.07059	15.1
83.08622	6.9
85.02897	1.5
85.06546	2.6
86.06087	1.0
91.05485	10.4
93.07042	7.3
95.04984	0.7
95.08611	9.7
98.06094	0.9
99.04443	1.2
105.07037	2.6
106.94300	0.8
107.08591	2.0
109.10159	84.9
110.10495	0.9
111.08063	3.1
117.07069	1.4
119.08572	13.1
121.10143	1.0
127.03911	0.6
129.06972	1.2
131.08598	1.4
133.10149	0.7
137.09619	12.5
143.08488	0.8
145.10118	2.6
151.07462	0.8
155.10674	5.6
159.11734	1.5
169.10201	1.0
173.11748	21.8
173.13181	1.5
183.47495	0.6
206.04582	0.6
229.04935	1.0
229.08658	1.4
229.12425	1.3
229.14313	29.1
229.19426	4.8
229.23384	1.3
246.69583	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81125	0.7
53.82640	0.8
55.05513	9.8
57.03439	20.0
57.07075	2.0
59.05007	5.8
61.91634	0.7
65.03944	2.6
67.05510	100.0
68.05824	1.0
69.03436	0.9
69.07075	1.5
70.06593	1.2
71.04982	3.7
79.05506	3.0
81.07067	15.9
83.08619	7.0
85.06564	2.8
86.06071	1.6
87.04466	1.0
91.05488	6.8
93.07042	3.7
95.08609	5.2
97.02914	0.8
98.06073	2.2
98.21509	2.2
105.07063	1.9
105.58845	0.8
107.08634	3.3
109.10165	90.3
110.10471	1.1
111.08083	3.9
119.08579	8.5
121.10166	1.2
131.08580	1.6
133.10193	1.7
137.09599	4.4
145.10159	2.9
155.10695	4.7
159.11755	3.3
173.11787	24.2
173.13315	4.2
176.90388	0.7
187.14835	0.9
211.31131	0.9
229.04555	0.8
229.08945	1.2
229.14337	22.0
229.19444	8.0
229.23463	2.2
230.10362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Leucylproline
Peak:m/z	Relative Intensity
52.35007	1.0
54.25536	0.8
55.01844	1.0
55.05512	9.3
55.46555	0.8
56.05024	3.5
57.07023	0.9
67.05499	2.4
69.03413	1.5
69.07052	3.1
69.81270	1.7
69.81681	3.0
70.06602	8.9
72.08162	6.6
73.02932	1.3
79.05496	1.5
81.03401	3.2
81.07034	2.0
83.06096	4.6
83.08157	1.3
83.08626	22.5
84.04508	87.8
84.08142	3.6
85.02908	6.4
86.09708	13.7
88.03974	1.3
91.05473	1.9
93.07034	1.6
95.01360	0.8
95.04955	2.1
95.08569	1.1
96.08090	1.1
97.06526	0.9
98.06034	1.7
99.04469	1.1
99.08037	1.4
100.11261	100.0
101.11544	1.0
102.05547	6.0
105.06988	1.3
107.04971	2.0
107.08553	1.0
107.55832	0.9
109.02903	1.5
109.06509	1.2
109.10127	1.8
116.07101	5.3
123.04476	1.5
127.03912	1.6
129.10207	3.3
130.05011	55.7
135.04370	1.1
140.04697	3.0
141.06987	1.6
141.10234	1.2
142.08592	1.2
145.06554	1.1
155.07071	2.0
156.10216	1.0
167.07080	1.7
169.06548	1.3
172.00650	1.6
183.14944	19.0
185.06067	1.1
187.07483	1.0
187.83171	0.9
193.08643	1.0
201.05487	1.4
201.09158	1.3
201.12334	4.6
211.07626	1.2
212.12823	58.4
229.05017	3.6
229.08652	3.0
229.15492	47.0
229.23540	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
56.96346	0.4
56.96572	5.4
57.03447	2.4
58.06602	6.4
58.99872	0.5
59.07388	1.3
60.08167	7.3
61.02922	3.6
67.05501	0.5
68.05029	1.4
69.03418	1.9
69.07039	0.5
69.48109	3.4
70.06595	41.5
70.98105	1.7
70.99844	1.5
72.08165	2.5
72.93805	0.7
73.02921	2.4
81.03428	0.6
82.99836	4.2
83.00787	0.7
84.04494	1.6
84.08116	1.0
85.01413	0.6
85.02906	2.8
86.09711	2.3
88.99123	0.9
89.88174	0.5
90.01542	0.4
96.08144	1.4
97.01419	0.5
97.02880	2.3
98.01311	0.6
98.06084	0.9
98.97592	9.1
99.04463	0.7
100.28913	0.5
101.00883	27.5
102.00948	0.9
103.02457	0.8
104.01308	0.5
110.01266	1.0
110.97570	1.7
112.99100	0.5
113.00877	1.7
113.02410	0.7
114.05527	4.7
114.06683	0.7
114.09171	2.0
115.02459	1.2
116.07089	2.0
116.98600	0.9
118.08649	0.9
119.01923	33.4
119.51958	0.6
120.22847	0.5
121.01614	0.6
124.07599	3.6
125.01819	0.5
126.09185	0.8
126.98785	2.1
127.02422	0.4
127.03930	1.1
128.02306	2.4
128.98624	2.5
131.01895	4.3
132.00751	1.1
132.95837	2.1
133.01549	0.8
133.03464	5.9
137.02948	3.4
139.01547	0.5
139.04213	0.7
140.98558	0.6
141.01280	0.6
142.08640	35.5
142.96574	0.6
143.00108	0.5
143.01852	1.0
144.99831	3.0
145.03490	1.1
146.99588	1.0
147.01299	0.8
148.02063	1.4
148.03763	0.6
148.04849	0.8
149.02902	0.5
151.04536	0.9
153.01297	0.7
154.02092	0.5
155.02930	0.5
156.03378	1.2
157.02519	0.7
157.03680	1.1
158.99669	1.3
159.01225	0.6
160.02092	1.0
161.02972	1.9
162.01843	1.1
168.01784	1.3
168.99844	6.0
169.02547	0.7
170.08139	1.6
170.99644	0.9
172.97623	0.7
172.99290	1.2
173.03000	0.8
174.01801	0.6
175.02600	1.1
175.04622	1.5
177.02396	1.3
183.11284	1.1
184.03133	1.0
187.00922	8.9
187.04601	1.5
189.00726	1.0
191.04031	0.8
193.00142	0.6
196.99301	1.8
197.01031	1.1
201.02397	0.5
204.24094	0.5
205.00192	0.9
205.01944	1.7
205.03735	0.6
205.05804	1.0
213.03360	0.8
215.00395	7.0
219.01704	0.9
229.03214	3.9
229.05324	1.1
229.15485	100.0
230.15758	1.1
244.99963	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
55.01863	0.8
56.96344	0.4
56.96566	4.4
57.03420	1.1
58.06354	0.5
58.06603	6.6
58.54472	0.4
59.07375	1.5
60.08169	8.2
61.02913	0.8
61.75019	0.3
68.05010	1.3
69.03429	0.7
70.06595	43.9
70.31524	1.7
70.99850	1.0
71.95280	0.4
72.08169	1.2
73.02940	2.2
82.99844	3.7
84.04469	0.5
85.02895	1.2
86.09698	0.6
93.96445	0.4
96.08134	2.0
97.01411	0.4
97.02905	0.9
98.06045	0.7
98.21637	0.3
98.97590	10.0
100.02676	0.4
101.00892	18.8
103.00662	0.5
105.35736	0.4
106.01060	0.4
109.02868	1.0
110.97536	0.7
113.00861	1.6
113.30559	0.4
114.05542	4.9
114.09167	2.3
115.02436	1.5
116.07079	1.0
116.98644	3.2
117.55834	0.3
119.01929	19.3
120.01997	0.5
123.02949	0.5
124.07595	3.9
126.02293	0.5
126.09142	0.5
126.98756	2.2
127.03867	0.4
128.02368	0.5
131.01920	3.0
132.95851	0.8
133.03465	2.4
134.99666	0.6
135.04393	0.4
135.77188	0.3
137.02980	1.5
142.08641	37.8
143.01875	1.2
143.08980	0.4
144.99863	2.0
145.03452	0.9
155.01918	0.6
157.03577	0.7
158.05005	0.5
161.02919	1.1
168.99860	4.0
170.05069	0.5
170.08118	1.8
171.03181	0.6
172.99321	0.9
177.02373	0.5
185.02939	0.6
187.00914	5.3
188.05962	0.4
189.04414	0.4
191.03925	0.5
196.99338	1.6
197.01044	0.6
203.03946	0.5
205.01970	1.2
205.05634	0.5
206.07040	1.2
215.00404	4.6
224.08043	1.2
229.03316	1.0
229.15483	100.0
230.07103	0.5
230.15880	2.1
230.17963	0.4
248.08069	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	5.8
57.03444	7.1
57.07067	4.8
59.04986	2.0
66.86381	1.4
67.05188	2.4
67.05510	33.9
69.03428	1.8
69.07063	6.4
70.06600	1.6
79.05480	4.4
80.61100	1.2
81.03420	2.2
81.07056	6.8
83.08583	1.9
85.06527	1.6
85.10163	1.6
86.06072	1.7
91.05482	6.9
93.07042	6.0
95.08603	4.3
98.06077	1.7
98.21528	3.7
105.07037	19.9
107.08569	4.4
109.10165	25.8
117.07008	6.1
119.08585	14.3
121.10152	13.2
128.06219	1.6
129.07028	2.1
130.07793	1.7
131.08575	64.3
133.10115	10.5
135.11661	2.8
143.08553	1.7
144.09344	3.3
145.10138	55.2
145.11299	2.8
147.11696	6.0
157.10144	1.8
158.10841	1.3
159.11691	34.5
161.13271	1.9
171.11649	2.3
173.11832	7.3
173.13269	100.0
174.13669	2.6
186.14037	1.9
187.14883	9.6
199.14798	1.6
229.05162	1.7
229.08653	2.7
229.12222	2.3
229.14117	7.5
229.19519	66.4
229.23410	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	229.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34829	0.9
55.05509	3.8
57.03430	1.9
57.07073	1.1
67.05514	17.9
69.07053	3.8
70.06596	2.3
79.05502	3.8
80.00812	1.1
81.07045	7.6
83.08607	2.0
86.06080	1.8
91.05442	5.3
93.07047	7.3
94.02373	1.0
95.08625	7.3
96.62080	1.0
97.02883	1.6
98.04930	1.0
98.06070	2.3
105.07038	9.5
107.08596	7.0
108.36039	1.0
109.02880	1.0
109.10167	14.5
114.97878	1.0
117.07030	4.0
119.08575	9.6
121.10136	8.3
123.11710	2.2
129.07047	2.2
131.08560	15.2
133.10152	7.3
135.11668	2.3
143.08560	2.4
144.09366	5.7
145.10129	16.9
147.11719	6.5
157.10130	1.6
158.10915	2.0
159.11714	37.3
159.13040	2.1
161.13278	1.9
171.11737	4.3
173.11801	3.0
173.13255	26.6
173.90849	1.0
175.07500	1.1
181.06813	0.9
185.13220	2.8
186.14072	11.7
187.14790	8.0
194.08157	1.5
199.14732	6.0
201.16313	2.5
214.17238	3.3
229.08766	1.5
229.12178	2.5
229.15976	2.7
229.19533	100.0
229.23479	6.7
230.10191	1.6
230.19856	1.4
243.86136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	30.8
60.08171	0.5
61.02938	0.4
70.06589	3.4
70.58427	1.3
70.98104	0.7
71.06918	1.2
71.95267	3.2
72.08163	0.8
72.96049	2.3
73.02907	0.4
74.97589	0.5
82.99876	0.4
83.97631	0.8
84.04494	0.4
84.08143	0.7
84.96044	1.2
86.09715	3.9
97.99176	0.4
98.97591	100.0
99.04472	0.5
101.00885	2.9
102.00955	4.5
102.02187	0.5
103.00645	1.1
110.97575	1.0
116.00232	1.7
116.98630	33.4
119.01923	3.2
120.02012	4.1
121.01694	1.3
124.00736	0.5
126.02295	1.7
128.98616	1.5
129.10263	0.6
132.02061	0.8
132.95802	0.4
133.03514	0.7
134.01286	1.1
134.99661	6.2
140.00240	0.8
140.03836	2.5
141.63661	0.4
142.05421	2.3
142.08653	1.3
143.08990	1.4
144.03368	0.6
145.99989	0.8
146.99670	0.5
153.00755	0.4
153.02264	0.7
156.03395	0.4
158.04912	1.9
160.06483	2.8
161.02942	0.7
169.99992	1.9
170.04916	1.6
171.03268	3.9
174.99141	0.6
176.05984	0.5
181.03432	0.4
184.06383	0.5
188.01079	2.1
188.05936	2.4
189.00752	0.9
189.02681	0.9
189.04359	9.0
198.00832	0.6
199.04301	0.5
202.07494	0.6
203.05951	0.6
206.07042	7.8
207.05510	2.9
212.05923	1.1
213.04332	0.8
216.00592	1.7
224.08055	6.1
230.07010	11.8
230.15822	8.8
231.05394	1.9
248.08092	15.6
248.99188	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30109	2.3
56.96560	8.0
60.29211	2.1
70.38618	5.0
70.39017	5.2
71.56420	2.6
71.75945	2.2
80.94854	3.7
84.04507	6.8
84.08144	2.7
96.92230	12.7
97.37943	2.9
98.97583	8.7
101.00890	26.0
112.89619	56.1
114.89338	26.6
115.02422	3.3
116.98655	5.7
119.01937	50.4
120.02019	3.2
120.03320	2.8
125.98659	2.3
126.03372	2.7
129.00349	4.7
131.01923	5.9
133.03452	6.1
137.02951	6.8
143.01918	46.5
143.03642	3.4
147.01416	16.7
147.03174	2.7
157.03465	6.8
159.01376	3.8
160.04640	2.2
161.02972	100.0
161.04335	5.7
162.03056	2.5
165.02411	4.0
167.03676	5.3
170.99049	5.6
171.01401	10.3
175.04518	2.7
179.04070	3.1
184.04506	3.6
185.02959	18.1
185.04697	27.9
186.04314	7.4
188.97200	3.0
189.00156	5.5
189.02409	18.0
198.97438	4.1
201.02451	3.0
202.05672	2.5
203.04045	5.1
203.05777	13.6
207.03311	3.8
208.04585	9.6
213.00287	3.2
219.03476	5.5
220.00339	2.5
231.01274	4.5
231.03462	7.6
231.05365	5.4
231.13521	2.9
235.56540	2.5
249.04474	23.9
249.06808	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.4
55.01875	2.9
55.05511	1.8
57.03436	3.8
61.02928	1.7
61.94439	0.8
67.05494	1.8
68.99810	4.5
69.03436	100.0
69.07073	1.8
71.01361	1.6
71.04998	9.0
71.51052	0.9
81.03426	44.3
81.07072	1.9
81.33903	0.8
83.01349	1.9
83.05004	1.0
85.02914	42.8
87.00842	18.5
91.05512	2.5
93.07053	2.1
95.04989	1.5
97.02905	18.2
98.98457	1.1
99.04465	18.5
105.01862	2.0
105.07037	3.9
107.08619	1.2
109.02889	17.3
109.10172	1.0
111.00822	1.2
111.04433	2.3
114.34872	0.9
115.05470	3.0
117.07080	1.3
119.08575	2.8
121.06517	1.3
121.10127	0.9
122.34113	0.8
123.59541	0.8
127.03928	26.7
129.07008	2.3
129.12297	0.8
131.08557	2.9
133.06577	0.8
133.10147	2.2
142.07834	1.6
143.04933	1.8
143.08563	3.5
145.05014	2.9
145.10120	4.5
147.08073	1.6
155.08551	1.0
157.06531	1.4
157.10138	3.4
159.11708	1.1
161.09598	0.9
171.04399	1.8
171.08159	1.4
171.11696	4.4
173.09685	1.3
175.07526	2.3
185.05882	1.2
185.13283	1.1
188.04750	1.4
199.07689	1.0
203.07008	2.7
213.03932	1.6
213.12735	2.0
213.16418	1.7
231.04889	2.8
231.06628	7.9
231.08336	1.8
231.10277	1.7
231.13753	4.3
231.17480	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	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69834	1.2
51.02386	1.0
51.18650	1.4
53.03953	9.3
53.73936	1.3
55.01864	2.2
55.05499	1.6
56.92624	1.0
57.03441	5.5
65.03939	1.3
66.04367	1.1
67.05503	3.2
68.99793	5.6
69.03431	100.0
69.07050	2.0
69.48229	2.6
69.48629	6.4
70.06596	1.2
70.20495	1.0
71.01344	2.1
71.04996	11.0
71.94869	1.1
72.08152	1.2
72.59263	1.1
79.05472	2.4
81.03419	44.5
81.07051	3.3
83.01347	2.0
83.04994	2.6
85.02908	42.2
87.00825	18.4
91.05478	9.9
93.07035	4.2
95.04955	3.2
95.08600	3.8
97.02895	17.5
99.04456	21.2
105.01834	1.8
105.07033	7.1
105.85257	1.0
107.04961	2.1
107.08606	4.8
109.02876	20.9
109.06502	2.1
111.00780	1.3
111.04433	1.8
115.05452	7.6
116.06254	1.3
117.06995	4.4
117.07751	1.2
119.08595	7.6
121.06525	1.5
121.10133	2.3
122.03612	1.2
125.01553	2.5
127.03923	36.2
128.06244	2.4
129.04395	2.2
129.05463	1.7
129.07016	4.2
131.04950	4.0
131.08542	9.0
132.05730	11.9
133.06483	1.4
133.10152	2.4
135.04353	1.4
135.08084	2.3
135.11765	1.4
141.07001	4.1
142.07771	2.6
143.02563	1.5
143.04924	7.4
143.05930	1.3
143.08572	4.2
144.05713	9.8
144.09308	1.1
145.04958	2.4
145.06496	12.1
145.10138	4.5
147.08023	5.4
147.11697	3.4
149.09569	1.1
157.06543	1.1
157.10123	4.2
159.08063	3.5
159.11667	1.9
160.05200	28.2
161.05980	4.5
161.09680	2.3
161.13283	1.1
169.07642	1.9
169.10068	1.3
170.07245	1.3
171.04430	18.8
171.05693	4.6
171.08008	1.9
171.11722	4.8
173.05988	18.8
173.09648	1.6
173.13220	2.0
174.06900	1.4
175.07549	11.0
185.09573	1.3
185.13287	2.8
187.14919	1.5
189.12859	2.3
202.07811	2.1
203.07021	18.8
203.08749	2.0
213.12787	3.1
213.16388	2.9
216.04247	1.7
216.07831	1.7
231.06566	89.1
231.09987	9.6
231.13733	8.5
231.17442	12.0
231.21132	3.4
232.22678	1.3
254.71170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1018
Annotation	Pindone
Peak:m/z	Relative Intensity
55.01864	1.2
55.05507	0.4
67.05507	0.5
68.99778	0.6
69.03437	2.5
69.07078	0.3
69.07544	0.2
70.66409	0.6
71.04990	0.5
72.08167	0.3
79.05479	0.5
81.03411	1.2
81.07042	0.8
85.02911	1.3
86.09734	0.2
87.00819	0.2
91.05470	0.7
93.07051	0.5
95.08645	0.4
97.02882	0.6
99.04443	0.4
105.07029	0.8
107.04945	0.5
107.08600	0.5
109.02882	0.4
109.06599	0.2
109.10119	0.3
115.05447	0.7
117.07011	0.5
119.08560	0.9
121.10139	0.4
127.03918	0.8
128.06233	0.7
129.06996	0.8
131.04996	0.3
131.08578	0.8
133.06461	0.3
133.10106	0.8
137.05956	0.7
141.07010	0.3
142.07803	0.4
143.04898	0.5
143.08533	0.8
144.05753	0.3
145.06494	0.5
145.10153	1.0
146.07260	0.2
147.04393	1.4
147.08043	0.5
147.11644	0.3
148.05118	0.3
153.06982	0.7
156.09328	0.2
157.06540	0.4
157.10092	0.9
159.08075	0.4
159.11655	0.4
160.05208	1.1
161.05966	1.4
161.09595	0.4
161.13277	0.4
162.06738	0.5
163.07500	0.6
169.06438	0.5
170.03706	0.2
170.07291	0.7
171.04503	0.2
171.08044	0.9
171.11702	0.7
172.05301	0.3
173.06007	1.9
173.09575	0.2
173.13216	0.4
174.06779	0.7
175.07512	1.3
181.06448	0.9
182.07332	0.3
185.05962	0.4
185.09610	0.2
185.13155	0.3
187.07520	2.2
188.08307	2.2
189.05432	0.3
189.09065	0.7
189.16423	0.3
197.06049	0.9
198.06795	4.2
199.07608	1.8
200.08318	0.3
201.05484	0.5
203.07050	0.7
203.08865	0.2
203.10698	0.9
213.05502	0.4
213.09032	0.6
213.16345	0.7
215.07010	2.2
216.07825	11.3
231.06447	3.0
231.10168	100.0
231.17363	1.4
232.10469	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.05512	1.1
56.05042	4.1
57.03437	1.1
57.07078	2.9
65.83576	0.8
67.05511	1.1
68.99793	1.7
69.03437	10.5
71.04964	0.9
71.50397	0.9
72.08143	1.9
79.05540	1.0
81.03422	4.9
81.07076	0.9
83.06119	2.2
84.04513	100.0
85.02911	12.1
85.10190	22.0
85.10670	1.6
86.09731	0.9
87.00833	1.1
91.05499	1.0
97.02895	2.5
99.04451	1.4
102.05553	7.2
102.12827	72.1
105.07026	1.6
107.04964	0.9
109.02950	0.8
109.06540	0.7
111.00851	0.9
115.05457	1.5
115.83915	0.8
119.04985	1.3
121.02889	1.5
122.73534	0.9
127.03947	2.4
129.06902	1.0
130.05011	62.4
131.08559	0.7
133.10173	1.0
137.02391	0.9
141.31909	0.8
143.08585	0.7
145.10060	0.9
147.04434	1.9
157.06512	1.9
159.08148	0.8
159.93982	0.8
175.07556	1.6
185.05946	1.3
185.16527	15.3
213.05504	3.9
213.12782	1.0
214.14397	52.0
231.03069	1.1
231.06523	24.3
231.10110	1.7
231.13745	1.8
231.14505	0.9
231.17073	28.6
232.06834	0.8
254.73439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03939	0.4
55.05514	11.5
56.05032	0.4
57.05821	1.2
66.19835	0.2
67.77449	0.2
69.03448	0.3
70.68163	0.6
70.68510	0.2
72.08157	100.0
73.08485	0.6
86.09705	5.7
96.39575	0.2
113.18899	0.2
132.10197	3.0
185.16563	0.7
231.06577	0.5
231.16994	1.7
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	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.05513	11.2
56.05041	0.6
56.62046	0.2
57.05812	1.0
58.49083	0.2
70.11839	0.3
70.68063	0.7
70.68430	0.3
72.08156	100.0
84.41590	0.3
86.09711	5.3
115.36123	0.3
121.22074	0.2
132.10208	3.8
148.02086	0.2
185.16595	0.7
231.06631	0.7
231.17029	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	231.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24054	1.1
55.05510	8.0
56.05033	1.3
57.07074	3.4
64.99682	1.1
67.05504	15.5
69.07069	11.9
71.52183	2.3
79.05503	6.8
81.04510	1.3
81.07056	27.9
83.08612	5.6
85.69174	1.4
91.05476	8.7
93.07049	15.8
95.08611	33.9
97.07650	1.3
97.10149	3.0
105.06317	1.3
105.07028	25.1
107.06086	2.0
107.08601	20.8
109.07649	1.4
109.10162	28.9
110.07140	2.0
119.08579	24.6
120.05592	1.3
121.06589	1.5
121.10143	28.1
123.08060	1.3
123.11710	22.9
131.08559	1.2
133.10126	15.4
135.11694	21.9
137.13254	4.9
141.90356	1.2
145.10129	2.0
147.11687	12.6
148.08719	2.1
149.08234	1.7
149.13254	13.7
151.09773	1.4
159.11710	1.8
161.11996	2.5
161.13266	41.6
161.14610	2.1
163.09811	1.2
163.14799	2.9
173.13303	3.3
174.12706	1.6
175.13298	2.0
175.14832	36.4
187.99908	1.4
189.12776	1.4
189.16354	9.1
190.10818	1.3
231.13684	8.5
231.17383	3.4
231.21077	100.0
232.21404	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	232.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
54.86985	0.2
60.18346	0.2
70.01537	0.4
70.01920	0.5
70.06577	0.5
72.08174	0.4
81.03421	100.0
82.03749	0.8
84.08150	0.4
85.02918	0.2
86.09730	0.2
99.00819	0.2
114.00087	0.2
120.08929	0.4
135.03018	0.4
153.04121	0.9
164.05676	5.5
214.05807	0.2
232.08385	13.0
232.11798	0.5
232.14157	0.6
233.08479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0446
Annotation	5-Hydroxyxanthotoxin
Peak:m/z	Relative Intensity
55.01871	0.3
62.96804	0.2
67.05505	1.6
69.07062	0.4
77.03961	0.2
78.04707	1.9
79.05497	0.4
80.22867	0.2
81.07057	1.4
83.08627	0.2
91.05476	0.7
92.02641	0.2
93.07040	0.7
95.01360	0.2
95.08590	1.2
103.05486	0.6
105.03377	0.4
105.07027	0.5
106.04190	2.4
107.08601	0.5
109.10152	0.6
115.05427	0.3
116.02607	0.5
119.08605	0.2
120.02141	0.2
121.06519	0.6
121.10144	0.7
123.11662	0.3
131.04901	0.9
133.02916	0.3
133.10097	0.3
134.03645	8.7
135.11740	0.3
139.00261	0.5
144.01987	0.4
145.02809	0.3
145.10069	0.3
145.89731	0.2
147.04428	1.3
147.11650	0.2
149.02306	0.2
149.05992	0.2
159.04485	0.4
159.11742	0.2
159.46233	0.2
161.02351	1.3
161.05948	0.3
162.03134	12.0
163.03734	0.2
170.82489	0.2
172.01547	1.3
173.02356	4.8
177.05479	1.6
178.06203	0.2
187.03897	0.4
189.01799	0.5
190.02609	5.8
191.03230	0.3
200.01073	0.5
204.00603	0.7
218.02116	100.0
219.02495	2.4
233.04462	86.6
233.19046	0.9
233.22684	0.7
234.04755	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04691	0.9
69.80138	4.8
101.00854	1.0
102.82833	1.0
120.01742	0.9
139.16449	0.8
143.01900	2.6
161.03011	1.4
195.39409	1.1
195.69666	0.9
233.06325	100.0
234.06648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02586	0.5
56.05041	18.2
56.96564	1.1
57.03444	2.8
58.06601	3.1
62.02674	0.4
69.03437	1.0
69.07084	0.7
70.00658	2.1
72.08151	1.0
74.06084	100.0
75.04525	0.5
81.03411	0.5
84.04517	4.0
84.08155	1.0
85.02903	1.3
86.06063	0.6
86.09711	23.3
93.84591	0.4
98.97601	1.5
101.07183	2.9
107.04971	0.5
115.05490	0.5
121.06487	0.6
130.03259	1.0
132.10213	20.9
132.95842	1.2
142.12274	0.8
143.11835	0.9
145.06499	0.8
147.08008	0.6
168.98070	0.7
169.06082	0.8
169.13432	1.9
187.07549	0.6
187.14432	10.8
187.15976	0.8
201.05432	0.6
215.13899	3.3
233.14931	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	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
53.64214	0.4
56.05039	17.5
57.03441	3.1
58.06610	3.3
59.30474	0.3
65.77363	0.4
71.96043	0.4
72.08154	0.4
73.02946	0.4
74.06084	100.0
75.46085	0.4
82.48881	0.5
84.04507	4.4
84.08148	0.7
85.02953	0.4
86.06063	0.7
86.09709	23.4
90.87555	0.4
93.96172	0.4
97.02900	0.5
98.97569	0.4
101.07148	2.1
112.02212	0.5
114.03780	0.6
130.03220	0.7
132.10211	17.7
141.13992	0.5
142.12242	0.9
143.11823	0.9
169.06059	0.4
169.13461	1.6
187.14424	8.8
187.15988	0.7
215.13930	3.7
233.14977	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	233.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54555	0.5
55.01876	0.6
55.05502	0.9
56.05041	1.6
56.94304	0.7
56.96301	1.1
56.96569	16.5
56.96851	0.9
57.03441	1.5
59.96184	1.5
60.95857	2.2
61.02927	2.6
61.53809	0.5
69.03433	2.1
69.07077	3.4
70.06578	2.3
70.06987	1.6
70.98109	1.6
71.04999	1.1
71.69170	0.5
71.95251	1.0
72.08166	3.5
72.93784	1.6
73.02915	2.8
74.06092	4.8
74.58751	0.5
75.94566	0.6
81.03421	1.1
82.99841	0.8
84.08153	2.8
84.96041	2.3
85.02917	3.5
86.09711	100.0
87.10046	1.4
88.03980	0.7
88.99206	0.6
95.01315	0.8
95.94199	0.5
97.02904	2.3
98.97591	16.2
99.04453	0.9
99.78188	0.5
100.97202	0.7
100.99140	0.7
101.00887	8.3
101.95024	3.8
101.97208	1.9
102.00990	0.7
102.05558	1.9
102.96878	5.2
103.00634	1.3
103.02480	0.7
107.04974	0.7
109.02849	0.7
110.07214	0.6
110.78416	0.5
110.93721	0.5
110.97573	2.9
112.07627	0.5
112.99140	2.1
113.00871	1.2
113.02380	0.6
115.00703	0.8
115.02443	3.6
116.98643	5.4
118.98270	0.5
119.01923	8.8
119.96117	0.6
119.98166	0.5
120.02045	1.8
120.06598	4.8
120.97940	1.8
121.01704	1.5
122.03027	0.6
127.02422	0.6
127.03917	1.2
128.98645	2.0
129.10223	0.6
130.05037	1.2
130.96251	0.5
131.00171	1.8
131.01903	2.2
132.10222	0.5
132.94820	1.0
132.95822	7.4
133.01657	0.6
133.03484	8.6
134.99693	1.1
137.02930	1.0
143.01897	4.9
144.95824	1.7
145.01744	1.3
145.03432	1.7
146.05080	0.6
146.97473	0.6
146.99603	0.9
149.01207	1.0
149.03810	0.9
150.96873	2.5
151.04480	1.3
153.05804	1.0
155.01889	0.9
155.03737	0.9
158.99687	1.6
161.01260	0.7
161.01602	0.7
161.02989	5.5
161.04474	0.9
161.06685	0.7
162.96906	2.1
163.02779	1.7
163.04510	0.5
165.00658	0.6
165.53491	0.5
168.98061	0.9
168.99843	0.6
170.03337	0.5
170.05075	1.2
172.94464	0.7
172.97574	1.5
173.01248	2.1
173.02994	5.2
174.04285	0.6
177.00760	0.9
183.03265	0.7
186.96878	0.5
186.99242	1.0
187.00880	1.9
187.02692	1.2
187.04501	1.3
187.09938	3.2
189.00711	0.9
189.04318	1.3
190.98654	1.5
191.02298	2.4
191.04065	8.3
191.05806	1.1
192.03923	0.6
193.03648	0.8
203.04181	0.6
204.98085	1.0
205.01962	0.8
208.99686	0.8
210.02751	0.8
210.04607	1.3
214.96422	1.3
215.04088	0.6
215.09508	3.1
215.13972	1.2
219.01778	0.8
224.08089	0.7
228.07382	1.3
232.97284	2.0
232.99496	0.9
233.01447	1.3
233.04921	4.8
233.07115	0.8
233.10515	6.2
233.14865	2.6
251.02408	1.8
251.05336	0.6
252.07523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1538
Annotation	6,7-Dehydroartemisinic acid
Peak:m/z	Relative Intensity
53.03939	2.0
53.13283	0.7
55.01871	1.1
55.05516	5.4
56.65031	0.7
57.07076	1.6
63.89933	0.7
67.05509	11.4
67.73417	0.7
69.07078	4.8
69.12903	0.8
71.04994	0.7
71.50830	0.6
71.51240	1.1
73.02902	1.1
76.71491	0.7
76.80841	0.9
77.03936	1.3
79.05498	13.8
81.07063	31.7
83.08624	3.2
91.05489	20.4
91.07587	0.7
93.06482	1.5
93.07050	21.4
95.04977	1.1
95.08614	22.7
97.06514	1.4
97.10204	0.9
102.99953	0.8
103.05468	2.0
105.07037	35.2
107.04968	2.7
107.08597	18.5
109.06514	2.4
109.10176	8.2
111.08080	2.0
115.05444	1.8
116.06258	1.1
117.07028	9.0
119.04925	1.5
119.08586	20.1
121.06516	2.8
121.10159	7.6
123.04435	0.8
123.08044	1.0
125.05999	2.8
128.06200	0.8
129.07028	2.5
130.07816	2.0
131.04958	1.1
131.08580	40.7
133.06459	1.8
133.10143	11.0
134.10895	0.9
135.04396	1.6
135.08043	2.0
135.11684	4.2
137.06013	1.7
139.07545	3.1
141.06989	1.4
143.08586	3.8
145.06483	2.3
145.10138	42.3
147.08063	0.9
147.11717	8.9
149.05977	2.1
149.09674	1.7
149.13243	2.5
151.07562	2.9
153.09106	1.0
155.08586	3.9
157.10144	2.9
158.10892	1.3
159.08043	6.1
159.11710	19.8
161.13286	12.6
163.07523	4.1
163.11166	0.8
167.08453	0.9
169.10121	2.5
171.11676	1.8
172.12517	1.0
173.09616	3.9
173.13254	2.8
177.05467	2.7
177.09114	10.9
178.06270	2.5
182.10927	2.4
185.13229	1.8
187.11224	3.0
187.14830	100.0
188.15140	1.6
189.16432	2.4
191.10683	2.6
191.14319	1.7
197.13245	7.6
205.12311	0.7
205.15900	3.5
215.14346	24.4
215.17877	2.4
218.02145	2.9
233.04419	1.7
233.08041	1.1
233.11638	2.5
233.15372	47.1
233.18855	6.5
233.22560	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1539
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03944	2.5
53.61629	0.9
55.01861	4.0
55.05505	5.5
57.03435	2.3
57.07077	7.5
59.04992	4.0
59.68377	0.9
63.97594	0.9
65.03925	2.7
65.74765	0.9
67.05511	17.4
69.03087	1.2
69.03437	16.9
69.07082	5.6
70.06580	1.6
71.04977	4.3
77.03895	0.9
79.05068	1.4
79.05495	17.6
80.06335	0.9
81.03380	0.9
81.07063	12.6
83.04990	11.1
83.08617	1.9
84.08118	1.2
85.02900	2.2
85.06080	1.1
85.06549	14.0
86.09715	1.2
91.05486	31.9
91.35931	0.9
93.06490	1.3
93.07054	25.7
94.07336	1.1
95.04980	12.8
95.08623	10.4
97.02879	2.6
97.06519	8.2
98.97547	1.4
99.04434	2.1
103.05464	3.6
105.04429	1.3
105.07040	42.9
107.04969	11.2
107.08606	33.9
109.02871	1.7
109.06526	6.7
109.10167	6.7
111.04443	1.0
111.08083	6.5
113.06006	7.6
115.05463	5.9
116.06236	3.0
117.07026	13.9
119.00758	0.8
119.04926	3.2
119.08593	26.6
120.08115	1.9
121.02859	1.3
121.06506	12.6
121.10152	37.5
122.07281	6.5
123.04425	1.7
123.08081	5.3
123.11742	1.1
125.09618	3.9
127.07555	5.5
128.06215	2.2
129.07010	7.2
130.07803	8.6
131.04933	3.2
131.08580	40.2
133.06511	4.7
133.10138	17.6
135.08060	7.0
135.11676	3.2
136.08846	1.2
137.05988	2.2
137.09631	34.1
139.07538	2.9
141.06972	1.7
142.07851	1.6
142.22972	0.9
143.08559	7.5
144.05678	2.6
144.09312	3.1
145.06494	10.0
145.10132	76.1
146.10933	5.5
147.08054	7.9
147.11699	11.7
149.05983	2.2
149.09627	52.6
149.13239	2.6
151.03987	1.1
151.11188	4.4
153.09122	8.5
155.04866	1.5
155.08554	2.9
156.09348	3.4
157.10146	5.7
158.07300	2.6
158.10886	4.2
159.04475	1.5
159.08046	9.4
159.11699	13.2
160.08774	1.7
160.12363	0.9
161.05940	2.8
161.09622	3.0
161.13348	1.1
162.06766	1.4
163.07570	3.6
163.11186	12.7
163.14890	1.7
169.10123	4.0
171.07971	1.3
171.11693	4.5
172.05228	3.1
172.12489	2.7
173.05965	2.8
173.09641	33.7
173.13254	21.8
174.06767	2.3
175.07567	3.0
175.11208	8.6
177.09120	7.5
177.12593	1.5
182.11000	1.5
187.03886	1.1
187.07544	4.2
187.11185	10.9
187.14810	12.3
189.05400	1.2
189.09052	1.4
189.12740	5.7
190.06253	1.5
191.07016	1.4
191.10631	4.4
191.14313	6.8
197.09573	1.2
197.13248	2.0
200.04659	1.2
201.05521	1.6
205.06778	1.4
205.08600	6.0
205.12300	4.1
205.15889	4.3
215.07138	1.6
215.10728	6.6
215.14322	11.4
215.18129	1.5
218.05717	2.3
222.08360	2.2
233.08014	14.5
233.11874	9.1
233.15378	100.0
233.19121	2.7
234.15640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2264
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
50.72527	0.4
53.00309	0.5
53.03947	1.5
55.05513	14.8
57.07078	2.2
65.03945	2.4
67.05509	97.0
68.05853	0.7
69.03457	0.4
69.07071	14.1
70.02400	0.7
70.02799	0.9
71.08612	0.7
77.03900	0.4
79.05499	22.9
80.83583	0.4
81.07062	100.0
83.08624	8.1
90.56725	0.4
91.05470	4.6
93.07050	27.9
95.04978	1.3
95.08612	85.8
97.10178	4.6
105.04494	0.5
105.07022	2.3
107.04987	0.8
107.08601	15.4
109.06517	0.6
109.10164	42.6
111.11720	1.3
117.07001	1.0
119.08589	1.3
121.06480	0.8
121.10152	26.3
122.10456	0.5
123.10829	0.8
123.11716	16.0
131.08586	1.0
133.10092	0.6
135.08084	0.5
135.11699	21.8
135.16620	0.4
137.13263	10.6
145.10143	1.5
147.08069	0.8
147.11629	0.6
148.08833	0.5
149.09613	1.6
149.13274	11.4
151.14838	5.7
159.11697	0.8
163.11220	0.6
163.14841	4.8
165.16393	0.9
171.43562	0.4
173.13205	0.7
177.16383	2.8
177.17760	0.6
191.17914	1.9
233.15581	3.7
233.18959	37.0
233.22594	76.8
234.19395	1.1
234.22913	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.2266
Annotation	Aplotaxene
Peak:m/z	Relative Intensity
53.03954	1.9
55.05515	11.8
57.07079	3.3
65.03942	2.6
67.05508	92.6
69.07073	13.4
71.08619	0.7
71.50978	0.8
74.55802	0.7
79.05498	23.6
81.07059	100.0
81.45266	0.6
82.07401	0.7
83.08624	8.0
91.05479	5.8
93.06481	1.4
93.07051	23.8
95.04965	2.0
95.08611	88.3
97.10167	3.5
105.04546	0.7
105.07057	3.1
107.04961	1.1
107.08597	13.5
109.06557	0.6
109.10163	35.1
111.11699	0.8
117.07008	1.6
119.08575	1.4
120.26192	0.7
121.06496	0.8
121.10149	25.2
123.11716	15.7
131.08624	1.1
133.10164	1.3
135.08066	1.7
135.11699	20.9
137.09618	0.7
137.13246	9.3
145.10132	1.4
147.11685	0.9
149.13264	12.4
151.14851	4.7
159.11739	1.1
163.11252	0.8
163.14848	5.0
177.05438	1.1
177.16425	3.4
177.17679	0.7
182.67563	0.6
187.14716	0.7
191.17932	1.1
233.11578	0.8
233.15237	2.7
233.18951	36.5
233.22589	74.1
234.19307	1.0
234.22841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67126	0.3
55.05505	0.5
56.96564	0.3
63.79087	0.2
68.99786	0.9
69.79626	0.2
70.79160	0.9
72.08148	0.3
79.05477	0.4
84.08117	0.3
87.00818	2.2
91.05480	1.9
93.07045	2.0
95.07623	0.3
98.97568	0.8
103.05473	10.9
105.24759	0.3
114.09196	0.3
117.07014	0.4
118.06556	8.9
120.08115	100.0
121.08433	1.0
128.04977	2.0
130.06503	2.1
131.04933	2.6
144.08095	5.0
146.06021	15.5
148.07562	2.3
149.05922	0.4
154.62979	0.3
155.97237	0.3
160.07510	0.3
164.07072	0.4
166.08629	1.9
188.07080	15.8
192.06717	0.3
206.08138	19.3
216.06581	1.4
234.07610	1.9
234.11325	0.3
234.15385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1695
Annotation	5-(4-Hydroxy-5-methyl-1-methylene-5-hexenyl)-2-methyl-2-cyclohexen-1-one
Peak:m/z	Relative Intensity
53.03941	3.0
55.05500	4.8
57.07079	11.2
58.54766	0.9
59.04984	1.8
64.18586	1.1
67.05178	1.4
67.05508	16.9
69.03438	3.3
69.07072	11.4
70.84119	3.1
71.04998	100.0
77.67451	1.1
79.05499	7.3
81.03401	1.2
81.07063	10.5
83.04958	1.4
83.08599	1.2
84.48344	1.1
85.06535	1.7
86.09711	1.2
91.05052	1.0
91.05498	11.1
93.06494	2.1
93.07053	29.1
93.96905	1.2
95.04976	9.1
95.08598	8.0
97.06535	6.8
103.05437	1.4
105.07044	13.0
107.04948	3.0
107.08618	6.8
109.06529	8.2
109.10149	3.4
111.08086	3.0
115.05433	3.6
117.07004	5.8
119.04968	1.4
119.08585	14.6
121.06494	1.3
121.10159	18.8
123.08076	21.0
125.09637	1.2
129.06966	2.0
131.04904	1.8
131.08537	2.9
133.10149	11.0
133.15633	1.0
135.08040	2.0
135.11684	1.6
135.87088	1.0
137.09645	5.4
139.03920	1.2
142.07886	1.0
143.08586	2.9
144.09300	1.0
145.06496	5.7
145.10103	5.5
147.08029	4.1
147.10698	1.1
147.11681	7.3
149.09625	15.4
151.03995	1.4
155.05995	1.7
157.10103	3.7
159.11731	2.1
161.05966	1.2
161.09639	17.3
162.10439	6.9
171.11743	1.9
173.05988	4.1
175.07487	2.1
175.11194	4.1
175.14844	2.6
179.10663	8.2
187.07556	1.1
189.05418	1.4
189.09125	1.5
189.16408	1.5
190.06236	2.3
191.06982	1.8
198.95036	1.1
199.14861	1.8
203.07097	1.4
205.08484	1.4
217.08607	2.8
217.15901	8.3
235.06059	2.9
235.09552	2.1
235.14861	3.0
235.16925	39.4
247.94322	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2057
Annotation	Nor-ent-labdan-7-en-aldehyde
Peak:m/z	Relative Intensity
53.03957	3.4
55.01868	2.2
55.05511	15.8
57.03435	2.8
57.06794	2.8
57.07078	45.5
60.60848	1.6
61.33189	1.4
65.03934	4.3
66.35646	1.2
67.05508	82.5
69.03440	2.5
69.07071	15.6
71.04987	5.3
71.08615	4.9
71.51299	1.6
77.12569	1.2
78.10852	1.4
79.05494	24.4
79.86469	1.3
81.07056	100.0
83.04966	2.9
83.08619	9.2
83.46907	1.2
85.06551	10.5
85.09708	1.4
85.10185	3.5
91.05476	24.4
93.07050	28.3
95.04962	5.4
95.08610	73.6
97.06528	10.6
97.10154	3.8
99.08099	10.9
105.07027	19.4
107.06183	1.6
107.08584	15.8
109.06551	1.5
109.10158	26.7
109.10847	2.2
111.08086	5.0
113.09645	6.0
119.08575	18.9
121.10139	22.5
123.04403	2.7
123.08063	6.2
123.11707	18.6
127.11194	2.3
129.06960	1.5
131.08560	3.3
133.06549	1.8
133.10139	22.9
135.11707	14.1
137.09636	4.8
137.13246	19.1
139.11220	3.0
145.10109	2.1
147.04333	1.6
147.11674	14.3
149.09615	4.8
149.13264	4.8
151.11211	2.6
151.14824	11.0
152.80789	1.4
153.12794	1.9
157.10175	1.6
161.09631	1.5
161.13254	12.0
165.12769	4.2
175.14822	6.1
179.10675	24.0
189.16393	5.3
191.17967	1.9
193.08664	1.9
199.14891	1.7
217.15976	3.5
217.19537	40.1
235.07655	2.8
235.16954	86.5
235.20589	72.5
236.17339	1.5
242.56389	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60342	1.4
53.03942	3.9
55.01867	5.2
55.05307	1.5
55.05518	16.7
55.93529	3.0
56.05029	1.9
56.05841	1.7
56.96569	64.3
57.03442	15.1
57.07067	4.0
58.03760	1.6
58.06580	1.9
60.04528	4.2
60.95846	2.5
61.02944	10.9
69.03436	25.1
69.07067	2.1
70.06606	12.2
70.95866	1.9
70.98119	4.6
71.01353	1.8
71.04989	3.3
71.50182	2.5
71.95275	6.1
72.08157	7.1
72.93786	4.8
73.02923	20.4
73.06564	12.8
74.03211	1.8
74.06074	2.3
74.19761	1.6
79.05492	1.9
81.03423	9.1
82.06607	1.8
83.05005	2.5
84.04507	4.6
84.08165	17.8
84.96043	7.8
85.02917	34.5
85.06544	2.3
86.03256	2.3
86.06074	2.4
86.09706	7.6
87.04459	4.8
89.00782	2.4
90.94835	5.5
91.05495	8.0
92.03124	1.8
93.07059	2.1
94.06580	8.5
95.01358	1.8
95.04983	3.6
97.02897	32.5
98.97594	98.0
99.04449	4.1
99.97923	4.2
101.00849	6.5
103.05494	2.5
104.01289	1.9
105.07042	1.8
106.05042	2.8
107.04967	61.1
108.05312	3.9
109.02893	7.3
110.01289	6.0
110.03136	1.9
110.07178	7.9
110.97590	16.4
112.07602	3.2
112.08709	1.7
112.99135	2.9
113.10925	1.4
113.96426	2.0
115.02457	2.0
115.03938	3.5
116.07130	1.7
116.98630	33.2
119.01893	13.6
119.03605	2.3
119.04940	1.7
120.08105	5.9
121.72347	1.8
122.01283	1.7
123.04481	3.1
124.02786	1.5
124.99131	4.0
125.99334	1.8
126.09169	1.8
127.00723	2.8
127.03909	9.9
128.02339	3.4
128.98610	16.9
129.02229	4.8
129.10255	3.6
130.08673	4.2
130.93343	5.4
131.00166	5.9
131.01845	4.8
131.97359	2.4
132.95847	5.6
133.95993	2.2
134.99684	8.6
136.06180	3.2
136.07628	3.4
136.93117	3.4
137.06024	8.0
137.07904	4.8
139.05040	3.2
140.03450	2.9
140.98595	2.8
143.00180	8.4
143.01884	6.1
144.98039	3.1
145.01770	6.4
145.03496	4.2
145.04950	2.9
145.96057	1.8
146.02258	7.0
146.04085	9.5
146.06023	9.2
146.99666	7.6
147.03235	6.7
147.04309	2.2
149.01204	4.0
149.04491	2.6
149.05943	1.7
150.96899	1.8
152.00221	1.9
152.02348	2.5
152.05768	1.8
152.98610	2.6
154.03885	4.4
154.54004	8.3
155.02831	2.8
155.04671	100.0
155.54843	3.9
156.03409	3.3
158.99669	22.3
161.01195	5.9
161.02881	8.8
163.02818	5.0
163.04294	1.7
164.02351	3.4
164.05228	17.8
165.04298	3.9
166.55484	3.0
166.96483	1.9
167.07030	1.9
170.99680	9.8
171.01385	7.3
173.01416	2.0
173.02907	6.2
174.96867	3.2
175.97195	3.1
177.00751	13.1
180.10957	1.9
182.03392	10.7
182.04857	1.9
182.99643	2.4
185.02940	3.7
186.04367	4.9
186.99178	2.5
187.02837	2.4
188.05159	3.2
189.00720	6.8
189.02425	2.6
189.04373	3.7
189.05925	2.3
190.55162	2.2
191.02365	3.4
191.03958	6.4
191.05739	4.7
191.08490	2.1
194.03381	5.0
194.97522	2.7
200.09114	2.5
201.00746	7.1
206.06207	1.9
206.56259	1.9
207.01682	2.0
211.94022	3.2
212.04465	3.6
212.94841	3.7
212.98764	1.9
213.00644	6.8
213.02446	3.8
213.04260	1.7
218.06290	2.6
219.01826	12.5
221.05086	2.3
226.56125	2.9
227.06828	26.1
227.57079	2.4
230.95883	6.1
230.98177	5.5
231.01794	5.7
235.99281	4.4
236.02203	3.1
236.07196	6.5
236.12813	4.3
236.14899	5.6
236.17310	9.5
237.02841	10.1
245.05132	2.6
248.99289	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04040	8.3
70.21292	32.9
71.35111	10.6
78.48952	11.5
78.95638	36.4
87.34105	8.4
104.97168	76.8
104.99294	10.8
107.36711	9.1
120.96664	18.6
132.96635	45.4
176.95641	100.0
188.95573	14.4
213.99304	9.2
218.96667	14.6
236.14806	9.9
236.97758	53.2
237.03496	68.1
237.15416	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	237.1236
Annotation	Phe Ala
Peak:m/z	Relative Intensity
53.03928	0.2
56.96564	0.5
57.07069	0.2
70.06586	0.7
70.50566	0.2
70.50921	0.5
72.08158	0.4
74.06094	0.2
77.03896	0.2
78.99283	0.2
79.05478	0.2
84.04517	0.3
84.08145	0.8
85.02921	0.3
85.06529	0.2
90.05540	0.5
91.05495	0.9
93.07043	2.1
95.04986	0.3
97.02895	0.2
98.21444	0.2
98.97590	0.6
103.04803	0.3
103.05472	6.2
106.02848	0.2
107.04972	0.4
113.42699	0.2
118.06514	0.3
120.08106	100.0
121.08480	0.8
127.18520	0.2
129.10257	0.2
131.04939	0.3
135.01436	0.2
136.07579	0.3
139.03841	0.2
142.00780	0.2
146.06006	0.2
174.05525	0.2
178.07118	0.2
178.10574	0.2
191.11795	0.3
237.12372	1.8
237.15244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03953	3.5
55.01862	5.2
55.05512	21.7
57.03440	5.5
57.07080	5.8
59.04998	7.2
62.36557	2.5
64.70580	2.7
65.03928	3.4
65.73573	2.8
67.05504	25.6
69.03435	26.3
69.07072	21.9
69.17802	25.4
71.04999	34.3
79.05501	31.0
81.03428	20.0
81.07058	100.0
83.04977	12.6
83.08607	7.8
84.08137	3.3
85.02891	5.8
85.06571	5.6
91.05479	18.0
93.07047	35.0
95.04969	15.5
95.08620	34.8
97.02863	4.0
97.06535	14.8
97.10181	2.7
98.21145	12.6
99.08099	46.8
103.05504	4.0
105.07022	39.0
107.05013	2.7
107.08607	43.1
109.02867	3.5
109.06493	18.2
109.10154	38.4
111.04426	5.4
111.08091	6.7
117.07021	7.1
119.08578	16.2
121.06580	5.5
121.10157	26.4
123.08061	8.8
123.11701	20.3
125.02489	2.9
125.09637	8.9
127.07554	23.4
127.11193	40.1
131.04881	2.5
131.08546	9.5
133.10135	52.4
133.92294	2.9
135.08067	9.4
135.11726	12.5
137.05959	3.5
137.09593	3.4
139.07553	2.5
139.11209	7.1
143.10669	9.5
145.10094	24.0
147.11708	13.2
149.09627	5.9
149.13304	12.7
151.10001	3.8
151.11185	59.6
155.10681	13.1
159.11687	10.6
161.13268	9.1
163.11177	8.8
163.14894	4.2
169.12215	4.7
176.04631	2.6
177.16388	2.9
191.10683	3.6
191.17850	3.7
193.05035	10.2
201.16397	8.8
219.13809	3.9
219.17461	30.7
237.07304	17.7
237.14668	5.0
237.16623	4.9
237.18529	25.1
237.22116	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	237.185
Annotation	2-Sterpurene-10,15-diol
Peak:m/z	Relative Intensity
53.03942	3.3
55.01850	2.6
55.05505	8.3
57.07062	4.8
59.04990	6.8
67.05507	19.2
69.03442	8.4
69.07065	10.0
69.67349	7.8
69.67760	3.2
71.04998	24.9
79.05495	17.3
81.07062	100.0
83.05000	2.2
83.08608	4.7
85.06544	3.1
91.05501	10.1
93.07051	53.1
95.04951	6.6
95.08609	26.2
97.06532	5.1
97.10158	1.8
98.21451	1.6
98.97556	2.9
99.08099	26.2
101.98769	1.4
105.07046	21.2
107.08601	26.5
109.06532	14.3
109.10166	24.1
111.08050	2.3
111.11653	1.6
113.06001	7.4
117.07025	3.3
119.08584	13.1
121.10149	13.2
123.08078	3.6
123.11719	28.2
125.09617	7.6
127.07564	13.5
127.11198	16.3
129.07004	2.4
131.08580	4.4
133.10126	40.4
135.11713	9.9
137.09621	2.8
143.10670	2.6
145.10150	11.2
147.11700	9.9
148.06857	1.5
149.09657	1.8
149.13246	6.5
151.11194	44.8
155.10667	5.7
159.11696	5.2
161.13264	5.9
163.11113	2.0
165.12730	2.5
169.12206	2.7
170.46944	1.5
173.13239	4.7
175.14775	1.7
177.16338	2.6
183.35655	1.6
191.07024	2.5
191.14258	1.8
191.17856	3.6
193.05074	1.6
201.16354	7.9
219.17438	24.6
237.07533	2.4
237.18568	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
55.01853	4.7
55.05514	13.8
57.03425	5.8
57.07074	5.8
59.05012	13.7
59.45576	2.1
65.03941	4.2
67.05508	21.7
69.03439	22.0
69.07074	12.9
70.06588	2.4
71.05001	38.0
71.05598	4.6
71.18259	2.3
79.05132	2.6
79.05502	28.8
81.03413	3.5
81.07063	100.0
83.04990	6.1
83.08613	6.7
85.06531	6.0
91.05487	13.1
93.07052	28.4
95.04964	10.6
95.08617	21.4
97.06550	8.2
97.10166	6.3
98.97591	4.9
99.08104	54.3
103.05416	3.2
105.06399	3.0
105.07049	33.3
107.08616	29.3
109.06520	18.4
109.10166	30.0
111.08107	4.8
119.08580	10.2
121.10135	21.8
123.08047	9.4
123.11726	12.3
125.09628	13.0
125.85255	2.7
127.07561	33.3
127.11198	32.0
131.08557	6.1
133.10138	54.1
135.08055	3.2
135.11693	10.1
137.09607	3.6
139.11192	4.8
143.10670	8.7
145.10141	19.3
147.11667	11.3
149.09549	2.5
149.13292	12.0
151.11191	52.4
155.10695	11.8
159.11658	9.1
159.53175	2.3
161.13287	6.7
163.11234	5.2
165.12724	3.3
169.12279	3.0
177.05492	2.8
201.16449	11.5
205.05016	2.9
219.06825	2.3
219.17447	16.1
237.04100	2.8
237.07521	5.8
237.14914	3.3
237.18575	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03933	1.9
55.01878	2.3
55.05517	10.4
57.03424	5.2
57.07068	1.6
59.04979	3.4
64.93776	1.3
67.01875	2.6
67.05517	11.0
67.09028	1.2
67.11073	1.4
68.99792	1.8
69.03435	25.7
69.07073	8.5
69.19426	13.8
71.04999	46.4
79.05494	12.3
81.03418	11.2
81.07065	48.1
83.04966	5.7
83.08600	4.0
85.02890	2.7
85.06560	2.8
91.05486	15.2
93.07049	26.4
93.29153	1.7
95.04947	9.0
95.08614	15.3
97.06503	5.1
97.10178	2.7
99.08092	16.2
103.05491	1.9
105.07034	27.3
107.04980	2.5
107.08591	25.4
107.45580	1.2
109.02867	2.6
109.05835	1.4
109.06537	23.4
109.10169	18.6
111.08044	2.6
117.06993	3.0
119.08594	11.3
121.10165	15.2
123.08050	5.2
123.11712	16.2
125.05982	1.5
125.09608	7.7
127.03910	1.6
127.07575	7.6
127.11202	59.7
127.12145	3.2
129.06966	1.5
131.04922	1.9
131.08556	4.1
133.10139	41.2
135.04448	1.7
135.08055	2.1
135.11674	4.1
137.06013	7.3
137.06903	1.4
137.09595	1.8
139.11174	4.3
143.10692	9.8
145.10126	22.1
147.04388	2.8
147.11697	7.6
149.02316	2.0
149.09552	2.1
149.13252	4.7
151.11188	69.3
153.01837	5.5
155.10683	20.3
159.11720	9.6
161.13271	4.9
163.11206	2.4
165.05518	2.7
173.13292	1.9
177.09055	2.9
177.12747	1.9
191.18010	3.2
193.04982	100.0
201.16348	6.1
204.00055	1.5
205.22704	1.7
219.06551	6.9
219.10089	1.9
219.13837	2.3
219.17384	7.7
237.07567	73.4
237.14859	1.6
237.18539	15.7
238.08067	1.8
259.59897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.39144	1.6
53.03946	5.3
54.26473	1.5
55.01872	2.9
55.05516	10.4
57.03437	2.7
57.07081	4.8
57.37003	1.6
59.05013	8.6
65.03943	2.8
67.05514	25.9
69.03436	16.3
69.07077	11.1
71.05002	37.7
71.50858	2.8
74.42214	1.6
79.05495	26.1
81.03426	10.1
81.07064	100.0
83.04987	5.9
83.08616	5.1
85.06548	6.5
91.05496	15.0
92.93570	1.6
93.07054	28.8
95.04963	7.6
95.08617	23.1
96.91307	1.5
97.06537	11.1
97.10178	4.4
98.21053	1.5
99.04497	1.4
99.08101	56.3
99.08758	2.7
101.44098	1.4
103.05489	2.8
104.38091	1.4
105.07040	34.5
105.07693	3.0
107.04943	4.4
107.08601	29.8
109.06535	22.3
109.10165	30.4
111.08064	2.4
111.11802	1.7
115.05504	1.6
117.07018	4.4
119.08586	15.5
121.06553	3.8
121.10149	18.5
123.08074	4.6
123.11702	13.6
125.09653	11.1
127.07570	25.7
127.11208	32.3
127.12129	1.6
129.07010	2.3
129.09233	1.4
129.85054	1.4
131.08563	8.3
133.10147	49.4
135.04459	1.9
135.08063	3.6
135.11720	10.0
137.05997	1.7
137.09627	3.0
139.11165	5.1
143.10703	7.2
144.05779	1.8
145.10124	16.3
147.11717	10.7
149.05948	2.1
149.09653	4.4
149.13284	10.9
151.11195	59.1
155.10709	11.4
156.13876	3.6
159.08067	3.6
159.11711	8.9
161.13243	9.3
163.11253	3.3
163.14873	3.2
165.06993	2.3
165.12773	4.4
169.12247	4.4
173.13210	3.5
174.54495	1.6
174.77100	1.7
176.04800	1.7
177.05473	2.2
177.12784	2.5
177.16386	4.1
181.08665	1.9
181.10097	2.2
187.07561	2.5
191.14223	1.8
192.46878	1.6
193.04970	6.4
193.08640	1.8
195.11708	3.2
201.16415	9.4
219.10226	2.5
219.13872	1.6
219.17473	16.5
222.05246	1.7
237.07289	8.1
237.16516	1.8
237.18546	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	237.185
Annotation	Sirenin
Peak:m/z	Relative Intensity
53.03946	2.8
55.05507	12.5
57.03438	2.7
57.07074	4.4
57.49821	2.3
59.05006	4.8
64.53225	2.3
67.05515	17.1
69.03432	20.9
69.07065	10.0
71.04996	34.3
79.05493	23.5
81.03418	7.9
81.07061	100.0
81.07538	5.1
83.04964	7.4
83.08623	7.0
85.02882	3.7
85.06551	3.7
91.05473	13.7
92.23515	2.2
93.07049	38.5
95.04967	10.2
95.08614	21.5
97.06539	8.6
97.10181	4.0
98.20776	7.6
98.97598	4.1
99.08095	47.4
105.07037	29.5
107.08604	35.8
109.06517	23.2
109.10160	29.1
117.06973	5.6
119.08560	13.6
121.10146	16.9
123.08074	8.2
123.11716	19.0
125.09653	10.9
127.07577	20.3
127.11206	31.8
129.07027	3.5
129.10037	2.3
131.08559	6.6
133.10147	51.8
135.08018	2.4
135.11742	11.3
135.56949	2.3
137.09647	3.3
139.11215	4.5
143.10689	7.1
145.10178	14.3
147.11678	14.1
149.13251	10.5
151.11188	56.5
154.03949	2.9
155.10632	13.6
158.99763	2.3
159.11726	11.4
161.13252	5.4
163.11215	2.3
163.91071	2.7
165.12776	3.8
175.14812	3.8
177.05536	3.5
177.12773	2.9
191.07079	2.6
191.18028	3.5
193.05098	3.3
201.16388	8.7
219.13702	2.8
219.17465	16.9
237.07376	5.3
237.18520	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	237.2214
Annotation	Bombykal
Peak:m/z	Relative Intensity
53.03935	5.6
55.01869	3.0
55.05513	79.5
57.03422	6.7
57.07080	28.9
62.71240	1.8
65.03923	3.0
65.30383	1.7
67.05507	86.6
69.07069	94.7
70.34370	4.6
70.34760	4.2
71.04981	6.6
71.08631	13.1
73.06582	1.7
75.30167	2.0
79.05494	46.7
81.07059	100.0
83.04965	5.7
83.08623	86.6
83.09123	4.2
85.06531	3.5
85.10168	3.3
85.84351	1.9
91.05481	9.7
93.06480	3.9
93.07042	57.3
95.04941	3.6
95.08610	81.3
97.06541	31.9
97.10173	44.7
99.08080	5.5
105.07011	5.8
107.08602	36.9
109.10158	35.1
111.08087	20.7
111.11683	9.8
113.09698	2.7
119.08520	2.1
120.89610	1.8
121.10149	77.0
123.11703	29.1
125.09595	7.1
127.11204	3.4
135.10712	3.1
135.11707	61.5
137.13249	16.5
139.11154	8.2
141.12756	3.6
142.65440	2.0
145.10117	3.6
149.02357	18.9
149.13277	25.8
153.12711	2.8
163.14804	12.4
174.50603	1.8
177.16454	4.1
180.64380	1.8
193.04991	10.5
209.11739	6.6
219.21095	53.5
237.07451	12.3
237.12737	3.0
237.14610	2.6
237.18393	4.4
237.22118	95.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2214
Annotation	Bombykal
Peak:m/z	Relative Intensity
50.82413	1.5
53.03930	4.9
55.01871	1.8
55.05514	85.5
57.03445	7.1
57.07080	40.4
65.03924	2.1
67.05508	92.9
69.07072	96.6
69.31145	6.4
69.31565	5.1
71.04976	6.1
71.08628	17.2
79.05495	52.6
80.58153	1.5
81.07063	100.0
83.04970	5.0
83.08622	90.0
85.06527	3.6
85.10179	4.2
91.05466	7.6
93.07047	63.2
93.07639	3.6
94.07360	1.6
95.04959	2.8
95.08611	74.0
97.05924	2.3
97.06537	40.3
97.10174	50.0
98.20786	3.1
99.08102	5.8
105.07009	2.2
107.08600	42.7
109.09481	2.5
109.10162	31.9
111.08086	19.1
111.11744	7.8
112.38129	1.5
115.11204	2.4
121.10147	96.7
123.11707	27.2
125.09660	7.3
127.11193	5.1
131.08548	1.4
133.53326	1.3
135.11697	67.0
137.13252	19.5
139.11157	6.5
141.12717	5.1
149.13271	28.9
151.14821	2.3
153.12772	1.8
163.14857	11.2
177.16397	4.6
181.04932	1.9
191.10583	2.1
192.67908	1.4
209.11667	3.9
219.21091	65.0
229.28949	1.7
237.12756	1.8
237.22131	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01870	2.7
55.05515	68.7
57.03426	6.1
57.07082	35.6
65.03938	2.3
67.05510	84.5
69.07075	95.0
69.67286	10.3
71.04987	5.5
71.08640	12.9
79.05501	38.2
81.07064	100.0
83.04977	5.7
83.08628	77.1
83.09122	4.7
85.06538	4.0
85.10163	1.9
91.05482	4.8
93.06486	3.6
93.07052	54.6
93.64381	1.6
95.04963	2.2
95.08616	74.1
97.06547	33.2
97.10179	42.0
99.08069	4.3
106.93612	1.6
107.04936	1.9
107.08602	34.9
109.06548	1.9
109.10175	34.1
109.10922	2.2
111.04447	3.6
111.08096	18.3
111.11734	8.6
113.09639	4.7
115.11233	2.9
121.10154	76.0
123.11718	28.9
125.09634	6.6
127.11193	4.4
135.11700	60.9
135.12727	3.3
137.13281	16.8
139.11165	5.0
141.12778	4.1
149.02383	2.5
149.13266	25.2
149.61192	1.8
151.14847	1.9
153.12703	2.6
163.14806	8.7
177.16422	3.2
191.10695	2.1
193.05032	2.6
195.11746	2.3
209.11694	6.3
219.21094	62.1
237.12657	2.5
237.14699	2.6
237.22133	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05517	32.3
57.03429	5.6
57.07083	29.2
59.05005	39.0
66.08487	3.0
67.05502	23.6
69.07074	47.3
71.05000	4.6
71.08637	6.2
71.40437	4.4
73.06548	3.8
79.05492	9.7
80.50526	2.6
81.07064	95.6
83.08632	27.2
83.66985	2.6
85.06554	6.0
91.05492	7.1
93.07059	28.1
95.04970	3.2
95.08616	100.0
97.06546	12.9
97.10189	18.7
99.08131	3.6
105.07030	13.2
107.08600	41.5
109.06502	5.9
109.10160	50.7
111.08093	13.2
111.11723	14.7
119.08582	33.6
121.10161	33.2
123.08093	7.4
123.11717	35.5
125.09636	12.4
129.74265	2.8
133.10147	33.6
135.11700	32.5
137.12189	4.7
137.13264	99.4
139.11176	21.3
143.10695	10.2
147.11705	28.3
149.13280	17.5
151.11201	12.4
151.14853	3.6
153.12784	7.0
157.12242	3.4
161.13274	12.6
161.14682	2.6
163.14812	33.9
165.12769	8.9
175.14868	5.6
177.16405	9.5
193.19502	6.3
203.17972	54.7
203.19786	4.4
209.05902	3.0
211.07596	7.8
221.19037	60.3
239.07037	6.3
239.17914	5.2
239.20064	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	239.2007
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
52.71250	2.4
55.05316	2.5
55.05516	28.7
55.99293	2.4
57.03436	2.8
57.07077	24.4
59.05008	34.5
67.05509	22.0
69.03442	3.0
69.07069	40.4
71.04975	8.2
71.08616	2.5
71.35009	3.1
79.05484	10.4
81.06592	4.8
81.07063	79.6
83.04990	3.2
83.08630	23.5
83.84686	2.4
85.06551	6.3
91.05466	7.8
93.07040	28.9
95.08616	100.0
97.06535	10.0
97.10189	19.1
105.07040	15.7
107.08609	35.1
109.06528	4.6
109.10166	40.1
111.08080	9.3
111.11730	11.2
115.07561	5.5
119.08582	23.0
121.10144	28.8
123.08053	6.0
123.11705	35.2
125.09630	9.7
127.11161	3.4
133.10146	23.9
135.11717	27.4
137.09663	4.6
137.13258	95.3
138.13634	4.1
139.11191	19.9
141.28455	2.9
143.10687	10.6
147.11676	24.4
149.13216	16.6
151.11198	9.7
153.12753	2.8
157.12297	4.9
161.13269	12.0
163.14816	32.0
165.12727	5.3
168.05736	3.7
175.14835	7.0
176.22980	2.5
177.16414	13.2
179.17921	2.8
193.19569	8.1
203.17973	48.2
211.07471	3.1
221.19028	51.0
239.06935	6.2
239.20062	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	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
53.00302	0.8
53.03941	1.2
55.05516	25.2
57.07079	100.0
61.65287	0.7
65.03938	1.2
67.05509	51.7
69.07075	26.2
71.04996	0.7
71.08636	60.8
76.95114	0.8
79.05077	0.8
79.05472	4.9
81.07062	55.8
83.08624	28.2
84.00664	0.7
85.06536	3.1
85.10186	28.9
88.02191	1.1
89.06010	1.4
89.07243	0.7
91.05505	1.2
93.07033	3.3
95.08612	74.8
97.10175	12.0
99.08092	1.7
99.11736	1.1
109.10160	26.4
111.11696	1.9
123.11730	8.4
137.13214	2.9
169.10008	0.9
183.11684	0.9
213.34151	0.8
239.08923	2.3
239.18094	1.5
239.23679	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	22.9
57.07079	100.0
65.03931	1.6
67.05508	53.2
69.07071	25.9
71.04985	1.4
71.08636	61.8
71.51643	0.7
73.32758	0.6
79.05499	5.6
81.07063	55.0
83.08624	28.4
83.55601	0.6
85.06551	3.5
85.10188	29.8
89.06037	3.3
91.05478	0.7
93.07042	4.1
95.08611	73.6
97.10170	11.5
99.08086	2.0
105.06985	0.7
109.06559	0.6
109.10162	28.2
111.11687	1.9
113.09647	0.7
123.11704	8.1
133.08612	1.4
137.13248	2.5
151.14832	1.0
155.08574	1.2
179.08542	0.6
183.11641	0.7
239.08899	5.1
239.14336	1.3
239.18018	2.8
239.23701	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0859
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01865	0.6
55.05501	0.3
55.97585	0.3
67.05496	0.4
68.99746	0.4
69.03420	0.5
69.07077	0.6
69.85125	0.7
69.85554	1.3
79.05497	0.5
81.03378	0.4
81.07049	0.8
84.08167	0.6
91.05470	0.7
93.07031	0.9
95.04963	0.6
95.08556	0.5
98.21426	0.5
100.36074	0.4
105.07016	0.5
107.08585	0.7
109.10137	0.5
119.08582	0.6
121.10128	0.9
135.08052	0.6
141.05650	0.4
141.06961	0.7
152.06183	4.0
153.06992	4.5
155.04904	0.5
155.08522	1.2
157.06418	1.0
157.10124	0.4
165.07028	5.1
166.07755	0.8
167.08574	3.9
169.06503	1.5
170.07278	7.0
171.08023	0.6
176.06178	0.9
177.07031	3.3
180.05669	1.6
181.05309	1.0
181.06482	28.3
182.07278	4.4
183.08040	5.4
184.05217	1.2
185.09583	2.2
185.13211	0.4
194.07210	1.2
195.08051	9.5
197.05956	2.6
198.06732	8.0
205.06509	1.7
206.07405	0.4
208.05208	4.6
209.05975	7.0
210.06766	13.2
212.04694	0.8
213.09102	12.7
222.06831	0.6
223.07567	2.5
223.09380	0.5
224.08344	1.1
226.06236	19.3
227.06976	2.2
240.07896	0.5
241.08592	100.0
242.08957	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0861
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01883	0.8
62.82795	0.4
69.29933	4.1
75.82623	0.4
92.64635	0.4
107.04980	0.6
107.80042	0.4
110.33333	0.4
128.06197	0.5
131.08607	0.4
141.07002	1.4
142.07761	0.8
143.08630	0.5
152.06206	4.6
153.07018	5.6
154.07779	0.7
155.04861	0.5
155.08549	1.5
157.06474	1.0
157.97432	0.5
165.07014	8.7
166.07813	0.9
167.08586	3.9
168.05673	0.6
169.06520	1.3
170.07275	11.3
171.08005	0.7
176.06120	1.1
177.07065	3.6
180.05708	2.4
181.06490	27.7
182.07283	9.4
183.08066	7.7
184.05185	1.3
185.09628	3.0
193.06429	0.6
194.07286	1.3
195.08070	10.1
197.05974	2.9
198.06779	13.5
199.07561	0.8
205.06482	1.3
208.05183	3.7
209.06004	6.9
210.06772	13.3
212.04684	0.9
212.08298	0.5
213.09114	36.2
214.09306	0.6
222.06760	0.5
223.07594	2.7
226.06256	15.6
227.07042	1.6
241.08606	100.0
241.19540	1.2
242.09038	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	241.0859
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01873	1.5
57.07051	0.5
69.07094	0.4
70.56346	1.2
70.56701	0.5
70.97102	0.4
74.81165	0.4
79.05493	0.5
107.04976	0.5
115.05478	0.9
128.06190	1.1
129.07011	1.0
131.08598	0.5
141.07007	2.6
142.07774	1.6
145.06520	0.6
152.06209	7.5
153.07001	11.8
154.07808	1.5
155.04942	1.0
155.08553	4.2
157.06522	1.3
157.10136	1.3
165.07025	10.8
166.07661	0.5
167.08534	1.1
168.05710	1.6
169.06491	4.0
170.07280	17.0
171.08072	2.9
176.37840	0.6
180.05708	5.0
181.06496	23.7
182.07289	15.2
183.04491	1.2
183.06500	0.8
183.08073	11.6
184.05173	1.0
185.06052	0.5
185.09624	9.4
185.13477	0.4
192.05751	0.8
195.08044	7.6
196.08830	0.6
197.05984	4.7
198.06786	24.0
199.07578	3.1
208.05223	3.3
209.05965	3.1
210.06714	3.4
211.07542	1.7
212.04762	0.8
212.08351	0.9
213.09119	60.2
214.09425	0.8
223.07520	2.5
225.05527	0.6
226.06258	10.8
227.07080	2.6
241.08612	100.0
241.19540	1.1
242.09346	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	241.086
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
50.52528	0.3
53.72046	0.3
55.01875	0.7
67.05471	0.3
70.85416	0.4
70.85745	0.5
79.05478	0.8
81.07044	0.9
84.76330	0.3
85.01116	0.6
118.97779	0.4
129.07008	0.5
130.93242	0.3
131.08545	0.6
141.06953	0.8
143.26044	0.3
152.06210	3.9
153.06995	4.2
155.08527	0.9
157.06480	0.8
157.10106	0.3
165.07028	5.6
166.07741	0.7
167.08589	3.8
169.06505	1.0
170.07271	8.5
171.07867	0.3
176.06244	1.0
177.06998	4.5
180.05730	2.5
180.07068	0.5
181.06491	29.3
182.07275	4.9
183.08067	5.4
184.05231	1.4
185.09682	2.2
193.06458	0.5
194.07294	1.2
195.08076	9.4
197.06020	2.4
198.06760	8.2
199.07516	0.5
205.06505	1.3
208.05220	5.4
209.06004	6.7
210.06778	13.7
212.04756	0.8
212.08330	0.8
213.09117	15.7
222.06767	0.6
223.07588	2.8
224.08414	0.8
226.06262	19.4
227.07004	1.8
240.07753	0.4
241.08601	100.0
242.09059	2.4
244.33832	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0862
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
50.75857	0.4
55.01868	0.6
55.05506	0.6
67.05524	0.4
70.31273	1.3
81.07050	1.1
85.06537	0.6
91.05478	0.9
93.07045	0.7
95.08578	0.5
97.02889	0.5
105.07032	0.4
107.08617	0.8
109.10110	0.3
119.08556	0.5
120.31165	0.4
121.10184	0.4
128.06145	0.5
141.06976	0.6
143.08517	0.5
152.06219	4.2
153.07008	4.4
155.04941	0.6
155.08549	1.7
157.06473	1.1
157.10165	0.5
163.03967	0.8
165.07004	6.5
166.07802	0.7
167.08551	3.7
169.06506	1.2
170.07289	7.6
171.07993	0.6
176.06207	0.8
177.07008	4.0
180.05634	1.9
181.06494	28.5
182.07304	5.6
183.08047	5.7
184.05199	1.3
185.05945	0.7
185.09673	2.2
185.13271	0.4
193.06467	0.5
194.07275	1.2
195.08067	9.7
197.05888	2.2
198.06766	10.1
205.06465	1.6
208.05215	4.7
209.05986	6.9
210.06770	14.0
211.07031	0.4
212.02823	0.4
212.04718	1.5
213.09117	16.3
222.06743	0.8
223.07516	2.7
223.11200	0.4
224.08339	0.8
226.06264	20.6
227.06961	1.6
240.07881	0.5
241.08603	100.0
241.15695	1.6
242.08942	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0861
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
52.76780	0.6
56.90221	0.5
70.66260	1.5
79.05484	0.6
81.07078	0.7
83.87840	0.5
85.02896	2.3
89.71918	0.5
93.07058	0.8
95.08605	0.9
105.07022	0.9
107.08590	0.6
128.06233	1.3
128.43861	0.6
129.07011	1.5
131.08548	1.2
141.06960	1.1
142.07771	1.5
143.08549	1.1
145.10051	0.5
152.06197	4.3
153.07005	13.5
155.08577	1.3
157.06509	1.7
157.10127	1.7
162.47968	0.5
165.07037	2.0
166.07744	1.0
167.08548	1.4
169.06523	2.0
170.07263	4.4
171.08038	0.8
171.11777	0.7
180.05672	1.1
181.06482	14.8
182.07281	10.1
183.07968	0.8
183.11751	0.7
185.06079	0.7
185.09602	1.7
185.13205	0.7
195.08072	3.2
197.05954	4.5
198.06784	23.1
199.07587	3.3
209.05966	0.7
210.06813	1.0
213.09082	6.6
223.14877	0.5
226.06259	1.5
227.07036	1.4
241.08609	100.0
241.15874	2.0
241.19569	1.6
242.09238	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	241.0859
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
55.01863	0.4
60.63170	0.2
61.77467	0.2
66.89050	0.2
67.05513	0.3
71.50809	0.2
81.03402	0.3
85.63133	0.2
91.05463	0.2
100.41177	0.2
105.07053	0.2
117.07087	0.2
120.00587	0.2
123.40517	0.2
128.06274	0.3
140.84761	0.2
141.06972	0.7
142.07747	0.3
144.05644	0.3
145.06522	0.2
152.06207	4.3
153.07005	5.0
154.07643	0.3
155.04910	0.6
155.08531	1.3
156.05696	0.3
157.06471	0.6
165.07018	5.4
166.07837	0.9
167.08571	4.4
168.05653	0.4
169.06485	1.3
170.07280	7.7
171.08067	0.4
171.11746	0.2
176.06221	1.2
177.07010	4.4
178.07771	0.3
180.05713	2.0
181.06482	28.8
182.07278	5.7
183.06506	0.4
183.08051	5.6
184.05214	1.3
185.06023	0.3
185.09628	2.0
189.07083	0.2
193.06487	0.5
194.07307	1.6
195.08051	9.3
197.05957	2.7
198.06767	9.0
199.07504	0.4
205.06451	1.8
206.07278	0.6
208.05220	5.7
209.05984	7.1
210.06769	13.1
211.07359	0.6
212.04733	1.0
212.08339	0.4
213.09108	18.0
214.09448	0.4
222.06726	0.8
223.05458	0.3
223.07539	3.3
224.08263	0.7
225.05502	0.3
226.06255	18.6
227.06940	1.8
240.07907	0.5
241.08591	100.0
242.08998	2.4
242.28336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05503	0.2
56.94301	0.6
56.96568	0.8
57.03429	0.4
58.06603	19.2
61.02919	0.8
69.03431	0.8
69.22849	0.9
69.23277	0.6
70.06599	3.4
70.19531	0.2
71.04977	0.4
72.08157	0.3
72.93787	0.6
73.02902	0.4
74.31980	0.2
81.03425	0.8
83.04992	0.2
84.08144	9.6
85.02915	0.9
85.06552	0.3
87.04443	0.2
90.94827	0.2
95.01344	0.8
95.95549	0.2
97.02916	1.0
98.06067	0.4
98.09702	1.6
98.20812	0.3
98.97572	0.6
99.04417	0.2
100.11263	0.4
100.89096	0.1
101.00867	0.5
112.99174	0.2
113.00892	0.4
113.96394	0.6
114.05518	0.5
115.02422	0.6
115.03978	0.2
115.08515	0.2
116.07011	0.3
116.10711	0.2
119.01905	0.6
120.02015	0.2
124.07524	0.2
126.05493	0.6
126.09182	0.4
127.02425	0.3
127.03899	0.2
128.10716	4.5
128.98587	0.2
129.01892	0.2
129.03984	0.3
131.01897	0.7
131.05544	0.2
133.03461	0.3
143.01909	0.4
143.42584	0.2
144.10202	1.3
145.03444	0.4
146.99631	0.2
147.03061	0.3
149.06647	0.2
150.09053	0.3
152.07011	0.2
152.10637	0.2
153.05792	1.0
154.04698	0.3
155.01888	0.3
158.08125	0.2
161.02966	0.4
161.05519	0.4
161.06660	0.2
163.04398	0.3
168.10234	1.0
173.02974	0.2
187.00948	0.4
196.09698	6.2
199.00935	0.2
213.15961	0.7
227.95766	0.4
241.15477	100.0
242.15738	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.3
56.96550	1.0
57.03447	0.3
58.06603	19.5
59.06887	0.3
61.02917	0.6
63.55972	0.3
69.03428	0.4
70.06596	3.1
71.04998	0.3
71.50038	0.5
71.50436	0.4
72.08134	0.4
73.02892	0.3
81.03411	0.9
84.08150	9.4
85.02908	0.8
85.06535	0.3
95.01309	0.4
97.02879	0.4
98.06022	0.3
98.09702	1.3
98.97578	0.8
100.11270	0.4
101.00889	0.5
104.10743	1.4
109.02908	0.4
113.00898	0.3
113.96408	0.5
114.05506	0.3
116.07106	0.4
118.57446	0.3
119.01925	0.5
126.05493	0.5
126.09144	0.3
127.03936	0.3
128.10738	3.7
131.01888	0.8
132.00807	0.3
137.21315	0.3
144.10176	1.4
152.10738	0.3
153.05801	0.4
158.08096	0.3
161.03017	0.4
168.10216	0.8
185.02946	0.3
187.00911	0.4
196.09698	5.0
219.01845	0.5
241.15483	100.0
242.15805	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
54.66620	0.2
55.01867	0.3
55.05508	0.6
56.05018	0.4
56.94297	0.5
56.96571	1.4
57.03437	0.4
57.07071	0.2
58.06602	18.1
58.13645	0.2
61.02920	0.8
67.05499	0.3
69.03415	1.1
69.63227	1.6
70.06593	3.6
72.08135	0.7
72.93775	0.5
73.02907	0.5
73.06520	0.3
81.03407	1.0
84.04497	0.5
84.08146	10.4
85.02905	1.6
97.02882	0.8
98.06061	0.3
98.09689	1.6
98.97595	3.7
99.04430	0.4
100.11287	0.6
101.00930	0.6
102.10035	0.2
109.02881	0.4
110.07184	0.4
110.97545	0.4
112.07640	0.3
113.96382	0.8
114.05543	0.4
116.07102	0.4
116.98617	1.3
117.59338	0.3
119.01896	1.0
126.05498	0.3
128.10716	4.0
131.01880	0.6
132.95853	0.4
133.03468	0.3
134.05960	0.4
134.99655	0.2
137.05934	0.3
143.01874	0.8
144.10185	1.0
145.01707	0.3
145.03537	0.3
147.05792	0.4
152.07092	0.5
152.10730	0.4
154.03830	0.5
157.03537	0.3
161.02972	0.5
163.04446	0.3
164.07063	0.3
168.10234	1.4
173.02937	0.3
185.03014	0.3
191.04155	0.3
196.09685	5.1
199.00969	0.3
213.16008	0.5
219.01813	0.3
224.08395	0.3
239.39406	0.3
241.15479	100.0
242.15736	1.8
242.17976	0.2
258.99762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01865	5.3
55.05505	9.7
55.93515	2.5
56.94308	32.5
56.96299	4.8
56.96568	74.0
57.03447	16.8
58.06609	2.5
61.02930	37.4
64.06545	2.2
66.00521	2.4
66.18704	2.1
69.03432	8.2
70.06583	7.4
70.53684	7.3
70.98127	33.1
71.04984	5.6
71.95274	4.3
72.08146	8.6
72.93787	27.2
73.02929	12.5
73.03270	2.2
77.88466	2.1
81.03407	3.5
83.00800	4.2
83.04990	6.0
84.01562	2.2
84.08150	13.4
84.96035	14.6
85.02908	24.4
86.09713	7.6
88.99166	9.9
89.00764	3.7
90.94855	5.9
95.00778	2.7
97.02903	10.8
97.96931	9.7
98.97591	100.0
99.04458	10.4
99.97914	4.4
101.00885	5.8
104.96397	7.7
108.01554	3.4
109.00484	2.6
110.01294	6.1
110.07192	3.0
110.97572	24.6
111.00233	3.1
112.99147	6.2
113.00915	2.6
113.02402	2.8
113.45304	2.3
113.96413	52.8
115.00679	3.3
115.10053	2.2
116.50536	2.7
116.98625	28.9
117.01888	5.7
118.01031	7.2
118.51430	2.7
119.01871	10.0
123.00256	3.0
124.95509	10.9
124.99136	3.8
126.06652	6.4
127.00663	2.7
127.01566	2.4
127.03960	18.8
128.98631	24.3
129.10280	12.0
130.96640	2.8
131.00195	4.0
131.01894	3.4
131.97447	9.5
132.00725	11.4
133.01718	4.9
133.03462	3.5
134.99651	4.8
139.01514	6.9
139.03386	4.3
140.98674	3.7
141.01250	8.2
141.02275	2.5
142.96535	4.7
143.00197	6.7
143.01939	3.0
145.04893	4.2
145.98965	3.7
146.99675	13.8
148.02069	18.6
148.03860	26.9
150.01764	12.1
152.00507	3.2
152.98601	3.2
154.03844	3.4
154.96530	3.6
155.00191	4.8
156.98141	4.7
157.02571	40.0
157.04515	3.0
158.93774	14.8
158.99658	12.5
159.01164	2.4
161.01242	3.5
161.02908	4.4
161.04613	9.5
163.02766	3.4
165.00703	4.3
166.03166	3.5
168.98132	2.9
170.05139	7.1
170.99693	6.8
172.97623	7.2
173.01175	8.6
173.02946	2.1
174.99130	7.2
175.00797	5.6
175.02524	3.9
176.94843	3.8
177.04306	3.3
181.95399	8.6
182.01407	3.3
182.99727	4.0
184.01305	3.6
184.97672	2.9
186.99196	4.1
189.00734	6.1
189.02475	4.4
190.01338	7.9
190.96577	2.9
190.98610	4.9
191.02126	8.3
193.00220	2.2
196.09726	6.2
198.02887	3.0
201.00739	10.5
202.98627	4.4
203.02217	3.4
204.94257	2.9
205.00140	6.2
205.01859	5.5
209.94865	15.1
212.02654	3.1
214.98625	4.1
219.01796	21.4
220.99731	3.2
223.01369	3.4
226.02327	3.2
227.95894	23.1
230.98059	3.4
232.99792	5.3
237.02788	9.6
241.15500	4.3
242.03482	5.1
242.10242	4.4
242.15862	18.1
251.04210	4.1
259.99933	4.8
263.00714	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	242.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86995	2.3
54.22845	2.7
55.01872	10.1
55.93515	3.5
56.05027	2.9
56.94311	50.4
56.96571	18.0
57.03440	16.8
58.06605	13.7
59.06942	4.2
61.02925	20.8
69.03439	11.6
69.81515	5.4
69.81938	10.2
70.06595	4.8
70.98125	4.8
71.01353	7.9
71.04996	5.1
72.08124	3.2
72.93795	56.2
73.02917	9.0
74.82572	2.6
80.62103	3.2
81.03429	3.9
83.06111	22.8
84.08137	9.1
85.02898	16.0
85.08514	4.9
86.09713	4.8
87.04458	8.8
88.93257	3.4
89.02406	5.5
89.94022	3.4
90.94846	17.7
95.01354	10.1
97.02897	11.4
97.96931	7.4
98.97577	16.1
99.94920	3.0
100.02501	3.4
101.00877	9.3
101.02377	19.4
104.96406	9.8
110.97539	3.5
113.02421	6.2
113.96413	100.0
115.03934	29.0
116.98607	3.5
119.01898	12.6
122.97334	2.9
124.95464	2.9
125.01789	3.6
127.03916	3.4
127.97962	4.8
128.83830	2.8
129.01854	24.1
129.10246	4.0
130.96638	5.0
131.00264	3.3
131.01894	3.6
131.97437	27.8
132.00804	4.7
133.03497	12.3
141.01918	5.5
143.02374	3.2
143.03392	16.9
145.99046	3.1
146.03270	3.7
148.02069	5.9
148.04854	2.9
150.95670	2.8
152.07077	4.3
154.04745	19.0
154.54846	5.4
157.01337	26.3
157.02611	11.5
158.93767	19.5
159.02837	2.8
161.03085	4.1
161.04471	11.1
163.04390	3.5
171.02910	4.5
176.94847	8.3
177.03995	2.7
181.95349	14.0
185.02869	4.1
187.00955	4.7
189.03955	70.9
196.00960	8.9
196.09689	13.7
197.10019	5.5
199.96506	4.8
201.00677	4.3
204.94289	4.3
209.94833	24.5
219.01817	4.7
227.95898	47.4
242.10257	12.9
242.15814	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.01869	2.1
55.05492	1.8
55.93529	1.3
56.05034	3.5
56.94303	2.0
56.96569	82.1
57.03436	4.5
57.07052	1.4
58.06604	1.9
59.04972	1.3
60.04526	2.2
60.05684	1.5
61.02925	4.0
67.05493	2.9
68.05032	1.4
69.03432	7.9
69.07071	2.7
69.91765	3.1
69.92170	2.2
70.06599	11.4
70.95927	1.5
70.98132	3.7
71.04972	2.1
71.95274	6.5
72.08156	5.8
72.93787	3.9
73.02912	3.0
74.97646	1.8
77.80714	1.1
78.76015	1.1
81.03427	4.3
83.04998	1.9
83.06107	2.4
84.04512	23.2
84.08147	31.5
84.96039	23.7
85.02905	8.6
86.06092	1.4
86.09715	33.3
87.04471	1.5
88.96861	1.3
88.99138	2.1
90.94839	2.5
91.05502	1.5
95.04914	1.8
97.02899	8.1
97.96788	2.2
98.06065	6.5
98.97591	100.0
99.04473	2.6
99.97934	1.9
101.00875	5.6
102.05537	1.6
102.97022	2.3
104.96375	2.1
107.04963	14.6
108.05344	1.6
109.02858	2.5
110.07175	9.2
110.97582	14.0
112.07613	3.0
112.99114	2.0
113.96416	3.4
115.00726	2.0
116.07082	1.8
116.98632	42.5
119.01902	8.8
119.04948	1.6
124.99126	25.7
126.97050	1.6
127.00688	4.2
127.03866	2.5
128.02341	1.6
128.98631	12.7
129.06586	2.8
129.10222	7.5
131.00189	1.6
131.01891	3.4
132.10211	9.0
134.99669	10.9
136.06207	1.3
136.99097	12.1
137.06009	2.8
140.00159	1.5
140.02333	1.8
140.98621	3.4
141.06923	1.1
143.00180	39.9
143.01894	2.0
143.51967	1.6
144.85516	1.2
144.95854	3.6
145.01720	3.9
146.99638	3.6
147.03181	1.4
150.96964	2.0
152.54248	1.5
152.98615	14.0
154.03943	1.6
155.00168	26.7
155.04684	2.0
155.54848	1.4
156.07707	2.4
156.98155	1.5
157.01776	2.0
157.03499	2.8
157.99023	2.6
158.99675	8.5
161.01251	21.6
161.02690	2.3
161.04611	2.1
161.11366	1.2
161.54849	1.5
162.03601	2.8
164.98701	1.4
168.98123	2.9
170.99673	50.1
171.00977	2.9
171.04112	1.7
172.00452	1.5
173.01276	20.1
173.02779	2.4
174.96861	2.2
175.02756	1.8
177.00746	6.8
179.02264	2.2
181.05110	1.5
182.99638	13.9
183.01105	2.1
186.99152	5.7
187.00743	1.2
189.00728	61.5
190.95399	1.8
191.02264	1.7
197.06003	1.5
197.12932	12.0
200.97006	2.2
201.00677	35.3
201.02266	4.1
202.01590	5.1
205.00256	2.7
207.01770	7.9
212.02286	1.5
213.00719	6.0
215.13904	3.3
218.98172	5.6
219.01746	47.7
220.02408	1.3
225.00528	1.5
231.01768	12.8
236.99294	2.1
237.02847	11.6
238.03215	1.4
243.01860	5.8
243.03378	1.7
243.06447	2.1
243.10338	1.5
243.13596	2.3
243.16098	4.6
244.02650	2.4
249.02840	2.5
261.03003	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	243.0654
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01882	1.2
65.03950	2.8
68.99783	4.2
69.03435	0.6
70.06590	0.8
71.04999	0.5
72.08144	0.5
79.05521	0.6
81.03410	0.7
81.07058	0.5
84.04507	0.5
84.08147	1.5
85.02897	0.7
86.09711	1.9
91.05484	2.0
93.03407	0.4
95.04962	0.5
97.02870	0.6
102.34464	0.5
103.05501	0.5
105.07038	0.6
107.04967	7.2
109.02895	0.8
109.06535	0.5
111.04451	0.4
115.05479	1.0
117.06996	0.7
119.04977	0.4
119.08564	0.9
121.02869	18.4
129.10263	0.5
131.04947	1.8
131.08598	1.5
140.04710	0.7
141.06995	7.7
144.05707	1.1
145.06485	1.9
145.10149	0.5
147.04391	3.2
147.08069	2.8
149.02348	100.0
157.06532	0.5
159.08096	1.9
167.03397	1.5
168.05713	1.0
169.05025	0.8
169.06476	9.3
169.07732	0.6
173.06001	2.2
173.64345	0.4
181.04961	0.5
183.11858	0.4
185.06013	0.6
187.07542	2.0
197.05980	10.4
197.07707	0.8
198.06439	0.7
213.05547	0.6
215.07037	98.8
216.07346	1.9
243.06531	52.3
243.10576	1.6
244.06967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0654
Annotation	2-Hydroxy-1-methoxyxanthone
Peak:m/z	Relative Intensity
53.03936	0.4
55.01860	0.4
55.05502	0.3
56.44983	0.2
64.67847	0.2
67.05484	0.6
69.07050	0.3
71.04986	0.2
71.51363	0.3
79.05485	0.7
81.03423	2.8
81.07063	1.3
81.07459	0.2
90.04696	0.5
91.04980	0.3
91.05483	2.1
93.07022	0.5
95.04939	0.3
95.08593	0.6
103.05463	1.9
105.07046	1.1
107.04928	0.3
107.08571	0.6
109.02889	6.7
109.06477	0.4
109.10171	0.4
114.04662	0.2
115.05461	3.9
116.06261	2.9
117.06982	0.3
118.04168	1.2
119.04960	0.5
119.08566	0.6
121.10136	0.3
123.04492	0.2
126.04632	0.3
127.05442	1.2
128.05276	0.4
128.06233	7.1
129.03317	0.3
129.07031	3.4
131.04904	0.4
131.08574	0.9
132.05696	0.6
133.02844	0.7
133.06464	0.4
133.10156	0.4
137.05952	0.4
140.04700	0.4
141.07001	6.5
142.04147	1.7
143.04929	0.4
143.08574	0.8
144.05714	7.7
145.06482	2.7
145.10120	0.8
147.04442	0.4
147.08066	2.0
149.02339	0.3
153.07001	0.3
155.04898	2.9
155.06056	5.3
155.06976	0.2
155.07314	0.3
155.08495	0.5
156.05698	9.1
157.02870	3.5
157.06516	3.2
157.10129	0.6
158.07240	0.3
159.08084	1.9
159.11691	0.5
160.05185	0.5
161.02370	0.2
161.05980	0.4
165.06990	0.6
168.05710	0.2
169.05067	0.4
169.06468	1.1
169.10127	0.5
170.03641	7.4
170.05086	0.2
171.04417	3.6
171.08011	1.3
172.05208	6.8
173.05890	0.5
173.09680	0.4
173.13274	0.4
175.03899	0.7
181.04938	0.2
182.07318	0.4
183.04398	0.8
183.08049	0.9
183.11749	0.3
184.05180	0.5
185.02402	1.7
185.05968	8.0
185.13301	0.3
186.03146	0.3
186.06740	2.4
187.07573	3.1
187.11119	0.3
197.06030	0.4
197.09596	0.5
197.13263	0.3
198.03096	0.4
199.03860	0.6
199.07571	0.9
200.04695	13.2
201.05128	0.3
201.09087	0.3
204.04248	0.4
211.03796	1.2
211.07582	0.9
212.08333	0.3
213.05478	10.4
214.06091	0.4
215.03401	31.8
215.06911	1.2
216.03767	0.6
225.09129	0.5
225.16449	0.4
228.04182	5.5
228.07722	0.5
243.06540	100.0
243.10014	3.1
243.17514	2.1
243.21078	0.9
244.06898	2.0
254.84656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03939	3.4
55.01865	2.0
56.60266	1.1
61.02931	10.3
65.03939	8.1
67.05501	3.5
69.03412	2.1
69.34824	7.1
69.35233	2.4
70.06595	1.3
77.03922	1.7
79.05489	6.3
81.03409	1.6
81.07056	3.9
82.04194	3.7
84.08126	1.1
85.02898	3.9
91.05495	13.4
93.03392	1.9
94.04185	1.7
95.01347	2.3
95.04982	12.5
97.02886	1.9
97.06528	2.8
105.03371	3.0
107.04980	7.3
109.06529	13.3
110.03660	4.4
111.04430	1.5
119.04942	6.0
121.02917	2.4
121.06504	1.5
123.04438	15.8
125.02377	5.8
125.06007	2.8
133.02878	10.2
135.04417	4.0
137.05991	21.9
138.03082	2.1
140.04692	100.0
142.02643	2.7
147.04424	7.7
149.02333	6.2
149.14459	1.1
152.04686	2.4
153.05460	5.1
154.06207	1.2
155.07042	82.5
163.03879	3.1
164.04575	1.3
165.05496	16.3
167.07024	2.6
171.06517	2.7
173.08212	2.0
179.07065	9.3
180.04204	15.0
181.04967	77.8
183.06572	2.8
192.04092	1.5
193.04976	24.9
195.05319	1.0
195.06595	11.3
196.07115	1.5
197.06111	2.2
197.08093	9.1
207.06544	24.2
215.07068	5.2
225.07581	19.8
231.05206	2.4
243.06456	3.2
243.08670	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	243.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01868	0.9
56.05033	4.3
56.96566	5.2
57.03462	0.6
59.86258	0.5
60.05633	0.7
61.02925	3.6
65.03941	3.0
67.05492	1.5
68.05044	0.6
69.03431	2.4
69.07072	5.2
69.71516	1.1
69.71923	2.6
70.06594	6.0
71.04994	0.5
72.08154	1.3
72.93787	1.4
73.02930	1.3
79.05492	1.5
81.03406	1.5
81.07063	1.9
82.04187	0.7
83.04966	0.6
83.06102	3.2
84.04510	83.8
84.06441	1.9
84.08146	5.5
84.96058	1.2
85.02910	2.7
86.09711	100.0
90.94820	1.0
91.05486	5.5
93.03384	0.7
95.04984	4.8
97.02896	1.7
97.06525	0.9
98.06055	1.8
98.97575	4.9
99.04449	1.4
102.05556	0.6
104.96407	1.1
105.03398	1.1
107.04980	3.6
108.02091	0.6
109.02840	0.8
109.04032	0.6
109.06512	4.7
110.02412	0.5
110.03667	1.3
110.07156	1.3
110.97565	0.9
112.07613	0.9
113.07147	1.3
113.96407	1.1
116.07090	1.5
116.98605	1.6
117.05519	2.0
119.04925	3.0
121.02851	1.4
121.06549	0.8
123.04461	5.0
125.02354	2.8
125.05998	0.7
127.04124	0.9
127.05046	6.4
127.97958	1.0
128.98599	1.1
129.06598	7.7
129.10252	1.1
132.04483	1.5
132.10216	37.1
132.95831	0.6
133.02866	4.3
135.04430	1.2
137.05984	7.9
140.04691	31.1
141.06590	3.0
141.99536	0.6
142.02538	0.7
143.00162	2.2
145.99059	1.1
147.04491	2.8
149.02339	4.8
152.04681	0.8
152.10750	1.1
153.05476	1.1
155.07034	26.3
158.99701	1.0
161.01245	2.1
162.05486	1.2
163.03868	1.0
165.01834	0.8
165.05507	6.1
167.07066	1.2
169.06462	1.2
171.06526	0.8
173.01190	0.6
173.08139	1.1
173.98473	0.7
175.11957	0.7
179.07060	3.4
180.04170	5.1
181.04967	23.6
183.06548	1.2
186.99144	1.3
187.07591	0.9
189.00720	0.6
192.98015	1.1
193.04958	7.6
195.06543	3.8
197.04185	0.7
197.06042	2.0
197.08076	3.0
197.12874	36.7
198.11282	0.6
201.00673	1.9
201.04134	0.6
202.01671	2.5
207.06529	6.9
213.00810	0.9
215.07074	4.5
215.13948	0.8
219.01810	1.7
225.07582	6.4
225.12404	1.7
237.02859	0.9
239.99403	0.5
243.04616	2.3
243.06520	2.9
243.08592	2.0
243.10551	1.4
243.13339	8.4
243.15431	1.5
243.18126	1.6
243.20599	0.5
244.02699	1.0
251.31955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0976
Annotation	Thymidine
Peak:m/z	Relative Intensity
50.29714	0.6
51.06778	0.5
53.03953	1.4
55.01881	1.3
56.05042	5.3
56.94307	0.7
56.96570	8.5
57.03437	1.0
60.04512	0.6
61.02928	3.7
65.03934	2.8
67.05508	2.2
68.99780	0.7
69.03437	2.6
69.07073	4.7
70.06590	4.9
71.01369	0.7
71.04984	1.4
71.49803	0.7
71.50246	1.0
71.95261	0.6
72.08169	2.4
72.93790	1.0
73.02921	2.3
74.44981	0.5
78.29688	0.5
79.05500	3.1
80.04971	0.5
81.03423	2.4
81.07082	1.8
82.04202	1.3
83.05010	0.8
83.06103	6.2
84.04510	88.4
84.06441	2.6
84.08144	8.3
84.96046	1.6
85.02908	4.2
86.09711	100.0
86.95367	0.6
90.94868	0.8
91.05486	5.8
94.04202	0.9
95.01353	1.0
95.04959	4.6
97.02908	2.6
97.06525	0.9
98.06061	3.4
98.97590	8.3
99.04464	2.6
100.07616	0.7
102.05585	0.8
104.96376	1.8
105.03394	1.5
107.04965	4.9
109.02903	1.2
109.04065	0.6
109.06519	3.8
110.02404	1.7
110.03644	2.1
110.07175	1.8
110.97598	1.8
111.04440	0.7
112.07622	1.2
115.05407	0.7
116.07137	0.6
116.98640	4.5
117.05522	3.4
119.04965	2.3
121.02888	0.7
121.06547	0.9
123.04444	5.4
124.99138	1.9
125.02373	3.0
125.06024	1.4
127.04073	1.3
127.05042	17.4
127.97951	1.2
128.98628	1.4
129.06601	9.0
129.10278	1.8
130.08647	0.5
132.04422	0.9
132.10216	38.7
133.02867	3.8
134.99677	1.2
135.04416	2.0
137.05978	7.9
138.03133	0.7
140.04686	37.5
141.06541	3.4
142.02594	1.3
143.00174	2.6
145.99010	1.4
147.04408	3.4
149.02354	4.7
152.04720	1.1
153.05524	1.3
155.00162	0.7
155.07045	29.0
155.97418	0.9
156.07394	0.7
157.99080	1.0
158.99675	1.1
161.01253	1.8
162.05412	1.1
162.96902	0.8
163.03922	1.5
165.01826	1.4
165.05489	6.3
165.06750	0.9
167.07083	1.1
169.06413	0.8
169.13341	0.6
171.06563	0.9
173.01218	1.0
173.08165	1.2
176.00139	0.6
177.00679	0.6
179.07042	3.9
180.04184	6.2
181.04973	24.6
183.06520	2.0
185.98447	0.8
186.99226	1.6
189.00764	1.0
192.98135	0.7
193.04961	8.3
195.06532	3.8
197.05992	3.0
197.08052	2.6
197.12860	41.3
198.11203	0.9
198.13168	1.0
201.00647	2.0
201.02132	1.5
201.04047	1.3
202.01642	1.6
207.06543	7.4
213.00764	1.0
215.07042	4.8
218.98067	1.3
219.01468	3.1
225.03850	1.3
225.07558	5.6
225.12411	1.6
237.02884	0.8
242.99268	0.7
243.04503	3.6
243.06769	3.4
243.08554	2.1
243.10396	1.9
243.13376	7.6
243.15410	2.8
243.17805	1.2
243.20491	0.6
244.02582	1.5
244.11829	1.3
254.00908	0.8
257.03281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1018
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
52.05544	0.4
52.45266	0.4
55.01867	0.9
55.05506	0.8
57.07066	0.6
65.03915	0.4
67.05494	1.3
69.07077	0.5
70.06594	0.4
79.05469	0.4
81.07054	2.3
84.08160	0.5
85.02888	0.6
91.05482	1.6
93.07011	0.6
98.21009	2.0
101.49150	0.4
105.07005	1.0
107.04955	0.9
107.08587	0.5
117.07037	0.6
119.08572	0.7
121.02867	0.5
123.04428	0.4
123.11732	0.4
128.06250	0.5
129.07019	1.5
131.08537	0.5
133.10094	0.5
137.05945	0.6
139.12773	0.5
140.04681	1.7
141.05432	0.6
141.07005	2.4
142.07759	0.6
143.08539	0.7
144.05698	0.5
145.06490	1.4
145.10167	0.8
147.08049	0.6
149.02351	1.5
152.06248	0.8
153.07013	3.7
154.07787	2.2
155.07147	0.8
155.08557	3.4
157.06476	0.5
157.10085	0.7
159.08054	0.8
159.11679	0.6
165.07021	14.6
166.07748	1.6
167.08600	3.5
168.05719	1.5
169.06468	1.3
169.10110	1.0
171.08046	0.7
177.07088	0.6
178.07811	0.9
179.08591	1.6
181.04918	1.4
181.06496	5.8
182.07289	9.3
183.08070	12.7
183.11606	0.8
185.06065	0.9
185.09683	0.7
185.13263	0.6
187.07497	0.7
193.04999	0.5
193.06523	1.7
194.07341	1.5
195.08147	2.4
196.08755	0.5
197.06001	2.3
197.09621	12.0
199.07597	1.4
200.08290	1.7
201.09221	0.6
210.06769	7.7
211.05536	0.9
211.07555	19.0
212.08331	11.9
213.05473	2.5
213.09105	0.9
214.06299	0.9
215.07245	1.9
215.10667	4.0
225.09114	13.6
226.06284	0.9
226.09822	0.7
227.07036	1.4
228.04301	0.5
228.07826	10.4
229.08575	1.2
239.07050	0.9
241.08620	0.7
243.10191	100.0
244.10571	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1018
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
55.01871	1.2
55.05508	0.6
56.96548	0.4
57.03457	0.5
65.71027	0.4
66.78693	0.4
67.05498	1.2
68.27749	0.4
69.07073	0.5
70.84042	0.7
71.04987	0.4
72.08305	0.4
79.05501	0.5
80.05848	0.4
81.07059	2.4
91.05467	1.0
95.08611	0.5
98.21147	0.6
98.97563	0.7
105.07015	0.8
109.06501	0.6
110.97616	0.5
115.05465	0.7
117.06864	0.4
123.11662	0.7
127.80116	0.4
128.06181	0.4
133.10123	0.7
141.07016	2.0
143.08543	0.4
145.06519	1.9
145.10100	0.6
152.06261	1.0
153.07019	3.2
154.07790	2.1
155.08553	3.1
157.06523	1.3
159.08090	0.5
165.07021	13.9
166.07730	1.5
167.08592	4.0
168.05754	1.1
169.06474	1.5
169.10179	0.9
170.15376	0.4
173.13315	0.4
177.07001	0.4
178.07736	0.7
179.08582	1.5
181.06491	5.7
182.07277	7.5
183.08086	12.4
183.11681	0.5
185.06030	0.6
185.09618	0.6
185.13310	0.4
186.06769	0.4
187.07561	0.6
193.06435	1.5
193.07886	0.5
194.07292	1.8
195.08113	1.9
196.08794	0.4
197.06006	2.1
197.09636	11.2
198.06807	0.5
199.07506	0.9
200.08327	1.8
201.01076	0.4
201.09047	0.6
201.65811	0.4
207.08093	0.5
209.05994	0.6
210.06746	8.7
211.07552	20.2
212.08319	12.0
213.05536	2.8
213.08919	1.0
215.06984	0.8
215.10681	3.0
225.05560	0.9
225.09125	11.8
226.06226	0.6
226.09589	0.5
227.07062	1.7
228.07719	15.3
229.08676	1.3
231.05942	1.5
231.56111	0.5
239.06897	0.5
241.08606	1.6
242.09291	0.6
243.10156	100.0
244.10464	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1019
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
50.35212	0.3
53.84305	0.3
55.01874	2.5
55.05508	0.7
57.03441	0.4
57.07066	0.4
65.03938	0.4
67.05515	2.2
68.99798	0.3
69.07055	0.6
70.06588	0.3
71.51070	0.3
79.05502	0.4
81.03430	0.7
81.07059	3.4
85.06553	0.6
91.05509	1.5
93.03413	0.3
93.07043	0.7
95.04958	0.5
95.08601	0.9
105.07024	1.0
107.04951	0.4
107.08632	0.4
109.02875	1.3
109.10157	0.7
115.05460	0.6
117.07002	0.5
119.04930	0.7
119.08575	0.9
121.06510	0.4
121.10149	0.6
123.04413	0.5
123.11722	0.5
128.06226	0.7
129.06990	0.7
131.04912	0.3
131.08559	0.8
133.10118	0.6
137.05962	0.5
139.03894	6.5
140.04720	0.4
141.06985	1.0
142.07777	0.4
143.08508	0.8
145.06496	0.3
145.10095	0.9
149.02313	0.9
149.05934	0.5
153.06973	0.8
154.07919	0.3
155.04887	0.5
155.06998	0.5
155.08540	0.6
156.05612	0.4
157.06487	1.0
158.07327	0.4
159.08090	0.7
159.11707	0.7
165.05775	0.3
165.06963	1.7
167.08543	0.5
168.05745	0.6
169.05087	0.6
169.06511	1.8
169.10143	0.7
170.07285	3.1
171.04362	0.4
171.08040	3.2
171.11670	0.4
172.05177	0.4
173.09673	0.8
173.13277	0.7
181.05081	0.5
181.06537	0.5
182.07286	2.4
183.08063	1.9
183.11671	0.3
184.08861	0.5
185.05988	9.3
185.09567	0.6
186.06784	3.6
186.43576	0.3
187.07495	0.4
187.14867	0.5
195.08102	0.5
195.12006	0.4
196.05302	0.5
197.05980	3.2
197.09659	0.7
198.06557	0.3
199.07536	0.6
200.08347	3.1
201.09111	10.9
201.16406	0.3
204.52792	0.3
210.06767	3.0
211.07545	2.8
212.08331	6.4
213.05476	10.3
213.08929	0.6
215.07088	0.9
215.10661	2.7
225.09027	1.5
227.06992	1.0
228.07820	24.3
229.08235	0.9
243.10178	100.0
243.20988	1.4
244.10529	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1017
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
52.38692	0.5
53.03928	0.7
55.01875	0.8
56.28138	0.5
57.07066	0.7
58.90607	0.4
69.91373	2.4
71.08618	0.5
77.74075	0.4
81.03419	4.7
81.07048	0.7
91.05485	2.8
109.02885	13.6
117.07027	0.6
121.06509	0.8
129.07008	0.6
141.06982	1.9
145.06587	0.8
146.85109	0.5
147.08075	2.9
149.06018	0.8
152.06174	1.2
153.07013	1.5
154.07785	4.2
155.08594	2.9
157.06483	0.9
157.10185	0.7
159.08023	1.0
165.05634	0.9
165.06992	12.4
166.07761	2.1
167.08566	7.8
168.05774	1.3
169.06493	0.9
169.10135	1.9
177.07005	0.5
178.07808	0.8
179.08519	1.4
181.06520	3.6
182.07281	8.0
183.08069	11.3
185.05957	0.8
193.07716	0.7
194.07263	1.7
195.08122	1.5
197.06007	1.8
197.09634	21.1
199.07541	0.6
200.08342	1.1
201.09108	1.4
202.09085	0.5
210.06773	7.5
211.05551	1.1
211.07538	18.3
211.13368	0.5
212.08325	7.2
213.05544	2.2
215.10651	3.0
225.09131	19.4
226.09758	0.7
227.07068	1.0
228.07835	8.9
229.08588	0.6
241.08607	0.9
243.10184	100.0
243.28763	1.0
244.10573	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1018
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.83959	0.3
55.01862	1.0
60.34390	0.3
66.28522	0.3
69.07058	0.4
69.30236	2.3
81.03422	0.7
81.07053	0.4
85.02908	0.3
91.05482	0.4
94.46278	0.2
95.08586	0.3
98.21540	0.5
105.07025	0.3
107.04958	0.8
109.02895	2.3
109.90305	0.3
115.72036	0.3
119.04974	0.3
121.06490	0.4
128.06241	0.3
129.07007	0.4
137.05972	0.3
141.06999	2.1
144.05725	0.3
145.06514	1.8
145.10222	0.4
147.08073	0.3
149.06038	0.5
152.06238	0.9
153.06989	2.6
154.07780	1.9
155.08577	2.9
157.06471	1.3
158.07292	0.3
159.08080	0.5
165.07019	12.7
166.07764	1.4
167.08566	3.1
168.05753	0.8
169.06480	1.1
169.10144	0.9
171.08020	0.3
176.06146	0.3
177.07047	0.7
178.07732	0.6
179.08589	1.5
181.06506	5.1
182.07272	7.7
183.08081	11.8
184.08656	0.3
185.05960	0.7
187.07526	0.7
193.06364	1.5
194.07234	1.3
195.08075	2.2
196.08804	0.8
197.05968	1.4
197.09637	10.3
198.06717	0.4
199.07535	1.0
200.08417	1.8
207.08058	0.6
209.05943	0.6
210.06786	7.8
211.07556	18.5
212.08333	12.0
213.05507	2.7
213.09026	0.8
214.06310	0.4
215.07101	0.4
215.10777	3.3
223.07558	0.4
225.09119	15.0
225.16377	0.3
226.06253	0.7
226.09689	0.8
227.07047	1.4
228.07747	12.7
229.08597	1.3
239.07095	0.5
241.08614	1.5
242.05731	0.6
243.10175	100.0
244.10529	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28447	0.4
53.03944	0.6
56.05043	4.5
56.96565	1.5
57.00004	0.4
60.05649	0.7
65.03947	0.6
66.03661	0.4
67.05502	0.8
69.03441	0.8
69.07072	4.7
69.83656	0.7
69.84064	1.3
70.06599	4.0
72.08156	1.8
72.93803	0.4
79.05491	0.9
81.03446	0.8
81.07053	0.6
83.06115	1.6
84.04510	83.5
84.08144	3.9
84.74317	0.4
84.96019	0.6
85.02907	0.8
85.04867	0.5
86.09711	100.0
87.10048	0.8
91.05480	1.3
96.04535	0.5
97.02889	1.0
98.97583	2.2
100.07637	0.6
102.05560	0.6
107.04961	1.6
110.07172	0.8
110.97617	0.5
113.07159	1.1
116.07135	1.1
116.98647	0.8
119.04992	0.8
121.02843	0.5
123.04396	0.7
125.02336	0.5
125.05976	0.5
129.06607	10.3
129.10271	1.3
132.10214	38.8
137.05972	1.0
139.03882	0.5
140.04701	3.8
141.06552	2.3
143.00183	1.0
147.04457	0.6
149.02380	0.8
151.04036	0.5
152.10779	0.8
155.07053	3.3
155.08157	0.6
158.09329	0.6
161.01219	0.8
162.05394	0.6
165.05481	1.2
168.98083	0.4
169.06528	0.5
169.13377	0.8
170.99715	0.8
180.04199	1.0
181.04980	2.8
182.99741	0.7
189.00691	0.4
193.04915	0.7
195.06581	0.6
197.05997	1.9
197.12869	42.2
201.00749	1.5
207.06573	1.3
209.13947	0.5
215.07011	2.3
215.13983	1.5
219.01807	1.1
225.07526	0.9
225.12428	1.4
243.06619	1.5
243.10757	0.7
243.13371	7.0
243.18237	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.9892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	5.5
71.41345	3.3
71.41695	7.1
72.08134	4.1
75.65950	3.3
76.56472	3.3
76.65143	3.5
80.33765	3.4
82.99855	4.7
84.08161	18.8
86.76197	3.7
96.92193	5.5
97.02882	4.2
98.97579	11.7
101.00887	26.1
103.00634	3.4
104.10746	7.7
112.88851	6.0
112.89616	100.0
114.89314	5.9
116.91145	3.3
119.01933	45.0
120.01984	4.4
121.01698	7.7
131.01886	4.2
137.02962	4.8
143.01755	4.3
145.03461	6.2
154.04642	6.2
157.03505	6.1
160.00066	4.0
161.02992	10.7
178.01007	16.6
185.02960	6.2
188.33632	3.4
195.23828	3.6
202.01036	4.1
220.02127	15.6
220.97409	5.1
221.01808	13.2
221.05092	11.1
238.98376	73.6
239.06094	5.5
242.29039	3.5
244.02020	17.9
256.99600	4.0
262.00378	7.0
262.03214	69.3
262.07608	4.1
263.02948	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	244.0343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
55.05506	3.4
56.05019	2.3
56.96306	2.5
56.96568	49.0
57.03437	22.5
61.02932	67.9
68.04991	1.8
69.03418	8.0
70.06599	23.1
70.98131	12.0
71.95264	4.9
72.08164	19.4
72.93790	3.3
73.02909	6.7
81.03424	3.3
82.01794	2.6
82.99828	1.6
83.06111	2.6
84.04484	5.8
84.08150	100.0
84.96023	6.5
85.02905	24.8
86.09689	2.7
88.99156	2.8
89.00783	7.7
92.07986	1.7
97.00511	2.4
97.02895	7.4
97.92371	1.8
98.01286	5.1
98.06042	8.6
98.97586	37.9
100.99137	3.5
101.00885	13.1
101.10758	5.6
101.99729	2.8
109.00533	3.9
109.02895	2.9
110.01268	2.6
110.97536	4.8
111.00253	4.7
112.05100	85.5
112.05888	4.3
112.07610	2.2
112.99121	2.8
113.00835	4.0
113.02361	8.2
113.96342	3.7
115.02457	2.3
116.07085	10.7
116.98645	13.8
118.01030	7.8
119.01902	17.4
119.03489	1.8
120.00757	3.9
122.97436	1.8
123.00247	5.3
123.02750	1.9
124.95473	12.3
124.99940	3.5
126.00800	1.6
126.02498	2.6
126.98730	1.8
127.02406	2.8
127.03909	6.7
128.98582	7.8
129.10229	8.9
131.00186	4.2
131.01871	5.8
132.00745	8.4
132.95808	2.8
133.01619	3.5
133.03432	6.0
134.00514	1.9
134.99629	5.0
139.04173	3.2
141.01274	36.4
141.03087	5.6
141.04793	5.1
142.96510	8.5
143.01915	6.0
145.03423	3.8
146.99622	6.7
147.11281	5.9
148.04793	1.8
149.01193	3.1
150.01807	50.1
150.03648	2.4
152.00446	2.5
152.52055	1.9
152.94934	3.0
153.01291	2.8
154.03680	2.1
154.04747	7.4
155.01872	7.8
156.98077	6.6
157.03539	2.4
157.98965	2.8
158.08165	4.3
158.99603	3.7
159.01164	2.4
159.02361	3.0
160.97598	4.6
161.01044	5.1
161.03001	5.5
163.02832	1.8
163.04376	6.4
166.00275	5.7
167.01987	2.5
168.01862	5.2
170.01376	2.2
170.96013	8.1
170.99724	2.2
172.00560	2.0
172.97565	5.8
173.02959	6.4
173.98553	2.5
174.01837	3.1
174.96924	2.2
174.99132	14.1
175.00752	13.9
177.00764	2.6
177.02217	2.5
179.02080	2.1
180.53586	1.8
182.01457	5.1
184.01318	10.6
184.97739	2.4
185.02986	11.0
186.99167	4.4
187.04515	2.7
188.97083	18.0
189.00591	4.2
190.98531	3.2
191.02095	8.7
191.03825	3.4
193.00230	5.9
196.01323	7.7
197.02887	2.8
200.12233	2.5
202.01622	4.6
202.98633	5.7
203.02271	2.9
203.03925	3.9
205.00191	3.3
205.01837	12.6
205.03625	4.1
205.05583	3.5
206.98103	6.2
207.01625	2.6
214.98584	2.5
217.00253	3.4
219.01715	5.0
220.99666	6.8
221.05086	4.4
226.02292	7.0
226.15591	3.3
227.13913	5.1
230.98117	3.7
232.99649	3.8
235.03026	2.2
237.02766	3.5
244.07945	6.2
244.16559	22.1
244.99655	3.2
245.05066	3.2
248.99440	2.2
260.99213	3.2
263.00769	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	244.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20530	0.5
55.03088	0.6
56.96569	70.2
57.03445	0.7
61.02902	1.0
68.96576	0.7
68.98309	0.7
69.03434	1.5
69.07072	1.4
70.02962	0.6
70.06598	2.1
70.74461	1.1
70.98125	15.4
71.04989	0.7
71.95270	19.0
72.08143	1.8
72.96048	7.5
73.02934	0.7
74.97597	1.0
81.03427	1.8
82.99868	1.9
84.08145	5.0
84.96037	6.0
85.02914	1.6
86.09711	10.3
88.99184	3.2
88.99673	0.6
97.02895	1.9
97.96802	0.9
97.99198	1.1
98.97590	100.0
99.97941	0.5
101.00892	13.3
102.96954	0.7
108.21940	0.5
109.02885	0.6
110.97602	2.7
112.05112	0.8
112.99174	2.9
113.00862	2.2
113.03515	4.2
115.00710	1.2
115.02425	1.9
115.96126	0.5
116.98631	33.9
119.01932	14.5
124.95485	21.3
124.99149	1.5
126.97048	1.1
127.00693	0.9
127.02429	1.4
127.03920	0.8
128.98615	4.3
129.10255	0.8
131.00183	3.5
131.01869	3.5
131.96162	2.6
132.95828	1.1
133.01797	0.9
133.03497	1.7
133.04994	0.8
134.99675	8.5
137.02948	1.4
139.02481	0.8
140.00270	1.0
140.98579	1.1
142.96530	16.2
143.00180	2.4
143.01913	12.1
144.98112	1.3
145.01747	1.2
145.03477	3.1
146.99646	5.0
149.01257	2.0
149.97244	1.0
152.94968	8.0
154.96649	0.7
155.01897	3.4
156.98116	2.6
157.01736	0.8
157.02307	0.6
157.03471	4.4
158.08218	1.0
158.99715	1.1
160.97620	3.1
161.01527	1.1
161.02962	18.4
165.00745	1.5
167.01888	1.6
168.99278	0.8
169.03479	1.2
170.96027	33.2
171.04970	0.8
172.97583	1.0
173.01324	1.7
173.03015	3.3
174.99165	11.2
175.03047	0.7
175.04572	2.3
179.02013	1.0
184.97600	9.1
185.01357	1.2
185.03021	6.2
186.99057	0.9
187.00497	0.6
187.04570	2.5
188.97081	52.9
189.00740	2.2
190.98680	1.5
193.00217	6.1
197.03043	2.5
199.04469	1.7
200.03749	1.0
202.98642	19.0
203.00542	1.1
203.02263	1.3
203.04073	5.0
206.98148	14.6
207.01871	1.1
212.97156	1.8
214.98625	0.8
215.04097	1.1
217.00229	1.3
217.05399	2.0
220.99709	11.0
221.05190	1.2
227.03986	1.2
227.13911	0.8
230.98117	6.8
235.01385	0.9
239.00841	1.1
244.16803	0.7
245.05038	15.2
248.99312	1.8
263.03140	1.1
263.06171	2.6
263.08975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.9
58.99835	0.5
64.54940	0.4
68.98301	1.1
69.03405	1.7
70.06168	2.3
70.99839	0.6
76.99376	0.5
81.03452	1.2
82.77195	0.5
82.99845	4.3
85.01397	0.8
86.99342	1.4
97.01403	0.8
97.02901	4.7
98.97573	2.2
99.04459	0.8
99.37283	0.5
100.00153	0.6
101.00892	34.3
102.00934	1.2
102.96866	3.5
103.00643	4.4
103.02444	0.9
109.02853	0.8
113.00870	4.5
115.02431	1.9
116.98611	1.5
119.01932	44.7
120.02010	1.9
120.97900	1.4
121.01669	4.9
121.06518	0.5
125.00826	0.7
127.02448	2.8
127.03918	1.1
129.00339	0.9
129.03941	0.9
131.01933	7.4
131.05571	0.8
133.03476	1.4
136.99738	0.8
137.00824	0.8
137.02988	4.3
139.02423	2.3
142.03485	0.7
142.98601	1.7
143.01912	26.1
144.02119	0.6
145.03461	8.8
147.01389	1.6
147.05070	0.5
155.01886	4.7
157.03479	12.9
158.99956	0.7
159.01428	0.6
159.05003	0.7
160.99709	4.9
161.02971	58.0
162.03041	0.9
163.04520	1.0
167.01904	2.1
169.03485	2.2
173.02960	8.5
174.03139	0.6
175.04562	5.5
177.00938	1.7
178.01042	1.1
179.00708	20.4
179.03976	1.1
184.04594	1.3
184.99678	0.6
185.01364	1.1
185.02979	15.2
187.04514	5.4
189.06107	0.9
191.04001	2.5
197.02975	5.5
199.00848	0.8
199.04572	3.0
203.00784	3.7
203.02304	1.1
203.03996	12.8
215.03978	3.7
217.05667	3.1
219.01973	1.9
219.03894	3.7
220.02019	0.7
221.01779	28.1
221.05197	2.0
222.01956	1.5
227.00809	2.0
227.03999	3.5
233.05087	0.6
239.98579	0.6
245.01872	12.5
245.05083	41.5
245.12193	3.2
246.05183	1.1
261.03329	0.5
263.02893	100.0
263.06033	5.3
264.02902	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	245.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01866	1.7
56.96569	75.7
57.03432	1.9
58.89277	1.4
58.99868	2.5
61.02913	6.0
62.00185	1.4
68.98290	3.2
69.03442	10.5
69.07051	2.1
69.64531	8.2
70.06580	5.2
70.98127	23.8
70.99857	2.5
71.94882	1.8
71.95263	18.1
72.08131	4.1
72.93810	1.4
72.96040	6.6
73.02903	5.0
80.68761	1.4
81.03425	8.0
82.99851	12.0
84.04521	2.2
84.08150	17.8
84.96040	9.1
85.01403	1.4
85.02907	12.0
85.08459	1.7
86.09711	49.0
86.99319	3.8
88.99146	6.2
89.00876	2.5
90.80139	1.3
90.93819	1.6
92.30413	1.4
94.84080	1.4
97.01382	1.9
97.02895	11.6
98.06020	2.3
98.97591	89.5
99.04428	2.3
99.06385	1.8
100.00094	2.0
100.92095	1.3
101.00890	94.3
103.00642	2.0
103.02453	3.0
107.04950	2.2
109.01366	1.3
109.02892	7.1
110.97553	2.4
111.02909	1.5
111.04482	1.3
112.05067	1.9
112.99111	2.9
113.00884	15.7
113.02384	3.0
113.05466	2.4
115.00661	3.4
115.02444	8.8
115.72522	1.5
116.98627	35.8
117.02229	1.4
119.01932	97.1
120.02000	2.0
121.01669	4.0
124.02480	1.7
124.95494	17.6
124.99073	2.0
127.02427	9.6
127.03910	4.1
128.98607	7.1
129.00307	2.5
129.03961	3.8
129.10243	5.6
131.00166	3.2
131.01912	24.3
131.96146	4.1
132.95807	6.7
133.01727	3.5
133.03485	9.3
134.99693	9.5
137.00819	4.3
137.02963	7.7
139.02414	5.5
140.98564	1.6
142.96523	14.2
143.00211	2.8
143.01913	60.0
144.01929	1.4
144.95872	1.7
144.98061	2.2
145.01700	3.3
145.03468	32.4
146.99629	4.8
147.01392	3.9
149.01221	2.2
149.02982	2.4
151.03897	3.0
152.94939	5.5
153.00594	2.6
153.03775	3.6
154.04774	1.4
155.01901	24.5
156.02715	1.8
156.98106	2.9
157.02217	2.7
157.03467	33.2
157.54314	1.8
158.99557	2.8
159.01460	3.1
159.05002	3.0
160.97562	4.7
161.02971	100.0
163.04564	3.2
167.01944	9.2
169.03465	7.3
170.96028	25.3
171.01355	2.4
171.05011	5.8
172.97585	2.5
173.02969	28.7
174.99161	11.2
175.03069	2.2
175.04524	15.1
177.02521	1.8
179.01923	5.9
179.03976	2.5
184.04486	2.3
184.97627	8.5
185.02965	54.1
186.03261	2.5
187.04538	16.6
188.97089	54.4
189.00703	3.6
189.02409	1.7
189.06146	2.5
190.98596	3.4
191.02425	1.8
191.04007	4.5
193.00214	7.3
197.02974	25.1
199.04494	8.0
200.03624	9.4
202.98634	16.4
203.00406	3.8
203.02133	3.7
203.03984	30.4
206.98174	17.0
207.01576	1.8
215.04034	11.4
217.05499	8.1
218.04712	5.5
220.99765	9.8
221.05078	9.6
227.04008	7.0
227.07469	2.3
230.98082	4.4
233.05199	2.2
234.99101	1.8
245.05055	99.6
245.08325	7.0
245.12221	2.5
246.04164	8.1
248.99008	2.4
263.03015	9.9
263.06097	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	245.1173
Annotation	Methoxyaucuparin
Peak:m/z	Relative Intensity
53.03931	0.2
55.01867	1.2
55.05502	0.2
56.52196	0.2
62.26803	0.2
63.48563	0.2
67.05495	0.3
69.03434	1.2
70.06563	0.3
71.51395	0.3
77.03933	0.2
79.05476	0.7
80.70758	0.2
81.03412	0.7
85.02879	0.4
85.07782	0.2
90.86531	0.2
91.05491	1.2
93.07045	0.7
97.10154	0.4
103.05465	0.5
105.07033	3.0
107.04935	0.5
107.08596	0.3
109.02895	0.2
117.07021	0.3
119.08556	0.4
120.63214	0.3
121.06499	1.4
128.06212	0.4
129.06998	0.5
131.08551	0.3
137.05969	0.5
141.06964	0.3
143.08556	0.4
145.10072	0.2
151.07568	1.0
153.06960	0.3
155.08551	0.2
157.06432	0.4
157.10149	0.3
158.07266	0.2
159.08090	0.5
161.05991	3.3
161.13223	0.3
162.06755	0.4
165.07114	0.2
167.07080	0.3
169.06480	1.3
170.07292	0.3
171.08052	0.6
171.11726	0.2
174.06750	0.9
174.10362	0.3
175.07545	1.4
176.08365	0.8
177.09125	0.3
181.06445	0.5
183.08191	0.3
184.08891	0.5
185.05956	0.3
185.09602	0.5
185.13303	0.4
186.06750	0.4
186.10384	0.3
187.07561	5.4
188.08337	1.0
189.09117	0.8
195.08005	0.4
196.08853	0.7
197.06012	1.9
198.06705	0.3
199.07535	0.6
201.05455	0.2
201.09103	1.8
202.06233	0.2
202.09879	3.2
203.10638	0.4
212.08311	2.2
213.09087	2.1
214.09865	0.3
215.07028	3.0
217.08554	0.4
217.12279	0.6
227.10648	0.5
229.08653	1.9
230.09384	12.3
231.09863	0.2
245.11734	100.0
246.12100	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1173
Annotation	Stilbostemin C
Peak:m/z	Relative Intensity
51.02389	0.6
53.03951	5.4
55.01878	1.8
55.05498	0.7
63.06254	0.7
65.03956	0.8
67.05519	1.1
69.03426	0.9
71.28182	1.1
77.03929	1.8
79.05490	2.5
81.03418	1.6
81.07063	1.9
83.04980	0.7
86.09711	2.9
91.05486	21.5
93.07049	24.0
94.06623	0.6
95.04983	4.8
97.02892	0.8
103.05473	19.6
103.95786	0.7
105.04530	2.1
105.07030	1.2
107.04958	18.8
108.05737	3.2
109.06520	2.7
118.04137	1.3
119.04989	3.7
119.08564	1.4
121.06510	100.0
122.03479	0.7
122.06035	1.6
122.06833	1.5
123.04446	0.8
123.08056	5.8
125.06003	1.3
128.06198	0.7
129.07007	0.9
133.06506	4.5
136.05196	4.4
137.05983	50.2
138.06802	3.8
139.07530	1.4
143.08582	1.0
151.07549	55.2
152.07874	1.1
157.06459	1.8
157.10112	1.2
159.11635	0.8
185.05989	0.8
185.09599	0.9
189.09201	0.9
195.08008	0.9
213.09109	2.5
227.10612	1.8
240.48120	0.7
245.08154	4.2
245.11748	50.8
245.15533	1.3
245.18965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1176
Annotation	Batatasin IV
Peak:m/z	Relative Intensity
50.88383	0.4
51.02370	1.0
53.03951	4.0
54.77274	0.4
55.01875	2.4
55.05516	0.7
62.98127	0.5
65.03945	0.7
67.05501	0.8
68.99779	0.6
69.03428	1.0
70.06591	0.7
70.75602	1.5
77.03925	1.0
79.05489	3.6
81.03409	1.6
81.07051	1.9
83.04999	0.5
83.30462	0.5
84.08149	0.5
86.09698	1.0
91.04908	0.8
91.05486	23.1
93.07049	25.5
95.04981	5.2
95.08616	0.9
103.05477	21.2
105.04534	2.5
105.07014	2.2
107.04966	18.0
107.08591	0.7
108.05759	2.0
109.06518	2.4
114.05481	0.5
117.06981	0.6
118.00433	0.5
118.04166	1.3
119.04944	2.2
119.08614	0.7
121.06511	100.0
122.06794	0.5
123.04442	2.0
123.08079	5.7
125.06004	1.4
128.06239	0.7
129.07042	0.7
131.08562	2.8
133.06514	4.3
133.10100	0.9
135.05574	0.5
135.11696	0.5
136.05209	4.1
137.05988	50.3
138.06786	2.7
139.07544	2.2
143.08580	1.0
145.10147	1.6
146.10893	0.9
151.07552	56.7
152.07796	0.7
157.06490	0.8
157.10144	1.2
161.05951	1.0
171.08075	0.7
171.11726	1.1
173.06004	0.6
175.07436	0.6
185.06012	0.7
185.09645	1.5
187.07541	1.8
189.09119	0.7
195.08092	0.5
197.05869	0.8
199.07474	0.7
199.14873	0.6
201.09033	0.6
202.09872	1.1
203.10699	0.6
212.08424	1.0
213.09166	3.3
215.06996	0.6
227.10686	1.9
227.17860	1.0
227.32558	0.5
230.05846	0.6
230.09392	3.6
234.76079	0.5
245.08238	2.9
245.11746	81.1
245.18761	1.3
246.12077	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
52.44471	0.2
53.28079	0.2
56.05040	0.3
58.06603	0.3
69.07070	11.0
70.82348	0.5
70.82691	0.3
72.18839	0.2
72.99410	0.2
79.35728	0.2
80.58535	0.3
86.09710	100.0
87.10050	0.3
108.20758	0.3
121.94937	0.2
123.04462	0.7
132.10236	2.2
133.06520	0.6
146.83800	0.3
151.03934	1.1
199.18167	0.8
245.08151	0.8
245.18608	2.9
251.87151	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	NH-DVal(NMe)-Val-OMe
Peak:m/z	Relative Intensity
69.07063	0.4
69.83375	1.5
69.83784	0.6
72.14300	0.3
86.09711	100.0
92.29214	0.3
103.87025	0.3
123.04443	1.1
132.10222	3.2
133.06491	0.4
151.03929	1.5
174.89565	0.4
199.18108	1.5
211.75075	0.4
245.08188	1.3
245.18665	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1903
Annotation	Falcarinol
Peak:m/z	Relative Intensity
53.03944	3.0
55.01854	2.4
55.05520	7.2
57.03442	1.4
57.07066	2.9
62.06087	3.6
64.98786	1.1
67.05243	1.2
67.05505	14.8
69.07064	7.1
69.69962	1.3
70.42572	4.1
71.05003	2.4
71.08639	1.5
79.05507	13.5
80.20467	1.3
80.62598	1.3
81.03415	1.3
81.06595	1.9
81.07063	31.1
83.04968	4.5
83.08618	4.1
85.06535	4.3
86.09679	2.0
91.05488	17.2
93.06494	1.7
93.07056	28.8
93.56213	1.4
95.04937	4.1
95.08618	31.0
97.06562	6.8
97.07076	1.4
97.10152	2.4
102.63464	1.3
103.05447	1.9
105.07039	35.3
107.04955	1.5
107.08604	28.3
109.06565	2.7
109.10167	17.8
111.08059	1.6
117.05434	1.8
117.07031	7.5
119.08595	27.5
121.06494	4.4
121.10159	15.3
123.08073	2.0
123.11708	6.3
128.06250	2.1
129.07033	8.7
131.08582	16.4
133.09232	2.2
133.10149	18.1
135.08081	2.5
135.11708	11.0
137.09633	2.8
142.07724	4.5
143.08572	19.4
144.09312	1.7
145.10138	37.5
147.11696	26.8
149.09607	4.3
149.13281	7.5
151.11198	2.6
156.09305	3.3
157.10152	17.0
159.11702	19.4
161.09633	1.5
161.13266	6.0
163.11232	2.3
163.14816	1.6
169.10153	1.9
171.08093	2.3
171.11703	29.3
173.13313	7.6
175.14862	2.5
183.11740	1.8
185.13264	22.9
187.14847	10.3
189.12758	5.8
199.14848	9.3
201.14612	2.2
201.16402	32.2
203.14275	2.8
203.17972	3.2
217.15836	2.3
217.19565	3.0
218.10248	1.9
227.17967	61.3
230.05800	1.4
245.08028	6.2
245.11778	3.3
245.19029	100.0
251.83424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1902
Annotation	Falcarinol
Peak:m/z	Relative Intensity
53.03930	2.4
55.05498	8.2
65.44742	1.8
67.05511	13.2
69.07066	7.3
69.91269	5.4
69.91668	2.9
71.04995	2.1
79.05486	13.8
80.51775	2.0
81.03393	2.2
81.07061	38.0
83.04993	3.5
84.04485	2.4
85.06534	5.9
86.09660	2.4
91.05495	15.3
93.07047	29.3
95.04937	2.4
95.08612	31.1
97.06512	7.2
98.20878	2.6
98.21390	2.6
105.07039	37.4
107.08601	28.1
109.06499	4.0
109.10165	15.1
110.21642	2.0
111.08086	3.7
117.07034	4.6
119.08577	32.0
120.85497	2.2
121.06478	4.8
121.10152	17.4
123.08056	2.7
123.11692	3.5
128.06238	3.3
129.07005	8.2
131.08574	24.2
133.10150	21.0
135.11731	12.0
142.07800	3.8
143.08569	16.6
145.09048	3.6
145.10130	42.1
147.11714	23.2
149.09468	2.5
149.13255	5.8
151.11174	2.1
156.09312	4.5
157.10136	22.8
159.11711	15.6
161.13245	8.7
163.11192	2.6
170.05730	2.4
170.10904	2.8
171.07996	2.7
171.11678	35.3
172.12242	2.5
173.13280	6.1
175.11153	3.2
185.13281	19.4
187.14841	15.2
189.12828	4.0
199.14853	12.4
201.16396	27.3
203.14316	2.5
203.17986	2.5
217.19472	2.9
227.17966	68.2
230.05800	2.8
245.04234	2.4
245.08011	10.4
245.11723	7.4
245.19014	100.0
246.19357	2.7
246.24239	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	245.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34392	0.4
54.89563	0.5
55.05511	9.3
57.07078	5.9
65.03915	0.7
66.54794	0.5
67.05505	11.9
69.07072	17.7
69.86118	2.4
79.05502	6.0
81.07061	26.4
82.77763	0.5
83.08624	9.8
91.05480	6.8
93.07049	15.5
95.08610	31.5
97.10187	3.8
98.20685	1.0
105.07036	18.7
107.04939	0.5
107.08602	26.9
109.10161	21.0
109.10930	0.7
111.11715	0.9
117.05563	0.5
117.07015	1.1
119.08592	24.3
121.10150	21.5
122.10506	0.5
123.11705	15.0
131.08598	1.4
133.10130	18.9
135.11691	16.4
137.13271	7.6
145.10112	1.7
146.10939	0.6
147.11693	16.6
149.13264	18.7
151.14786	2.3
159.11754	1.3
161.13269	15.4
162.13609	0.6
163.14828	21.0
173.13290	0.9
175.13303	1.2
175.14832	24.9
176.15285	0.7
177.16365	1.9
184.68616	0.6
187.14819	3.5
189.16393	24.9
201.16409	0.6
202.17142	1.8
203.17957	11.6
217.19434	0.6
218.10237	0.6
245.08041	0.8
245.22656	100.0
246.22887	2.7
258.43713	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78863	0.5
54.93788	0.5
56.05030	0.6
56.96565	6.4
57.03440	0.7
60.05655	0.9
61.02933	0.9
69.03442	1.4
69.07074	1.9
70.06589	3.4
70.95871	1.8
70.98132	1.2
71.50389	0.6
72.04488	0.6
72.08154	5.9
72.93793	1.6
73.02927	1.3
81.03410	1.1
81.40184	0.4
83.91185	0.6
84.08147	10.8
84.96040	0.8
85.02894	2.3
85.71766	0.5
86.09709	100.0
88.54401	0.6
97.02901	2.0
97.06548	0.7
98.97594	10.6
99.97899	0.6
101.00878	1.6
102.00936	1.1
102.96904	0.6
109.02881	0.5
110.01278	0.7
110.97565	2.4
112.08838	0.5
112.99174	0.6
114.94844	0.6
115.08704	0.6
116.98627	2.3
119.01888	1.8
119.88894	0.5
120.02001	1.0
127.03944	0.7
128.98596	1.4
129.10233	4.7
130.08632	1.7
131.97473	0.6
132.95824	6.8
133.06088	2.2
136.92665	0.5
143.11789	1.3
143.97450	0.7
144.02151	0.6
146.97441	0.6
146.99625	0.8
147.11267	1.5
150.96931	3.5
156.04713	1.3
157.09734	1.0
157.98961	1.0
158.03778	0.7
158.09306	0.5
158.99638	1.9
161.02885	0.9
162.03091	1.6
170.03426	0.8
170.99626	1.2
174.03517	0.6
174.05873	0.6
175.11906	1.7
177.00699	0.5
186.03088	1.0
200.03691	18.5
201.00681	0.8
201.04080	0.8
218.04761	11.9
218.09947	0.6
219.01697	0.8
228.03085	1.5
229.15381	0.5
237.02840	0.6
237.05249	0.7
242.03300	0.5
246.04199	25.9
246.15518	2.6
246.18077	2.1
264.05362	1.4
264.13171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01868	3.4
55.05508	5.8
56.05038	4.4
56.96298	3.3
56.96568	54.1
57.03430	7.8
60.05649	8.6
61.02926	10.9
62.04943	1.9
67.05494	2.3
69.03441	25.9
69.07082	4.0
69.48820	1.9
69.92899	8.3
70.06590	31.7
70.98130	27.4
71.04974	3.3
71.95257	2.9
72.08163	48.7
72.93815	1.8
73.02924	18.2
74.06110	2.8
76.37839	1.7
81.03425	11.0
84.04508	4.9
84.08149	100.0
84.96054	4.1
85.02908	28.5
86.09715	39.2
87.04488	5.2
87.05582	2.6
88.03976	2.7
88.99166	14.7
91.03940	2.3
96.01548	2.4
97.02892	27.5
97.96794	2.0
98.97592	91.5
99.04446	4.8
101.00841	7.4
101.07136	5.6
101.10782	3.1
102.00973	5.2
103.00627	2.3
107.04953	9.7
109.02916	6.4
110.06028	1.8
110.97576	26.8
111.04462	3.1
112.08731	3.5
112.99136	2.3
113.00943	2.2
114.05558	2.4
114.06683	4.7
115.08661	2.0
116.01249	2.0
116.07103	5.8
116.98639	25.1
118.08664	12.1
119.01888	14.9
119.04870	2.4
120.02035	8.1
123.04460	2.0
124.99117	5.0
127.03944	7.5
128.02376	2.2
128.98618	38.3
129.06635	5.1
129.10251	28.7
130.08665	15.0
131.00150	2.4
131.01823	3.8
132.95862	4.3
133.06065	4.0
134.99637	2.2
135.04373	3.2
137.05983	3.6
140.02368	2.2
140.98589	2.4
143.00191	6.9
143.01878	3.8
143.11868	2.2
144.01955	3.9
145.04909	3.0
146.02347	5.3
146.99660	35.1
147.04466	3.0
147.11310	21.7
152.02333	6.2
155.02888	2.7
156.02130	2.5
156.03374	10.0
158.03668	2.5
158.09264	8.1
158.58568	2.1
158.99661	20.7
161.01396	2.4
161.02893	11.9
162.03082	9.4
165.00749	18.6
165.03084	5.0
168.03470	4.5
170.03384	4.5
170.99706	13.1
174.03238	4.8
175.10764	6.0
175.12120	10.5
177.00702	9.5
179.00047	2.5
182.03406	4.4
182.99681	7.7
186.03111	5.8
186.04593	10.7
186.99179	2.7
189.00746	7.7
191.03928	5.7
197.01201	3.5
198.03426	2.3
200.03581	3.3
201.00739	6.5
201.04224	6.0
204.05630	3.9
205.00244	17.5
207.01744	2.5
216.04512	6.0
218.04741	2.3
219.01727	15.0
222.99278	3.3
223.01161	11.5
223.05995	2.2
226.01540	2.1
228.05560	5.3
229.13210	3.6
229.15495	7.4
237.02850	12.3
237.05241	8.5
241.00194	4.8
246.05539	16.8
246.09972	3.4
246.13400	2.4
246.15637	28.5
246.18170	18.6
247.04669	2.7
255.03905	2.2
256.05139	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	246.145
Annotation	H-Ile-Asn-OH
Peak:m/z	Relative Intensity
51.79673	1.8
53.03927	1.7
55.05511	3.3
56.05019	5.3
56.96564	14.0
58.06593	2.0
60.04518	2.7
60.05638	4.0
65.03249	1.7
68.05038	2.1
69.03425	6.2
69.07068	39.0
70.02968	12.7
70.06602	25.5
70.09687	7.4
70.98117	2.3
71.04992	2.7
72.08162	18.5
72.93795	2.3
73.02905	2.1
73.04034	3.4
73.06539	2.4
74.06087	2.0
75.05607	3.3
76.91461	1.9
79.05485	1.9
80.98360	1.7
81.03401	9.1
84.04491	8.0
84.08147	57.2
85.02911	5.7
85.04037	13.0
86.09709	100.0
87.05599	56.1
88.03985	4.2
96.04453	2.3
96.08121	2.5
97.02880	3.8
98.02423	16.0
98.09668	1.9
98.20845	2.2
98.97567	7.9
99.04440	3.1
100.07611	5.5
102.05535	7.5
108.04501	2.3
110.02406	48.6
112.07626	2.3
112.08780	2.5
113.10772	33.4
114.05547	11.0
116.07049	4.5
116.98596	2.4
117.05484	8.4
120.08125	3.5
124.03979	9.5
127.05004	2.7
128.98616	2.0
129.10216	12.5
130.05042	4.0
130.08641	9.3
132.10210	15.2
132.95862	4.0
137.06010	2.0
138.09137	6.0
141.09177	3.7
141.10231	65.1
143.11810	29.9
146.99634	2.7
147.11278	8.3
150.96909	2.4
151.03972	2.0
152.04245	2.1
155.11786	7.8
158.08113	3.1
158.09273	4.1
160.99043	2.5
165.00729	3.4
166.08644	58.0
169.09732	5.4
171.11279	7.6
175.11948	4.4
179.00146	7.6
180.04698	1.7
180.06438	2.2
182.11801	3.6
183.11292	11.3
187.09096	2.3
187.10785	45.9
188.09245	3.0
191.39511	1.9
194.97426	6.4
197.01207	7.0
200.09157	3.5
200.13959	18.6
201.12418	2.9
202.10855	2.3
208.00539	2.1
211.10683	4.9
212.09186	67.5
212.98415	2.6
216.07375	1.9
218.10234	5.9
222.96870	7.1
223.02931	2.8
223.04877	2.2
226.01450	9.1
228.08650	4.6
228.13428	2.7
229.11784	28.3
229.15376	4.4
240.97910	4.8
241.03839	9.3
244.02660	3.0
246.09926	8.7
246.15532	22.3
246.18173	11.9
246.24162	4.1
259.04898	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34276	0.6
71.35882	1.4
76.25964	0.6
95.31995	0.6
101.54581	0.6
103.00656	1.3
104.10746	3.0
110.09559	0.7
121.01698	1.1
124.98402	0.6
145.01727	0.8
146.63055	0.6
167.03125	1.5
169.01093	0.9
187.02625	1.5
229.01274	0.6
229.03201	30.6
247.04274	100.0
247.07866	7.4
248.04523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01862	0.9
55.05507	1.5
57.03424	1.7
57.07066	1.3
62.79504	0.9
67.05499	2.0
69.03420	5.6
69.07037	1.0
70.06577	2.1
71.04983	1.7
71.51117	1.4
78.04701	1.0
79.05478	2.7
81.03415	11.5
81.07046	3.0
82.45390	0.9
85.02904	12.7
88.07623	1.5
89.03899	2.4
91.05480	5.4
93.07048	4.5
95.08600	2.9
97.02898	9.8
98.21546	0.8
99.04448	2.0
103.05454	2.1
105.03386	1.1
105.07019	4.1
106.08714	1.1
107.08573	3.6
109.02892	10.3
109.10133	1.1
115.05453	21.1
116.06217	2.7
117.03365	3.6
117.07024	5.1
119.08556	4.1
121.10149	2.4
127.03923	14.6
128.06186	3.0
129.06992	1.8
131.04907	3.6
131.08551	2.4
132.05699	3.8
133.10097	1.3
134.03622	1.6
135.04428	1.5
135.11679	2.7
141.03362	2.6
141.07066	1.3
143.04893	3.1
144.05719	6.5
145.02849	5.5
145.10129	1.8
147.08055	2.0
147.11652	1.4
149.05984	15.4
149.13240	1.8
159.04355	1.7
159.08003	1.3
159.11726	2.5
160.05205	34.8
160.06531	1.8
161.05884	1.5
161.13252	1.2
162.03137	9.9
163.04102	1.0
173.06007	1.2
175.03941	2.7
175.07538	44.7
177.05455	17.9
177.09122	1.1
186.03403	1.1
187.05930	1.6
187.07484	1.8
190.02600	23.2
201.05243	12.6
201.09077	2.2
205.04964	100.0
206.05273	1.3
219.06482	1.4
219.10155	2.1
229.04921	3.4
229.19540	2.8
246.24350	8.1
247.05948	12.5
247.09715	11.6
247.14816	1.2
247.16946	4.3
247.20714	4.6
247.24472	3.0
253.95779	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
54.32471	0.2
57.03434	0.2
57.69588	0.2
60.05829	0.2
61.02930	0.3
64.05117	0.2
65.03938	0.6
67.05491	1.1
69.03441	3.1
71.04984	0.5
71.51412	0.4
74.62610	0.2
81.03427	3.6
85.02435	0.4
85.02908	4.1
85.06538	0.8
88.48376	0.2
91.05487	8.8
95.08601	0.3
97.02885	1.9
99.04458	1.6
100.08473	0.3
103.03931	1.2
103.05450	0.4
105.07087	0.4
107.04939	0.4
109.02877	4.5
117.07044	0.3
119.04953	5.6
119.08604	0.3
123.03163	0.2
127.03928	9.8
128.06207	0.3
129.06952	0.3
131.04936	2.3
145.04965	0.5
145.06499	0.4
145.10068	0.4
147.04419	19.3
159.04440	3.5
163.03886	2.1
169.04935	0.8
173.06003	1.2
173.09616	0.3
175.03917	100.0
176.04247	1.1
177.05444	0.3
178.16904	0.2
187.03931	4.4
187.05899	0.5
187.07483	1.4
189.05472	0.7
201.05501	3.3
201.09109	0.6
203.06993	1.0
214.06271	0.6
229.08609	15.1
230.08937	0.3
247.07147	0.6
247.09685	12.0
247.16800	0.3
247.24539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44279	1.5
53.03939	5.7
61.02917	1.6
69.03082	2.8
69.03433	38.8
71.04981	4.2
77.10844	2.1
81.02991	2.9
81.03424	32.8
85.02914	37.8
88.45222	1.5
97.02888	13.8
99.04465	12.9
103.03933	10.0
107.52042	1.6
109.02886	41.2
127.03927	100.0
129.91508	1.8
139.03860	1.6
141.34248	1.5
145.04964	4.5
169.05011	9.3
175.56461	1.7
187.06004	6.7
191.07166	1.6
201.09090	1.6
215.04205	1.8
247.07532	2.7
247.16945	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	247.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.0
55.01876	3.0
55.51849	2.0
57.03445	3.4
61.02924	4.0
67.01846	3.2
69.03437	32.1
69.54881	8.5
69.55298	5.5
71.01341	2.4
71.04976	7.9
81.03423	100.0
81.07067	2.6
85.02910	58.0
91.05468	3.9
95.08636	3.4
97.02312	2.2
97.02904	30.5
99.04469	23.2
103.03936	9.7
105.06988	3.4
109.02885	61.8
115.03947	2.4
115.05464	2.4
119.08560	3.3
121.10178	2.2
127.03927	94.5
129.06998	4.7
131.08588	3.9
143.08606	2.2
144.05731	3.5
145.05013	3.0
145.06497	2.6
145.10155	4.3
156.05650	2.6
159.08046	3.3
159.11688	3.0
169.05000	7.7
180.77974	2.3
187.06001	13.9
187.07574	6.0
201.09033	2.7
203.07083	3.9
217.08537	3.6
219.10117	2.4
229.07045	6.6
247.07492	3.7
247.09691	13.6
247.16925	5.9
263.79117	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
57.03436	3.4
58.70824	1.4
61.02922	5.9
69.03428	12.7
69.64437	1.5
70.79398	1.6
70.79719	2.2
71.04980	4.9
81.03417	22.9
81.07041	3.3
85.02908	100.0
85.06511	1.5
93.07042	2.3
95.04947	2.3
95.08591	2.1
97.02892	17.1
99.04470	8.4
105.07002	4.0
107.08609	3.1
109.02883	23.9
109.06518	1.6
111.08043	1.9
119.08562	1.4
127.03924	39.9
131.08551	1.9
133.10133	2.2
141.06975	2.6
145.04976	2.7
147.11705	2.4
157.52573	1.5
159.11740	2.3
169.04825	2.0
173.13411	1.4
187.06013	5.0
187.07614	2.6
219.08119	1.8
229.28493	1.5
247.07594	3.0
247.09804	2.1
247.13242	2.2
247.16994	3.9
247.20660	1.6
248.08588	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
55.01872	0.3
57.07056	0.3
59.04982	0.3
65.03937	0.6
65.93505	0.2
67.05506	1.2
69.03413	0.9
69.85513	0.6
69.85912	0.5
71.04967	0.2
71.67648	0.2
81.03413	1.7
84.56944	0.2
85.02917	2.2
85.06525	0.4
91.05488	9.8
97.02910	1.3
98.21463	0.4
99.04431	0.4
103.03914	0.2
103.05444	0.5
105.07027	0.6
107.04949	0.4
109.02867	1.5
115.05451	0.4
117.07017	0.4
119.04946	4.9
119.08588	0.4
121.02829	0.3
127.03937	2.7
128.06189	0.2
131.04918	1.6
135.08026	0.3
145.06502	0.3
147.04416	19.4
155.08479	0.3
159.04430	2.9
159.08017	0.3
163.03909	2.7
165.06963	0.2
169.37280	0.3
173.06033	1.2
175.03911	100.0
176.04243	1.5
177.05484	0.4
187.03928	4.8
187.05908	0.4
187.07504	1.4
189.05478	0.6
201.05476	2.9
201.07277	0.3
201.09161	0.7
203.07005	1.4
214.06248	0.3
216.06535	0.3
217.08611	0.3
229.08601	15.4
230.08919	0.4
247.09683	12.8
247.16925	0.4
247.20682	0.3
247.24574	0.6
264.38809	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Decursinol
Peak:m/z	Relative Intensity
53.03938	0.3
55.01857	0.2
57.07066	0.5
59.19687	0.2
59.21838	0.2
65.03937	0.9
67.05511	1.0
67.05830	0.2
69.03416	0.9
69.79112	0.9
71.04984	0.3
72.65897	0.2
81.03415	1.4
85.02910	1.3
85.06528	0.8
91.05482	9.2
97.02872	0.5
98.34827	0.2
99.04441	0.5
103.03919	0.2
103.05454	0.5
107.04919	0.4
109.02875	1.2
115.05511	0.2
116.88319	0.2
117.07030	0.3
119.04948	5.0
127.03920	3.4
131.04938	2.0
145.06467	0.3
147.04413	19.7
148.04738	0.2
155.08501	0.4
159.04405	3.1
163.03903	2.7
165.07079	0.2
169.04919	0.4
173.05989	1.2
175.03909	100.0
176.04300	1.4
177.05489	0.3
186.06781	0.3
187.03928	4.4
187.05836	0.3
187.07518	1.4
189.05475	0.6
201.05484	3.3
201.09216	0.5
203.07037	1.1
205.04846	0.4
206.62141	0.2
211.07567	0.3
214.06293	0.3
229.08607	15.7
247.09680	12.0
263.88440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0965
Annotation	Torachrysone
Peak:m/z	Relative Intensity
53.03941	0.9
55.01862	0.5
57.07061	0.3
60.70129	0.3
61.02925	0.4
64.73079	0.3
67.05495	0.5
69.03451	2.1
71.04999	0.7
71.51250	0.5
74.72433	0.3
75.44575	0.3
81.03422	5.4
81.07035	0.7
84.35189	0.3
85.02911	5.2
85.06555	0.4
91.05475	1.2
93.07031	0.7
95.04955	0.5
95.08667	0.4
95.11036	0.3
97.02892	2.4
99.04467	1.6
103.03935	0.4
105.07037	1.1
105.78119	0.3
109.02229	0.5
109.02888	4.7
109.06499	0.4
109.10238	0.3
109.68353	0.3
115.05466	2.3
115.06151	0.3
117.07030	1.0
119.08595	0.4
121.06478	1.6
121.10130	0.5
127.03919	8.7
128.06207	3.9
129.07022	2.4
130.07797	0.8
131.04962	0.4
131.08583	1.1
135.08020	0.3
137.05888	0.5
141.06995	1.7
142.07770	0.8
143.04938	0.9
143.08548	2.2
144.05719	1.3
145.06482	4.5
145.10150	0.9
147.08008	0.4
149.05934	0.4
155.04861	0.4
156.05690	1.4
157.06511	3.1
158.07280	9.1
159.08041	4.4
159.11661	0.7
160.08841	1.9
161.05992	1.5
161.09612	0.5
163.07579	0.4
169.04976	0.5
169.06384	0.5
169.07703	0.8
170.07277	1.5
171.04433	0.4
171.08057	3.6
172.07314	0.4
172.08827	8.3
173.05994	6.4
173.07375	0.6
173.09575	3.2
173.66455	0.3
174.06793	0.4
175.07552	1.2
175.11215	1.4
176.08339	0.9
177.09203	0.8
186.06754	3.3
187.06009	1.0
187.07533	7.3
188.08331	23.0
189.09035	1.6
191.10666	6.0
198.06802	0.7
201.09116	11.6
202.09901	4.3
203.07007	0.7
203.10696	5.1
204.07759	0.7
208.06593	0.3
214.06259	1.9
215.07013	0.8
219.10207	1.2
226.50439	0.4
229.06792	0.4
229.08662	2.9
229.12212	0.5
229.19635	0.4
232.07295	6.0
245.95995	0.3
247.09671	100.0
247.24599	2.5
248.09937	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0966
Annotation	Phaeochromycin E
Peak:m/z	Relative Intensity
55.05476	0.7
67.05494	0.7
69.03416	1.8
71.47221	1.0
79.05471	1.0
81.03424	3.7
81.07039	0.9
83.61254	0.6
85.02905	4.5
88.07603	0.8
91.05463	1.0
93.07043	0.8
97.02859	2.3
98.21099	1.0
99.04441	1.6
105.07018	1.2
109.02911	4.0
115.05423	3.1
117.07023	0.9
119.08566	0.9
121.06452	0.8
127.03925	7.7
128.06204	5.1
129.06960	1.8
130.07822	0.7
135.11696	0.7
141.07013	3.9
142.07785	1.2
143.04955	1.8
143.08536	2.3
145.06494	1.3
145.10193	0.7
147.04471	0.9
154.67543	0.8
155.04868	2.9
155.81047	0.7
156.05734	4.1
157.06554	4.0
158.07275	10.7
159.08031	2.2
161.05972	0.8
169.06499	3.0
170.07253	9.9
171.04440	5.0
171.08051	12.1
173.05901	1.5
173.09633	1.8
175.03903	2.4
177.09134	1.8
183.04430	1.8
185.06021	1.9
186.06773	28.9
187.07553	3.9
188.08330	4.6
189.09119	1.0
191.10773	0.9
198.06737	7.1
199.03850	2.1
199.07497	1.1
201.09116	100.0
202.09512	1.1
205.08557	2.4
214.06265	14.5
215.07098	1.4
217.08604	1.4
223.61682	0.8
229.08612	60.5
230.08992	0.9
247.09677	94.6
247.24611	2.5
248.10139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	Decursinol
Peak:m/z	Relative Intensity
53.96244	0.2
57.07058	0.5
65.03941	0.6
67.05492	1.0
69.89697	1.1
79.05480	0.3
80.32902	0.2
81.07044	0.6
85.06535	1.0
91.05487	8.1
93.07053	0.3
95.08596	0.6
96.59745	0.2
98.98458	0.4
103.05441	0.5
105.07052	0.5
107.08561	0.6
109.13477	0.2
115.05452	0.5
119.04946	3.8
121.10081	0.2
129.06995	0.4
131.04953	1.4
133.10129	0.3
145.06474	0.4
145.10109	0.5
147.04417	17.5
147.11684	0.4
159.04445	3.4
163.03928	2.2
173.05974	1.1
173.13266	0.7
175.03914	100.0
176.04282	1.1
177.05589	0.2
187.03929	3.4
187.07504	1.2
189.05450	0.8
201.05478	2.4
201.09142	0.5
203.07051	1.1
205.04936	0.3
229.08617	14.6
229.19576	1.0
246.27425	0.2
247.09680	24.7
247.20573	1.5
247.24611	0.3
248.09940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0967
Annotation	Decursinol
Peak:m/z	Relative Intensity
50.24863	0.2
55.05510	0.5
57.03431	0.3
57.07080	0.4
60.29847	0.3
62.57504	0.3
65.03927	0.4
67.05522	1.5
69.26432	1.9
69.26849	0.5
79.05490	0.6
81.03399	0.5
81.07085	1.3
85.06559	1.5
91.05488	9.7
93.07046	1.3
95.08620	1.6
98.21522	0.6
103.05477	0.5
105.07017	1.2
107.08598	1.1
109.10153	0.7
117.07042	0.3
119.04955	4.9
119.08598	1.1
121.10127	0.7
129.06970	0.4
131.04935	1.7
131.08607	0.4
133.10120	0.7
135.11690	0.9
145.06477	0.3
145.10139	0.8
147.04425	19.3
147.11714	0.9
149.13205	0.5
159.04416	2.7
159.11699	1.0
161.13312	0.5
163.03918	2.2
170.53307	0.3
173.06062	1.4
173.09610	0.4
173.13272	1.0
175.03922	100.0
176.04372	1.5
187.03926	4.5
187.07541	1.3
187.14859	0.3
189.05547	0.5
191.03485	0.5
201.03722	0.5
201.05440	3.1
201.09111	0.7
201.16487	0.4
203.07092	1.6
203.17906	0.8
205.04868	0.3
211.07465	0.3
214.06294	0.3
216.06454	0.5
229.08614	19.0
229.19533	2.6
230.08977	0.6
247.09703	12.6
247.16862	0.4
247.20619	4.3
247.24554	0.5
253.57524	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03949	2.2
55.05502	3.0
56.99887	1.7
65.03931	5.1
67.05510	2.8
69.03431	19.4
70.54315	2.2
70.54655	4.3
71.04996	1.9
77.30927	1.9
79.05476	6.2
80.05176	1.6
81.03412	7.5
81.07053	6.4
83.04977	18.7
85.02905	7.6
91.05473	15.3
93.03397	4.4
93.07033	7.5
95.04994	3.0
97.02886	13.9
99.04436	2.5
103.05515	2.2
105.07023	11.0
107.08597	9.3
109.02894	18.9
109.06524	8.8
109.10165	3.1
111.04440	4.3
111.08027	2.1
115.05453	2.7
117.07043	9.5
118.03458	2.0
119.08571	16.7
121.02911	3.5
121.06532	14.1
121.10118	7.4
127.03943	10.7
128.06210	4.4
129.06979	8.4
131.08569	13.4
132.05737	3.9
133.10129	9.9
135.08064	27.3
137.05959	3.9
137.09648	2.1
139.03906	2.1
141.07011	2.4
142.07758	2.2
143.08560	6.8
144.09343	4.2
145.06497	11.1
145.10143	9.2
147.08072	6.3
149.09602	25.3
150.10390	2.3
151.11205	5.1
153.07011	2.1
153.09001	2.4
155.08569	4.7
157.10147	4.3
158.07294	2.6
158.10901	9.7
159.08035	11.2
159.11699	24.1
160.08881	2.6
161.09641	4.6
163.07550	19.7
168.09354	3.6
169.10164	1.7
170.10873	4.7
171.08064	6.7
171.11740	2.4
172.08813	16.1
173.06262	2.1
173.09642	29.6
173.13246	32.0
183.11674	7.1
185.09598	2.6
186.10411	20.2
187.11194	100.0
189.09102	2.6
191.07028	35.3
193.10107	2.1
196.08832	6.7
201.12764	58.3
205.12259	7.1
211.11198	9.9
214.09955	1.8
219.13850	4.3
229.12242	57.0
230.12674	2.1
232.46150	1.8
247.13319	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
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
53.03946	8.6
53.49976	1.5
55.01874	3.0
55.05503	5.5
57.07067	3.4
63.85669	1.4
65.03926	3.5
67.05516	8.2
69.03101	2.3
69.03436	29.0
69.07059	2.8
71.04978	3.1
71.11864	3.4
76.35641	1.6
79.05518	10.4
81.03417	22.2
81.07059	12.5
83.04979	24.1
85.02901	17.8
85.06534	4.3
90.35173	1.5
91.05485	19.6
93.03390	4.8
93.07052	15.8
95.04951	7.0
95.08598	7.0
97.02901	24.0
97.06557	2.0
99.04462	7.9
103.05460	2.2
105.07039	16.2
107.08603	21.5
109.02881	26.9
109.06509	12.6
109.10152	6.1
111.04436	6.2
115.05460	5.7
116.06236	2.3
117.07000	14.9
119.08581	20.2
121.02854	7.0
121.06496	25.0
121.10149	8.1
123.08080	1.7
127.03936	28.3
128.06218	5.2
129.06998	6.1
131.08565	20.4
132.05666	3.1
133.06439	3.5
133.10132	14.1
135.08058	28.4
135.11717	2.1
137.05948	4.3
137.09616	5.4
141.06973	3.1
142.07751	3.1
143.08578	11.2
144.05701	2.7
144.09319	9.6
145.06468	14.3
145.10149	16.9
146.07185	2.1
147.08058	6.4
147.11681	3.2
149.06007	2.7
149.09618	25.2
150.10342	3.8
151.11142	6.5
153.06955	2.5
155.08551	6.7
157.06512	2.9
157.10126	3.9
158.07321	4.8
158.10945	9.0
159.08063	17.2
159.11699	30.2
160.08894	4.3
161.09599	6.2
161.13286	2.3
163.07559	21.7
163.11139	3.2
165.09096	2.2
168.09303	4.0
169.10106	3.9
170.10925	5.6
171.08078	6.7
171.11737	2.2
172.08824	19.3
173.05992	2.6
173.09645	34.8
173.13278	36.6
175.07480	3.9
175.11205	2.3
177.09190	2.3
181.06552	2.5
183.11653	10.1
185.13278	3.4
186.10390	21.7
187.06042	2.6
187.07571	5.0
187.11194	100.0
188.08215	1.9
188.11647	2.6
189.05463	3.5
189.09111	3.7
191.07033	47.0
191.10750	2.1
195.08028	2.0
196.08855	6.4
201.09114	3.3
201.12747	55.2
201.16420	3.3
203.06987	2.3
203.14464	2.0
204.07986	1.9
205.08499	1.6
205.12234	7.7
211.11220	12.3
214.09972	5.3
217.08667	3.2
219.08046	5.4
219.10091	2.5
219.13821	7.2
229.08759	3.7
229.12242	70.7
229.15768	2.8
229.19432	2.6
247.07533	9.4
247.09840	14.4
247.13303	95.8
247.17195	5.1
247.20546	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	247.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01857	1.5
55.05512	12.9
57.03425	2.4
57.07061	2.9
57.97374	0.8
59.10380	0.8
64.34541	1.1
65.03940	1.6
67.05508	32.5
69.03414	2.0
69.07069	13.2
71.04986	3.6
71.51041	0.9
77.03930	1.0
79.05495	45.5
80.05839	1.1
81.03432	5.5
81.07059	46.8
83.04975	1.5
83.08624	5.4
85.02914	2.8
85.06543	9.7
91.05486	28.4
93.07047	70.3
95.04960	4.0
95.08611	41.8
97.02879	2.5
97.06544	4.3
97.10159	3.0
98.98456	2.3
99.08080	4.1
105.04482	1.1
105.07033	27.1
107.04940	1.3
107.08596	47.2
107.89678	1.1
109.02865	2.7
109.06505	2.1
109.10162	15.9
111.08087	4.8
113.09638	1.5
117.07036	7.8
119.06103	1.2
119.08585	22.7
121.10151	35.2
123.08057	1.6
123.11702	5.1
125.09607	1.7
127.03918	4.2
130.07860	0.9
131.08562	15.1
133.10136	19.0
135.11697	38.1
137.09627	2.3
137.13293	1.4
139.11189	1.1
145.10133	17.7
147.11687	22.7
149.09612	1.8
149.13258	30.0
151.11182	3.4
153.12778	2.2
157.10168	1.0
159.11702	17.5
161.13268	8.5
163.11168	2.1
163.14867	9.1
165.12807	2.4
171.11742	1.4
173.13254	15.3
175.03876	2.7
175.14871	2.7
177.12645	1.1
185.13254	1.1
187.14828	7.4
189.16354	2.2
191.14279	1.6
193.30814	1.0
201.09248	2.5
201.16385	4.8
203.17935	4.9
219.10416	1.5
219.21130	1.2
229.08499	1.2
229.19519	37.0
247.05841	1.8
247.09683	5.4
247.20580	100.0
248.20932	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2058
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
55.05513	3.1
57.03428	0.7
57.07061	1.7
66.08234	0.6
67.05506	4.8
68.74271	0.5
69.07063	2.9
69.86686	2.2
69.87096	1.1
74.09692	0.5
75.99699	0.7
76.92298	0.6
79.05505	3.7
81.03398	0.6
81.07056	6.0
83.08577	1.4
85.06552	0.9
91.05492	3.8
93.07049	7.6
95.08614	7.7
97.84609	0.7
98.21373	0.7
105.06401	1.0
105.07038	12.7
107.08592	8.0
109.10154	7.2
111.08087	0.8
117.07010	3.8
119.08591	9.8
121.10147	10.8
123.11726	1.2
129.06950	1.0
130.07791	1.2
131.08568	11.8
133.10138	9.3
135.11690	5.8
137.13342	0.6
139.11052	1.0
143.08571	1.0
144.09355	4.0
145.10118	9.3
147.11684	4.2
149.13284	1.2
157.10173	0.8
159.11697	31.3
160.12363	1.1
161.13252	10.6
171.11678	2.5
172.12442	0.7
173.13266	23.1
175.14830	18.7
185.13239	3.1
186.14027	10.2
187.14792	6.2
199.14813	5.7
200.15652	1.8
201.16364	1.6
214.17189	4.3
225.04257	1.4
229.19518	100.0
230.19949	2.5
247.09769	1.8
247.20598	17.9
247.24380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2059
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
50.51001	1.2
53.03934	1.2
54.46087	1.1
55.05518	5.9
57.07079	2.9
57.55784	1.3
65.03941	1.3
67.05505	11.4
69.03424	3.0
69.07057	8.3
70.45716	2.4
71.05001	2.8
73.90273	1.2
79.05486	10.1
81.03418	3.7
81.07063	29.9
83.08613	3.3
85.02904	2.6
85.06536	8.5
91.05495	14.9
93.06102	1.5
93.07049	31.2
95.04949	3.0
95.08612	29.9
97.06531	2.6
97.10197	1.5
99.04500	2.2
99.08099	1.9
105.07032	23.0
107.08604	25.9
109.02860	3.5
109.06559	1.8
109.10147	16.3
111.08099	3.4
117.07037	3.7
118.05787	1.3
118.88963	1.1
119.04971	2.0
119.08591	18.4
121.10150	19.4
123.08080	1.4
123.11727	6.3
127.03919	6.7
131.04921	1.8
131.08601	10.3
133.10143	17.6
135.11723	13.4
137.09656	1.6
137.54123	1.1
140.62042	1.3
143.08597	1.5
145.10139	14.3
147.04424	7.1
147.11688	24.0
149.13274	14.9
151.11160	2.5
158.10970	1.5
159.11694	24.2
161.13293	5.6
163.03928	1.3
163.14868	8.9
165.12785	2.0
173.13278	32.4
175.03917	32.7
175.14851	4.4
185.06068	1.1
187.14888	7.4
189.16374	8.8
197.86415	1.2
201.09114	1.5
201.16391	9.1
203.17975	29.7
219.10364	1.8
219.21097	3.1
229.08595	8.7
229.19525	66.2
230.19893	2.2
247.09575	10.4
247.20583	100.0
248.20700	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	247.2423
Annotation	Estrane
Peak:m/z	Relative Intensity
53.03945	2.4
55.05275	1.0
55.05518	13.9
55.05785	0.5
57.06853	0.6
57.07080	5.5
58.54921	0.7
64.10412	0.6
65.03950	1.4
67.05508	57.2
69.07071	15.8
69.52177	4.0
71.08620	3.2
77.03894	0.8
79.05499	68.9
81.03432	1.2
81.07061	50.7
83.08627	11.2
85.10198	1.8
91.05479	9.8
93.07050	76.9
95.04966	2.8
95.08614	45.7
97.10181	4.5
98.98476	13.1
105.04510	1.4
105.07040	3.7
106.64065	0.6
107.08600	51.2
109.10162	20.0
109.10921	0.9
111.11707	1.7
117.65279	0.6
119.06045	0.9
119.08551	1.8
121.06538	1.6
121.10150	100.0
122.10493	0.8
123.11735	5.9
133.10158	1.3
135.11700	62.4
137.13249	2.6
145.10088	0.9
149.13264	22.1
151.14839	4.2
159.11594	0.8
161.08075	0.6
163.14835	10.3
165.16393	5.3
173.02129	2.9
175.03813	0.8
177.16368	4.9
179.17870	0.6
186.06827	0.9
189.16481	0.6
191.17911	5.0
201.09193	1.7
205.19557	1.8
213.55431	0.6
217.10020	0.8
219.10274	1.0
229.08675	0.9
229.19562	0.7
232.12463	1.2
235.38972	0.7
247.06003	0.7
247.09834	2.6
247.14592	1.6
247.16988	1.8
247.24228	96.8
248.24525	1.2
261.52109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98644	0.5
56.96569	32.5
57.03434	1.6
60.95868	0.5
61.02936	0.9
64.15253	0.5
64.44142	0.5
69.03425	1.0
69.07079	0.5
70.06583	0.9
70.97758	0.7
70.98118	4.3
71.49502	1.2
71.95277	2.8
72.08147	1.3
72.93807	0.5
72.96052	2.3
73.02915	0.6
73.48560	0.6
74.06081	1.3
74.97599	0.8
83.97659	0.8
84.07699	0.6
84.08149	6.1
84.96033	2.2
85.02908	3.1
86.09713	7.8
87.10040	2.3
88.99154	2.6
97.02901	2.0
97.96751	0.5
98.97589	100.0
101.00861	1.1
102.00951	0.8
102.96880	0.8
110.97557	1.5
112.00732	1.2
112.99193	0.7
115.00690	0.9
115.02443	0.5
116.00228	1.3
116.98628	32.2
119.01890	1.0
120.02001	1.3
124.00727	0.8
126.02287	1.7
127.03921	0.9
128.04274	0.5
128.98627	3.3
129.02213	0.7
129.10233	1.1
130.08691	0.6
130.68086	0.5
131.00195	0.7
131.01918	0.7
134.01303	0.6
134.99678	6.0
140.00163	0.6
140.03844	2.7
142.05444	2.7
143.01860	0.9
144.02075	0.8
144.03346	0.5
145.01732	0.6
145.03406	0.5
146.99686	3.9
152.05063	0.6
153.02377	0.7
153.05762	0.6
154.03893	1.9
158.04912	2.0
158.99669	1.4
160.06516	3.4
161.02959	0.9
162.02991	0.5
163.02718	0.7
163.04369	0.7
165.00716	2.2
167.02805	0.6
170.04959	1.7
171.03271	3.8
177.00752	1.1
178.07509	0.7
188.06009	2.9
189.00699	3.2
189.04369	8.3
202.07399	0.8
206.01727	3.1
206.07013	7.4
207.01790	1.6
207.05363	2.2
212.05876	1.2
216.00638	0.8
224.02696	2.3
224.08066	5.4
230.07013	31.5
231.05403	1.9
248.08092	41.0
266.09113	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01870	1.3
55.05501	2.7
56.05032	1.3
56.96568	39.9
57.03420	3.5
58.64858	0.7
58.68679	0.6
58.99847	0.7
60.95845	3.3
61.02929	4.0
64.65616	0.7
69.03431	6.8
69.07074	1.2
70.06586	3.4
70.31563	2.3
70.98125	34.6
71.04982	1.8
71.95264	2.3
72.08166	5.5
72.93764	1.4
73.02920	4.4
74.06083	1.1
74.97604	1.5
81.03404	2.5
84.04517	1.4
84.08160	5.7
84.96040	3.3
85.02901	7.4
85.08474	0.8
86.09718	6.2
86.97636	1.1
87.04461	1.3
88.99167	17.4
95.00734	0.9
95.01314	0.9
97.02885	5.9
98.97587	100.0
99.04443	1.4
99.97923	5.9
100.99121	1.3
101.00844	2.8
102.96217	0.8
102.96875	3.4
103.00626	2.3
107.00179	2.2
107.75851	0.8
108.04226	0.7
109.02853	0.8
110.07146	3.3
110.97569	7.0
112.99126	3.8
113.02346	0.9
115.00646	0.8
115.02436	1.1
116.98631	32.8
116.99466	1.6
117.02142	1.1
117.98948	2.4
119.01914	4.9
120.08121	1.1
120.97920	1.5
121.01637	2.8
124.95464	0.8
127.03910	2.4
128.98608	26.1
131.00189	5.7
131.01868	0.8
132.10242	0.8
132.95842	2.5
133.01633	0.8
133.03435	1.2
134.99643	8.0
143.00172	3.0
143.01913	2.2
144.95879	0.9
144.98032	1.0
145.01639	2.0
145.03445	0.9
145.04985	0.9
146.99654	36.0
147.03154	1.0
147.05016	1.4
149.00215	0.9
149.01277	4.3
150.05748	1.3
153.05783	2.2
154.54008	1.3
155.02846	0.9
155.04640	4.6
158.99641	7.7
159.03307	1.4
160.06509	1.0
161.01241	2.4
161.02945	2.4
161.04671	2.1
161.06616	2.5
162.06332	1.4
163.02849	1.5
163.04535	1.2
164.98685	0.9
165.00740	14.6
167.01961	0.8
168.03664	2.5
168.98143	0.9
170.05148	4.6
170.99667	2.9
171.05266	1.0
172.94380	2.7
173.01233	1.2
173.02841	1.3
174.95348	1.8
174.99142	3.0
175.04521	0.9
177.00731	4.9
177.02124	1.1
177.04295	1.6
183.01733	1.6
185.02946	1.3
189.00731	31.4
189.02330	1.5
189.04303	1.4
190.04663	1.3
190.95340	1.0
191.02238	1.1
192.96390	2.8
193.00171	1.1
201.00752	0.9
202.96420	1.4
202.98372	1.2
203.02261	0.8
203.04082	1.0
206.06996	1.6
206.97791	0.9
206.99799	1.3
207.01778	26.4
207.07201	1.6
208.01347	1.6
217.00145	1.4
219.01740	2.1
219.05310	0.8
221.03275	1.1
224.08092	0.9
225.02884	2.0
226.05611	1.6
230.98080	3.8
231.01752	1.3
231.07343	6.7
245.04881	0.9
248.99159	8.9
249.02570	6.8
249.08365	8.6
250.02449	1.0
267.00195	3.0
267.03723	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
64.57117	12.9
69.93999	64.7
70.06591	16.4
98.97574	75.7
106.70963	12.0
119.01994	12.9
162.02095	12.0
231.03676	15.8
249.03598	100.0
256.98105	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	249.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04401	0.7
57.07080	1.5
58.07399	1.1
63.94196	0.7
67.05513	1.7
67.96101	0.8
69.07070	1.3
70.06586	2.0
70.89046	1.3
70.89374	1.0
75.15264	0.7
79.05531	0.9
81.03442	1.0
81.07069	3.0
85.02935	0.8
88.07642	1.9
89.07968	1.3
91.05483	11.8
95.08610	3.1
100.66956	0.7
105.03389	1.2
105.07047	2.3
107.08589	0.8
109.02876	0.8
109.10150	1.5
115.05467	19.9
117.07049	3.7
119.08631	1.1
121.10114	0.9
128.06232	1.0
129.03386	1.0
129.07024	2.0
131.08577	1.8
133.06474	5.0
141.07002	1.6
143.04936	58.6
143.06010	3.0
143.08669	1.0
144.05725	1.1
145.06561	2.0
148.08231	0.8
159.08116	1.9
161.05995	28.7
162.06316	1.1
171.04420	100.0
172.04810	1.3
187.07593	0.9
189.05533	1.2
189.09180	1.1
203.07054	1.7
231.06519	1.9
248.24954	9.6
249.09317	1.0
249.11275	6.2
249.14900	1.1
249.18472	1.6
249.25156	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	249.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53656	0.7
67.05513	1.1
69.07058	1.5
79.05457	0.9
81.07045	2.6
91.05484	8.2
95.04974	0.7
95.08590	1.9
103.05498	0.9
105.03422	0.7
105.07011	2.2
107.08629	0.9
109.10120	1.2
114.66183	0.7
115.05463	20.8
117.07038	4.7
119.08531	0.9
131.08517	1.0
133.02864	0.8
133.06526	4.4
137.18886	0.7
141.07021	1.4
143.04936	60.7
143.05977	2.5
145.06476	2.1
147.04437	1.1
161.05988	31.5
171.04422	100.0
172.04747	1.5
175.07590	0.7
203.07062	1.8
231.06508	1.0
249.09157	1.0
249.11290	1.5
249.18610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
55.08236	0.7
57.85133	0.7
68.99793	0.9
69.91096	1.2
69.91502	3.3
79.05499	0.8
81.07065	1.7
91.05484	15.6
93.07050	1.1
98.20834	0.8
105.07036	1.3
107.08572	1.2
115.05453	21.8
117.07026	5.8
129.03389	0.9
129.07045	0.9
131.08565	1.4
131.68741	0.8
133.02849	1.4
133.06491	5.0
133.24718	0.8
137.05991	3.7
141.06996	1.3
143.04930	59.9
143.05954	2.5
144.05312	0.9
145.06526	1.7
161.05984	33.3
161.85477	0.8
171.04413	100.0
171.93239	0.7
172.04767	1.7
179.07060	0.8
203.07063	2.6
231.06552	1.7
236.75539	0.7
249.07390	0.9
249.18752	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.34983	1.1
64.89699	1.0
67.05501	1.1
69.19391	1.1
70.05816	4.8
81.07069	1.5
91.05485	100.0
93.07046	1.7
94.63797	1.0
97.02873	1.2
101.53454	1.1
105.07037	1.7
115.05462	9.2
117.07002	1.5
119.08620	2.1
129.89590	1.1
133.06497	5.2
143.04936	13.9
147.04471	1.8
147.08061	1.5
161.05992	38.5
171.04411	17.1
175.07613	1.6
179.07050	3.6
189.05556	3.1
220.08496	1.2
231.13832	1.7
249.11169	1.5
249.14853	1.6
249.18553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
63.34190	1.0
65.31305	1.1
67.05507	1.6
70.88942	1.4
70.89252	1.8
75.69804	1.0
91.05486	100.0
93.07019	1.8
95.08594	1.4
101.28458	1.1
103.05472	2.4
105.03394	2.2
105.06386	1.0
105.07026	6.1
107.04944	1.8
115.05467	15.0
116.06232	3.1
117.07009	4.7
119.08606	1.8
127.64017	1.0
128.06233	9.4
129.07004	21.4
131.04918	2.3
131.08588	17.5
132.05760	1.2
133.06503	7.2
133.10117	1.4
141.07011	7.7
142.07753	3.0
143.04951	19.0
143.08543	4.9
144.05707	8.6
145.06494	7.0
146.07245	2.3
147.04364	2.1
149.07967	1.3
153.06975	1.9
155.06012	2.5
156.05675	1.5
157.06448	7.9
158.07271	2.2
159.08073	20.3
160.05212	1.5
161.05991	38.2
161.09561	5.4
167.07043	1.0
169.06358	1.4
169.07634	2.9
170.07254	8.8
171.03058	2.2
171.04411	27.8
171.08040	5.7
172.05150	2.3
173.05946	4.3
175.07535	3.3
179.07031	4.9
185.05792	1.3
186.06744	1.7
187.07536	18.1
189.05499	4.9
189.09135	9.2
190.06276	2.5
198.06706	1.7
199.07515	2.0
201.05530	1.5
203.07069	6.7
204.07805	12.5
205.08621	1.3
216.07817	3.1
219.10049	2.5
221.07979	1.5
221.11725	2.9
231.10190	4.7
249.11237	90.1
249.18449	2.2
250.11621	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01857	1.3
55.05498	0.8
56.96556	1.1
57.03416	0.8
67.05493	1.8
69.03416	2.2
69.38602	5.0
79.05489	1.7
81.03421	1.5
81.07057	3.1
85.02901	2.7
87.00821	1.1
91.05482	10.1
93.07040	3.0
95.04970	1.5
95.08595	1.6
97.02885	2.6
97.06557	0.7
98.97602	2.8
99.04467	0.6
103.05487	1.4
105.07030	4.3
106.99345	0.6
107.04962	1.9
107.08588	1.9
109.06516	0.7
109.10183	0.9
111.04423	0.7
115.05463	6.1
116.06255	4.0
116.98598	0.8
117.07025	3.8
119.08576	1.9
121.06557	0.7
127.03953	1.0
128.06242	9.9
129.07016	21.4
130.07788	0.9
131.04913	3.7
131.08580	19.2
132.05681	1.0
133.06508	3.4
133.10155	2.8
139.03865	0.7
141.06996	10.9
142.07744	4.4
143.04929	1.1
143.08580	3.4
144.05704	10.8
145.05333	0.8
145.06488	6.8
146.07297	4.1
147.04439	1.2
147.08047	1.6
147.11703	1.5
149.09569	0.6
151.03874	0.7
152.06195	1.1
153.06996	2.5
155.06017	1.7
156.05675	1.6
157.06500	11.1
158.07269	2.7
159.08051	26.6
160.05209	2.2
161.05977	3.6
161.09641	7.0
164.60590	0.6
167.07066	1.2
169.06435	1.3
169.07640	3.1
170.07268	6.6
171.04405	2.8
171.08073	7.1
172.05145	2.8
173.05975	4.1
173.09709	0.8
174.06837	2.8
174.75330	0.7
175.07542	3.6
177.05466	1.0
178.06357	0.9
181.06406	0.9
181.89421	0.6
185.06026	0.9
186.06949	1.1
187.07545	18.1
188.08272	1.2
189.05487	3.8
189.09120	9.6
190.06201	1.4
191.07025	2.0
193.08583	1.3
198.06757	1.9
199.07527	2.6
201.05470	2.6
203.07034	6.7
204.07829	11.3
205.08592	2.3
206.07376	0.6
206.09370	0.8
216.07863	4.0
218.09416	1.2
219.10168	1.7
221.08148	1.1
221.11639	3.2
227.09554	0.9
231.10190	6.9
231.13725	1.3
249.11235	100.0
250.11636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.24108	0.5
55.01882	0.8
57.03440	0.7
64.47952	0.6
67.05491	1.1
69.03429	3.5
71.04956	0.8
71.10208	1.3
77.02244	0.7
79.05485	1.4
81.03402	2.1
81.07046	0.9
82.22213	0.5
85.02898	3.8
87.00821	2.0
91.05482	10.0
93.07053	1.3
95.04961	0.6
95.08594	0.6
97.02888	2.5
99.04376	0.9
103.05450	1.5
105.07042	4.1
107.04926	1.5
115.05461	6.8
116.06239	4.2
117.07021	3.7
118.07810	0.8
119.08636	1.3
120.08106	0.6
121.06495	0.8
127.03922	2.1
128.06233	11.2
129.07022	25.5
130.07782	1.2
131.04922	1.3
131.08572	19.9
131.13344	0.7
132.05765	1.6
133.06500	3.2
133.10121	2.3
141.06996	11.5
142.07809	4.9
143.04979	1.1
143.08580	4.4
144.05722	11.0
145.06482	6.6
145.10092	1.2
146.03615	0.9
146.07275	4.1
147.04388	1.7
147.07970	1.3
152.06223	1.3
153.07002	2.1
155.06033	2.0
156.05684	2.0
157.06490	10.9
157.10120	0.9
158.07263	2.0
159.08063	31.9
159.11642	0.8
160.05176	1.7
161.06029	5.3
161.09604	6.7
167.07031	1.3
169.06444	1.7
169.07623	4.0
170.07274	8.5
171.04437	2.5
171.08066	6.1
172.05199	3.2
173.06053	4.3
173.75581	0.6
174.06766	2.8
175.07600	3.6
177.05380	0.6
178.06264	0.7
184.05264	0.6
185.05963	1.2
187.07556	21.4
188.08333	1.0
189.05411	4.2
189.09128	9.1
189.12637	1.0
190.06177	1.5
191.07057	1.2
192.07867	1.2
193.08618	1.0
198.06816	2.4
199.07547	2.5
201.05379	1.6
203.07042	6.8
204.07816	15.1
205.08560	2.4
216.07883	3.2
217.08565	1.2
218.09425	2.0
219.10162	2.2
221.07922	1.0
221.11688	4.2
231.10149	7.2
231.13741	1.8
234.08971	0.7
249.11232	100.0
250.11565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03932	0.7
55.01858	1.0
55.05513	1.2
57.03430	1.0
59.04998	0.6
64.80299	0.5
65.08875	0.5
67.05515	2.7
69.03434	3.9
69.07061	0.6
71.04977	0.7
71.50572	0.6
72.51752	0.5
77.03000	0.5
79.05513	2.6
81.03408	1.5
81.07056	2.7
82.09637	0.4
82.30515	0.5
83.04958	0.8
83.08627	0.9
85.02895	2.0
85.06553	0.6
87.00865	0.5
91.05480	10.2
93.07065	3.1
95.04939	1.9
95.08595	2.8
97.02876	2.0
97.06516	0.9
99.04446	2.0
103.05479	2.0
105.07040	7.0
105.85130	0.5
107.04955	2.2
107.08644	2.7
109.02901	1.2
109.06509	1.3
109.10179	1.4
111.08052	0.9
115.05457	5.0
116.06278	3.4
117.07028	4.3
119.04942	0.7
119.08604	2.9
121.06500	1.9
121.10157	2.1
123.08094	0.9
123.11720	1.1
127.03932	1.3
128.06235	8.7
129.07011	20.0
130.07796	1.3
131.04910	2.5
131.08575	17.0
132.05707	1.2
133.06509	3.5
133.10162	3.9
135.04414	0.7
135.07967	0.7
135.11734	1.2
137.05914	0.6
141.06985	8.7
142.07788	4.3
142.23450	0.4
143.04936	1.6
143.08560	4.3
144.05711	10.0
145.06519	6.6
145.10126	1.0
146.03664	0.6
146.07289	3.0
147.04398	1.7
147.08080	1.2
147.11681	1.8
149.09680	0.6
149.13271	0.6
152.06161	1.2
153.06956	1.5
155.06052	2.3
156.05730	1.4
157.06500	9.1
157.10124	0.9
158.07294	2.6
159.08067	26.3
160.05116	1.6
161.05959	4.8
161.09634	8.2
161.13249	0.9
163.11169	0.6
167.07060	0.5
169.06448	1.2
169.07625	3.8
170.07269	7.7
171.04411	2.3
171.08040	6.9
171.11691	0.8
172.05225	3.2
173.05998	4.3
174.06746	2.4
175.07553	4.0
177.05467	0.8
177.08859	0.6
181.06297	0.8
181.07736	0.6
185.05923	0.7
185.13336	0.6
186.06821	0.9
187.07545	19.2
188.08289	2.2
189.05528	3.5
189.09085	8.6
190.06313	0.8
191.07079	1.6
192.07693	0.6
193.08566	0.8
198.06792	2.2
199.07544	2.0
201.05475	1.7
203.07050	5.4
203.10706	0.5
203.17964	1.0
204.07835	12.7
205.06746	0.5
205.08508	1.0
206.07268	0.9
206.09276	1.0
207.11821	0.5
216.07814	4.1
217.08533	1.4
218.09422	1.3
219.06580	0.8
219.10210	1.9
221.11668	3.6
231.10126	7.5
231.13776	1.1
231.17390	1.1
234.08806	0.8
240.08546	0.5
249.11235	100.0
249.18216	2.9
250.11482	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	1.9
56.96560	2.6
59.05007	2.3
63.19282	1.2
68.51662	1.3
69.03425	5.6
70.06585	2.0
71.50043	2.0
72.04523	16.3
72.08133	2.7
74.06081	1.6
79.00963	1.4
81.03425	3.0
84.04492	3.1
84.08134	5.4
85.02882	5.3
86.09704	3.9
87.00810	2.5
91.05486	5.0
97.02901	3.2
98.97596	3.5
99.04446	1.6
100.03995	1.4
103.05493	2.1
105.07021	3.2
107.04954	3.4
107.08631	1.4
109.02878	2.1
110.07137	3.1
111.04428	1.4
115.05460	7.8
117.05736	3.5
117.07041	4.0
118.05037	19.2
118.06551	35.4
120.08108	8.9
123.04398	2.1
127.03911	3.2
130.05000	1.3
130.06485	2.2
131.05005	1.4
132.08102	81.8
133.06520	2.5
134.99670	1.3
136.07570	3.0
137.05945	1.3
142.06535	3.2
143.04941	8.9
143.07314	3.8
144.08101	19.3
145.06445	1.4
146.06020	80.3
151.03864	1.6
152.07007	1.9
155.06018	1.5
157.06529	1.3
159.95425	1.5
160.05182	3.0
160.07559	1.2
161.05957	7.2
161.09618	2.1
170.05965	6.4
171.04420	5.7
175.07578	8.7
185.07141	1.7
186.09203	1.3
188.07080	100.0
189.05435	3.9
189.07251	1.8
191.06911	1.8
203.07002	14.1
203.11885	2.6
217.05011	3.2
249.05659	1.4
249.07684	11.8
249.12509	16.8
249.14935	2.7
249.18690	1.5
263.99432	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.185
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03934	2.8
53.22978	0.7
53.77310	0.7
55.01870	8.7
55.05515	13.0
57.07071	5.1
57.71051	0.6
57.94040	0.7
59.04984	1.0
67.05505	25.4
67.11671	0.7
69.03425	1.7
69.07073	14.5
71.04963	1.7
71.08627	1.4
71.51308	1.5
79.05492	17.1
81.07056	62.4
83.04984	4.5
83.08609	5.6
85.06541	1.8
91.05474	11.6
93.06481	1.2
93.07047	17.4
95.04957	2.2
95.08607	27.4
97.06551	3.6
97.10181	0.7
97.28876	0.8
99.08095	2.0
101.09647	0.8
105.07031	14.7
105.07694	1.2
107.08586	13.8
108.07343	0.8
109.06524	16.7
109.10152	13.7
111.04440	18.9
111.08053	2.1
117.07030	2.1
119.08582	18.1
121.10152	13.8
123.08057	6.2
123.11681	6.3
125.05998	6.7
125.09570	0.8
126.48846	0.7
127.11201	0.9
128.06229	0.9
129.06999	1.2
131.08562	3.1
133.06500	0.9
133.10141	15.4
135.08046	9.7
135.11688	7.2
137.05980	100.0
137.09621	2.9
137.13258	5.2
138.06712	0.8
139.07518	0.9
142.07782	2.1
143.08533	4.2
145.10135	2.8
146.07242	1.1
147.08139	3.8
147.09105	0.9
147.11687	18.9
149.09641	6.1
149.13249	4.6
149.14342	0.7
151.07564	4.0
151.11206	3.9
151.14874	2.0
156.09357	0.8
157.10144	4.7
159.08109	0.8
159.11716	2.0
160.08870	1.6
161.05989	1.0
161.09625	16.9
161.13271	8.6
163.11168	4.3
163.14821	2.6
165.09122	3.2
165.12727	2.0
171.04413	1.0
171.11682	2.0
173.09671	1.0
173.13304	1.3
175.11191	15.3
175.14830	3.3
177.12732	1.4
179.10641	4.3
185.13245	1.4
189.12659	3.6
189.16420	1.4
191.14308	1.2
193.12268	3.6
203.14438	1.3
203.17960	19.7
205.19527	2.6
213.16403	7.0
221.19031	5.7
231.17444	20.1
231.20908	4.6
249.07416	2.5
249.14607	1.0
249.16273	1.2
249.18555	18.3
249.22169	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	249.2216
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
51.82562	1.6
53.03955	2.5
55.01873	3.4
55.05514	22.2
57.03443	3.2
57.07076	25.1
64.20541	2.0
65.03931	2.6
67.05507	50.4
69.07068	17.1
69.80066	9.2
71.04990	2.1
71.08630	7.3
79.05504	23.9
81.07062	100.0
83.04970	2.6
83.08650	9.1
85.06527	8.8
85.10181	6.0
91.05495	19.8
93.07050	29.5
95.04980	4.7
95.08611	88.9
97.06532	7.5
97.10155	5.0
99.08089	8.5
105.07047	28.4
107.08601	23.0
109.06501	4.9
109.10168	35.9
111.08079	9.1
113.09643	6.7
117.06999	2.8
118.63923	1.8
119.08572	18.7
121.10169	14.1
123.08067	5.7
123.11713	15.6
125.09687	2.3
133.10133	19.6
135.11729	18.0
137.05981	2.7
137.09619	5.5
137.13255	11.7
147.11694	20.9
149.13306	9.2
151.11230	2.8
151.14807	13.7
161.13268	14.8
163.14862	4.1
165.16418	4.8
175.14861	9.9
182.51933	1.7
189.16383	5.2
191.17950	3.4
193.12239	10.4
193.15933	2.2
194.58725	2.0
199.20940	1.8
205.19576	2.5
207.11931	2.5
231.17635	2.0
231.21098	46.2
249.14648	3.1
249.16399	3.4
249.18544	21.1
249.22156	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2215
Annotation	Heptadecatrienal
Peak:m/z	Relative Intensity
53.03942	2.1
55.05515	18.2
57.07079	20.0
57.94372	1.7
65.68134	1.6
67.05508	52.6
69.07078	19.2
69.80082	9.7
71.04975	4.7
71.08631	7.0
79.05493	24.5
79.24226	1.6
81.07061	100.0
83.05000	2.7
83.08619	12.5
85.06556	8.5
85.10178	8.1
91.05483	21.5
93.07050	27.3
95.04964	3.3
95.08614	94.7
97.06528	8.4
97.10165	5.4
99.08092	7.5
105.06390	2.9
105.07041	30.2
105.07761	2.1
107.08614	21.3
109.10160	44.2
111.08071	11.7
111.11662	1.9
113.09683	8.8
119.08583	23.5
121.10155	22.4
123.08067	7.1
123.11699	17.8
125.09656	3.1
127.11181	3.6
133.10114	25.9
135.11716	17.8
137.09572	2.1
137.13289	15.2
145.10161	2.1
147.11679	26.3
149.13258	12.3
151.11147	3.6
151.14832	18.5
153.12685	2.4
157.10045	1.9
157.88573	1.6
161.13249	14.1
163.14833	7.4
165.16405	7.9
167.14302	2.2
172.17117	1.9
175.14842	9.6
189.16437	3.9
191.18024	3.8
192.09164	1.8
203.06320	1.5
203.17969	2.7
205.19539	2.8
207.11697	2.7
217.85356	1.7
219.11852	2.6
221.13277	2.0
231.21083	59.7
232.21478	2.5
234.14061	2.8
249.07658	2.2
249.12314	2.3
249.16325	8.2
249.18517	4.0
249.22163	94.3
263.86411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.05017	0.4
57.03438	1.1
60.04520	0.5
61.02915	0.9
69.03433	3.5
70.06592	4.2
71.01376	0.4
71.04979	0.6
71.18223	0.4
71.50404	0.6
72.08144	2.1
73.02921	0.4
74.06089	0.3
79.05461	0.5
81.03421	1.7
84.04535	0.4
84.08149	1.2
85.02911	17.5
86.09714	1.0
88.07634	100.0
89.07983	0.5
97.02902	3.8
98.97564	0.9
98.98470	21.6
99.04475	0.4
102.05535	0.5
103.03957	0.5
104.30992	0.4
107.04959	2.9
109.02888	1.5
110.07170	0.7
116.99502	0.6
127.03922	3.1
129.10226	0.6
131.03427	0.7
136.06219	2.4
136.07561	0.5
145.04988	1.6
151.05771	0.7
174.99252	0.8
226.96336	0.9
244.97473	1.1
250.07175	0.5
250.10818	0.6
250.12836	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61599	0.6
55.05503	0.9
55.93516	0.8
56.05037	0.6
56.96578	1.0
57.03435	1.6
60.04534	0.7
61.02916	1.2
69.03431	4.3
70.06597	6.1
71.50370	0.7
72.08148	3.4
72.93791	1.5
73.02902	1.2
74.06072	0.8
81.03414	2.2
81.07056	0.7
84.04499	0.7
84.08146	1.7
85.02910	20.8
86.09716	2.4
88.07633	100.0
90.94836	0.7
91.05489	0.8
95.04990	0.6
97.02903	5.2
98.97626	1.3
98.98468	41.9
99.04411	0.7
102.05552	1.3
107.04944	5.1
109.02902	2.8
110.07178	1.8
116.98720	0.6
116.99505	0.6
120.08134	1.2
121.02989	0.6
127.03930	4.2
129.10225	0.7
131.03441	0.8
136.06201	2.1
145.05009	1.6
147.04422	0.7
150.05495	1.5
151.05893	1.6
152.05576	0.6
153.01759	0.5
159.83739	0.6
174.99258	1.1
194.97446	0.8
220.05019	2.2
226.96474	1.1
244.97513	3.0
250.11028	2.6
250.14754	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17710	1.0
52.64836	1.1
55.01879	1.4
56.05030	1.2
56.94303	2.6
56.96560	8.7
57.03427	4.5
57.28793	1.0
58.99861	2.9
61.02655	1.3
61.02932	19.1
61.82498	1.3
62.98252	5.5
65.72068	1.3
69.03429	2.8
69.35344	4.1
69.35765	4.8
70.98131	3.2
70.99855	3.8
71.04992	1.2
72.08160	1.8
72.93791	3.5
73.01420	1.5
73.02913	2.4
82.01450	33.4
84.96036	1.2
85.02908	8.2
89.00868	2.8
91.02440	1.7
93.57506	1.1
95.17543	1.2
97.02882	4.1
98.97591	8.6
98.98473	19.1
99.04427	1.4
100.02486	34.7
101.00870	3.7
101.99752	1.2
103.73399	1.3
104.05273	3.0
104.99258	2.1
108.97791	1.2
109.02886	2.3
110.01284	1.5
113.00854	1.7
113.96410	5.0
115.02434	1.9
116.98631	2.1
118.03541	7.6
119.01899	3.1
120.00708	1.3
123.00269	1.9
124.95483	2.9
126.98798	17.1
127.01540	1.1
127.03941	2.3
128.98610	3.4
131.01907	2.5
132.00764	4.4
132.95801	2.3
133.03471	2.5
134.03374	1.3
135.48106	1.2
136.06195	19.2
139.01503	2.2
141.00278	1.2
141.01285	3.7
142.96567	1.8
143.01884	2.3
144.99831	18.6
145.03456	2.5
146.99600	2.1
147.01398	1.5
148.02028	5.7
150.00432	2.9
150.01830	3.9
150.05901	1.3
154.98268	7.1
157.02570	11.7
159.01387	2.3
161.01096	1.3
161.05591	5.7
161.06708	1.2
168.01436	14.9
170.06033	3.5
172.97874	1.4
172.99327	35.4
173.00870	2.3
173.03082	1.0
174.96918	1.8
174.99274	2.0
175.02594	1.5
176.93437	2.0
177.02425	8.3
177.03789	1.4
177.99834	4.2
181.95326	1.2
186.99356	1.4
187.00829	5.9
188.97098	1.4
191.00380	10.3
191.02109	3.0
193.00258	1.4
196.00932	100.0
196.10449	1.2
197.01268	2.0
201.00743	1.4
201.02446	1.3
205.00244	1.8
205.01932	8.1
206.02324	1.4
210.02513	3.1
214.01985	23.7
219.02419	1.3
219.07083	3.5
227.95969	1.5
228.03537	41.2
229.03792	1.7
246.04552	3.0
251.05067	1.7
251.13809	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80515	0.2
53.03970	0.4
54.45261	0.3
55.05519	0.7
56.05050	0.3
56.96570	0.9
60.05641	0.4
65.03961	0.3
67.05493	0.4
69.03432	0.4
70.06596	2.0
71.05000	0.3
71.50931	0.5
72.08163	4.7
77.01617	0.5
79.05495	0.5
79.38826	0.2
81.03418	0.3
81.07050	0.4
84.08138	1.6
86.09715	1.0
91.05471	0.7
97.02914	0.3
97.07645	0.6
98.06055	0.4
98.89169	0.3
98.98473	100.0
105.07033	0.4
107.04963	5.4
108.05279	0.5
110.07147	0.7
111.04444	0.3
112.08811	0.3
114.10299	4.6
115.05450	0.5
115.08703	2.8
116.07121	0.3
116.99519	1.1
117.06983	0.6
121.02878	32.7
121.03900	1.0
129.07010	0.7
129.10268	0.6
131.04887	0.3
136.06165	2.3
137.05998	0.6
138.05499	0.4
145.06528	0.5
147.04396	0.5
152.04668	0.3
157.06482	0.9
171.04449	0.8
172.97545	0.3
173.05952	0.3
174.99242	2.6
189.05508	0.8
191.07031	0.8
191.11786	4.9
192.10204	7.8
202.14146	0.3
205.08543	0.6
214.98643	0.4
232.99664	0.3
233.08005	0.6
234.12343	5.0
251.00076	0.5
251.04924	0.5
251.09305	0.6
251.15019	19.6
252.15662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
54.40100	0.4
55.00106	0.4
55.01873	0.6
55.05517	6.2
57.07071	1.1
63.50729	0.4
65.03939	0.9
67.05510	36.7
69.07071	5.2
71.04990	1.0
71.51103	0.5
71.63177	0.5
72.31087	0.4
79.05501	12.0
79.05962	0.6
81.07061	37.0
83.04970	0.9
83.08627	6.0
85.02860	0.4
85.06522	0.6
91.05492	6.5
93.07050	11.9
95.04984	1.0
95.08614	34.6
97.06548	3.3
97.10179	2.2
98.98473	100.0
99.08116	0.9
105.07038	3.9
107.08607	8.5
109.06539	1.0
109.10164	15.1
111.08090	2.6
116.99519	1.7
117.07009	1.1
119.08586	3.3
121.06533	0.6
121.10151	11.0
123.08066	1.0
123.11697	5.1
125.09663	1.1
127.07604	0.5
131.08588	1.7
133.10139	5.8
135.08015	0.7
135.11694	7.2
137.09631	1.7
137.13284	1.9
140.01125	0.8
145.10104	2.5
147.11688	1.6
149.09628	0.9
149.13318	2.1
151.11226	2.1
159.11725	1.9
163.11180	1.0
165.07001	0.6
167.10764	0.8
173.13289	1.0
174.99245	4.1
177.12769	0.5
187.14903	0.5
191.17967	0.9
195.13789	1.2
199.08885	0.5
209.09557	0.6
215.17950	5.2
233.19031	3.9
251.17804	0.8
251.20091	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	251.2007
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03940	1.1
55.01885	0.5
55.05516	6.0
57.03437	0.8
57.07059	1.5
65.03943	1.1
67.05511	33.5
69.07078	5.7
70.06587	0.5
71.04998	0.6
71.26782	0.7
71.76975	0.4
79.05499	10.1
81.07063	31.4
82.07423	0.5
83.04993	1.1
83.08624	4.1
85.06579	0.4
91.05489	5.7
93.07053	11.0
95.04993	0.8
95.08614	27.4
97.06541	3.1
97.10204	2.0
98.98473	100.0
99.08090	1.1
105.07040	4.0
107.08607	7.3
109.06522	0.7
109.10166	14.0
111.08102	2.1
113.09669	0.5
116.99506	1.9
117.06983	0.9
119.08585	3.4
121.06505	0.6
121.10153	8.3
123.08052	1.1
123.11716	3.6
125.09689	0.9
131.08562	1.5
133.10146	5.8
135.11713	4.8
137.09630	1.6
137.13304	0.9
140.01125	0.7
145.10167	2.2
147.11723	1.5
149.13258	2.6
151.11214	2.4
159.11760	1.8
163.11234	0.7
165.12796	0.5
173.13300	1.3
174.67393	0.5
174.99274	2.4
177.05692	0.5
179.21111	0.4
191.14355	0.4
191.17967	0.5
193.10045	0.5
195.13834	0.5
209.13235	0.5
215.17993	4.1
215.53610	0.5
233.18999	2.8
251.04781	0.7
251.10625	0.7
251.16537	2.1
251.20053	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	251.2007
Annotation	Methyl farnesoate
Peak:m/z	Relative Intensity
53.03946	1.6
55.01878	1.0
55.05515	7.1
57.03443	0.6
57.07079	1.3
59.05013	0.6
64.68943	0.5
65.03928	1.3
65.55333	0.4
66.08405	0.4
67.05511	32.3
69.07076	6.8
71.02864	0.6
71.03175	0.5
71.05000	1.2
79.05499	15.0
81.07065	30.5
83.04993	1.4
83.08624	8.0
85.06562	0.9
91.05489	7.3
91.18674	0.5
93.07052	14.6
95.04973	2.0
95.08616	27.1
95.49044	0.5
97.06530	4.2
97.10188	2.3
97.78569	0.5
98.21220	0.8
98.98473	100.0
99.08083	1.6
103.05447	0.5
105.07036	3.4
107.04984	0.8
107.08600	9.2
107.09285	0.6
109.06534	1.2
109.10168	11.9
111.08086	3.8
115.05473	0.6
116.99529	1.4
117.07032	1.2
119.08587	3.0
121.10154	13.7
121.11044	0.8
123.08104	1.4
123.11732	4.2
125.09642	1.5
129.07025	0.9
131.08580	2.1
133.10155	8.9
135.11702	7.5
135.19958	0.6
137.09654	2.4
137.13290	1.2
139.11224	1.3
145.10156	1.7
147.11696	1.7
149.09732	0.7
149.13268	2.9
149.48537	0.6
151.11192	2.6
152.06221	0.5
153.07086	0.8
157.06584	0.7
159.11708	1.8
163.11186	1.2
165.12836	0.7
173.13225	1.2
174.99265	2.9
177.05508	0.9
181.12195	0.7
187.14828	1.2
191.07040	0.7
191.08525	0.8
195.08141	0.8
205.08762	0.5
215.17947	6.2
223.07494	1.1
233.15347	0.8
233.19008	3.5
251.07051	1.2
251.10889	2.2
251.14299	0.8
251.17752	0.8
251.20090	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	251.2371
Annotation	(+)-12-(2-Cyclopenten-1-yl)-2-dodecanone
Peak:m/z	Relative Intensity
53.03946	0.9
55.05516	17.8
57.03442	1.1
57.07082	6.8
59.04991	0.6
65.03950	0.7
67.05513	20.3
69.07073	23.6
71.05000	1.2
71.08627	4.3
78.37797	0.5
79.05502	10.7
79.64426	0.5
81.07063	25.0
83.04993	1.0
83.08623	19.0
85.06576	1.2
85.10186	1.5
91.05492	2.1
93.07053	14.5
95.04974	1.0
95.08614	22.2
97.06541	6.7
97.10176	12.3
98.98474	100.0
99.08097	1.0
105.07034	1.3
107.08603	9.3
109.06491	0.7
109.10172	9.1
111.08100	5.1
111.11739	4.5
113.09686	0.5
116.99532	1.4
119.08549	0.8
121.10159	18.1
123.08054	0.7
123.11720	3.8
125.09676	1.9
129.07057	0.6
131.08588	0.7
133.10156	0.8
135.11702	14.3
135.12723	0.9
137.13269	3.6
139.11205	1.4
140.01035	1.3
141.12756	0.5
149.13242	5.7
151.14854	2.3
155.14319	1.2
163.14839	2.3
174.99274	3.6
177.16402	1.1
191.17987	1.1
205.98857	0.8
211.47473	0.5
233.22658	14.0
251.04793	0.7
251.18069	0.8
251.20105	0.8
251.23724	27.5
252.11595	0.7
261.93127	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01862	1.7
55.05523	2.7
55.93520	1.0
56.05028	1.4
56.96568	24.7
57.03438	4.1
60.04516	0.8
60.05641	1.1
61.02929	6.7
67.05518	0.6
69.03433	15.4
69.07055	0.6
69.91244	2.3
69.91612	1.1
70.06591	8.6
70.95855	1.3
70.98105	1.1
71.04979	2.1
71.95238	0.7
72.08159	10.5
72.69935	0.5
72.93779	2.5
73.02921	10.9
74.06075	1.1
74.95351	0.6
76.17102	0.6
79.05500	0.8
81.03420	3.9
83.04999	0.8
84.04491	2.4
84.08147	10.1
84.96055	2.9
85.02906	14.3
85.08453	0.6
86.03247	0.8
86.09711	5.9
87.04458	1.9
88.04003	1.1
88.99107	0.7
89.00774	0.7
90.01530	0.6
90.94833	1.2
91.03972	0.9
91.05457	1.1
95.01328	3.7
95.04969	1.6
96.04501	0.6
97.02901	9.7
97.96795	1.2
98.01289	0.8
98.03194	0.8
98.97584	23.1
98.98461	10.4
99.04446	1.7
101.00868	2.5
101.02500	0.6
102.96887	0.9
103.00611	1.0
103.05507	0.6
105.02031	0.8
106.06545	0.9
107.04961	5.5
109.02874	5.8
110.01321	0.7
110.03707	3.6
110.07127	1.8
110.97575	10.4
111.02112	0.7
111.04449	2.6
112.07615	0.9
112.08769	1.0
112.99134	1.5
113.02363	7.8
114.05583	0.8
115.00668	0.7
115.02414	0.6
115.08715	0.7
116.07062	1.0
116.98618	6.9
117.05497	2.6
119.01868	4.0
119.03553	1.6
119.04940	1.0
120.02076	0.7
120.08133	1.5
120.97933	0.6
121.01624	1.1
122.99415	0.7
123.04433	2.1
127.02445	0.9
127.03916	4.2
128.02365	1.1
128.98622	8.5
129.10242	5.5
130.02844	0.8
131.00191	1.5
131.01889	2.0
132.95831	4.7
133.01671	0.9
133.03499	0.7
134.05014	0.8
134.06026	14.3
134.99677	1.1
135.03506	0.6
135.04402	3.2
136.06190	100.0
136.07449	3.2
137.04628	0.7
137.05956	1.1
140.98590	1.3
141.01866	1.2
143.00166	1.8
143.01830	1.3
144.01933	0.6
144.95854	1.0
145.01541	0.7
145.03485	1.2
145.04977	1.2
146.02412	1.2
146.03641	1.0
146.99628	3.3
147.04391	3.1
150.96951	1.9
152.98619	0.9
154.94402	0.7
156.02533	0.7
157.01712	0.9
157.54333	1.7
158.99681	2.9
160.06364	0.7
161.01231	1.6
161.02924	1.9
161.54872	1.1
162.03552	1.3
162.05498	8.4
162.09207	1.0
162.97038	1.0
164.07068	1.4
165.03099	8.1
165.05508	1.2
165.53230	0.8
168.98143	2.6
170.05124	1.1
170.55286	1.1
170.99651	2.1
171.01378	0.6
171.04169	2.2
173.01247	0.7
173.02963	0.8
174.03635	10.2
174.53804	0.7
174.99182	1.4
175.53470	0.8
176.53827	0.7
177.00772	1.7
177.04147	1.1
178.04997	27.8
179.00139	0.7
182.08167	2.4
182.99722	0.9
183.04083	0.9
184.97504	0.7
186.12444	1.2
186.96887	0.8
186.99167	4.1
187.00699	0.8
187.02728	0.9
189.00790	2.4
201.00691	1.4
204.06622	1.0
205.00305	1.2
205.98676	0.7
206.07037	1.8
209.01317	0.8
212.03354	0.8
213.00688	1.0
219.01775	5.3
220.03003	1.0
224.08083	2.6
227.02292	1.0
229.00192	1.5
229.03842	1.3
229.07471	0.6
230.95816	0.7
230.98073	1.6
234.07646	1.1
234.99083	1.1
235.04820	0.6
237.02757	3.5
239.02228	0.8
247.01144	0.7
248.98987	2.0
251.66855	1.0
251.99605	0.7
252.03827	2.9
252.08662	10.2
252.12732	4.1
253.16711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54700	0.5
56.05019	0.5
70.02955	0.8
70.13567	1.8
73.81548	0.4
87.00815	3.2
91.05479	0.7
93.07047	1.1
98.20900	0.5
98.98460	1.2
103.05479	7.3
118.06557	9.8
119.52711	0.6
120.08117	100.0
122.70517	0.6
128.04968	1.8
144.08073	0.7
146.06020	18.3
149.37091	0.5
166.08658	1.7
188.07088	20.6
188.08788	1.0
192.06653	1.3
206.08147	57.8
208.32619	0.5
234.07607	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1093
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
52.05465	0.2
55.61043	0.2
56.64215	0.2
57.03436	0.3
69.03423	0.3
70.03936	1.0
71.04975	0.6
73.02914	1.0
81.03437	0.3
84.56184	0.3
94.04050	0.6
99.04435	1.1
117.05477	2.0
119.03542	1.3
120.53554	0.2
136.06190	100.0
137.04605	0.5
137.06522	0.9
232.41348	0.2
252.10924	1.6
265.30035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.9513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17317	5.4
54.77470	5.8
59.05433	5.6
59.97570	6.3
70.41412	19.1
85.21268	4.9
94.93018	47.1
98.97557	8.8
107.86626	5.8
108.37313	5.2
110.07151	11.4
120.94546	78.9
136.06200	100.0
136.07294	8.7
136.07648	8.2
137.06531	18.0
148.94044	47.0
160.93857	6.2
189.08859	5.9
192.91299	8.7
192.93008	77.2
193.65979	5.1
198.36372	5.8
252.95143	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	253.1186
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
53.30201	0.4
56.43814	0.4
60.04532	61.1
61.72267	0.4
69.07086	0.5
70.02957	0.8
70.06585	1.4
70.67745	1.3
78.09149	0.4
81.04556	1.2
84.08147	0.7
84.18156	0.4
86.09649	0.5
87.05611	2.3
91.05511	0.7
93.07039	1.1
98.71332	0.5
98.98479	20.8
103.05467	3.7
105.07030	0.6
107.04955	1.3
110.07163	2.3
120.08115	100.0
121.08404	0.8
122.07175	1.0
124.08742	1.5
131.04907	2.5
132.08096	0.9
134.09691	0.5
135.76407	0.5
136.06232	2.3
137.06650	1.0
144.08076	2.8
149.05978	1.6
160.07558	0.6
162.09149	3.1
166.08652	58.5
167.98323	0.5
207.11292	15.3
225.17180	0.9
235.10718	3.8
253.11842	9.4
253.16643	1.7
253.40277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1186
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
53.03954	0.3
55.01872	0.4
55.93530	0.3
56.96569	2.2
57.03424	0.6
57.07063	0.3
57.95611	0.2
58.25736	0.2
60.04517	0.8
61.02927	0.7
67.05491	0.3
69.03434	1.7
69.07058	0.4
70.04860	0.8
70.06596	1.4
70.95874	0.3
71.04980	0.3
71.95259	0.3
72.08141	0.4
72.93797	0.6
73.02904	0.6
74.06062	0.3
74.65601	0.2
77.03938	0.3
79.05473	0.4
81.03419	0.9
81.04541	0.3
81.07046	0.3
83.06085	0.2
84.04513	0.4
84.08142	1.7
84.96046	0.3
85.02899	2.2
86.09706	0.8
87.04485	0.3
88.03975	0.6
90.94831	0.4
91.05486	0.9
93.07048	1.9
94.95218	0.2
95.04952	0.5
95.08563	0.2
97.02890	2.0
98.06055	0.7
98.97604	3.5
98.98470	29.6
99.04436	0.5
100.98916	0.4
101.00902	0.4
103.05470	6.2
105.04447	0.2
106.05026	0.7
107.04961	4.0
108.05322	0.2
109.02890	1.0
110.07168	2.9
110.97591	0.7
112.07622	1.9
113.96410	0.3
116.52223	0.2
116.98633	1.2
116.99422	0.4
118.05819	0.2
118.06599	0.3
119.01917	0.7
119.04943	0.3
120.08111	100.0
121.08459	0.8
124.78271	0.2
127.03929	0.9
128.98613	0.6
129.10231	0.8
130.08636	0.7
131.01949	0.6
132.08107	0.5
132.95868	0.8
134.99736	0.3
136.06195	6.6
136.07564	0.9
137.06677	4.8
141.05527	0.5
143.00180	0.5
144.08078	0.4
144.95877	0.4
146.99612	0.5
147.04430	0.3
150.05559	0.4
155.01959	0.3
156.03323	0.4
156.07683	0.5
157.03491	0.3
158.06641	1.2
158.97391	0.5
158.99637	0.5
159.40932	0.2
160.06410	0.4
161.02972	0.5
162.96910	0.3
165.05540	0.4
166.08614	0.4
167.01917	0.3
168.93484	0.3
170.06668	0.4
170.97380	0.3
170.99706	0.3
174.99210	0.7
176.07675	0.5
177.00752	0.3
185.03006	2.0
186.96860	0.3
188.07678	0.7
191.03851	0.5
194.97284	0.2
197.11751	0.4
198.00601	0.4
201.00813	0.4
203.03970	0.4
207.11232	0.6
212.07712	2.6
219.01726	0.5
221.04909	0.3
227.10693	0.6
230.03589	0.3
230.08740	1.5
234.99030	0.8
235.02753	0.5
235.11760	0.7
237.02710	0.4
245.11630	0.3
248.99193	0.4
252.95590	1.1
253.11842	2.7
253.15851	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2163
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03945	2.2
55.01868	1.2
55.05514	22.6
57.03432	1.4
57.07077	6.9
67.05509	26.2
69.03416	1.2
69.07075	31.4
69.84964	1.6
69.85390	3.2
70.06549	1.2
71.04984	3.3
71.08636	1.0
76.10069	0.8
76.14275	0.7
79.05493	12.5
81.03419	2.3
81.07061	33.0
83.04967	2.0
83.08623	22.9
83.75185	0.9
85.06536	3.1
85.10164	1.2
91.05486	10.3
93.07050	13.4
95.04992	1.7
95.08611	30.4
96.82761	0.8
97.06527	6.1
97.10176	15.0
98.21169	2.7
98.98472	100.0
99.04433	1.0
99.08090	3.4
100.98848	0.9
105.07038	11.8
107.04973	4.4
107.08606	11.7
109.02884	3.1
109.06544	1.9
109.09477	1.1
109.10172	15.0
111.08102	4.0
111.11740	5.7
113.09666	0.8
116.99493	1.0
117.07085	0.9
119.08595	9.3
121.06514	0.8
121.10147	13.9
123.04414	1.4
123.08083	1.5
123.11689	6.0
125.09625	2.2
125.13245	1.2
129.06961	0.9
133.10143	11.4
135.11699	13.6
137.09625	2.4
137.13232	4.3
139.11188	2.6
147.11679	8.5
149.13255	2.6
151.11159	2.9
151.14819	2.8
152.06232	1.3
153.12737	2.6
154.07726	1.3
155.08543	1.9
159.04379	1.0
161.13309	6.6
163.14848	1.0
164.97493	0.9
165.07047	5.2
165.12746	2.9
167.08548	1.0
169.10100	1.2
174.99274	1.9
175.14828	3.6
176.98970	1.1
179.14365	2.6
181.06479	1.2
182.07285	1.8
191.18004	1.2
193.06418	1.3
193.15944	1.0
193.19499	2.6
197.09712	1.2
207.08014	1.0
210.06717	2.8
217.19525	15.9
221.06099	1.7
221.08092	0.9
225.09129	3.5
235.07648	1.2
235.17020	1.1
235.20599	9.5
253.05008	1.0
253.08678	13.6
253.19392	2.6
253.21664	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	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.4
55.05510	1.0
56.96568	3.1
57.03443	5.3
58.10789	0.8
61.02919	2.6
69.03439	5.3
70.06591	0.9
70.85879	1.9
70.99879	1.0
71.01360	0.9
72.08146	0.9
73.02930	5.2
78.03443	1.2
80.05045	2.3
83.06094	1.6
84.08126	1.2
84.96056	1.0
85.02910	6.2
87.04452	1.0
87.76765	0.9
96.04517	1.4
97.02895	4.3
98.97579	3.5
98.98478	11.2
101.00896	3.2
103.02486	0.9
104.96428	1.2
106.02926	7.4
110.07178	20.4
110.97540	1.1
113.00838	1.2
113.02311	1.0
115.02446	2.4
115.03939	1.3
116.98700	1.7
119.01941	2.2
122.94360	1.6
123.05563	100.0
124.03969	7.9
126.98803	2.3
127.03931	1.5
131.01917	1.9
132.95827	1.0
133.04994	3.0
143.01926	1.4
144.99841	6.1
145.03468	1.4
155.01984	1.0
156.07677	7.0
163.00749	1.0
171.01317	1.0
172.99336	1.4
173.02975	2.0
177.02469	1.5
177.03996	1.0
185.03041	1.6
187.00822	2.0
189.00681	0.9
191.00352	1.1
205.01823	1.1
209.13885	1.3
233.01607	1.5
235.27390	1.0
237.13379	1.3
245.05304	0.9
248.27884	0.9
251.02524	2.6
254.95018	1.1
255.03868	1.4
255.06468	3.4
255.09923	1.5
255.14607	4.2
256.02994	3.2
274.03998	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0652
Annotation	Densiflorol B
Peak:m/z	Relative Intensity
55.01864	1.3
57.05875	0.5
61.83235	0.5
62.70527	0.5
68.99762	1.7
69.72881	3.6
69.75376	0.5
81.03400	0.6
81.07059	0.8
91.05490	3.0
91.38994	0.6
98.20939	1.5
98.21496	1.0
98.98467	5.7
105.07031	0.8
107.04964	0.8
107.08628	0.8
111.00795	1.1
115.05459	2.0
119.04929	2.2
127.03896	1.0
128.06255	1.1
129.06970	1.4
131.04924	1.5
131.08565	0.5
133.10123	0.7
139.05418	2.8
141.06979	2.0
143.04962	1.0
147.11664	0.6
150.65456	0.5
152.06207	1.4
153.06989	2.8
155.08548	1.2
156.05676	1.1
157.06493	3.7
159.08040	0.8
159.11699	0.9
161.06007	5.5
165.07010	4.0
167.04918	2.1
167.08586	0.9
168.05722	4.0
169.06432	3.4
169.10173	0.7
171.04390	52.3
171.05556	5.5
171.07938	1.3
171.11539	0.6
173.13203	0.7
181.06418	6.2
184.05179	4.0
185.05986	2.1
195.04353	12.5
195.08076	2.1
197.06049	4.5
197.13258	0.6
199.07545	2.4
209.05962	2.6
210.06746	1.3
212.04686	14.0
223.03920	33.8
223.07132	3.4
224.08316	1.2
226.06242	1.6
227.06995	48.5
228.07278	0.8
237.05449	1.2
240.07753	1.6
255.06529	100.0
255.10095	5.8
255.17490	1.9
255.21046	1.8
256.06827	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0654
Annotation	7758-73-8
Peak:m/z	Relative Intensity
53.70780	0.3
54.78003	0.3
55.05497	1.0
57.03425	1.1
60.11356	0.3
61.60965	0.2
67.05499	2.2
69.07064	0.9
69.60989	2.1
71.04975	0.3
79.05488	1.8
80.70503	0.2
81.03417	0.6
81.07049	0.9
83.04979	1.0
85.02921	0.3
89.70229	0.3
91.05486	1.3
93.07053	1.9
95.04984	0.5
95.08588	0.5
97.06511	0.7
97.10174	0.3
98.48824	0.3
98.98470	4.6
107.04958	0.7
107.08601	1.3
109.10155	0.5
111.04443	0.5
115.05436	0.4
117.07043	0.4
119.04951	0.4
119.08562	0.6
121.10157	0.3
127.03938	0.5
128.06216	3.3
129.06978	0.5
131.04919	0.8
131.54680	0.3
133.10069	0.3
134.39494	0.3
135.11723	2.6
139.05460	0.8
140.06201	0.4
141.06982	0.9
143.08607	0.7
145.10138	0.8
149.86864	0.3
152.06184	0.7
153.06989	0.7
155.04955	0.8
156.05714	13.4
159.11673	0.4
165.07037	0.6
167.04964	1.1
167.08566	0.8
168.05724	9.4
169.06479	1.2
171.04442	0.8
171.08086	3.7
177.06923	0.3
181.06537	0.8
183.04378	0.3
184.05209	44.3
185.05949	2.1
195.04448	1.2
195.08092	1.3
196.05205	0.7
197.06009	1.1
198.06779	1.9
199.07564	9.1
201.04796	0.3
209.05981	0.4
212.04691	10.6
213.05418	0.3
213.16377	0.3
223.07521	1.0
224.08310	0.5
225.05472	0.5
227.07042	100.0
228.07301	1.6
240.07828	0.9
255.06538	97.8
255.10014	3.7
255.21114	1.0
256.06937	2.1
264.76291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0654
Annotation	7758-73-8
Peak:m/z	Relative Intensity
53.50108	0.4
55.01859	0.5
55.05503	1.3
57.03435	0.8
59.10855	0.6
61.72161	0.5
67.05505	1.6
68.99789	0.6
69.03426	0.7
69.07069	0.9
69.85617	1.1
69.86032	1.8
71.05000	0.7
74.25958	0.4
74.97202	0.4
81.03416	2.4
81.07043	1.6
83.04976	1.9
85.02896	0.8
91.05482	4.1
93.07059	1.1
95.04967	0.9
95.08615	1.3
96.04539	0.4
97.02901	0.4
98.21421	0.6
98.98475	8.6
99.04516	0.7
100.98821	0.5
101.66994	0.4
101.75935	0.4
103.05483	0.4
105.07029	1.4
107.04971	1.3
107.08569	0.7
109.02880	0.9
109.06577	0.5
109.10190	0.9
111.04465	0.9
117.73038	0.4
119.04955	2.2
119.08572	1.1
121.06419	0.6
125.02333	0.7
127.03927	1.7
128.06212	2.4
129.06996	0.6
131.04944	1.3
131.08545	0.9
133.10115	0.6
135.11736	0.5
137.05939	1.2
139.05437	1.0
141.06989	1.3
142.16884	0.4
143.08585	1.3
145.10143	1.1
147.11717	0.7
151.03922	0.7
152.06255	1.1
153.05467	0.6
153.06958	0.6
154.07828	0.5
155.04909	1.1
155.08473	0.5
156.05707	14.0
156.09404	0.8
157.06465	0.5
157.10156	1.4
159.11716	1.3
165.05618	0.6
165.07011	0.5
167.04962	0.9
167.08585	1.3
168.05731	8.9
169.06497	2.1
171.04376	0.7
171.08083	4.5
171.11707	1.4
173.13287	1.0
177.07014	1.0
181.06532	1.3
183.04333	0.5
184.05209	42.6
185.05922	1.9
185.09668	0.5
185.13301	1.6
194.07213	0.7
195.04419	2.0
195.08066	3.6
196.05272	0.7
197.06033	1.5
198.06709	1.9
199.07559	8.1
199.14871	1.8
209.09744	0.5
212.02698	0.7
212.04706	11.2
212.08241	1.0
213.16391	0.8
223.07559	3.5
224.08305	1.2
227.07040	96.6
228.07396	1.3
237.05180	0.5
237.09103	0.8
238.70889	0.4
240.07820	2.0
255.06534	100.0
255.10117	8.6
255.17471	1.9
255.21072	5.6
256.07089	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01876	3.2
56.05021	0.4
56.94293	0.4
56.96567	4.5
57.03157	0.5
57.03442	6.5
58.99884	0.5
59.04996	0.8
61.02924	4.5
67.05518	0.5
69.03436	4.7
69.07063	0.4
70.06592	2.6
70.65352	1.0
70.65694	0.5
70.98135	0.6
70.99836	0.5
71.01348	1.2
71.04980	0.9
72.08154	1.4
72.93788	1.1
73.02921	4.3
74.06078	1.0
75.11267	0.5
78.03453	1.3
80.05018	3.1
81.03410	1.1
82.99850	0.7
83.01343	0.5
83.05021	0.6
83.06112	0.8
84.08139	2.0
84.95995	0.5
85.02908	6.9
86.09712	6.8
86.95305	0.4
87.04472	0.9
90.94809	0.6
93.04525	0.6
95.01351	0.5
96.04501	0.6
97.01425	0.9
97.02894	4.3
97.06566	0.6
98.06102	0.5
98.97585	2.8
98.98470	4.1
99.04420	0.6
101.00893	4.2
104.96372	0.5
106.02925	7.8
107.04943	0.5
109.02856	0.8
110.07169	7.2
110.97627	0.7
111.02940	0.6
112.07637	0.6
113.00868	0.9
113.96455	0.5
115.00650	0.6
115.02443	2.2
115.03921	1.8
116.98651	1.1
118.03544	0.8
118.53172	0.5
119.01160	0.5
119.01942	7.0
121.01693	0.8
123.05560	100.0
124.03938	0.9
124.05914	0.9
126.98779	1.3
127.02382	0.4
127.03924	1.0
129.10265	1.2
130.97955	0.5
131.01912	2.6
132.27946	0.4
132.95848	1.2
133.03499	1.4
133.04955	2.4
134.06108	0.5
137.02956	1.2
143.01910	1.4
144.95818	0.4
144.99806	2.4
145.03499	1.2
145.05003	0.7
147.01384	0.5
147.05090	0.7
148.18706	0.4
153.05794	0.7
155.01854	1.1
156.07692	3.4
158.93748	0.5
158.99689	0.5
159.05060	0.8
160.56389	0.5
160.98949	0.4
161.02983	1.0
161.06610	0.9
162.06358	0.6
162.96878	0.5
171.01427	0.5
171.05101	0.6
172.99358	0.6
173.02992	1.6
174.04590	0.7
177.00890	0.6
177.02438	1.1
183.97258	0.4
185.02962	1.4
186.09758	5.6
187.02748	0.8
187.04498	0.8
189.02458	0.7
189.04103	0.5
190.94859	0.6
191.00418	0.7
197.06664	0.8
201.00931	0.7
203.00363	0.5
203.03908	0.5
204.10851	1.8
213.00485	1.3
214.09229	6.7
215.07745	0.6
227.04091	0.6
230.98122	0.5
232.10326	13.3
233.01462	1.9
234.98956	0.5
237.13564	0.7
243.05417	0.8
245.05103	1.3
248.89288	0.4
248.99245	0.5
249.99664	0.8
251.02451	2.2
255.04651	1.4
255.06776	1.2
255.14554	1.2
256.03018	2.8
274.04117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
57.03435	3.9
58.80290	0.4
59.99308	0.4
60.96497	0.5
61.02925	1.5
64.11913	0.4
69.03432	1.9
69.85336	2.3
71.01360	0.7
73.02914	2.2
78.03468	1.2
80.05014	2.2
85.02909	2.9
96.04497	0.7
97.02888	0.8
98.21400	0.5
101.00884	0.6
103.03989	0.4
106.02917	6.2
110.07162	1.3
115.03925	1.9
119.01883	0.5
122.94365	0.7
123.05564	100.0
124.03987	2.0
126.98831	0.4
133.05025	2.3
143.01965	0.5
144.99855	0.7
155.01926	0.6
190.49702	0.4
195.01315	0.4
205.01851	0.5
245.05080	0.4
255.09543	0.4
256.02917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1018
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.60965	0.4
54.74129	0.4
57.07082	0.6
62.74545	0.4
67.05503	0.7
69.14302	0.4
70.22761	0.6
70.23095	1.3
81.07070	0.4
83.04996	0.5
91.05447	0.8
93.07040	0.4
93.54067	0.3
95.08610	0.5
98.98468	7.7
107.08622	0.5
110.96306	0.4
111.04445	1.1
117.07137	0.4
119.04945	0.4
119.08621	0.4
141.07030	1.2
152.06236	3.0
153.07014	1.6
157.10201	0.6
165.07001	5.0
166.07808	2.3
167.08542	0.9
169.06491	2.9
176.06227	0.7
177.07018	1.6
178.07773	1.8
179.08549	0.6
180.05730	2.6
181.06488	6.7
182.07233	0.9
183.08130	0.6
184.08833	5.0
192.05687	0.5
193.06451	0.7
194.07265	5.8
195.08055	16.6
196.08830	5.8
197.05983	8.9
197.07782	0.6
197.09570	2.8
198.06772	1.1
199.07585	1.0
199.11182	0.7
199.14919	0.5
205.06436	0.8
206.07297	1.5
207.04454	0.9
207.08089	0.6
208.05223	0.8
209.06023	3.2
209.09616	2.8
209.11757	3.5
210.06857	0.4
211.05800	0.4
211.07350	1.9
212.08313	8.5
213.08919	0.6
222.06758	6.3
223.07504	4.1
224.08325	18.1
225.05482	3.8
225.08922	0.5
226.06261	0.7
227.07135	1.1
227.10674	8.7
237.09033	1.5
237.11298	0.9
238.09818	0.6
239.07101	0.6
240.07820	25.4
241.08443	0.8
255.10167	100.0
256.10577	1.8
256.26120	0.8
258.91516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1016
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.33495	0.3
53.22582	0.3
61.92253	0.3
69.71440	1.6
71.85038	0.3
83.19708	0.3
91.05511	0.4
98.98469	1.7
119.26311	0.3
131.59782	0.3
141.06972	0.4
143.08580	0.3
152.06168	2.8
153.07053	0.7
155.04880	0.4
165.07004	3.3
166.07823	0.5
167.08572	3.7
169.06511	3.0
176.06218	0.9
177.07011	4.4
179.08559	0.5
180.05722	1.5
181.06476	9.2
182.07239	0.5
183.08064	0.6
184.05188	1.1
184.08849	0.6
186.11609	0.3
193.06493	1.1
194.07281	1.6
195.08054	8.7
196.08783	0.6
197.05981	19.7
198.06355	0.4
205.06465	1.4
206.07259	0.5
208.05179	4.3
209.05989	11.6
210.06679	1.0
211.07513	2.3
212.04555	0.6
212.08337	2.7
217.77228	0.4
222.06749	1.2
223.07559	1.5
224.08321	33.3
225.05458	14.8
225.08966	0.9
227.10699	0.5
237.09026	0.4
239.07051	0.5
240.07817	42.1
241.08241	0.9
255.10167	100.0
256.10486	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1017
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03959	0.6
55.01877	0.6
55.05503	0.7
63.23652	0.5
67.05496	0.9
69.03431	1.0
69.07058	1.0
70.15342	1.9
77.63351	0.5
79.05482	0.6
81.03435	2.2
81.07040	1.1
83.04975	1.4
85.02894	1.0
91.05429	0.5
93.07028	0.9
95.04955	0.7
97.02866	0.5
97.06522	0.4
98.98474	5.2
105.07030	1.0
107.04955	0.8
107.08590	0.6
109.02882	1.4
111.04488	1.0
119.08612	0.6
121.06527	0.6
121.10162	0.7
127.03898	1.1
133.10147	0.5
135.11693	0.7
141.07008	0.6
145.10158	0.5
152.06184	3.3
153.06966	1.3
160.32019	0.4
165.06992	3.6
166.07814	0.5
167.08586	2.4
169.06497	4.8
176.06200	0.7
177.07019	4.0
178.07692	0.4
180.05724	1.1
181.06473	9.1
181.08310	0.6
181.08638	0.5
184.05211	0.7
185.13332	0.5
193.06494	0.9
193.41948	0.5
194.07301	1.8
195.08046	9.6
196.08853	1.7
197.05989	17.1
205.06535	1.2
208.05200	7.4
209.05972	9.2
210.06760	1.3
211.07532	2.0
212.04820	0.6
212.08308	4.5
222.06795	2.0
223.07565	2.7
224.08336	30.9
225.03296	0.7
225.05489	12.7
225.08916	1.1
227.07048	1.1
227.10698	5.2
237.09184	0.7
240.07825	40.8
241.08400	0.9
255.06760	3.9
255.10184	100.0
256.10599	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
55.05502	1.0
57.07060	0.4
63.10038	0.2
67.05502	0.9
68.98142	0.2
69.03418	0.5
69.07069	0.6
70.06575	0.2
71.04974	0.3
71.51546	0.4
75.04453	0.4
79.05496	0.5
81.03413	0.7
81.07047	1.1
83.04974	0.7
83.08604	0.6
84.04506	1.6
85.02895	0.5
85.06568	0.3
86.09717	0.4
91.05478	0.7
93.07022	0.7
95.04956	0.4
95.08617	0.7
97.06548	0.3
98.98477	4.6
100.11258	3.5
105.07072	0.7
107.04945	0.3
107.08530	0.4
109.02893	0.5
109.06516	0.3
109.10163	0.4
111.04430	0.6
115.05451	0.7
119.08584	0.4
121.06451	0.3
127.03918	0.6
128.06253	0.3
129.07021	0.4
131.04919	1.1
133.10139	0.4
135.11732	0.2
141.06976	1.6
142.07773	0.3
142.12308	0.7
143.08545	0.4
145.10104	0.4
152.06224	3.3
153.06992	2.1
154.07762	1.1
154.12251	1.8
155.08524	0.3
157.06491	0.8
157.10149	0.4
161.06003	5.7
165.07018	5.2
166.07817	1.2
167.08585	4.3
168.05725	0.9
168.13852	0.5
169.06511	5.1
169.10139	0.4
170.11784	0.8
171.08023	0.4
171.11821	0.3
171.14932	5.0
176.06314	0.3
177.05603	0.3
177.06990	1.5
178.07793	0.5
179.08597	1.4
180.05707	2.1
181.06487	7.6
182.07300	2.5
183.08089	2.1
184.05197	1.8
184.08873	1.7
185.05937	0.6
194.07277	2.1
195.08067	12.3
196.08846	8.3
196.10690	0.3
196.13333	0.5
197.05998	11.9
197.09642	2.1
197.13327	0.6
198.06728	0.3
199.07573	1.5
199.11252	0.4
199.14815	0.4
205.06491	1.2
206.07262	0.5
207.08064	0.4
208.05287	1.7
209.05997	2.9
209.09615	0.7
210.06790	2.0
211.07571	2.9
212.04829	0.9
212.08336	15.1
213.08984	0.5
218.28018	0.3
221.06020	0.4
222.06796	1.0
223.07549	8.8
224.08327	10.5
225.05496	3.1
225.09019	2.4
227.07115	3.4
227.10664	8.9
237.05496	0.5
237.09122	5.4
238.06250	0.8
238.09889	5.2
239.07018	2.0
240.07813	11.3
241.08261	0.3
253.08612	3.6
255.06653	4.2
255.10178	100.0
255.20715	2.5
256.08038	0.4
256.10498	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	255.1017
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.03939	0.8
55.01875	0.8
55.05511	2.1
56.96574	0.8
57.03432	3.0
59.30066	0.5
61.85366	0.5
67.05511	4.2
69.03434	2.3
69.07062	1.8
71.04987	0.6
71.50677	0.5
79.05495	3.2
81.03427	3.8
81.06142	0.4
81.07066	3.5
83.04993	3.2
83.08611	0.6
85.02903	0.9
85.06559	0.5
91.05482	3.4
93.07055	4.0
93.47974	0.4
95.01242	0.5
95.04999	1.2
95.08601	1.3
97.02881	1.0
97.06519	0.7
97.10189	0.8
98.97544	0.5
98.97832	0.6
98.98472	8.4
99.04460	0.6
100.98885	0.5
101.66241	0.4
105.07015	1.3
107.04954	1.0
107.08604	2.9
109.02888	1.6
109.06495	0.5
109.10201	1.0
111.04445	1.6
112.87318	0.4
115.05477	0.8
117.06970	0.5
119.04954	0.8
119.08582	1.2
121.06510	0.7
121.10165	1.0
123.04398	0.6
127.03936	1.3
127.54659	0.4
130.16701	0.4
131.04948	0.8
131.08560	0.4
133.10132	0.9
135.08102	0.5
135.11697	4.2
137.05994	0.7
139.07565	0.7
141.07004	0.7
143.08549	1.0
145.10118	0.8
152.06230	2.4
153.06969	0.7
155.08543	0.7
157.10114	0.6
163.11304	0.6
163.14819	0.6
165.07016	3.1
166.07755	1.1
167.08586	3.6
169.06502	3.3
169.10205	0.4
171.07977	0.5
171.11728	0.5
176.06223	0.7
176.99133	0.5
177.05606	0.5
177.07013	3.7
180.05827	1.1
181.04977	0.8
181.06487	8.3
181.10124	0.6
181.12265	0.6
182.07184	0.7
183.08139	0.4
184.05199	1.2
185.13213	0.5
191.03905	0.5
193.06485	0.7
194.07289	2.5
195.08066	7.6
195.11761	0.7
196.05113	0.5
197.05983	18.2
205.06476	1.4
208.05234	3.8
209.05984	10.5
210.06747	1.1
211.07613	1.6
212.04669	0.7
212.08322	1.8
213.16402	0.6
220.65659	0.5
222.06796	1.2
223.07574	2.0
224.08331	32.0
225.05481	11.4
225.08879	0.8
227.06985	1.4
227.10745	0.7
239.02386	0.6
239.06956	0.4
240.07828	41.6
241.08313	0.6
247.31384	0.4
255.10190	100.0
255.17450	1.9
256.10452	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1017
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01881	2.1
55.05502	1.0
57.07060	0.4
63.10038	0.2
67.05502	0.9
68.98142	0.2
69.03418	0.5
69.07069	0.6
70.06575	0.2
71.04974	0.3
71.51546	0.4
75.04453	0.4
79.05496	0.5
81.03413	0.7
81.07047	1.1
83.04974	0.7
83.08604	0.6
84.04506	1.6
85.02895	0.5
85.06568	0.3
86.09717	0.4
91.05478	0.7
93.07022	0.7
95.04956	0.4
95.08617	0.7
97.06548	0.3
98.98477	4.6
100.11258	3.5
105.07072	0.7
107.04945	0.3
107.08530	0.4
109.02893	0.5
109.06516	0.3
109.10163	0.4
111.04430	0.6
115.05451	0.7
119.08584	0.4
121.06451	0.3
127.03918	0.6
128.06253	0.3
129.07021	0.4
131.04919	1.1
133.10139	0.4
135.11732	0.2
141.06976	1.6
142.07773	0.3
142.12308	0.7
143.08545	0.4
145.10104	0.4
152.06224	3.3
153.06992	2.1
154.07762	1.1
154.12251	1.8
155.08524	0.3
157.06491	0.8
157.10149	0.4
161.06003	5.7
165.07018	5.2
166.07817	1.2
167.08585	4.3
168.05725	0.9
168.13852	0.5
169.06511	5.1
169.10139	0.4
170.11784	0.8
171.08023	0.4
171.11821	0.3
171.14932	5.0
176.06314	0.3
177.05603	0.3
177.06990	1.5
178.07793	0.5
179.08597	1.4
180.05707	2.1
181.06487	7.6
182.07300	2.5
183.08089	2.1
184.05197	1.8
184.08873	1.7
185.05937	0.6
194.07277	2.1
195.08067	12.3
196.08846	8.3
196.10690	0.3
196.13333	0.5
197.05998	11.9
197.09642	2.1
197.13327	0.6
198.06728	0.3
199.07573	1.5
199.11252	0.4
199.14815	0.4
205.06491	1.2
206.07262	0.5
207.08064	0.4
208.05287	1.7
209.05997	2.9
209.09615	0.7
210.06790	2.0
211.07571	2.9
212.04829	0.9
212.08336	15.1
213.08984	0.5
218.28018	0.3
221.06020	0.4
222.06796	1.0
223.07549	8.8
224.08327	10.5
225.05496	3.1
225.09019	2.4
227.07115	3.4
227.10664	8.9
237.05496	0.5
237.09122	5.4
238.06250	0.8
238.09889	5.2
239.07018	2.0
240.07813	11.3
241.08261	0.3
253.08612	3.6
255.06653	4.2
255.10178	100.0
255.20715	2.5
256.08038	0.4
256.10498	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	255.1017
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
54.26213	0.3
57.10863	0.3
64.26993	0.3
69.42162	2.5
81.07038	0.7
82.39481	0.3
91.05479	0.5
98.98458	2.7
109.06510	0.7
111.04416	0.3
115.05412	0.3
128.06212	0.3
131.08511	0.3
133.13628	0.4
141.06966	0.6
143.08578	0.4
145.10127	0.3
152.06204	3.3
153.07024	0.7
154.01497	0.3
157.10056	0.4
159.11736	0.5
165.07022	2.9
166.07762	0.9
167.08577	3.6
169.06520	3.1
170.86104	0.3
171.11638	0.5
175.41592	0.3
176.06209	0.9
177.07016	4.2
180.05705	0.6
181.06483	8.7
182.07370	0.4
184.05217	0.8
193.06471	0.7
194.07240	1.8
195.08069	7.7
196.08749	0.5
197.05989	18.5
197.13182	0.4
198.06435	0.5
205.06447	1.3
208.05211	4.4
209.05989	11.2
210.06703	1.6
211.07529	1.3
212.04674	0.7
212.08275	1.8
222.06807	0.7
223.07515	2.1
224.08325	31.6
225.05467	14.9
225.08946	0.7
227.07059	1.1
227.10725	0.5
237.09201	0.5
238.72887	0.3
240.07809	37.7
241.08310	0.8
255.10165	100.0
255.20999	0.9
256.10553	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
53.85001	0.4
55.01863	1.6
55.05502	0.9
56.74414	0.4
59.84681	0.4
67.01859	0.7
67.05476	0.6
69.03396	0.4
69.07040	0.5
69.17979	3.7
74.10191	0.4
81.03416	0.8
81.07050	0.8
83.04949	0.5
91.05465	1.4
95.08618	0.7
98.20903	1.5
98.98461	5.6
103.05450	0.6
107.08587	0.8
109.10193	0.6
111.04377	0.4
111.63290	0.3
115.05458	0.4
121.10107	0.6
127.03857	0.5
128.06215	0.5
129.07024	0.8
131.04909	1.7
135.11598	0.6
141.07007	1.9
152.06218	1.3
153.06970	2.7
153.20488	0.4
154.07788	2.7
155.08498	2.0
157.06490	7.4
157.10069	0.7
162.08377	0.4
165.05746	0.6
165.06990	3.4
166.07750	1.2
167.08571	7.4
169.06496	1.2
169.10129	2.1
171.04424	1.0
174.52539	0.4
177.06979	1.1
178.07771	3.4
179.08554	13.4
181.06494	8.0
181.10114	1.2
182.07263	13.2
183.08026	2.1
184.08875	1.0
185.05957	6.4
191.08604	0.4
194.07246	2.0
195.08028	6.4
196.08774	1.0
197.06009	4.0
197.07805	0.9
197.09624	12.1
199.07518	0.7
199.11084	1.0
205.06450	0.5
206.07339	0.4
207.08002	3.3
209.05916	0.5
209.09612	3.2
210.06741	16.1
211.07433	1.3
212.04631	0.5
212.08340	4.2
214.04034	0.4
223.07578	2.3
224.08339	1.9
225.05489	1.2
225.09090	17.2
227.07048	1.2
227.10623	5.1
240.07837	3.6
241.25615	0.4
255.10152	100.0
255.20792	1.9
256.10565	1.7
260.63245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1018
Annotation	2-Hydroxy-3,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
55.01862	0.4
55.05503	1.5
57.03436	2.5
67.05235	0.4
67.05511	4.2
68.64947	0.4
69.03421	1.3
69.07062	1.6
69.33624	0.4
71.05006	0.6
71.11696	0.8
75.10979	0.4
78.20193	0.4
78.92139	0.4
79.05505	3.6
81.03413	1.8
81.07050	2.8
83.04993	2.5
85.02894	0.6
91.05482	1.8
93.07053	3.7
95.04955	1.0
95.08611	0.9
96.03632	0.5
97.06528	1.1
97.10179	0.9
98.98476	8.7
100.98924	0.5
105.07023	1.5
107.04952	0.8
107.08606	3.3
108.66171	0.4
109.02865	0.5
109.10146	0.9
111.04444	0.9
115.05476	0.4
117.07018	0.6
119.04958	0.4
119.08569	0.8
121.10104	0.7
123.04447	0.7
123.07990	0.4
127.03916	1.2
128.06183	0.5
129.07030	0.8
131.04936	1.6
131.08580	0.6
133.10092	0.6
135.11711	4.2
141.07051	0.6
142.07816	0.5
143.08565	1.6
145.10144	1.4
147.04379	0.6
147.11711	0.6
149.56291	0.4
152.06229	3.3
153.07005	0.6
155.08575	0.8
157.06358	0.4
157.10144	1.3
159.11684	0.9
163.11163	0.7
165.07008	3.4
166.07828	1.2
167.08556	4.3
169.06477	3.2
169.10159	0.9
171.11650	0.9
173.13373	0.5
175.48503	0.5
176.06203	0.9
177.06987	4.2
178.07671	0.4
179.08508	1.1
180.05763	0.8
181.06499	7.2
181.10052	0.5
182.07278	0.9
183.08075	0.6
184.05225	2.0
185.05928	0.5
185.13242	0.8
193.06477	0.6
194.07307	1.6
195.08076	11.2
195.11694	0.8
196.08798	1.7
197.05995	16.5
197.09702	1.2
197.13261	1.1
198.06509	0.6
199.11237	0.4
199.14815	0.4
205.06531	0.9
208.05190	2.8
209.06023	9.2
209.09564	0.5
210.06717	1.3
211.07623	1.9
212.04721	1.3
212.08330	4.8
213.08800	0.5
213.16452	0.5
222.06749	0.6
223.04053	0.8
223.07549	4.2
224.08339	27.6
225.05495	11.2
225.07843	0.6
225.08940	1.2
227.07002	2.2
227.10663	1.7
237.09206	1.0
239.07004	0.9
240.07835	36.7
241.08276	0.9
255.06886	3.0
255.10184	100.0
255.20963	3.5
256.10507	1.7
279.43680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	2,3-Dimethoxy-7-hydroxy-phenanthrere
Peak:m/z	Relative Intensity
55.05507	0.8
57.03418	1.1
57.07073	0.3
58.74991	0.3
60.41080	0.2
64.87416	0.2
67.05491	1.6
69.07054	0.8
71.01332	0.3
71.51186	0.3
75.04469	0.4
78.68514	0.3
79.05492	1.8
81.07050	1.0
83.04945	0.3
91.05462	1.2
93.07043	2.3
95.08601	0.5
97.10137	0.3
98.98470	2.7
105.07032	0.3
107.08559	1.5
111.00789	0.7
111.08089	0.3
112.85875	0.2
115.05511	0.3
119.08573	0.4
121.10067	0.4
125.45456	0.2
127.81477	0.3
129.07039	0.4
131.08603	0.3
131.11821	0.2
135.11710	2.2
135.50522	0.2
137.44363	0.2
138.04863	0.3
141.07030	1.5
145.10129	0.5
152.06195	3.3
153.07007	2.2
154.07817	0.4
156.09106	0.3
165.07016	5.1
166.07797	1.4
167.08557	2.9
168.05714	1.0
169.06497	5.0
169.10078	0.4
171.04500	0.3
177.06992	0.4
178.07837	0.5
179.08566	0.8
180.05719	2.8
181.04837	0.3
181.06479	6.5
182.07274	1.2
183.08087	1.9
184.08830	1.5
185.05988	0.5
194.07275	0.5
195.08054	7.3
196.08844	12.0
197.05991	7.5
197.09370	0.7
198.06737	0.3
199.07652	0.4
199.11203	0.4
209.06035	0.3
211.07513	2.2
212.08340	16.6
213.09071	1.0
213.12497	0.3
225.29440	0.3
226.09949	0.3
227.07074	0.5
227.10693	4.2
237.09024	0.3
240.07874	0.7
255.10176	100.0
256.10632	1.8
256.26324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82338	1.1
53.03953	1.3
55.01863	4.2
55.05517	1.9
57.03446	14.1
58.82691	1.1
59.18582	1.1
59.93779	1.1
65.84990	1.1
67.05501	1.3
68.99796	8.2
69.07053	1.7
70.06593	3.2
71.50667	1.3
71.51089	1.7
75.04489	6.9
77.03907	1.2
79.05485	3.3
81.07045	2.6
83.04956	2.2
84.08138	2.4
85.02864	1.1
90.30146	1.4
91.05485	16.9
93.07056	6.1
94.04215	1.6
95.04963	2.0
97.02884	1.6
98.20805	1.3
98.98474	25.3
102.61387	1.1
103.05475	48.4
105.03429	1.5
105.07034	3.6
107.04957	3.3
109.06535	2.7
110.03672	16.8
110.07188	2.0
115.05458	1.9
119.04962	18.0
120.05733	3.3
120.08095	1.9
121.06493	10.6
122.03623	3.3
123.04437	34.1
124.05241	6.4
127.03911	1.5
129.10242	1.7
131.04939	100.0
133.06496	1.8
135.04463	1.4
135.08029	3.3
137.05992	36.1
138.06784	26.3
138.07816	2.6
141.23785	1.2
147.04416	3.0
149.05991	2.0
149.33055	1.2
151.07545	13.1
153.07030	1.3
157.06529	6.9
161.06041	1.9
163.07549	31.1
166.06274	31.5
169.06474	1.6
171.04401	5.4
175.07556	2.2
179.07045	4.1
180.07838	2.1
181.06612	2.9
181.08611	29.3
185.05966	3.4
187.07501	5.0
199.07492	3.6
213.05441	4.3
227.07063	4.7
230.91658	1.2
237.11290	1.8
241.04958	2.9
255.06526	45.3
255.10373	1.8
256.07303	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	256.9646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34667	0.3
53.53263	0.3
53.82331	0.2
54.98643	0.4
56.96297	0.6
56.96570	10.0
64.69769	0.3
69.27269	1.8
71.95267	3.5
98.97589	100.0
103.08360	0.2
112.92223	0.3
116.98630	29.9
119.01953	0.3
130.93315	1.0
133.98286	0.3
134.99673	3.9
140.00218	0.6
161.66806	0.3
172.94342	4.9
190.95396	2.1
209.98399	0.3
214.95374	3.1
232.96457	3.7
250.97520	1.2
251.49278	0.3
256.93680	0.3
256.96457	13.4
274.97522	45.7
275.97809	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	BAUHINOXEPIN J
Peak:m/z	Relative Intensity
53.03941	0.9
54.41831	0.2
55.01873	0.6
68.99792	1.7
71.35135	0.3
73.43877	0.2
76.60040	0.2
77.03891	0.3
79.05491	1.3
81.03388	0.2
91.05473	0.7
95.04957	1.0
95.10825	0.2
103.05468	0.4
105.04508	0.4
107.04962	100.0
108.05279	0.7
111.00800	2.6
114.72751	0.2
117.07043	0.4
119.04930	1.0
121.02920	0.3
123.04445	0.3
131.04030	0.4
131.04942	4.8
132.05717	0.4
135.04462	0.6
137.06064	0.2
139.03908	1.8
141.06961	0.4
145.06490	0.8
147.08078	2.0
151.03896	0.9
163.03899	1.7
165.07021	0.8
169.06512	0.6
173.05977	2.3
183.08130	0.6
187.07594	0.3
197.05962	0.7
203.03447	0.3
211.05731	0.2
211.07552	0.7
212.07005	0.3
225.05524	0.7
225.09044	0.3
229.05103	0.5
229.08603	1.1
239.06998	0.5
242.05611	0.4
257.04672	0.6
257.08109	16.0
257.11624	0.5
258.08511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0808
Annotation	2,3-Dimethoxyxanthone
Peak:m/z	Relative Intensity
55.93139	0.4
69.82794	2.8
71.04979	0.5
77.02033	0.5
81.07056	0.7
88.07661	0.6
91.05479	0.6
105.07044	0.7
107.08582	0.5
109.91479	0.5
119.08582	0.9
121.10143	2.5
128.06253	1.4
129.07007	0.8
131.08597	1.1
131.21422	0.5
141.06989	0.9
143.08557	1.0
145.10159	0.9
156.05679	1.3
157.06477	0.7
157.10150	1.2
159.11694	1.4
160.05174	0.6
171.04416	2.3
171.08089	1.1
173.13275	1.2
183.04408	1.4
183.11702	0.6
184.05089	2.3
185.05991	3.6
186.06787	1.7
197.05948	1.2
198.06801	5.4
199.03922	10.3
199.15002	1.1
200.04568	1.1
201.09135	3.2
201.12721	0.5
212.04697	1.8
213.05463	10.0
213.07458	0.7
214.06258	10.9
214.08330	0.6
215.06732	0.8
221.29004	0.5
229.08614	4.1
239.18010	0.5
241.04976	7.8
242.05748	44.1
243.06047	0.7
256.26367	1.0
257.08099	100.0
257.18954	4.1
257.26669	1.7
258.08398	2.0
258.28094	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
53.24414	0.4
60.85999	0.4
67.01865	7.5
67.05493	0.6
68.99787	3.4
69.03439	1.2
69.07066	0.6
69.30092	3.3
69.30508	0.9
69.53725	0.4
78.50413	0.4
79.01852	0.4
79.05509	2.9
81.03400	0.9
81.07049	1.2
82.28772	0.4
91.05495	2.7
93.07056	0.6
95.04966	0.5
95.08600	0.7
96.18346	0.4
97.02876	1.2
100.28562	0.4
103.05470	16.3
104.09475	0.5
104.45373	0.4
105.03379	1.0
105.07030	1.6
107.04956	5.3
107.08616	0.5
111.00791	1.6
117.07016	0.8
119.08574	0.6
123.04433	1.0
125.02326	0.9
127.03962	0.7
129.01840	1.4
129.06972	0.4
131.04935	35.5
131.08577	0.9
131.11826	0.4
135.04463	0.5
135.11668	0.5
141.07024	0.7
143.08597	0.6
145.06496	0.8
145.10168	0.7
147.08041	0.5
147.11687	0.5
149.13382	0.4
151.03891	2.1
153.01833	100.0
154.02174	1.2
157.10205	0.5
159.11726	0.7
165.06989	0.9
169.06432	1.0
171.02902	12.9
173.06009	2.3
179.03426	1.5
181.10080	0.5
183.08012	0.7
197.06006	1.1
197.09628	0.5
211.07538	2.0
214.06268	0.6
215.07097	1.1
225.08987	0.7
226.09784	0.6
229.08601	0.8
239.07047	1.7
242.05716	1.0
257.08099	81.4
257.18997	1.6
257.22675	1.2
258.08496	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0811
Annotation	BAUHINOXEPIN J
Peak:m/z	Relative Intensity
53.03938	1.2
55.01865	1.8
57.03420	0.7
65.03933	0.7
67.01874	0.8
67.05476	0.8
68.99796	33.4
69.07066	0.7
71.04971	0.5
71.12037	1.3
79.05496	4.1
81.07053	1.7
83.04943	0.7
91.05499	3.4
93.07024	0.8
95.04963	2.1
95.08601	1.2
95.93824	0.5
103.05484	7.3
105.04509	1.0
105.07024	1.7
107.04961	96.3
108.05315	1.4
109.10160	0.8
111.00813	62.4
111.04421	1.3
113.02383	0.7
115.05456	1.4
117.07034	3.5
119.04996	1.2
119.08598	1.7
121.02863	1.8
121.10083	0.5
123.04436	1.8
127.03912	2.4
128.06184	0.8
129.07030	1.2
131.04935	65.2
131.08575	1.0
132.05753	6.2
135.04428	1.7
139.03914	11.7
141.06964	2.4
143.08624	0.5
145.06494	9.4
147.04436	1.1
147.08054	29.7
148.08379	0.6
149.02353	1.7
151.03882	1.1
151.23666	0.5
153.06981	3.0
155.06046	1.6
155.08554	2.4
158.07419	0.5
159.08124	0.7
163.03926	8.9
165.07014	7.6
168.05730	1.6
169.06491	2.7
171.04472	0.6
171.08058	2.8
173.06000	26.9
181.06522	1.1
182.07353	0.6
183.08076	6.1
187.07587	3.9
193.06525	1.3
197.05980	3.1
198.06738	0.6
201.09102	1.0
211.07555	8.9
213.05399	0.6
214.06207	1.2
215.07033	3.3
225.05368	0.8
226.09833	0.5
229.08585	7.4
239.07089	8.8
240.07846	0.5
242.05786	1.6
257.08105	100.0
257.22647	0.7
258.08487	1.1
273.09714	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	Fimbriol B
Peak:m/z	Relative Intensity
55.01867	1.3
55.05507	1.4
57.03442	1.0
58.62003	0.5
67.05518	3.8
69.07061	2.1
69.66463	0.8
69.66872	2.4
70.04050	0.9
71.04984	1.2
79.05522	1.3
81.03417	0.6
81.07051	5.7
81.70476	0.5
83.04992	0.5
83.08626	0.8
85.06513	0.9
87.06928	0.5
91.05478	1.7
93.07045	1.7
95.08619	6.3
98.21581	1.1
105.07047	2.2
107.04964	3.8
107.08608	1.3
109.10156	1.0
115.05485	3.7
117.07050	1.1
119.08589	1.8
121.10140	1.5
128.06183	0.7
129.07025	1.1
131.08592	0.9
133.10150	0.8
141.07013	18.5
141.08133	1.0
142.07576	0.5
143.04980	0.7
143.08553	1.6
144.05653	1.0
145.06403	1.3
145.10114	2.4
147.11670	1.1
150.21892	0.6
153.01880	0.9
153.06996	1.4
155.08534	1.5
157.06462	1.5
157.10213	1.0
158.07291	2.7
159.08078	0.8
159.11717	0.9
165.07045	3.1
168.05717	5.5
169.06505	24.5
169.10129	0.7
170.07242	1.3
171.04417	1.7
171.07991	1.0
171.11674	0.5
172.05148	0.9
173.06134	0.9
173.09692	1.1
179.06131	0.9
181.06493	4.7
182.07372	0.7
183.08057	5.4
184.05222	0.7
184.17033	1.2
185.06061	2.8
185.13239	0.6
186.06769	6.4
187.07552	4.5
187.11156	0.7
187.14644	0.7
189.05402	0.8
194.19000	0.7
196.05257	3.6
197.05998	77.4
198.06783	7.8
199.07541	1.0
199.14867	1.1
201.09109	7.0
211.07561	7.7
211.14830	0.5
212.08208	1.0
212.16502	0.8
213.05475	1.7
214.06259	9.9
215.07074	2.2
224.04637	1.1
225.05487	36.1
226.06129	1.2
226.09727	0.8
229.08620	51.2
230.08994	1.0
239.07076	1.1
240.19601	3.6
242.05750	7.9
243.06511	0.7
257.08115	100.0
257.15356	1.9
257.19046	1.7
257.22583	1.6
258.08542	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
57.07065	2.0
67.05513	3.9
69.07063	3.7
70.06586	0.7
71.04984	2.0
72.08154	0.8
79.05507	3.3
81.07063	3.8
82.66200	0.6
82.69174	0.7
83.04996	0.9
83.08637	1.5
85.06541	2.1
88.07648	1.0
90.09204	0.8
91.05487	5.4
92.12325	0.6
93.07056	8.3
95.04972	2.4
95.08616	6.2
97.06517	1.0
98.21513	1.5
99.08096	0.9
99.91425	0.5
103.05500	1.1
105.07037	13.4
107.04981	0.7
107.08606	8.3
109.06506	3.4
109.10163	5.1
111.08088	0.9
113.44306	0.6
115.05415	0.9
116.40887	0.6
117.07024	2.6
117.54504	0.6
119.08585	11.3
120.05737	0.7
121.10152	37.4
123.08077	1.5
123.11667	1.2
125.09641	0.6
128.06209	1.6
128.84239	0.6
129.07013	3.1
129.55344	0.7
131.08588	6.8
133.07678	0.7
133.10141	5.5
133.80980	0.7
135.08058	8.0
135.11658	1.7
137.09590	3.0
141.06967	3.2
142.07813	3.1
143.08560	8.9
144.09326	1.7
145.06474	0.7
145.10123	9.8
147.07977	0.7
147.11682	2.5
149.09584	2.3
152.06178	1.0
153.06970	2.1
154.07762	2.3
155.08537	2.9
156.09332	1.5
157.06537	0.8
157.10156	12.6
158.10857	1.5
159.08057	1.4
159.11697	11.1
161.09593	1.3
161.13254	1.5
163.11194	1.9
165.06996	7.3
166.07727	0.9
167.08604	3.7
168.05493	0.7
169.06438	0.9
169.10159	6.0
170.10886	1.4
171.04408	1.1
171.07999	1.7
171.11661	6.0
173.09644	2.0
173.13269	12.7
174.14009	0.9
175.11281	0.6
175.14804	0.9
177.07091	0.8
177.12799	0.7
178.07852	0.8
179.08501	1.4
181.06480	6.0
181.10196	0.7
182.07274	6.6
182.10883	0.9
183.08020	2.7
183.11722	4.7
184.05209	0.7
184.12534	1.4
185.05994	1.3
185.13344	1.4
186.93903	0.6
187.11179	2.8
187.14815	3.2
189.12790	1.8
193.06326	0.7
194.07239	2.3
195.08037	4.0
195.11707	0.8
196.08644	0.6
196.12529	0.8
197.05969	1.9
197.09633	11.8
197.13260	3.9
198.06764	1.7
199.03958	2.9
199.07527	4.5
199.14830	19.8
201.09177	1.4
201.12762	5.4
209.05991	0.9
209.09576	1.1
209.13309	0.8
210.06729	6.0
210.14091	0.9
211.07571	19.2
212.08270	0.9
213.05504	3.8
213.09050	0.7
213.16426	7.2
214.06235	4.6
214.09770	2.5
214.17191	1.5
215.14351	2.0
215.17931	4.3
224.08356	2.8
224.15631	0.9
225.05624	1.1
225.09103	23.1
226.09897	48.7
227.07008	9.2
227.09323	0.7
227.10281	1.3
229.08566	1.4
239.07092	0.8
239.18010	7.9
240.07890	1.0
241.04910	2.3
241.08571	3.7
242.05740	13.6
242.09373	23.6
243.09738	0.6
257.08112	32.7
257.11716	100.0
257.19012	54.7
257.26642	9.4
258.08472	1.4
258.12094	1.8
258.19394	1.0
258.27963	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	257.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66588	0.5
53.03938	0.8
55.05278	0.6
55.05519	7.0
55.97585	0.5
57.07068	1.8
67.05508	9.7
69.07066	7.2
69.33886	2.8
69.34312	1.8
71.08633	1.3
75.90333	0.5
79.05496	5.9
81.06589	1.1
81.07063	21.8
83.08621	3.2
89.06033	0.6
91.05495	6.2
93.07050	13.1
95.08614	20.6
97.10173	2.4
105.07037	16.5
107.04935	0.5
107.08607	20.4
109.10168	16.2
109.10699	0.3
111.11744	0.7
117.07012	3.3
119.08595	19.1
121.10152	13.0
123.11713	6.1
129.07021	1.4
130.07767	1.0
131.08585	10.7
133.10136	12.0
135.11725	8.0
137.13214	1.1
143.08557	2.1
144.09331	1.0
145.09064	1.0
145.10144	16.2
146.10786	0.6
147.11694	12.2
149.13272	12.2
157.10158	2.0
158.10939	1.6
159.11703	18.0
161.13266	13.9
163.14835	4.4
170.52481	0.6
171.11746	1.3
172.12500	1.7
173.13274	18.5
175.14838	6.9
177.16312	1.3
185.13304	1.5
186.14110	0.7
187.14825	18.1
189.16385	0.8
199.14821	2.5
200.15546	0.7
201.16402	19.0
211.07484	0.6
213.16367	1.3
214.17157	0.6
215.17973	5.7
226.09978	0.9
227.06868	0.7
228.18671	0.9
229.19577	2.5
239.18065	0.7
242.05779	2.0
257.08020	3.6
257.11755	2.1
257.22659	100.0
258.22968	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98654	0.3
55.75321	0.3
56.96568	6.4
60.97403	0.2
62.24598	0.3
70.11608	1.2
70.15426	0.2
71.95269	2.2
98.97589	100.0
99.97894	0.4
100.97220	0.6
100.97968	0.6
116.98627	28.7
134.99666	4.8
140.00168	0.6
198.50937	0.3
216.98587	0.6
219.02022	0.4
234.99704	0.3
240.98671	4.2
258.99777	44.9
260.00024	0.9
277.00827	36.0
278.00958	0.6
279.33752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0962
Annotation	Peucedanin
Peak:m/z	Relative Intensity
55.01869	0.9
55.05501	0.4
57.07089	1.7
58.55993	0.3
62.06077	0.4
67.05519	0.6
68.99770	0.3
69.07053	0.4
71.04987	0.3
73.12257	0.3
78.79730	0.3
79.05486	0.8
81.07029	1.0
91.05467	1.0
93.07040	0.9
95.08606	0.7
97.02888	0.5
105.07024	1.4
107.04953	1.0
107.08601	0.4
113.05119	0.3
117.07056	0.8
119.08560	1.1
121.10201	0.4
128.06194	1.2
129.06984	1.0
131.08582	1.5
133.10146	0.8
135.04449	0.3
140.06177	0.3
141.06961	0.9
141.76152	0.3
142.07784	0.7
143.08557	0.7
145.06448	0.7
145.10109	0.9
146.07222	0.5
147.11720	0.4
151.07504	0.4
152.06206	0.6
153.07018	1.1
156.05676	0.3
157.06522	0.5
157.10156	0.8
158.07274	0.6
159.08084	0.7
159.11690	1.3
160.08878	0.6
161.05988	2.4
162.06804	0.4
163.07568	0.6
165.05537	0.3
165.06984	0.4
167.08609	0.3
168.05702	1.3
169.06505	1.7
170.07239	0.8
171.08070	1.7
171.11700	0.8
172.08842	1.2
173.05988	0.9
173.09669	0.4
173.13278	0.6
174.06744	1.3
175.07555	1.0
175.11209	0.5
176.08292	0.5
181.06374	0.7
182.07259	0.8
183.04361	0.5
183.08093	1.0
184.05165	0.7
184.08881	0.4
185.05937	1.3
185.13281	0.8
187.07559	1.5
188.08321	3.4
189.09143	1.4
195.08157	0.5
197.06012	0.6
198.06833	2.2
199.07538	3.3
199.14865	0.5
200.08269	0.8
201.05504	5.1
201.16400	0.9
202.06236	1.7
202.21648	1.4
203.10664	5.9
211.07523	0.4
213.05522	0.5
213.09108	4.3
213.16432	1.7
214.06291	0.6
214.09859	0.5
215.07036	4.5
215.08890	0.4
216.07719	1.5
217.08589	1.0
226.06293	1.9
227.07011	0.9
229.05103	0.3
231.08089	0.4
231.10110	1.9
231.17424	0.4
241.08575	1.9
241.19296	0.3
243.06525	3.0
244.07321	26.2
245.07634	0.7
258.27884	1.8
259.09665	100.0
259.16913	3.5
259.20273	1.8
259.28268	1.1
260.10031	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0966
Annotation	Peucedanin
Peak:m/z	Relative Intensity
51.62824	0.5
53.03949	0.8
55.01858	0.5
55.05510	0.8
56.05026	1.4
67.05486	0.8
68.29361	0.6
69.03437	1.3
70.02985	0.6
70.06593	0.7
71.51057	0.6
79.05491	1.2
81.03424	1.2
81.07053	2.2
84.03395	0.5
84.08161	1.3
85.01144	0.9
86.00636	0.7
91.05472	1.6
91.06034	0.5
93.07031	1.7
95.04932	0.9
98.09683	2.3
98.97599	0.9
103.05463	0.7
105.07027	1.1
107.04939	3.4
107.08588	1.2
110.09666	0.8
113.04223	1.0
116.01665	1.0
117.06942	0.6
119.08535	1.0
121.06525	0.9
121.10130	0.8
127.03925	1.0
128.06221	1.0
129.07005	0.8
131.04906	0.9
133.10147	0.7
135.04312	1.1
137.05986	1.2
139.05441	6.6
145.06383	0.7
155.04915	1.9
156.05734	1.7
156.08434	1.0
156.10220	1.8
157.06583	0.7
161.05948	0.6
167.04892	1.9
169.06583	0.7
173.05978	3.6
183.04434	6.8
184.05208	8.5
185.06061	1.0
187.07501	0.7
195.04425	8.6
196.05150	0.8
198.06731	1.5
199.07530	3.7
201.05486	16.4
202.07779	4.6
203.08583	2.8
211.03935	2.4
212.04704	15.0
213.05484	3.5
213.08920	0.7
216.07875	0.8
218.81963	0.5
226.06241	1.2
227.07068	3.7
229.04979	24.9
231.08102	5.6
231.10080	1.0
241.08620	1.2
244.07385	3.8
259.09683	100.0
260.10049	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0968
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
53.03953	0.9
53.17198	0.4
55.01876	0.9
55.05272	0.6
55.05516	8.4
57.03437	4.2
57.07070	1.0
63.02353	0.4
65.03941	3.2
67.05517	3.3
68.99792	1.0
69.03444	0.9
69.06724	0.7
69.07073	8.4
71.04988	1.1
71.08634	0.7
71.51027	0.5
77.03931	0.5
79.05498	5.0
81.03412	1.0
81.07055	5.6
81.26617	0.4
83.04980	1.4
83.08628	7.7
85.06534	1.0
88.86677	0.4
91.05486	100.0
93.07051	4.7
93.17989	0.4
95.04968	1.3
95.08627	3.4
97.02938	0.4
97.06543	2.0
97.10183	1.4
103.05458	2.5
105.07035	77.3
107.04962	7.0
107.08596	4.2
109.02892	1.0
109.06552	0.7
109.10174	1.8
111.00793	2.3
111.08076	1.4
113.04275	0.4
115.05484	1.2
117.07020	1.0
119.08601	1.8
121.06518	5.4
121.10168	2.3
123.04436	3.9
123.11734	0.8
125.06004	1.4
125.09634	0.9
127.03937	5.7
128.06203	0.8
129.07042	0.6
131.04884	1.0
131.08565	2.2
133.05476	0.7
133.06506	11.9
133.10146	1.2
133.25536	0.4
135.04424	4.6
135.08076	0.6
137.05969	2.1
139.03931	2.0
141.06964	0.7
142.07845	0.4
143.08565	1.5
145.06482	0.9
145.10175	1.3
147.04378	0.4
147.11768	0.6
149.06012	3.7
149.13264	5.0
150.06764	3.3
151.03894	0.6
151.07561	0.6
152.06226	0.9
153.01843	1.3
153.05565	0.6
153.06992	2.3
155.03389	3.7
155.08607	0.8
157.06490	1.4
157.10168	1.3
159.11674	1.7
160.03952	1.1
161.09659	0.7
161.13278	0.5
163.03925	1.4
163.14792	0.4
165.07043	0.7
167.08572	0.7
167.14301	2.3
169.06438	0.6
170.07240	0.6
171.08067	0.8
171.11694	1.4
173.06030	0.5
173.09610	0.5
173.13303	1.0
181.05025	0.7
181.06456	2.9
181.10034	0.5
182.07211	0.7
183.08104	0.4
183.11775	0.8
185.09589	1.2
185.13344	0.5
195.08035	1.6
198.06766	2.3
199.07623	1.0
199.11192	0.9
199.14861	1.1
201.12747	0.9
201.16350	0.5
210.06717	0.7
212.04710	0.5
213.09195	3.7
213.16327	0.8
215.07028	0.6
217.08578	0.5
217.15807	0.5
223.07553	0.7
226.06332	0.8
227.07065	1.1
228.07742	0.9
229.04938	0.6
231.08110	1.0
241.08583	6.2
241.15898	0.8
244.07288	1.3
259.09689	32.0
259.16510	2.5
259.18988	7.9
259.24261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0965
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
52.33032	0.5
52.57853	0.5
53.03942	2.5
55.01875	1.2
55.05509	1.3
58.99582	0.6
65.03945	1.1
65.90038	0.6
67.05517	3.0
69.03426	1.5
69.07065	1.3
71.05001	1.4
71.51073	0.6
79.05491	5.9
81.03414	2.8
81.07053	3.8
83.05002	0.9
83.08644	0.6
85.01122	0.8
85.02905	1.2
85.06537	0.7
89.03916	0.9
91.05476	8.4
93.07051	4.2
95.04981	3.3
95.08633	3.1
97.06533	0.8
98.09752	1.3
99.04434	1.0
102.74524	0.6
103.05471	5.3
105.03327	0.8
105.04507	1.0
105.07024	3.1
107.04958	31.9
107.08588	1.7
109.02881	2.7
109.06496	1.4
109.10136	1.0
113.04251	1.0
115.05470	1.6
117.03356	0.7
117.07030	1.9
119.04949	1.5
119.08582	3.6
121.02888	1.4
121.06510	25.0
121.10114	0.9
123.04438	15.7
124.05240	0.8
125.06005	5.6
128.06219	1.9
129.07007	2.1
131.04933	6.1
131.08565	2.1
132.06018	0.6
133.06459	0.7
133.10120	1.4
134.03627	1.2
135.03404	1.4
135.04427	26.4
135.08040	1.0
136.05208	2.4
137.05997	7.0
137.09528	0.7
139.05362	0.9
141.07024	2.2
143.08554	2.4
145.10153	2.2
147.04529	0.6
147.08064	1.3
148.05174	0.7
149.05998	17.5
149.13199	1.0
150.06775	17.2
151.07545	2.3
152.06230	4.9
153.06999	9.1
154.07735	0.8
155.04913	1.1
155.08549	2.0
156.08423	0.9
156.10123	0.7
156.48245	0.6
157.06458	1.1
157.10156	2.4
159.08101	0.8
159.11671	2.1
161.05966	0.9
161.13301	1.3
165.07007	2.0
167.08585	1.4
169.06476	1.6
169.10124	0.7
170.07265	3.3
171.08026	1.7
171.11664	1.5
173.05995	1.1
173.09691	0.8
173.13329	1.4
175.07504	1.0
180.05717	2.1
181.06476	10.7
182.07326	4.3
183.04427	1.5
184.05232	1.8
185.06009	1.5
185.09622	2.5
185.13264	1.5
195.04478	1.5
195.08102	2.8
197.06041	2.0
198.06749	6.7
199.07518	5.7
199.14836	1.6
201.05492	3.2
201.12668	0.9
201.16394	1.7
202.07799	3.0
203.08594	2.3
203.10603	1.1
209.06033	2.2
210.06795	1.0
212.04703	2.1
213.05540	1.7
213.09114	17.4
215.06923	0.8
216.07724	0.8
223.07518	1.9
226.06239	2.1
227.07115	3.8
228.07771	1.6
229.05031	4.9
231.08163	5.1
231.10132	1.2
241.08601	12.6
241.15782	1.0
241.19547	1.5
244.07339	2.9
259.09695	100.0
259.16864	4.4
259.20422	3.3
259.24414	2.0
260.10394	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01876	11.8
55.05517	8.1
56.05034	11.7
58.99583	13.3
61.01146	2.4
67.05505	1.9
68.05022	6.1
71.30646	3.1
73.01146	1.7
74.00643	1.9
76.02236	3.3
76.03996	2.2
79.05493	49.3
80.05012	4.5
81.05824	2.4
81.07060	33.2
82.06579	11.9
83.08620	2.5
84.04508	9.9
85.01132	96.9
85.04027	6.8
85.04490	1.6
86.00650	30.2
86.99052	6.6
88.02213	6.3
91.05473	1.5
92.01690	2.0
93.07042	3.8
94.06583	7.4
95.04971	2.5
95.07341	2.7
95.08620	4.6
96.08147	14.4
97.01115	4.6
97.08915	7.2
98.09701	34.8
100.02217	2.1
102.60154	1.6
105.04537	1.6
105.07016	5.0
107.07351	2.1
108.08121	4.5
109.08892	3.1
110.09679	13.2
111.02699	1.8
112.03981	12.3
113.04231	100.0
114.05559	2.3
116.01681	19.6
122.09686	14.6
123.10435	4.7
130.05005	37.6
131.04532	2.1
139.05746	6.0
143.02766	2.9
144.01186	3.2
154.53148	1.5
156.08438	75.5
156.10204	39.6
160.00699	2.1
160.37984	1.6
162.02235	7.2
177.03304	11.2
178.70287	1.4
189.03311	7.3
206.07083	1.5
206.11862	1.5
237.12575	1.5
242.08438	16.0
259.11179	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66031	1.6
53.03940	4.0
55.01867	7.2
55.05515	87.7
55.35723	1.9
57.03442	41.7
57.07086	12.5
59.05000	3.5
67.05511	24.5
69.03429	3.0
69.07072	100.0
69.25497	16.4
71.04996	10.1
71.08623	4.9
73.06561	2.4
79.05079	1.9
79.05500	25.0
81.06592	3.1
81.07062	42.8
83.04974	7.0
83.08625	92.6
85.01123	5.2
85.06539	6.9
91.05494	10.1
93.07047	35.2
95.08620	17.8
97.06533	23.2
97.10180	24.5
98.09666	1.8
98.56056	1.6
101.06036	4.0
105.07021	9.9
107.04965	2.2
107.07883	2.8
107.08599	32.8
109.06505	2.9
109.10143	11.1
111.08096	16.9
113.04208	2.0
115.07590	3.0
117.07028	2.9
119.08603	5.6
121.10149	13.7
123.11686	4.9
125.09650	8.0
125.13286	3.1
129.07014	3.4
129.09148	3.0
131.08556	6.5
132.30989	1.7
133.10153	3.5
135.08006	1.5
140.95322	2.1
142.07782	3.1
143.08569	5.9
145.10170	9.2
147.08070	2.9
147.11761	2.3
149.13269	60.2
155.08580	2.1
157.10117	5.8
159.11728	3.7
161.09605	2.2
167.14333	27.5
171.11688	3.7
185.15248	2.4
186.53571	1.7
189.16515	1.9
197.13268	2.7
198.06459	2.8
199.07437	2.4
199.11049	1.9
199.14894	4.5
201.12851	2.6
203.10571	2.3
213.09091	2.7
218.15573	2.0
229.04735	2.0
241.08650	2.1
241.15834	4.1
241.18022	3.7
244.07013	5.8
259.05676	1.8
259.07086	1.6
259.09570	22.6
259.16904	9.5
259.19095	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
50.03547	1.9
55.05519	11.9
56.27448	1.8
57.49761	2.0
59.16420	1.9
63.34776	2.2
67.05505	10.6
67.83447	2.2
69.07069	36.2
70.96752	5.3
71.04993	19.6
79.05472	6.9
81.07067	17.8
83.04994	5.6
83.08611	7.1
85.06542	22.4
91.05481	13.3
93.07052	13.3
95.04939	2.9
95.08603	20.4
97.06527	4.5
105.03397	3.7
105.07043	28.0
107.08594	21.5
109.06499	7.6
109.10140	12.3
111.08080	11.0
117.07007	6.8
119.08585	54.6
120.09375	2.2
120.82416	2.1
121.10155	15.1
123.11711	20.5
129.01843	2.7
129.07001	5.2
130.07794	2.5
131.08575	14.5
133.10139	40.5
135.08102	13.2
135.11673	8.6
137.09589	4.5
142.07799	4.2
143.08528	8.4
145.10126	37.6
147.11673	21.9
149.09625	5.7
149.13187	4.1
151.11191	3.3
156.09329	3.2
157.10138	13.1
159.11716	36.4
160.12469	3.5
161.09544	2.9
161.13277	36.1
170.10934	2.8
171.11684	18.3
173.13292	13.5
175.11215	7.5
175.14842	81.9
176.15576	4.8
177.12764	5.0
177.16301	2.6
185.13223	15.4
189.12816	5.4
189.16415	7.1
190.13571	2.5
199.14812	4.1
201.16379	25.9
203.14349	9.0
215.18001	5.6
217.19516	3.7
217.32703	2.1
241.19501	18.3
259.09637	5.7
259.20590	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89797	1.3
53.03941	2.5
55.05262	2.3
55.05509	18.1
57.07084	7.1
67.05180	2.2
67.05512	29.6
69.07072	25.4
71.04984	4.9
71.08620	1.6
75.83070	1.4
78.38427	1.4
79.05488	14.2
79.64891	1.6
80.05022	1.8
81.06592	3.1
81.07064	59.5
83.08623	10.9
85.06544	2.1
91.05483	13.8
93.06490	2.9
93.07050	40.3
95.04971	3.5
95.08613	72.1
97.10172	11.1
105.03402	5.9
105.07044	32.2
107.08604	53.0
109.06513	3.0
109.10164	42.9
111.08118	2.0
111.11712	4.6
117.07027	4.1
119.08586	36.2
121.10158	40.8
123.11718	26.9
129.01823	6.1
131.08580	11.2
133.09245	2.5
133.10149	27.0
135.11707	28.2
137.13293	10.3
143.08527	3.9
145.10132	15.5
147.11717	20.7
149.09618	1.5
149.13275	43.2
151.11156	2.8
151.14844	4.0
157.10147	7.1
158.10954	1.8
159.11710	17.4
161.13281	14.8
163.14842	31.5
171.11740	5.0
173.13271	5.3
175.11179	2.1
175.14833	17.4
177.16396	15.1
181.06537	1.8
185.13303	4.2
187.14941	1.9
189.16405	19.3
199.07564	2.3
199.14822	4.2
201.16422	29.0
203.10620	3.2
203.17953	15.8
213.16296	2.1
215.18002	2.4
217.19540	3.8
218.48839	1.6
218.93637	1.6
231.17371	1.7
241.19484	13.6
259.05814	2.5
259.09601	14.1
259.16971	6.7
259.20599	43.3
259.24213	100.0
260.24554	2.4
268.47540	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1608
Annotation	Ala Gly Leu
Peak:m/z	Relative Intensity
65.59974	0.7
70.06594	1.3
70.52478	1.2
70.52817	1.5
72.08156	2.3
72.93803	0.9
84.04458	1.3
84.08147	25.0
85.02895	1.2
86.09708	100.0
95.98800	0.8
101.07138	13.7
102.05511	0.9
110.07137	0.7
121.02911	0.9
124.96815	0.8
129.06602	18.5
129.10219	4.0
130.08646	1.8
131.75957	0.8
132.10207	57.6
132.95813	1.1
143.11809	26.8
147.07661	1.8
147.11256	1.4
171.11311	3.3
189.12346	42.7
204.13857	1.4
215.14014	3.0
242.15079	1.6
243.17111	1.8
260.10153	1.2
260.16858	1.1
260.19788	3.6
263.76254	0.9
267.53546	0.7
278.06473	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
52.88757	0.8
53.63263	0.8
56.05037	7.7
56.96549	2.2
69.03428	1.2
69.07061	2.2
70.04463	3.9
71.80248	0.8
72.08135	1.1
74.02434	1.5
83.06105	44.2
84.04507	57.8
84.08144	34.8
84.32724	0.9
84.96007	0.9
85.02899	1.7
86.09707	100.0
96.04493	1.0
98.97588	5.7
101.07146	4.9
110.97571	1.3
113.07102	1.1
116.98661	1.0
123.04420	1.2
127.03911	0.8
129.06593	2.8
129.10246	7.1
130.04984	1.3
130.08626	3.4
132.10201	24.0
141.06517	2.0
143.00220	0.8
143.11806	2.3
147.07491	1.0
147.11288	5.9
152.10696	1.3
157.13362	23.8
158.99660	1.8
167.07019	2.0
171.11272	0.8
177.05487	0.9
179.40286	0.8
185.12862	5.6
189.12329	3.0
196.14458	7.6
196.99141	0.9
197.12848	25.9
198.11261	1.5
209.99075	0.9
219.01660	0.9
225.12320	2.8
242.14999	53.4
243.13403	23.8
243.17171	1.9
260.07294	1.7
260.19684	6.1
261.02695	1.1
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-Leu-OH
Peak:m/z	Relative Intensity
56.05039	2.8
56.94306	0.4
56.96566	0.7
61.02913	0.2
67.05504	0.8
69.03427	0.7
69.07063	0.6
70.06594	0.3
70.92760	0.3
70.93099	0.3
70.94766	0.2
72.08145	0.4
72.93806	0.7
77.10583	0.2
79.02199	0.2
82.06578	0.2
83.06105	1.0
83.99923	0.3
84.04511	3.1
84.08147	100.0
85.02900	0.7
85.06529	0.3
85.08479	0.4
86.09708	9.1
90.94835	0.2
95.01316	0.7
97.02925	0.6
98.97593	0.6
101.00869	1.8
101.07117	0.4
101.10787	2.6
102.00948	2.9
102.05606	0.2
102.09177	0.3
103.00650	0.3
103.02478	0.3
104.96423	0.2
112.07600	0.5
113.96407	0.3
116.07141	0.2
119.01922	2.5
120.02020	3.6
121.01686	0.9
129.10245	11.9
130.05011	3.0
130.08638	4.2
131.01904	0.4
132.02022	0.3
132.10220	0.7
132.95844	2.6
133.03476	0.3
137.03035	0.3
138.03113	0.4
141.01775	0.4
143.01848	0.3
144.01971	1.0
145.03450	0.5
146.03641	0.8
147.03224	0.3
147.07649	4.6
147.11285	8.1
150.96895	0.6
151.04532	0.2
152.14394	0.2
153.44067	0.2
155.01860	0.2
156.02008	0.3
158.93768	0.3
161.02946	0.6
162.03085	1.8
163.02733	0.4
169.01083	0.3
172.01520	0.3
174.03065	0.5
180.13860	0.2
188.04663	0.2
190.02574	0.4
192.96446	0.2
197.12875	0.6
197.16496	0.6
198.03189	0.4
200.01024	0.3
200.94797	0.5
201.03778	0.4
209.94843	0.3
217.01903	0.3
218.02121	1.1
219.01723	0.4
225.16020	0.4
226.14365	0.6
227.95882	0.3
229.03287	2.9
242.06602	0.3
242.15039	1.1
242.18684	0.9
243.04832	0.6
243.13338	0.7
243.17064	7.3
260.07520	0.5
260.16278	0.5
260.19711	15.4
261.05844	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	261.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	1.7
56.96568	44.6
60.95840	1.3
61.02922	1.2
68.57081	0.9
69.03439	1.7
69.07030	1.3
69.80687	5.1
70.06583	1.2
70.65402	0.8
70.98107	1.1
71.05003	0.9
71.95268	2.2
72.08165	1.0
72.93773	2.3
74.97614	5.5
84.04510	12.1
84.08145	17.0
84.95560	1.6
84.96037	8.9
85.02898	2.8
85.08488	4.5
86.09709	100.0
86.97587	3.4
90.94824	1.1
97.02883	2.6
98.97588	90.6
101.00873	2.1
102.05535	3.8
102.96867	4.0
110.96834	2.0
110.97572	19.9
112.99129	7.8
116.98624	22.4
119.01907	2.2
120.97861	2.6
121.01675	1.4
124.99120	9.6
126.97060	1.3
127.00716	2.4
128.10692	1.1
128.98640	10.9
129.10213	3.5
130.04987	5.3
130.10516	1.3
131.00179	5.0
131.03760	1.8
132.95836	10.3
134.99637	2.5
136.99147	1.9
140.98608	12.1
143.00177	20.8
145.01628	1.4
146.99640	3.3
147.03233	1.1
147.04422	1.0
148.06050	19.3
149.01260	1.1
150.96872	2.2
152.98550	5.5
155.00128	4.9
158.93626	1.0
158.99666	16.7
161.01228	9.0
161.02696	1.5
170.99683	15.8
173.01219	15.9
174.96815	1.0
177.00690	7.3
179.02293	1.3
182.99664	6.7
189.00703	7.7
191.02330	5.7
191.50851	0.9
197.12856	1.6
198.99098	0.9
200.94836	1.9
201.00720	13.6
201.02417	1.2
207.01791	1.8
213.00629	1.7
215.13911	1.2
219.01770	30.0
219.03659	1.0
229.03169	3.5
231.01822	2.1
237.02827	19.5
243.01799	1.9
243.04906	1.6
249.02565	1.1
261.00079	1.2
261.02863	18.1
261.05811	56.3
261.14423	7.3
261.19995	2.4
278.96872	3.9
279.03873	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	261.031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	3.4
58.43829	0.2
61.39544	0.2
71.48774	0.3
71.95264	0.4
72.27986	0.2
74.97611	0.3
82.99854	0.8
84.96026	0.7
86.97609	0.3
87.95787	0.2
98.97591	20.6
99.97910	0.5
100.97173	0.6
100.97966	0.4
101.00890	6.2
102.00972	0.4
102.96876	1.3
110.97575	0.9
113.33228	0.2
116.97825	0.5
116.98629	6.3
118.98229	0.3
119.01924	6.7
120.01977	0.2
120.97907	0.6
124.99112	0.6
128.98601	0.6
129.02322	0.3
131.00212	0.3
134.99716	1.3
137.02925	0.6
140.98743	2.3
143.00171	1.1
143.01958	0.2
152.98674	0.4
158.99875	4.8
161.01253	0.4
161.03004	0.3
170.99625	0.8
173.01234	0.5
175.03070	0.5
177.00960	13.3
178.01036	0.4
182.99864	1.8
189.00720	0.5
191.02403	0.2
199.03049	0.5
201.00919	5.1
217.04086	2.8
219.02003	19.0
220.02121	0.8
221.01929	0.4
225.00862	3.1
225.02867	0.3
237.02806	1.0
237.98718	2.1
238.98460	0.5
242.03583	0.3
243.02016	15.5
244.02174	0.7
260.99857	5.5
261.03070	100.0
262.03256	4.1
263.03769	0.3
266.03384	0.2
266.50815	0.2
278.96884	1.4
279.00644	4.9
279.03741	0.6
284.01462	0.3
284.04578	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0583
Annotation	Suprofen
Peak:m/z	Relative Intensity
58.89324	1.6
59.27707	1.6
71.10677	4.0
86.09689	3.6
104.16076	1.6
123.07453	1.6
134.67035	1.8
148.89641	1.6
169.01097	2.6
171.02614	2.1
201.03644	2.8
201.48630	1.5
214.81110	1.5
229.03204	35.4
243.04726	5.6
261.05838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61786	1.6
51.94373	1.4
53.03947	1.9
55.01870	6.6
55.05262	2.5
55.05513	26.2
56.05033	5.2
57.07072	10.2
58.99588	15.8
61.01147	7.3
67.05499	3.0
69.03421	2.5
69.07059	2.9
70.06599	2.5
70.83919	3.9
73.01148	13.4
74.00668	9.7
74.02448	2.5
76.02230	3.1
76.03994	3.6
79.05495	10.0
81.07063	33.3
82.06596	2.5
83.08623	19.5
84.04515	11.1
85.01125	12.1
86.99052	9.1
87.02692	2.9
88.02208	7.9
91.05484	2.2
92.61688	1.3
93.07050	5.1
95.04991	2.8
95.08625	6.3
98.09719	6.2
98.21100	2.7
99.02683	9.9
100.11261	49.0
105.07055	5.9
107.04978	2.3
107.08601	6.4
109.10184	1.7
110.09686	2.1
112.03967	16.5
112.11250	16.5
115.05795	15.4
116.01681	29.2
116.05322	20.2
116.06060	1.7
117.07029	1.6
119.08595	3.1
121.06548	7.3
124.11260	6.5
130.04984	10.8
131.08633	2.2
132.95824	2.9
133.10149	4.2
135.11739	2.0
141.07329	20.5
144.01190	6.1
145.06372	1.5
145.10190	2.6
158.10037	100.0
158.11807	58.9
158.97368	2.4
159.08081	2.1
162.02226	18.6
171.11711	1.8
175.11275	1.7
191.10730	5.3
198.96918	2.2
233.11781	2.9
243.17554	2.2
244.10036	46.1
244.12456	2.4
261.08859	3.0
261.12781	68.5
261.18655	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	261.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.05508	0.8
56.05034	0.7
57.07084	3.4
59.04994	1.8
61.01155	9.1
67.05513	2.8
69.07052	1.2
69.59941	0.9
69.60357	1.6
70.02960	2.3
70.06578	1.4
71.04998	0.6
72.04523	36.7
72.08146	0.6
73.02910	2.4
78.03799	2.9
79.05497	0.7
81.07057	0.4
84.04520	0.7
84.08148	2.2
84.88969	0.4
85.02905	1.4
85.06550	6.2
86.09708	6.4
87.05573	0.5
88.02225	30.0
91.05489	0.8
95.04990	3.3
96.08130	1.1
97.02918	0.9
97.04017	0.6
98.02425	3.3
98.06052	1.0
98.09708	0.6
98.97594	0.7
99.04469	0.7
99.04976	0.6
99.05585	10.2
100.03973	0.7
102.03776	1.8
103.07599	1.1
105.07059	0.6
107.04951	1.3
110.07198	0.5
111.04486	0.4
112.07603	1.7
113.06016	4.7
114.03769	6.4
114.09141	1.1
115.05001	2.0
115.09455	0.4
116.03504	0.4
119.04939	0.9
120.08112	3.2
121.02843	0.9
121.06519	0.4
124.07600	5.9
125.07146	2.3
129.10265	0.8
130.03247	2.0
130.06544	6.4
130.08633	3.3
131.04965	0.7
132.04802	24.5
133.06461	0.5
139.03908	1.6
141.04823	1.1
141.06546	2.6
142.08647	19.6
145.06461	0.7
147.04424	0.9
148.06104	0.7
149.02357	0.4
149.05988	0.6
149.07472	0.6
151.03888	0.5
157.06514	0.5
157.07654	1.1
158.02753	1.8
158.06033	3.1
159.05888	11.2
159.07990	0.5
166.08636	1.1
167.03392	0.5
171.04498	1.0
173.05917	0.9
175.05400	3.4
175.08751	0.5
176.07123	1.1
177.05478	1.4
184.09712	8.1
187.07556	0.8
197.06017	0.8
215.06984	1.9
217.04987	0.4
219.06470	0.7
231.11545	0.5
243.06577	0.9
243.11673	6.6
261.07800	2.8
261.12714	100.0
262.13031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1448
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
56.05042	7.1
56.96569	8.4
67.05494	0.9
69.03446	0.9
69.07053	2.7
70.06589	1.3
70.52279	2.0
70.52650	1.9
73.02960	0.9
83.06087	1.4
84.04512	100.0
84.08161	8.6
84.96047	1.9
85.02904	3.2
85.04819	1.2
85.08475	3.5
85.94578	0.8
86.09713	95.8
87.04439	0.8
87.10087	1.6
97.02879	1.1
97.12386	1.0
98.21373	1.1
98.97588	17.5
102.05556	16.4
110.97590	4.9
112.99156	1.7
113.07133	1.4
116.98615	4.4
124.99153	1.2
128.98604	1.6
129.06616	5.8
129.10242	2.4
132.10216	49.2
132.95850	1.8
134.99617	0.9
137.05933	0.8
140.98637	1.5
141.06604	3.5
143.00255	4.2
143.11807	1.8
144.12134	1.3
145.06506	1.2
147.11313	1.2
148.06015	0.9
152.10719	1.3
152.98711	0.9
155.00117	1.1
158.99670	2.6
160.08714	6.8
161.01176	1.5
170.99689	3.2
173.01329	1.3
173.06050	1.6
177.00749	2.6
182.99704	0.9
188.54977	0.9
191.02292	1.1
191.03978	1.1
197.12869	60.5
198.13210	1.2
201.00743	1.8
213.52948	0.8
215.06926	1.1
216.07713	3.0
219.01717	5.7
223.05174	0.9
225.12294	4.2
237.02818	3.8
243.13420	44.1
244.13673	1.2
261.02835	3.7
261.07681	1.0
261.09955	3.8
261.14807	1.2
279.03824	1.1
281.32571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1447
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
52.72160	0.8
55.01856	1.1
55.05509	2.6
56.05048	5.8
56.96567	5.3
57.07072	1.0
67.05518	1.6
69.07069	2.3
70.06589	2.2
70.10135	4.3
70.95869	1.2
72.08170	8.0
72.93807	0.9
81.03443	1.4
81.07047	1.9
84.04510	100.0
84.08143	11.5
84.96025	1.5
85.02893	4.8
85.08484	2.8
86.09711	95.3
87.10050	1.7
93.07053	0.9
96.20334	0.9
97.02919	1.6
98.97587	7.6
102.05544	14.5
107.04983	1.7
109.02865	0.9
110.07241	1.0
110.97587	2.1
113.07133	1.6
115.05418	1.2
116.98648	3.4
117.07047	1.5
119.04912	1.3
120.08153	1.4
121.02904	1.3
128.98660	1.8
129.06631	3.2
129.10254	2.6
129.54114	0.8
131.04961	1.4
132.10211	47.8
132.95830	4.5
133.06598	0.9
136.07571	1.0
141.06596	3.4
143.00099	1.3
144.06612	2.6
144.12175	1.5
145.06519	2.0
145.09990	1.1
147.04427	1.7
148.05997	1.6
150.96967	1.2
158.99672	1.7
160.08699	3.8
161.01262	1.1
162.07622	3.3
171.04509	1.4
173.06049	1.7
177.00716	1.0
187.07607	1.3
189.00644	1.8
197.05919	1.4
197.12866	54.6
201.00764	2.2
201.05537	3.1
215.06946	1.3
216.07655	1.5
219.01834	3.4
219.06485	1.2
220.98944	1.6
225.12366	6.2
233.04498	1.4
236.98500	1.1
237.02869	3.5
243.13422	48.0
260.98572	1.0
261.03214	1.8
261.07663	3.1
261.09930	2.2
261.12643	2.8
276.25015	1.1
279.03870	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1487
Annotation	Heterogorgiolide
Peak:m/z	Relative Intensity
55.01862	4.9
55.05511	3.1
56.05024	3.9
57.07075	1.8
67.05505	3.1
69.03436	8.1
69.07069	1.8
70.06577	1.7
70.75356	3.7
71.05002	21.6
72.04531	1.8
72.08121	2.2
79.05487	5.4
81.03427	14.2
81.07050	8.4
83.04977	4.3
85.02898	7.7
86.09701	5.7
91.05477	13.2
93.07059	7.6
95.01299	1.9
95.04970	6.6
95.08626	2.5
97.02910	10.1
98.09728	2.4
98.97619	1.9
103.03937	2.1
103.05462	2.2
105.07042	24.1
107.04969	5.6
107.08597	6.1
109.06519	3.6
111.08096	1.7
115.05447	4.3
117.07024	14.9
118.87204	1.5
119.08578	8.4
120.08083	4.1
121.06504	3.9
121.10118	3.5
123.04418	2.6
123.08109	3.2
128.06261	7.5
129.06989	11.6
130.07784	7.0
131.08612	12.7
132.04735	1.4
133.06503	5.0
133.10149	6.3
135.08057	3.3
141.06955	2.1
142.07755	2.2
143.08539	9.9
144.09378	2.8
145.06490	6.3
145.10126	27.3
147.08086	8.2
147.11693	2.9
151.11137	2.0
153.07010	3.1
155.08592	9.2
156.09225	2.5
156.10298	2.4
157.06471	3.5
157.10121	6.7
158.07196	8.5
159.08083	8.6
159.11702	7.8
161.09601	4.6
163.11179	3.2
165.06967	1.8
165.12770	3.7
167.08592	4.6
169.10168	2.8
171.08069	6.9
171.11673	6.1
172.08875	3.1
173.09642	71.6
173.13165	2.2
175.07562	8.9
175.11215	3.6
177.09145	3.4
177.12793	2.4
182.10844	1.8
183.08046	2.9
183.11655	6.8
185.09613	3.0
187.11171	12.6
189.09154	4.9
189.12766	2.6
191.10703	8.6
197.13318	3.8
201.09143	2.5
201.12773	9.9
215.14371	6.4
217.12375	2.4
217.43802	1.8
219.13950	3.5
225.12738	2.9
231.13794	2.0
243.13802	17.3
261.12549	3.8
261.14893	100.0
262.15201	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
52.33393	1.2
55.01868	1.4
55.05272	1.8
55.05514	20.3
59.04994	4.0
67.05511	9.1
69.06792	1.1
69.07076	13.0
69.52094	8.5
71.04977	3.4
79.05504	10.7
81.07061	30.4
83.04974	5.7
83.08633	1.8
85.06535	5.4
86.27438	1.3
91.05480	15.9
93.07050	22.4
95.08623	18.6
97.06510	2.4
99.04460	9.0
101.06003	8.3
105.07037	83.3
106.07777	1.4
107.08602	19.6
108.35381	1.2
109.06506	2.8
109.10170	7.1
117.07019	5.6
119.08588	72.5
121.10147	32.0
123.08023	1.8
123.11731	2.6
127.07565	1.3
130.07788	1.5
131.08585	13.1
133.10129	19.5
135.08058	2.6
135.11679	2.5
135.13342	1.3
143.08542	7.1
144.09326	2.1
145.10133	48.4
146.10765	1.2
147.11693	72.0
149.09618	2.0
153.09148	1.2
157.10156	6.4
159.11713	23.0
160.12469	6.2
161.13268	19.6
165.09146	1.6
167.10655	2.2
169.10165	8.4
171.03207	2.0
171.11700	3.7
173.09688	1.8
173.13255	10.6
177.09068	1.6
183.11719	6.5
187.11169	4.6
191.10696	3.5
197.13193	3.4
199.14819	3.8
201.12770	4.1
201.16437	18.4
205.12238	5.4
215.14273	1.3
215.17937	2.5
225.16403	10.5
243.17514	11.0
247.42096	1.5
260.07877	2.1
261.08829	2.9
261.18518	100.0
262.14368	2.5
262.19052	2.3
272.85361	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03931	4.1
55.01853	1.5
55.05280	0.9
55.05516	13.4
57.03433	1.4
57.07062	4.1
65.03932	2.0
67.05508	40.1
69.07071	13.5
70.95717	2.1
71.04986	2.4
71.08614	1.7
77.03928	1.2
79.05497	58.4
81.07062	47.4
81.45964	0.9
81.78136	1.0
83.04978	1.6
83.08644	6.6
85.06527	3.7
91.05488	26.6
93.07050	71.7
95.04968	3.5
95.08614	32.6
97.06534	3.5
97.10164	3.2
99.08108	3.2
105.04520	1.9
105.07039	16.9
107.08597	47.0
109.06535	1.9
109.10155	14.6
111.08109	3.5
113.09675	1.2
117.07025	7.5
119.08579	16.6
121.10147	46.4
123.08108	1.5
123.11703	4.4
125.09622	1.6
131.08577	14.6
133.10130	13.1
135.10703	2.0
135.11696	33.5
137.09566	1.3
145.10136	12.6
147.11690	12.4
149.13272	27.8
151.11302	1.1
153.12733	1.0
159.11739	9.7
161.13280	12.8
163.11040	1.0
163.14821	20.1
165.12750	1.4
173.13266	11.2
175.14838	4.0
177.16376	4.3
187.14781	7.4
189.16451	1.0
201.16400	2.8
215.17833	1.9
233.22781	1.6
243.21094	30.2
256.09689	1.0
261.22156	100.0
262.22455	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70252	1.1
53.03936	3.5
55.01861	1.1
55.05510	14.0
57.03416	1.3
57.07072	2.7
65.03931	1.6
67.05508	43.6
69.07072	12.5
69.34088	5.8
69.34515	3.8
71.04999	2.5
71.08634	1.3
74.15675	1.1
79.05495	52.2
81.07061	47.5
83.04974	1.2
83.08614	6.5
85.06522	3.6
91.05489	25.4
93.07050	73.6
95.04964	3.4
95.08611	36.2
97.06511	3.1
97.10165	2.7
98.20815	2.2
99.08073	3.8
99.26852	1.0
105.04537	2.5
105.07032	17.8
107.08601	48.6
109.06521	1.9
109.10162	15.1
111.08076	3.9
113.09596	1.2
117.07017	7.7
119.08600	13.4
121.10146	41.1
123.11720	4.3
131.08577	12.9
133.10135	11.4
135.11696	36.3
137.09612	1.1
137.13272	1.6
145.10123	12.7
147.11714	10.7
149.09544	1.2
149.13266	26.9
151.11128	1.5
159.11708	9.5
161.13246	11.6
161.89479	1.0
163.14833	17.2
165.12688	1.5
173.13263	10.3
175.14850	4.7
177.16414	5.9
179.14380	1.9
187.14821	6.9
193.11720	1.2
201.16403	2.8
215.17998	1.6
233.22644	1.2
243.21095	29.9
245.51624	1.0
261.22162	100.0
279.30905	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03951	4.3
55.05515	13.8
57.03432	1.2
57.07084	3.9
60.55912	0.9
63.49276	0.7
65.03926	2.9
67.05511	44.5
69.06725	1.1
69.07069	12.8
71.04987	3.2
71.08626	1.1
72.81522	0.7
77.03929	1.1
79.05499	60.7
81.07063	52.3
83.08626	8.7
85.06541	4.7
91.04908	1.0
91.05488	28.4
93.07049	77.9
95.04979	4.0
95.05919	0.8
95.08616	38.3
97.06530	3.2
97.10178	2.4
99.08102	3.7
105.04498	1.1
105.07038	18.6
107.08604	49.9
109.06531	1.5
109.09465	1.3
109.10163	14.9
110.09568	0.9
111.08086	3.5
113.09603	1.1
117.07018	7.7
119.07814	1.2
119.08595	16.8
121.10152	45.1
123.08074	2.2
123.11708	5.5
125.09616	0.9
131.08575	17.2
133.10135	14.5
135.08125	1.2
135.11702	35.3
137.09657	1.8
137.13281	1.3
145.10138	16.2
146.40862	1.0
147.11711	13.2
147.12834	1.7
149.09593	0.9
149.13268	31.3
151.11192	1.4
153.12675	1.3
159.11700	11.5
161.13274	10.9
163.14841	21.7
165.12727	1.0
173.13269	10.5
175.14806	4.5
177.16411	5.8
179.14421	1.1
187.14844	8.1
189.16373	1.5
201.16403	3.7
215.17967	2.4
233.22685	1.3
234.44371	0.9
242.81822	0.9
243.21095	32.2
261.22159	100.0
262.22501	1.0
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
50.84361	1.1
52.93412	1.1
53.03936	4.9
53.12942	1.1
53.85255	1.0
55.05275	1.3
55.05515	16.0
55.21237	1.3
57.03443	1.3
57.07057	3.8
66.98518	1.1
67.05502	46.3
69.07063	15.4
69.29699	2.5
69.30105	7.2
71.04986	2.6
71.08630	1.7
77.03931	3.0
79.05492	68.7
81.07056	57.6
83.04969	2.0
83.08632	6.4
85.06528	3.1
91.05482	33.9
93.07043	83.5
95.04957	3.3
95.08605	40.7
97.06509	3.6
97.10171	3.4
99.08065	4.4
105.04515	2.1
105.06393	2.1
105.07029	22.4
107.08591	52.7
109.06486	3.5
109.10152	15.9
111.08093	3.7
113.09649	1.5
115.05492	1.3
117.07015	7.5
119.06033	1.7
119.08563	17.6
121.10146	46.1
123.08094	2.6
123.11657	5.3
125.09643	1.7
131.08559	15.1
133.10112	12.7
135.11685	36.7
137.09641	2.7
137.13263	1.4
145.10129	16.3
147.11699	14.0
149.13245	29.2
151.11151	1.3
151.54950	1.1
159.11679	9.0
161.13271	12.9
163.14822	22.8
165.12770	1.5
173.13263	12.0
173.93658	1.1
175.14810	6.0
177.16350	6.2
179.14302	1.9
187.14822	7.9
201.16348	3.5
215.17897	2.5
233.22760	1.5
243.21092	32.3
252.98250	1.1
261.22131	100.0
262.22525	2.0
279.46283	1.2
282.81308	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20562	0.6
53.03941	3.4
55.01870	1.9
55.05513	16.7
55.30451	0.7
57.03428	1.5
57.07081	5.5
65.03929	1.5
67.05508	48.0
69.07073	15.4
69.10365	0.6
70.10388	0.9
70.10732	2.4
70.14211	0.7
71.04981	3.0
71.08624	2.2
77.03925	1.0
78.54553	0.8
79.05496	68.6
81.03442	0.7
81.07057	55.6
83.04967	1.3
83.08620	8.1
83.75262	0.6
85.06538	3.5
85.10190	0.8
85.22174	0.7
91.05484	32.5
93.07047	84.7
95.04974	3.8
95.08610	39.5
96.08954	0.8
97.06532	4.7
97.10183	3.4
99.08084	4.3
103.05414	0.9
105.04505	1.8
105.07034	22.6
107.08598	52.7
109.06509	2.5
109.09476	1.4
109.10164	18.5
111.08090	4.0
113.09615	1.3
115.05426	1.2
117.07032	7.8
119.06079	1.0
119.08588	18.5
121.10147	48.4
122.66622	0.6
123.08053	3.0
123.11700	5.5
125.09609	1.3
129.07005	0.8
131.08580	16.8
133.10152	16.0
135.08069	1.4
135.11694	36.4
137.09630	3.2
137.13257	1.8
145.10124	17.0
147.11702	12.5
149.13268	29.4
151.11195	1.1
151.14882	0.7
153.12816	1.1
159.11694	12.3
161.13264	13.5
163.11182	1.2
163.14830	23.4
165.12788	1.4
166.07411	0.7
173.13277	12.2
175.14867	5.1
177.12807	0.9
177.16432	5.7
179.14297	1.4
187.14821	8.5
189.16542	1.1
191.14246	0.9
201.16321	3.3
203.18040	1.0
205.15939	0.9
215.17955	2.4
217.19429	0.8
219.17421	1.6
231.11565	1.0
233.22614	1.9
243.21094	36.1
246.14052	1.6
261.16330	2.9
261.22150	100.0
262.22296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03942	4.5
55.05514	17.7
57.07074	6.8
57.22516	2.4
59.94736	2.5
67.05518	23.2
69.07074	28.4
70.76837	6.0
71.04995	10.0
71.76266	2.9
79.05496	18.8
81.07065	39.9
83.08631	9.7
85.06533	4.5
90.80289	2.7
91.05493	24.2
93.07051	96.5
95.08617	55.3
97.10160	7.7
99.08111	5.6
105.07044	50.1
107.08607	52.3
109.06551	5.6
109.09455	4.4
109.10172	41.7
111.08090	3.2
113.09677	3.5
117.07002	5.3
119.08590	49.6
121.10161	44.0
121.93879	3.3
122.14498	2.8
123.11708	8.3
123.12578	3.0
131.08577	20.0
133.10141	68.2
135.11719	31.3
137.13290	4.6
139.11157	3.2
143.08586	2.9
145.10129	25.3
147.11697	53.9
149.13264	14.4
151.11182	26.7
154.68742	3.2
157.10063	3.1
159.11711	29.5
161.13269	30.2
163.11189	3.2
163.14832	3.5
165.12729	4.6
173.13310	23.6
175.14824	9.9
179.14343	3.4
187.14838	26.3
189.16499	3.0
191.18088	6.6
201.16383	29.7
203.17973	100.0
215.17960	3.9
231.11687	3.5
243.21101	74.1
261.16367	3.7
261.22177	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	262.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93275	2.1
55.93526	22.0
56.94303	3.8
56.96555	4.9
60.05626	1.4
63.50407	1.3
66.27255	1.4
69.03426	1.9
69.07053	1.4
69.49473	7.1
69.49879	3.0
70.06609	8.1
70.95850	1.9
71.93003	3.9
72.08160	2.7
72.93789	14.9
81.03426	10.2
84.04505	4.8
84.08154	11.3
85.02901	2.5
85.04831	2.0
85.08449	3.0
86.09695	6.3
87.10045	2.4
90.94822	6.3
91.05459	3.4
97.02850	1.5
98.21613	1.4
98.97579	4.3
105.03413	1.8
107.04956	6.0
110.97623	1.5
117.05515	1.9
119.04942	2.1
120.08089	2.6
121.02877	4.6
128.96346	3.5
129.10280	2.7
132.95816	1.7
133.02852	25.9
135.04407	3.5
137.05971	11.3
140.96336	2.8
148.96820	2.9
150.98331	2.6
152.96338	4.7
162.04080	2.2
163.03883	5.5
165.05495	31.4
165.97076	3.1
166.97948	4.4
168.95792	3.2
170.97467	4.9
175.08698	2.8
176.96338	7.0
178.97821	6.7
180.95842	5.9
181.96617	2.1
182.97427	4.8
192.95857	3.5
193.96713	8.0
194.97409	16.1
196.98906	2.3
198.96964	6.6
200.98438	4.1
201.01785	3.4
205.96622	11.8
206.97406	3.1
208.95326	4.4
208.98953	3.5
209.96107	5.1
210.96913	8.2
211.97643	4.4
212.98465	11.2
214.96579	1.9
216.98015	2.0
217.99046	2.5
218.97429	3.1
220.95445	1.8
220.98975	2.4
221.96129	18.3
222.96828	4.8
223.94034	1.5
223.97662	11.0
224.98505	17.5
225.95595	9.5
226.96429	6.6
226.99994	3.6
227.97174	15.6
228.97963	3.8
235.94034	100.0
236.94725	1.9
236.98450	2.5
237.17747	1.3
237.95638	19.7
238.96320	4.2
239.00035	44.6
239.97205	18.6
240.97917	4.6
241.16537	1.4
241.98746	17.5
242.99457	6.4
243.96622	3.0
244.10854	3.4
244.13504	2.4
244.97682	2.7
246.99086	2.8
250.96227	1.7
252.97903	3.9
253.95195	2.0
255.96674	15.9
257.01129	2.7
259.99765	3.8
262.01587	7.4
262.11868	7.5
262.14905	4.7
265.00412	1.8
272.84045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47842	38.1
61.57352	33.3
70.85181	100.0
78.27065	41.7
106.38023	36.3
131.07271	39.2
143.01877	51.0
159.23254	40.0
161.03036	39.3
163.72806	36.5
203.12758	41.0
263.01691	98.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87702	0.6
52.58842	0.6
56.96571	0.6
57.67555	0.6
70.06625	1.1
70.07012	1.4
70.99855	1.7
82.99834	5.8
86.99358	0.8
101.00888	40.9
102.00993	0.6
109.66752	0.6
112.89613	18.7
113.00878	5.6
114.89348	11.0
115.02435	0.7
119.01927	29.5
120.02045	0.9
127.02454	0.7
131.01924	6.7
137.02925	1.8
139.02408	1.6
143.01909	65.2
144.01971	0.8
145.03496	2.8
155.01897	6.2
157.03464	5.5
161.02969	100.0
162.03104	1.0
163.58350	0.6
167.01982	1.1
173.02966	11.4
174.44032	0.6
175.04524	1.2
184.04530	0.9
185.02965	5.1
191.04057	6.4
197.02936	0.9
203.04021	31.3
217.05821	0.8
221.05098	5.6
239.06192	1.8
239.98473	3.0
245.05064	1.0
263.06128	36.1
264.06186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	4.4
58.52146	3.9
59.41267	3.7
61.06610	3.6
62.10046	4.1
63.63280	4.0
66.97525	4.2
70.91428	7.0
82.99845	11.3
98.97614	4.4
99.04673	4.2
99.20782	3.8
101.00896	50.8
106.36858	3.7
111.35629	4.0
113.00879	15.8
119.01938	35.0
128.41458	3.9
131.01921	27.1
143.01903	88.2
155.01881	33.8
157.03447	5.1
161.01718	7.5
161.02966	100.0
167.01904	4.0
173.02959	41.9
185.02979	9.9
191.03999	22.3
203.04036	20.9
205.87062	4.9
210.11841	3.8
221.05199	5.7
233.05003	4.8
263.01782	23.6
263.06131	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0917
Annotation	3,4-Dihydro-1,2-secomicrominutinin
Peak:m/z	Relative Intensity
55.01885	1.0
55.05504	2.8
55.75224	0.9
57.03422	1.4
67.05502	3.7
69.03421	3.9
69.07079	2.8
70.06583	2.1
70.10278	4.4
71.04990	1.4
71.47554	0.9
71.70402	0.8
79.05489	4.3
81.03422	2.5
81.07063	7.1
83.08649	1.1
85.02899	3.6
91.05488	9.0
92.86504	0.9
93.07046	4.7
95.04980	2.2
95.08600	6.9
97.02884	1.5
98.21439	1.8
99.04419	1.1
101.02378	2.9
103.05456	1.4
105.07025	5.2
107.04960	2.5
107.08605	2.7
109.02889	2.0
109.06512	2.4
109.10159	4.4
109.60300	0.9
111.08097	1.0
115.05450	4.9
116.06239	2.5
117.07029	3.6
119.03442	1.7
119.04918	1.5
119.08589	3.8
121.06499	1.6
121.10159	2.6
123.08062	1.4
123.11693	2.3
125.06033	1.6
127.03913	3.7
128.06218	3.2
129.07005	7.3
131.04970	2.0
131.08585	3.9
133.06520	1.3
133.10118	3.3
135.08093	1.7
135.11748	1.9
137.09584	1.2
137.13214	1.6
141.06992	2.5
143.04927	1.4
143.08586	2.1
144.05725	6.3
145.06503	3.8
145.10100	2.7
146.07269	1.1
147.08044	4.0
147.11653	1.1
149.09650	1.8
151.07593	1.2
153.05502	1.8
155.05994	2.2
157.06496	3.3
157.10121	2.1
158.07304	3.2
159.08069	9.4
159.11803	1.0
160.05209	2.1
161.05986	11.9
161.09608	2.3
167.07068	0.9
172.05179	2.3
173.05995	1.5
174.06740	4.8
175.07573	10.8
175.11131	1.1
176.04591	1.0
177.09119	1.3
179.08656	1.1
185.06029	1.1
185.13228	1.0
187.03960	3.1
187.07570	9.3
189.05548	1.5
189.09094	8.0
191.06960	1.2
201.05490	1.8
201.20462	1.6
202.06268	24.2
202.08142	1.4
203.07007	5.3
203.08688	2.0
203.14294	1.0
205.08495	1.1
207.10121	2.3
217.08601	12.8
219.08348	1.1
219.10226	2.8
220.05270	1.7
221.08086	1.1
230.05766	9.4
233.08105	3.0
235.07533	1.4
235.09607	2.3
245.08110	100.0
246.08382	1.7
248.08359	1.3
263.06870	3.0
263.09229	4.7
263.10962	2.3
263.13501	1.3
263.16516	3.4
263.20297	1.3
263.23990	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1391
Annotation	L-phenylalanyl-L-proline
Peak:m/z	Relative Intensity
53.03932	0.5
70.06596	33.4
71.51085	0.6
86.09708	0.6
91.05487	0.9
93.07073	2.5
103.05469	7.6
116.07099	79.0
120.08113	100.0
121.08443	0.9
124.58412	0.4
142.55661	0.5
147.11662	0.4
154.34924	0.4
176.72540	0.5
263.13895	10.5
263.16412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03949	1.4
55.01886	0.9
55.05513	16.9
57.03434	1.5
57.07082	10.5
59.74555	0.7
65.03940	2.6
67.05510	87.2
69.07073	15.1
70.33444	2.3
71.05003	1.3
71.08643	6.8
77.03897	0.7
77.16482	0.6
79.05500	22.9
81.03412	0.8
81.07063	100.0
83.04967	1.4
83.08627	14.8
85.06541	4.1
85.10181	2.7
85.72085	0.7
91.04571	0.6
91.05484	18.8
93.07051	22.9
95.04991	1.5
95.08614	81.9
97.06537	7.8
97.10176	5.0
98.21452	0.8
99.08098	5.9
105.07032	9.4
107.08603	15.2
109.06591	1.5
109.10166	46.4
111.08091	3.7
111.11716	1.2
113.09650	2.7
118.78015	0.6
119.08592	11.0
121.10155	17.1
121.52275	0.6
123.08107	2.6
123.11722	18.7
125.09640	1.3
127.11230	1.7
133.10138	14.4
135.11702	9.7
137.09634	2.1
137.13251	8.6
141.12753	1.7
147.11716	9.9
149.13280	7.2
151.11211	1.1
151.14832	6.9
155.14268	0.9
161.13274	10.8
163.14835	7.3
165.16411	7.8
175.14833	6.9
177.16393	1.2
179.17944	3.8
181.15878	1.1
189.16426	3.3
196.11542	0.7
200.02707	0.7
203.14546	0.6
203.18004	1.3
217.19560	1.1
219.21123	0.9
245.22679	28.6
259.56006	0.6
263.14664	3.4
263.23715	62.1
264.24017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	2.3
55.01850	1.0
55.05512	15.3
57.03416	2.0
57.07077	9.2
65.03931	3.3
66.65070	1.0
67.05508	85.7
69.07072	13.6
69.50294	6.8
71.04994	1.5
71.08639	5.6
78.53617	1.1
79.05064	1.7
79.05498	21.7
81.07061	100.0
83.04967	2.2
83.08623	15.0
85.06522	3.5
85.10172	2.3
90.74744	1.0
91.05486	18.9
93.07042	23.0
95.04955	1.8
95.08611	76.8
97.06529	7.0
97.10172	9.2
99.08118	5.4
100.04718	1.0
105.07036	12.7
107.08606	13.1
109.10159	44.1
111.08106	4.1
111.11710	1.1
113.09620	3.3
119.08579	11.9
121.10148	17.2
123.08054	2.2
123.11723	18.2
125.09599	1.6
127.11270	1.6
133.10133	14.4
135.11711	9.3
137.09572	3.8
137.13261	7.6
141.12769	1.7
147.11705	8.8
149.13293	6.7
151.11229	1.1
151.14842	8.3
157.55313	1.0
161.13264	11.9
163.14868	6.3
165.16368	9.6
175.14818	6.0
177.16342	2.1
179.17926	4.5
181.15941	1.8
189.16426	3.9
203.17924	1.4
217.19505	1.7
234.85271	0.9
245.22667	32.5
260.85446	1.2
263.23712	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2372
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03940	2.9
55.05518	20.1
57.07081	11.2
67.05508	35.8
69.07072	29.0
69.16416	25.7
71.04985	6.5
71.08598	2.9
79.05499	15.8
81.07063	81.3
82.07401	2.2
83.08622	15.1
85.06540	3.5
85.10175	2.4
88.07616	2.2
91.05482	10.2
93.07057	35.6
95.08614	100.0
97.10155	11.1
99.08088	6.1
105.07054	16.4
107.08599	43.6
109.10162	61.0
110.87196	2.3
111.08108	4.5
111.11716	4.1
113.09634	11.1
119.08597	19.8
121.10149	36.2
123.11715	35.1
125.09610	3.9
131.08565	2.9
133.10123	20.9
135.11691	26.0
137.13243	25.0
139.11186	2.6
147.11668	18.2
149.13275	31.7
151.14819	5.3
159.01883	2.3
161.13258	17.8
163.14850	20.5
165.12839	3.1
175.14847	22.3
177.16344	2.2
189.16414	23.2
193.15916	2.4
203.17918	5.2
205.19537	16.5
245.08109	4.6
245.22681	64.7
245.25261	3.0
263.17996	9.7
263.23703	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.29821	1.2
53.03942	2.0
54.03391	1.1
55.01845	1.6
55.05272	1.3
55.05518	16.2
57.03431	2.3
57.07079	9.6
65.03935	1.8
67.05510	75.2
67.16858	1.2
69.07071	13.3
71.08630	6.9
71.50563	1.4
79.05500	20.6
81.07064	100.0
83.08626	14.4
85.06555	4.1
85.10165	2.4
91.05490	16.7
93.07053	21.1
95.04981	1.5
95.08615	84.6
97.06533	6.0
97.10162	5.0
99.08082	4.9
105.07035	10.1
107.08616	9.8
109.10167	38.0
111.08088	3.6
113.09649	2.3
119.08576	8.8
121.10149	16.8
123.08060	2.6
123.11713	16.4
127.11186	1.6
131.39662	1.1
133.10147	12.4
135.11722	7.9
137.09642	2.7
137.13231	6.5
141.12743	1.8
147.11696	10.1
149.13272	7.0
150.87112	1.6
151.11191	1.6
151.14868	5.9
161.13274	10.6
163.14830	6.7
165.16399	8.1
175.14873	6.5
177.11607	1.3
177.16403	1.3
179.18024	2.8
181.15820	1.3
189.16348	2.7
217.19502	1.7
245.22684	25.1
263.23730	54.7
264.23984	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.01872	2.2
55.05521	14.7
57.03422	1.9
57.07076	11.8
57.38488	1.7
61.73270	1.4
65.03940	3.4
65.98219	1.5
67.05508	85.1
69.07076	15.8
70.76670	2.3
70.77022	3.4
71.04981	2.3
71.08617	6.8
74.71222	1.5
79.05495	20.6
81.07063	100.0
83.04959	2.4
83.08622	12.1
85.06546	2.7
85.10149	3.2
91.05477	18.1
93.07052	21.4
95.08613	87.2
97.06541	9.4
97.10189	7.4
99.08085	6.5
105.07030	7.7
107.08596	12.4
109.10160	44.5
111.08076	6.4
113.09651	4.3
119.08599	12.3
121.10144	18.9
123.08062	3.0
123.11703	22.1
125.09628	2.4
127.11217	2.5
133.10144	15.8
135.11702	9.1
137.09612	3.6
137.13239	6.0
147.11671	11.9
149.13274	7.9
151.14847	10.9
153.50772	1.5
155.14285	2.0
161.13269	12.2
162.18340	1.7
163.14821	10.5
165.16391	14.4
175.14879	8.2
177.16455	2.3
179.17947	2.8
189.16365	4.9
196.96364	1.6
203.17931	2.7
207.17465	1.7
217.78752	1.9
245.22664	38.6
263.23715	85.2
275.15384	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01863	1.1
55.05510	16.2
57.03437	1.8
57.07074	10.7
65.03931	2.8
67.05507	83.7
69.07070	18.1
69.26792	2.0
69.27186	7.8
71.04981	2.0
71.08640	7.6
79.05495	20.1
81.07058	100.0
83.04990	2.2
83.08154	1.3
83.08618	16.3
85.06543	4.2
85.10173	3.7
91.05480	19.3
93.06487	1.3
93.07046	24.0
94.09846	0.8
94.53587	0.8
94.61568	0.8
95.04974	1.9
95.08611	89.9
97.06542	9.1
97.10180	7.5
98.20757	1.4
99.08073	6.7
105.07035	12.2
105.07709	1.3
107.08601	16.2
109.06511	5.2
109.10160	45.5
111.08086	4.9
111.11681	1.0
113.09641	3.0
119.08583	14.5
121.10137	21.4
123.08067	3.4
123.11713	18.6
125.07163	0.9
125.09649	1.2
127.11205	1.9
131.08618	1.0
133.10126	16.4
135.11693	10.5
137.09625	2.3
137.13254	7.8
141.12766	2.6
147.11700	12.5
149.13263	11.9
151.07529	0.9
151.11227	1.7
151.14827	9.9
155.14322	1.8
161.13251	12.9
163.14824	8.3
165.16391	11.2
167.14229	1.1
170.62918	0.9
175.14795	7.5
177.16360	1.6
179.14259	1.1
179.17920	4.6
179.69371	0.9
181.02026	0.9
181.15828	1.0
189.16353	3.9
203.17967	2.3
204.90640	0.8
207.17561	0.9
217.19536	2.0
219.21068	1.2
220.89056	1.0
233.13110	1.1
236.61992	0.8
245.07874	0.9
245.22672	39.7
245.44351	0.8
248.01675	0.8
263.20154	8.1
263.23706	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	100.0
60.96924	1.0
67.98167	1.1
69.07082	0.9
70.06579	1.5
70.63165	2.6
71.95268	3.2
72.96037	4.7
74.06068	1.5
74.97620	1.2
83.97636	4.3
84.08153	1.5
84.96019	1.0
86.09704	1.0
97.02931	0.8
98.97590	21.5
100.92706	0.9
105.31265	0.8
107.04943	1.2
116.98649	6.2
120.08147	1.3
121.42729	0.8
122.07159	0.9
134.99640	1.1
144.96823	1.2
149.02678	1.5
158.99678	1.1
160.99141	1.4
162.05461	1.0
163.00644	1.3
165.02238	4.8
167.03801	1.3
176.03830	15.9
177.02251	0.8
178.05415	13.3
179.00171	3.3
181.01675	1.7
183.03313	7.2
186.02304	1.9
190.01761	3.8
192.03326	2.3
194.04884	3.7
196.06541	3.8
197.01242	2.8
201.04388	4.9
204.03345	14.9
208.00838	1.3
208.02797	8.6
210.04376	1.1
222.04390	87.4
223.04797	1.3
226.01749	0.8
226.03908	2.9
226.32759	0.9
235.39452	0.9
240.05446	50.2
241.03807	1.8
245.05994	2.5
264.05438	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	265.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63194	7.0
78.29626	2.8
79.05522	4.4
81.48967	2.5
82.21133	2.7
83.04968	3.5
84.24791	3.0
85.02868	2.7
91.05475	6.7
103.05456	10.7
105.07033	5.0
107.05001	2.4
107.08618	3.5
109.06508	3.3
115.05444	25.7
117.07023	43.2
120.08119	19.3
122.07147	6.0
125.32939	2.5
128.06259	3.1
129.07027	4.0
131.08595	6.4
144.05745	4.8
145.06491	76.0
155.05966	14.5
156.05705	17.8
157.06485	5.8
159.08051	3.6
159.11813	3.1
161.05984	4.5
173.05992	100.0
175.03957	4.0
175.07564	7.6
187.07501	6.2
190.06247	42.6
193.08592	2.9
197.40269	2.4
202.06210	6.5
203.07068	14.6
205.08601	72.1
206.08742	2.8
217.08624	52.5
219.10248	3.7
220.09685	6.6
235.09618	7.9
247.09665	3.6
265.08438	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	265.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45235	2.5
52.86584	2.9
54.75864	2.7
55.01870	3.2
55.05513	6.4
57.03426	4.2
60.65010	2.9
65.03944	4.2
66.16296	2.5
67.05493	5.3
69.07072	4.7
70.06596	7.4
70.36106	8.2
70.36457	4.4
72.08161	20.4
73.02905	2.7
79.05492	6.8
81.03427	6.3
81.07063	8.0
83.05003	4.9
84.08151	4.0
85.02904	7.4
86.09712	4.6
91.05495	12.3
93.07030	8.3
95.04964	5.7
95.08614	5.0
103.05462	9.6
105.07032	11.5
107.04976	3.9
107.08615	6.0
109.02889	3.4
111.04436	5.0
115.05476	29.3
117.06228	5.6
117.07023	46.4
119.08601	10.4
120.08135	11.3
121.02889	10.7
121.06506	3.6
122.07169	18.2
122.09649	3.0
123.08055	3.6
128.06192	6.4
129.07019	7.9
130.04031	3.2
131.04942	6.1
131.08597	7.4
133.06506	4.2
133.10135	5.9
135.11749	3.0
144.04771	5.7
145.06506	76.6
145.10100	9.1
147.04430	6.3
147.08061	3.4
149.02306	3.7
155.06042	21.0
156.05739	23.9
157.06511	7.9
157.10080	3.1
159.04474	4.0
159.08121	7.9
161.05998	10.6
161.09708	4.5
163.03911	10.7
163.11237	3.5
165.06985	3.5
165.09148	3.9
167.07115	3.6
173.05995	100.0
175.03976	3.3
175.07581	7.3
175.11252	3.8
179.08626	5.0
187.07611	5.0
187.11340	3.2
190.06271	36.3
194.07207	6.6
201.12747	3.7
202.06270	3.6
203.07040	12.3
205.04819	3.3
205.06664	4.3
205.08598	73.1
207.08138	6.0
217.08643	43.9
219.10217	5.7
222.06773	10.3
230.05782	2.9
234.06885	3.4
235.09720	4.4
237.07277	4.0
237.09360	5.2
247.09750	8.8
247.13242	4.4
250.06252	5.4
265.08569	29.4
265.11102	6.9
265.14661	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	265.1073
Annotation	Scytalol D
Peak:m/z	Relative Intensity
55.01875	9.1
55.05521	5.8
56.50697	2.9
59.65718	3.5
67.05507	7.5
69.03439	5.0
69.07070	5.5
70.56335	6.0
70.56660	3.7
71.04967	4.9
79.05489	14.4
81.03413	16.5
81.07063	19.8
83.04978	9.3
85.06566	4.4
91.05474	24.2
93.07043	10.5
93.87184	3.5
95.04985	6.5
95.08621	16.6
98.21488	3.8
103.05475	7.3
105.07052	15.3
107.04961	28.2
107.08617	7.0
109.06522	4.7
109.10136	9.1
115.05473	42.0
116.06260	5.7
117.07020	44.5
119.08598	11.1
121.02880	8.9
121.06523	3.3
121.10165	4.4
122.07151	19.3
123.11703	2.9
124.05198	4.0
128.06247	8.8
129.07013	25.0
131.04901	12.1
131.08574	23.4
132.05746	4.7
133.06502	8.3
135.08092	6.7
139.03915	7.8
141.07001	15.4
143.04939	10.9
144.04724	6.2
144.05708	30.6
145.06500	74.3
145.10153	8.6
147.04454	5.7
147.08075	6.6
149.09642	3.7
152.04721	4.4
155.04945	5.5
155.06055	14.8
156.05685	15.2
157.06548	18.4
158.07312	8.8
159.04489	6.3
159.08066	39.5
159.11656	4.5
160.05203	7.5
161.06064	15.3
161.13243	4.1
165.07063	5.0
167.07045	43.8
169.06412	5.6
169.07698	5.2
171.04420	5.5
172.05235	5.6
173.05989	100.0
175.03981	5.3
175.07533	17.6
177.06979	3.3
177.09157	11.2
178.06168	3.6
180.42017	3.4
183.11722	3.4
186.06799	3.2
187.07529	46.0
189.05525	5.1
190.06261	38.8
191.07014	13.2
192.07837	5.0
193.08638	10.9
194.07256	10.6
202.06244	4.6
203.07028	20.5
203.10608	6.2
205.06628	7.2
205.08585	91.9
207.10175	5.8
215.07100	14.3
217.08615	40.9
218.09419	21.4
219.10143	35.9
222.06857	7.5
229.08545	4.4
233.08047	4.0
235.09634	9.2
237.09143	8.9
245.56519	3.3
247.09689	57.4
247.17039	4.3
250.06337	7.8
265.08435	30.2
265.11020	26.5
265.15720	7.4
265.17886	4.6
265.19864	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	265.1436
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
53.03932	7.4
55.01867	5.9
55.05513	14.2
60.19050	3.9
65.03928	11.1
66.20805	4.2
67.05511	26.9
68.88019	3.9
69.03431	40.9
71.04984	7.6
71.17000	10.1
72.08160	9.9
79.05499	25.0
81.07068	19.9
83.04972	9.6
83.25059	4.7
91.05479	58.5
93.03401	4.1
93.07043	52.2
95.04970	37.3
95.08607	17.3
97.06549	11.0
99.04482	5.0
103.05476	9.6
104.58457	4.3
105.07041	70.0
107.04959	9.3
107.08605	28.7
109.06505	24.7
109.10145	5.4
111.04447	31.8
111.08082	10.6
113.06004	17.6
115.05441	9.2
116.06220	5.6
116.50454	4.8
117.07011	16.8
119.08588	94.0
120.08107	100.0
121.02868	14.9
121.06499	54.1
121.10136	13.5
122.07123	6.1
123.08056	24.1
128.06248	13.9
129.07045	22.0
130.07800	7.0
131.08569	48.7
133.06514	13.1
133.10150	23.9
135.08057	79.9
137.09625	18.8
139.03925	11.3
139.07556	5.6
141.07018	13.8
142.07803	8.7
143.08556	19.3
144.05791	7.7
144.09343	8.3
145.06528	21.4
145.10141	32.1
147.08051	47.3
147.11688	19.5
149.09663	10.7
151.07530	5.9
153.07007	8.0
155.08525	10.8
156.09328	9.3
157.10156	21.9
158.07271	23.9
158.10933	11.3
159.08087	38.8
159.11693	40.0
160.08887	10.4
161.09631	39.5
161.13229	5.6
165.09099	33.7
168.09306	5.3
171.08098	7.4
171.11745	7.5
172.08852	25.9
173.09644	24.9
173.13257	15.1
175.07568	75.1
175.11194	35.1
181.04897	6.7
181.06433	5.2
183.11685	12.8
186.10265	6.9
187.11153	38.7
189.09137	8.5
189.12720	16.0
193.08595	16.3
193.10158	5.0
196.08815	9.4
199.11189	12.8
201.12718	37.6
203.10701	41.2
205.12280	6.4
211.11299	21.1
217.12263	22.9
219.13838	4.9
219.75804	4.6
229.12141	22.1
235.13237	8.7
247.13275	42.3
265.14471	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	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
50.03455	3.2
52.05323	2.9
53.03926	5.1
55.05504	13.0
56.05030	11.2
63.00717	5.7
65.03936	11.3
67.05511	27.0
69.03428	32.8
69.07062	6.9
70.06599	16.5
71.04984	9.3
71.47654	4.7
72.08154	20.1
79.05499	18.1
81.07070	16.9
81.56911	3.1
83.04978	9.0
84.08128	3.6
85.06547	6.6
86.09718	5.4
91.05484	53.0
93.07052	41.9
95.04377	4.0
95.04977	45.9
95.08612	22.4
97.02881	6.0
97.06541	8.4
99.04457	7.5
103.05473	11.5
105.07037	72.2
106.04915	13.8
107.04916	3.7
107.08618	23.0
109.06517	27.3
109.10163	12.8
110.07159	13.1
111.04448	30.1
111.08084	8.3
113.06014	14.8
115.05455	6.9
116.06237	5.3
117.07027	20.2
118.06558	3.9
119.08591	92.5
120.08114	100.0
120.87212	3.3
121.02853	17.0
121.06509	46.9
121.08419	3.1
121.10141	9.8
122.07175	13.3
123.04421	5.7
123.08067	23.4
128.06209	9.8
129.06992	20.3
130.07794	9.3
131.08580	46.7
132.05769	3.4
133.06496	6.1
133.10167	21.8
135.08055	92.8
137.09592	18.3
139.03899	11.3
139.07516	7.7
141.06987	11.1
142.07793	15.9
143.08583	19.7
144.04713	4.4
144.05707	4.5
144.09349	13.5
145.02824	5.7
145.06493	20.5
145.10127	30.5
147.08057	45.3
147.11653	12.9
149.06000	8.0
149.09590	13.0
151.07588	5.0
153.09129	3.4
154.07845	4.5
155.08546	9.5
156.07722	12.8
156.09326	8.5
157.06406	5.0
157.10132	19.5
158.07285	22.9
159.08066	38.4
159.11705	40.6
161.05959	5.6
161.09631	40.1
165.09109	29.9
168.09393	8.9
171.08075	7.0
171.11714	12.4
172.08853	27.9
173.09610	20.9
173.13318	21.4
174.13458	3.2
175.07562	77.3
175.11153	38.4
177.05463	11.5
181.06406	4.4
181.10153	4.3
183.11694	13.2
185.09648	7.3
186.10432	6.4
187.11177	41.1
189.09105	12.8
189.12733	17.0
193.08620	21.5
193.10170	6.1
196.08830	7.5
199.11197	17.2
201.12769	36.0
203.10658	48.0
205.12297	7.9
207.10187	8.0
211.11195	21.3
217.12262	21.8
219.13797	11.4
223.44537	3.5
229.12222	28.5
235.13406	7.2
247.13251	49.4
253.13036	6.6
265.14313	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	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03968	6.4
55.01864	6.7
55.05511	19.8
56.96579	5.0
57.07063	9.3
59.04990	16.4
65.03940	6.1
67.05497	19.1
68.99781	5.3
69.03439	36.6
69.07066	11.8
71.04980	5.6
71.19592	10.1
72.08149	15.8
73.02919	6.3
77.93288	3.8
78.79201	3.8
79.05492	20.7
81.03408	18.3
81.07045	14.8
83.04986	58.5
84.08130	5.7
85.06538	9.2
87.04459	4.4
91.05474	29.6
93.07059	31.2
95.04961	19.2
95.08602	11.2
97.02886	23.2
97.06496	5.5
98.97570	8.0
105.07030	28.5
107.04958	9.3
107.08601	39.7
109.02894	20.3
109.06522	15.6
109.10136	9.2
111.04457	35.5
111.08118	9.9
113.06007	23.0
115.05461	8.7
117.07019	19.9
119.04948	6.4
119.08586	30.8
120.08102	10.4
121.02871	16.5
121.06525	41.7
121.10138	8.8
122.07171	24.3
123.04470	5.8
123.08066	23.9
125.05977	6.1
125.09597	8.3
128.98607	5.8
129.07008	9.7
131.04839	5.6
131.08598	22.8
133.06487	10.1
133.10123	12.7
135.08067	80.8
135.11650	9.2
137.05972	9.5
137.09628	8.8
141.06978	7.8
143.00177	8.0
143.08577	8.8
144.04765	6.5
144.09338	6.2
145.06483	26.2
145.10118	16.0
147.08055	15.9
147.11690	10.8
148.35878	5.0
149.06026	12.0
149.09615	22.3
149.74123	4.5
153.09111	18.4
158.10866	9.0
159.08043	10.9
159.11708	23.3
160.08797	6.9
161.05972	8.0
161.09592	14.3
163.03914	5.4
163.07556	61.0
163.11176	18.3
165.09129	11.2
166.07779	4.0
172.08789	16.0
173.05986	12.6
173.09631	11.8
173.13269	30.8
175.01540	6.0
175.07533	7.2
175.11078	4.4
177.12834	7.3
181.09998	5.5
183.11739	6.5
186.10439	10.1
187.07545	6.6
187.11159	55.5
189.09108	6.2
190.06203	4.7
191.06967	28.4
193.08589	4.9
194.07237	8.1
201.12700	36.5
205.06586	10.3
205.08522	9.6
205.12225	18.4
209.08058	10.4
211.11267	9.0
219.10249	4.5
219.13803	20.0
222.06735	6.4
229.12221	57.0
237.09154	5.7
247.13297	100.0
250.06120	4.9
265.08572	20.1
265.14438	38.0
285.59225	4.3
287.05521	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	265.1548
Annotation	Val Phe
Peak:m/z	Relative Intensity
53.03940	0.4
55.05518	13.0
57.05823	1.7
70.12948	1.1
72.08160	100.0
73.08494	0.5
93.07078	0.3
94.73161	0.3
120.08115	14.1
131.04990	0.3
149.06068	0.3
166.08653	10.0
191.82491	0.3
219.14969	0.4
230.73451	0.3
241.43513	0.3
265.15393	2.4
272.73120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1549
Annotation	H-Phe-Val-OH
Peak:m/z	Relative Intensity
53.03946	0.3
55.05500	0.4
60.41859	0.2
63.69550	0.2
66.39626	0.2
67.05518	0.3
69.03426	0.6
70.06589	0.4
70.65592	0.3
70.65971	0.6
72.08163	5.3
72.76714	0.2
79.05481	0.2
86.09688	0.2
91.05465	1.2
93.07062	2.4
95.04975	0.7
95.08598	0.4
103.05479	6.1
105.07021	1.0
107.08584	0.2
109.06520	0.4
111.04466	0.4
115.05400	0.2
117.07027	0.2
118.06520	0.2
118.08662	1.8
119.08604	0.8
120.08115	100.0
121.02851	0.3
121.06496	0.4
121.08463	0.6
122.07162	0.7
123.08110	0.2
131.08568	0.5
133.06514	0.2
135.08107	0.9
143.08635	0.2
145.06453	0.2
145.10178	0.4
147.08057	0.3
157.10187	0.3
158.07278	0.3
159.08112	0.7
159.11710	0.5
161.09673	0.5
165.09099	0.3
171.08096	0.3
175.07495	0.9
175.11261	0.5
181.04927	0.2
187.11261	0.5
188.06987	0.2
194.87175	0.2
199.11273	0.3
201.12750	0.3
203.10754	0.4
217.12201	0.3
219.14987	1.8
229.12241	0.3
247.13243	0.5
265.15527	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	265.2528
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03927	7.0
55.05519	61.3
57.07074	28.3
66.88331	2.9
67.05191	3.5
67.05512	59.5
67.41899	3.1
69.07073	88.7
71.08619	13.3
71.51937	3.6
71.52320	5.1
79.05500	32.6
81.07066	80.2
83.04954	3.4
83.08625	63.9
85.06541	6.1
85.10180	6.9
91.05472	7.3
93.07044	39.8
95.08613	77.3
97.06534	22.8
97.10187	44.0
99.08105	4.6
107.08598	28.0
109.10155	43.6
111.08061	12.1
111.11751	18.8
121.10155	67.1
123.11723	19.7
125.09652	6.0
135.11702	45.7
137.13260	4.2
139.11127	3.7
143.62305	3.2
149.13264	19.9
151.14746	6.2
163.14841	6.9
163.94548	3.2
165.16423	6.6
227.60504	3.6
241.98677	8.3
247.24205	43.2
265.09595	3.5
265.19479	4.0
265.25269	100.0
268.32898	3.3
281.21039	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	265.2528
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
50.53911	1.2
53.03943	3.7
54.61644	1.1
55.01863	1.0
55.05515	64.7
57.03430	2.5
57.07080	29.0
57.33194	1.1
65.03951	1.0
67.05509	58.9
69.07072	89.0
69.87949	5.4
71.04976	3.7
71.08639	16.2
71.47546	0.9
77.39480	1.0
79.05496	34.0
81.07063	72.4
83.04974	1.4
83.08623	58.8
85.06551	5.4
85.10175	7.8
91.05488	4.9
93.07049	43.8
95.04979	1.2
95.08614	69.8
97.06538	20.4
97.10176	41.1
98.21447	1.2
99.08089	5.2
105.07004	1.7
105.23375	1.0
107.08605	25.6
109.10156	30.8
111.08096	13.4
111.11724	12.2
113.09628	2.6
121.10153	56.7
123.11726	12.5
125.09639	4.8
125.13293	3.9
132.10165	3.3
135.11700	47.4
137.13246	4.5
139.11185	3.2
149.13268	18.3
151.14821	7.0
153.12807	1.4
163.14824	6.9
165.16380	6.3
177.16423	3.2
183.17403	1.2
191.17896	3.4
205.19528	1.4
217.34128	1.0
225.49997	1.0
241.98895	1.5
242.65994	1.1
247.24222	39.7
256.26459	4.5
265.25281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04894	1.4
53.03944	2.6
55.05515	67.7
57.03436	2.2
57.06833	2.2
57.07079	30.9
62.86440	1.7
65.03938	2.5
67.05509	67.9
69.07073	96.0
70.06580	1.8
71.04994	4.6
71.08635	18.4
71.52179	1.7
79.05501	37.8
80.30769	1.5
81.07061	82.9
83.04987	3.0
83.08626	65.4
85.06535	5.4
85.10188	10.3
86.23412	1.7
91.05478	6.4
93.07051	46.7
95.08614	76.5
97.06541	23.1
97.10179	42.2
97.24728	1.7
99.08095	4.3
105.07005	3.2
107.08598	26.9
109.10163	43.0
111.08092	15.1
111.11741	15.3
115.82168	1.5
119.08508	1.4
121.10149	61.4
122.07161	3.1
123.11718	14.9
125.09631	6.1
125.13261	2.9
131.08566	1.7
132.10229	3.5
135.10689	3.4
135.11699	47.7
136.37990	1.7
137.13251	7.3
139.11203	3.5
149.13263	15.0
151.14813	6.4
159.11754	1.6
163.14859	5.0
165.16389	6.0
169.15871	1.9
177.16389	3.9
179.17996	1.7
191.17891	2.3
196.96594	1.8
205.19408	1.9
223.14589	1.6
241.98657	3.7
247.24243	44.4
256.26538	3.2
265.19470	6.7
265.25281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2529
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.00303	0.7
53.03937	2.9
55.01867	1.5
55.05516	67.4
57.03427	3.3
57.07082	24.2
64.52980	0.9
65.03943	1.8
67.05511	59.1
69.07074	89.6
69.25946	2.6
69.26372	4.8
71.04981	3.8
71.08639	11.9
73.40567	0.8
73.84966	0.8
77.03905	0.9
79.05500	33.5
81.07065	75.5
83.04967	2.7
83.08627	63.8
85.06550	3.9
85.10194	7.1
90.85206	0.8
91.05481	6.5
93.07054	44.2
95.04987	1.8
95.08615	74.7
97.06539	21.3
97.10179	41.2
99.08092	4.0
105.07036	2.4
107.08601	28.0
109.10168	38.5
109.10925	1.2
111.08093	13.8
111.10948	0.9
111.11729	17.2
113.09666	2.6
116.85936	0.9
119.08604	0.9
121.10152	59.2
122.07141	1.1
123.11720	14.1
125.09646	4.2
125.13277	3.3
127.11208	1.7
129.12735	1.5
135.11705	45.5
137.13264	6.9
139.11172	3.3
139.14766	0.9
143.14433	0.9
149.12067	1.1
149.13266	22.2
151.14813	7.1
153.12772	1.7
155.14249	1.7
157.88414	0.8
163.14862	7.3
165.16418	6.5
177.16367	3.4
179.17935	1.2
191.17926	3.9
205.19504	1.4
223.47502	0.8
241.98807	1.0
243.20888	0.7
247.24251	41.7
265.25290	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1341
Annotation	H-Thr-Phe-OH
Peak:m/z	Relative Intensity
53.79744	0.6
56.05041	19.6
56.95685	0.5
57.03453	3.3
58.06602	4.0
62.68276	0.5
70.06595	0.8
70.38900	1.0
70.39291	1.2
71.20621	0.7
73.27957	0.5
74.06085	100.0
75.04472	0.6
75.77131	0.5
84.04507	3.7
85.02876	0.6
91.05502	1.5
93.07052	0.8
101.07162	1.8
103.05486	2.0
105.07040	1.3
107.04982	2.0
110.07188	0.7
120.08113	57.8
131.04976	1.6
136.06200	4.6
149.06007	0.6
158.09631	1.5
160.11230	0.6
163.03874	0.6
166.08653	38.6
176.10756	1.5
177.10324	0.9
203.11806	1.5
221.12845	7.7
221.14793	0.6
249.12390	3.8
267.13422	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
53.20338	0.2
54.23985	0.2
54.92159	0.2
57.03424	0.6
58.95245	0.2
69.03457	0.2
69.32705	0.2
69.33092	0.6
69.33510	1.0
73.02921	0.3
74.05275	0.2
79.41241	0.2
85.02897	0.5
94.04050	0.4
119.03554	1.3
132.67268	0.2
133.05017	0.2
136.06198	100.0
137.04637	0.4
137.06645	0.3
147.88434	0.2
169.60295	0.2
268.10410	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
50.28231	0.2
55.01868	0.3
56.82178	0.2
57.03431	0.4
65.40912	0.2
70.90150	0.3
70.90497	0.3
71.17086	0.2
85.02899	0.4
94.04057	0.2
95.91256	0.2
119.03556	1.1
133.09525	0.2
136.06187	100.0
137.04602	0.4
268.10403	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	268.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.0
57.03434	2.2
62.06092	93.5
65.36753	1.0
70.00132	1.0
70.02950	4.6
70.06586	4.5
71.50762	1.0
72.08132	1.4
74.06068	1.0
81.03394	1.6
81.07034	1.2
84.08142	3.1
85.02885	1.3
86.05583	1.9
86.06071	24.5
86.09705	2.3
87.04475	1.2
88.03976	2.7
91.05483	100.0
92.05798	2.0
93.07059	1.5
99.30069	1.1
103.05482	2.6
110.07199	1.6
115.05470	6.2
117.07020	24.1
119.04993	1.7
120.08095	3.4
124.03979	1.3
126.01101	1.3
133.06500	1.5
135.08035	9.4
136.06187	83.1
140.81482	1.3
145.06483	17.5
152.05684	4.4
155.06035	4.1
161.05971	4.5
162.06349	1.8
171.04395	1.7
171.54309	1.3
175.03804	1.2
178.06248	2.3
179.06596	7.5
186.09151	1.2
189.05443	4.1
193.08360	1.4
194.08945	3.4
204.10199	67.7
207.42967	1.1
222.11258	87.5
250.10721	3.3
250.71701	1.2
268.11670	8.6
269.08197	1.8
275.33740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	2.0
57.03434	2.2
62.06092	93.5
65.36753	1.0
70.00132	1.0
70.02950	4.6
70.06586	4.5
71.50762	1.0
72.08132	1.4
74.06068	1.0
81.03394	1.6
81.07034	1.2
84.08142	3.1
85.02885	1.3
86.05583	1.9
86.06071	24.5
86.09705	2.3
87.04475	1.2
88.03976	2.7
91.05483	100.0
92.05798	2.0
93.07059	1.5
99.30069	1.1
103.05482	2.6
110.07199	1.6
115.05470	6.2
117.07020	24.1
119.04993	1.7
120.08095	3.4
124.03979	1.3
126.01101	1.3
133.06500	1.5
135.08035	9.4
136.06187	83.1
140.81482	1.3
145.06483	17.5
152.05684	4.4
155.06035	4.1
161.05971	4.5
162.06349	1.8
171.04395	1.7
171.54309	1.3
175.03804	1.2
178.06248	2.3
179.06596	7.5
186.09151	1.2
189.05443	4.1
193.08360	1.4
194.08945	3.4
204.10199	67.7
207.42967	1.1
222.11258	87.5
250.10721	3.3
250.71701	1.2
268.11670	8.6
269.08197	1.8
275.33740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0811
Annotation	Dalbergin
Peak:m/z	Relative Intensity
54.17889	0.4
55.01879	12.0
55.05492	0.7
55.14640	0.5
57.03423	0.9
65.72070	0.4
67.05496	1.5
69.07074	1.1
69.75752	2.7
79.05475	1.1
81.07055	2.0
83.08587	0.7
91.05476	1.1
93.07040	1.9
98.20792	0.6
107.08588	0.7
109.02872	1.2
115.33675	0.5
115.83366	0.4
121.06492	0.6
121.10157	0.8
128.06242	0.5
133.10132	0.5
135.04408	0.9
137.05795	0.5
141.07011	1.2
143.52922	0.5
147.04387	0.8
149.13272	0.6
152.06204	3.3
153.07013	6.0
154.07790	0.8
155.04909	1.3
155.08521	1.6
157.06523	0.5
159.11717	0.9
165.07010	2.6
167.08597	0.8
168.05721	15.8
169.06512	3.3
170.07300	3.0
171.08054	1.4
179.37471	0.5
180.05734	1.4
181.06464	5.9
182.07262	3.5
183.00406	0.5
183.04388	1.9
183.08124	2.2
185.06015	1.8
185.09578	0.8
186.06708	1.1
187.07565	0.6
195.08072	2.9
196.05223	6.4
197.06001	2.2
198.06783	16.8
199.07527	1.6
208.05225	1.8
209.05907	2.3
210.06746	4.5
211.07539	8.1
212.08371	0.9
213.05536	1.1
213.09122	3.5
217.08525	0.9
223.07468	3.5
225.05484	1.9
226.06245	14.6
241.08607	57.4
249.65919	0.6
254.05844	0.5
269.08099	100.0
269.26666	0.5
270.08267	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47053	1.3
53.03946	5.3
55.01874	9.4
55.05515	15.3
57.03448	10.6
65.03939	3.1
67.05135	1.8
67.05505	33.4
69.03433	49.0
69.07073	19.2
71.04982	4.5
71.51322	2.9
72.38758	1.4
73.02930	2.5
77.03923	2.8
79.05498	21.7
81.03419	18.6
81.07059	57.7
83.04987	6.4
83.08630	10.9
85.06536	3.1
91.04903	2.0
91.05483	48.8
93.07047	53.8
95.04956	5.5
95.08611	20.8
97.06538	6.2
97.10166	2.7
99.04481	8.2
99.08078	2.2
102.43953	1.3
103.03947	3.3
103.05463	4.4
105.03381	2.6
105.04528	2.6
105.07034	22.0
107.04964	15.6
107.08599	21.3
109.02890	8.8
109.06506	2.4
109.10171	7.0
111.08096	3.8
115.05452	10.8
116.06264	2.4
117.07018	10.8
119.04957	16.9
119.08598	11.2
121.06509	21.2
121.10151	12.8
123.08060	2.2
123.11692	3.9
128.06232	12.7
129.06999	11.7
130.07835	1.4
131.04932	5.4
131.08577	17.5
133.02853	3.8
133.06499	12.3
133.10158	10.0
135.04422	100.0
135.11687	7.8
136.06158	2.4
137.05934	13.3
139.03893	1.5
141.06972	11.6
142.07802	2.8
143.04979	1.7
143.08577	15.4
144.05707	26.6
145.06497	14.6
145.10107	7.3
147.04411	75.9
147.08054	5.0
147.11665	7.7
148.04669	1.4
149.05992	48.2
149.13263	21.3
151.03912	22.4
152.06229	4.7
153.06969	12.7
155.06038	3.1
155.08545	3.8
156.09354	2.3
157.06499	12.7
157.10100	10.7
159.04472	2.1
159.08029	8.5
159.11717	20.5
160.05225	2.8
161.06036	6.2
161.13264	5.9
165.05496	10.7
165.07025	4.2
167.08611	4.7
167.14366	2.6
169.06467	6.0
169.10121	5.0
171.08089	6.4
171.11710	8.8
172.05171	2.6
173.05975	21.5
173.09570	1.6
173.13292	5.2
175.07571	2.1
175.14821	4.7
177.06929	1.6
177.12720	4.9
179.08569	1.6
181.06487	12.1
181.10182	3.6
183.11681	2.4
184.05067	1.6
185.06026	17.2
185.13274	6.4
187.07549	11.9
187.14767	2.4
191.08658	1.5
194.07309	1.9
194.10823	1.8
195.08086	3.2
195.11609	2.0
195.13821	6.3
197.06009	4.0
198.06805	3.3
199.07571	13.0
199.14812	6.8
203.07051	11.9
209.06026	5.2
209.09616	3.7
211.07553	1.9
211.11131	2.9
211.14861	2.0
213.16389	7.4
215.07083	18.0
217.08658	4.2
223.07623	6.9
223.14944	1.6
224.08243	2.0
224.30072	1.5
225.16319	2.1
226.06227	3.9
227.17888	3.0
231.15973	2.6
233.08173	8.7
237.05476	2.0
237.09120	4.0
241.08578	8.3
251.09258	4.2
251.14287	2.0
269.07999	17.3
269.10336	22.8
269.15271	4.0
269.17398	25.3
269.22549	36.7
281.13531	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1611
Annotation	Histidylleucine
Peak:m/z	Relative Intensity
53.03950	0.4
55.01870	0.7
55.05524	0.3
56.05037	1.2
56.96568	4.6
57.03427	0.7
58.31607	0.3
60.04527	2.5
61.02926	1.2
69.03431	1.8
69.07088	0.5
70.06592	1.4
70.68739	0.3
70.98124	0.8
71.04998	0.8
71.50187	0.5
71.95261	0.5
72.93793	1.0
73.02910	0.7
81.03429	0.6
81.04544	0.7
82.05309	0.5
83.05012	0.5
83.06108	9.5
84.08134	1.4
84.96044	0.7
85.02917	2.4
86.09718	3.9
87.04449	0.4
90.94843	0.3
91.05480	3.0
93.04528	6.9
95.06101	1.7
97.02888	1.8
98.97583	4.2
99.04447	0.5
101.00854	0.7
107.04951	0.4
109.02917	0.5
110.07169	100.0
110.97560	1.5
111.07509	0.4
112.99138	0.6
113.00859	0.7
115.02422	0.6
116.98625	1.1
119.01901	1.3
119.04925	1.7
121.04031	0.4
122.07152	0.8
123.04459	0.5
124.91274	0.3
124.99081	0.3
127.03928	0.9
127.08620	0.3
128.96375	0.4
128.98642	0.8
129.10229	0.4
131.01918	0.6
133.03505	0.5
136.06277	0.9
136.07590	11.3
137.06638	0.5
138.06647	2.9
141.82005	0.3
143.00142	0.7
143.01865	0.5
145.03419	0.6
146.99625	0.6
152.07025	0.6
155.00214	0.6
156.07695	15.0
157.03510	0.4
158.99709	0.5
161.02913	0.6
165.05467	1.5
166.06136	0.8
168.98103	0.4
172.97540	0.4
173.01291	0.5
173.02925	0.6
174.55240	0.4
175.04448	0.5
177.00780	0.4
178.13406	3.0
182.08080	1.6
185.02963	0.6
186.99179	0.5
189.00706	0.4
189.02415	0.3
189.04041	0.4
190.13416	0.4
195.49742	0.3
201.00755	0.8
219.01790	0.7
221.05228	0.4
223.10803	0.3
223.15532	5.3
251.10890	0.5
251.15041	8.0
263.96933	0.4
264.96378	0.7
269.11301	1.1
269.16080	14.2
286.97519	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01878	10.8
55.05514	19.5
57.03197	2.0
57.03439	30.7
57.07071	3.3
59.55628	1.6
64.41372	1.6
65.03927	2.2
67.05507	73.2
69.03412	3.4
69.07073	30.9
71.04973	7.2
71.48107	2.8
79.05495	45.1
81.03410	4.3
81.07056	100.0
83.04984	10.7
83.08624	18.4
85.06527	6.2
91.05491	23.1
93.07047	61.0
95.04964	6.9
95.08610	21.8
97.06516	10.8
99.08092	4.9
105.07031	10.9
107.08598	35.5
109.02937	2.7
109.06493	1.8
109.10175	4.8
111.08076	8.7
111.11738	2.1
112.18404	1.5
113.06046	2.6
113.09634	2.8
116.94724	1.8
117.07004	9.4
119.08582	4.7
121.06512	3.3
121.10138	21.9
123.11703	3.3
128.06198	3.2
129.06975	3.7
131.08551	10.4
133.10139	7.3
135.04431	3.3
135.08067	2.8
135.11708	11.3
136.06165	4.1
139.11186	1.9
141.07028	3.0
142.07744	1.9
143.08546	4.1
145.10040	1.8
147.04373	3.4
147.11649	2.6
149.01979	1.8
149.05963	2.3
149.13269	40.9
152.06152	2.2
153.07001	6.4
155.08510	2.4
157.06537	2.4
159.11685	19.1
165.07027	2.7
167.08614	2.1
168.05659	8.5
169.06520	3.8
170.07172	2.2
171.08057	4.6
172.05299	1.7
174.50072	1.7
177.12694	9.1
181.06456	8.6
182.07275	2.6
183.04396	2.1
195.07997	2.7
195.12102	1.8
195.13828	10.3
196.05219	3.9
198.06763	6.8
199.07523	7.2
199.14754	2.9
209.05937	2.5
211.07553	6.9
213.09094	1.9
216.17667	1.7
217.08623	3.4
223.07558	4.1
224.08092	2.4
226.06143	7.7
241.08577	28.1
251.14439	1.9
254.09349	1.9
269.08087	58.1
269.11612	9.0
269.17297	32.0
269.22598	3.9
269.26718	3.0
270.08578	2.2
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	Unknow
Peak:m/z	Relative Intensity
51.82716	2.2
51.93067	2.2
53.03949	7.5
55.01859	7.0
55.05515	25.9
57.03439	44.5
57.07071	6.4
65.03945	3.1
67.05508	80.6
67.73114	2.2
69.07077	37.6
71.04987	7.4
79.05499	52.1
81.03439	2.9
81.07063	100.0
83.04990	8.7
83.08629	20.3
85.02891	3.1
85.06555	5.5
91.05489	33.9
93.07050	87.4
95.04959	5.8
95.08609	33.7
95.14170	2.5
97.06541	19.1
97.10167	2.8
99.08103	4.5
105.07027	14.7
107.08607	41.6
109.10168	9.2
111.08078	9.2
117.07036	11.4
119.08606	8.1
121.10146	26.0
123.11718	4.0
129.07094	2.6
131.08572	15.7
133.10130	12.3
135.11694	11.4
137.06596	3.2
143.08517	3.4
145.10139	6.8
147.11708	5.9
149.13268	50.5
150.13579	2.4
157.10141	5.8
159.11676	26.5
169.10123	3.2
171.11731	5.5
173.13292	4.1
177.12764	7.2
183.11658	2.7
185.13304	7.2
190.62158	2.3
195.11819	3.5
195.13811	10.5
197.89111	2.0
199.14832	4.5
209.13094	2.2
211.14873	7.2
213.16315	5.3
216.52431	2.2
220.19255	2.2
241.08614	7.1
241.19687	2.2
251.17973	9.1
269.08099	10.7
269.17157	40.3
269.22562	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	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65490	1.4
53.03949	3.2
55.01869	9.2
55.05295	1.9
55.05517	17.7
57.03443	32.7
57.07076	19.4
65.03944	1.8
67.05511	70.5
67.63308	1.6
68.99796	32.2
69.07075	25.6
69.25851	2.9
69.26256	13.0
71.05000	5.8
71.08627	2.2
79.05501	45.8
81.03417	2.6
81.07063	87.4
83.04993	10.7
83.08624	18.1
85.06542	5.8
91.05482	17.8
93.07051	66.9
95.04980	6.7
95.08616	27.0
97.06548	15.3
97.10192	2.3
99.08076	3.2
105.07045	9.4
107.08603	35.9
109.06522	3.3
109.10160	5.4
111.00054	3.6
111.00811	62.1
111.08075	8.7
117.07031	9.7
119.08593	6.6
121.10153	22.5
121.52274	1.8
123.11691	2.1
129.01913	2.5
131.08578	9.6
133.10091	10.9
135.11707	10.3
139.00276	100.0
139.11258	2.8
143.08557	2.7
145.10162	2.2
147.11676	2.9
149.13266	50.4
153.06956	2.2
157.01341	80.1
157.10153	2.9
159.11707	20.8
168.05757	3.8
177.12698	9.8
181.06451	2.6
185.13278	2.2
195.12036	2.2
195.13852	11.5
198.06805	6.1
209.13316	1.7
210.06709	1.7
211.07573	2.6
226.06281	4.8
241.08572	18.0
269.08084	27.0
269.17200	31.6
269.22702	6.8
275.44928	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.81843	1.8
53.03936	3.7
55.01859	3.2
55.05511	21.5
57.03441	36.5
57.07083	12.0
62.08263	2.1
65.03941	2.0
67.05507	79.1
69.06738	2.2
69.07072	33.4
70.16430	7.1
71.04984	6.7
71.08619	7.0
79.05494	44.6
81.07059	100.0
83.05000	10.3
83.08615	19.7
85.06541	3.4
86.81306	1.8
91.05487	22.3
93.07050	81.4
95.04967	4.9
95.08616	27.1
97.06525	16.2
99.08089	5.5
105.07020	8.2
107.08601	39.8
109.06516	4.5
109.10162	5.2
111.08089	9.0
111.11726	2.1
117.07013	6.0
119.08555	2.7
121.10152	21.1
123.11678	2.8
131.08609	8.9
133.10153	9.8
135.08089	3.4
135.11690	8.5
139.11185	3.0
145.10175	1.7
147.94534	2.2
149.13264	56.5
158.15388	7.1
159.11725	18.4
163.42686	1.8
164.64801	1.8
177.12788	14.7
195.13791	13.8
198.06808	1.9
220.70128	2.0
241.08635	4.1
269.08044	8.8
269.14926	2.7
269.17514	33.5
269.22208	2.4
270.27875	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	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58174	1.4
53.03955	10.0
55.01879	11.3
55.05516	20.9
57.03444	41.7
57.07075	4.8
65.01604	1.8
65.03946	3.4
67.05512	82.3
69.03441	15.2
69.07079	30.1
71.04993	5.9
79.05502	51.5
79.05972	2.7
81.03426	24.0
81.07066	100.0
83.05004	10.8
83.08625	19.9
85.06550	5.1
91.05489	31.6
93.07052	77.5
93.07644	3.8
95.04981	5.7
95.08617	21.8
97.02921	3.9
97.06528	15.9
97.10146	2.6
98.21505	6.7
99.04450	3.9
99.08109	7.7
100.14555	1.5
103.05499	4.2
105.04533	1.6
105.07030	11.7
105.27958	1.6
107.04965	2.7
107.08610	34.6
109.02891	29.5
109.06528	3.2
109.10181	5.3
111.08102	9.6
115.05442	9.5
117.07053	10.4
119.04967	5.8
119.08617	4.7
119.50156	1.5
119.57117	1.5
121.06512	7.7
121.10157	26.8
123.11699	3.8
125.71088	1.9
128.06245	16.9
129.07034	13.3
129.16158	1.5
131.04910	8.0
131.08569	13.5
133.02846	1.8
133.06502	2.0
133.10165	7.9
135.04422	26.8
135.08093	2.9
135.11716	9.5
137.05907	3.2
139.11137	1.9
141.07005	7.1
142.07814	2.5
143.08568	14.4
144.05711	10.4
145.06474	4.4
145.10170	1.9
147.04430	21.9
149.05988	14.5
149.13271	54.4
151.03879	3.3
152.06194	9.3
153.07005	37.1
154.36949	1.7
155.06030	2.8
155.08601	2.7
157.06491	7.1
157.10120	2.7
159.04486	2.5
159.08072	2.4
159.11720	26.0
160.05244	2.8
161.06038	8.6
165.05675	3.0
165.07030	5.4
167.08545	8.2
169.06508	3.6
171.04417	5.6
171.08080	27.4
172.05190	12.0
173.06012	10.5
177.12744	11.8
179.08537	2.0
181.06502	33.8
183.08058	4.3
185.06029	6.3
187.03915	5.7
187.07509	3.0
194.07280	1.7
195.08086	10.4
195.13765	12.7
197.05949	3.3
198.06761	1.9
199.07553	48.6
201.05402	1.7
203.07045	3.8
209.05968	5.5
211.07593	2.5
215.07010	4.8
217.08597	12.9
223.07576	13.2
224.08351	8.3
225.09030	3.7
227.07054	5.3
229.52844	2.0
233.08109	1.9
239.10774	2.3
241.08653	3.9
251.07080	4.9
269.07947	22.6
269.11713	9.6
269.17477	38.7
269.22656	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	3.8
55.01870	4.7
55.05512	22.8
57.03439	36.2
57.07079	4.6
64.31934	0.8
65.03933	3.8
65.08117	0.8
67.05505	78.6
68.27983	0.9
69.03426	1.4
69.07069	31.9
69.22206	3.7
69.22633	5.4
71.05004	5.7
71.08614	0.9
73.02879	1.5
77.03942	1.3
79.05493	51.3
81.03416	2.8
81.07057	100.0
83.04987	10.5
83.08621	19.3
85.06542	4.8
85.47668	0.9
91.05480	26.2
93.07047	70.8
95.04991	6.6
95.08607	27.9
97.06528	17.0
97.10152	2.7
99.08065	3.1
99.18913	0.9
105.04539	0.9
105.07029	11.7
107.07874	2.0
107.08593	39.9
109.06504	4.1
109.10139	5.8
111.08069	10.0
111.11736	1.9
113.06023	1.2
113.09604	1.3
117.07018	9.4
119.08585	3.5
121.06507	3.9
121.09335	1.7
121.10153	23.7
123.11688	3.4
123.17377	1.1
129.07010	1.5
131.08557	11.8
133.10135	11.9
135.08040	1.5
135.11700	11.6
139.11157	3.1
143.08563	1.8
145.10089	2.6
145.43356	0.9
147.04381	1.2
147.11696	4.0
149.13260	50.6
153.06985	1.9
157.10107	3.8
159.11696	26.4
161.13235	1.9
167.14287	1.8
169.10190	1.2
171.11658	2.3
173.13303	1.6
177.12749	11.0
181.06540	1.6
185.13278	1.7
187.14743	1.2
195.11902	1.8
195.13783	14.6
198.06818	1.2
199.14854	2.7
201.16600	1.2
211.14810	0.9
213.16423	2.8
241.08536	4.7
257.22391	0.9
269.08081	8.8
269.11096	2.1
269.17465	39.2
269.22458	14.0
281.09796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.65674	0.9
53.03946	3.4
55.01861	4.3
55.05267	1.5
55.05514	20.2
57.03156	1.5
57.03441	39.6
57.07061	4.1
65.03928	3.0
67.05508	80.3
69.03423	2.5
69.07075	36.6
70.79030	1.1
70.79372	2.1
71.05001	5.7
73.02925	1.1
77.03892	1.1
79.05500	54.2
81.03410	3.5
81.07063	100.0
82.02499	1.0
82.17467	0.8
83.04992	11.5
83.08624	22.9
85.06554	6.5
86.50800	1.0
91.05488	29.0
93.07050	80.2
95.04971	6.5
95.08611	29.4
97.06538	17.6
97.10197	2.7
99.04488	1.3
99.08083	4.9
105.04529	1.7
105.07048	9.8
107.04976	1.3
107.08601	39.0
109.06539	2.5
109.10149	5.3
109.30672	0.9
111.08091	9.7
111.11713	1.2
113.06013	2.2
114.79111	1.2
117.07021	11.2
119.08590	3.4
121.06509	1.8
121.10150	28.6
123.11675	2.8
125.09606	1.0
127.07600	1.1
131.08571	11.6
133.10143	9.7
135.04434	5.0
135.08076	1.4
135.11708	10.6
139.11177	2.3
141.07024	0.9
143.08569	1.7
145.06482	1.0
145.10115	1.2
147.04411	3.0
147.11667	3.4
149.05981	4.0
149.09706	1.4
149.13272	61.3
152.63274	1.0
153.06917	1.2
157.10168	1.1
159.11699	23.8
161.13245	1.8
167.14345	2.2
171.11757	1.1
172.04425	1.0
173.05998	1.8
173.13304	1.1
175.14822	0.9
177.12787	9.7
195.13821	13.0
210.69101	1.0
213.14787	1.6
213.16539	1.3
215.43863	0.9
227.17824	1.0
241.08533	2.2
242.45239	0.9
269.07962	2.3
269.17502	40.1
269.22440	9.2
277.91663	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03944	4.1
55.01865	5.2
55.05273	1.8
55.05517	21.4
56.17212	1.2
57.03443	37.1
57.07064	5.0
57.83373	1.3
65.03947	3.2
65.59766	1.3
67.05509	80.4
68.24401	1.4
69.03435	1.5
69.06734	2.1
69.07073	31.1
69.18797	8.9
69.19224	4.4
69.27787	1.3
71.04996	6.4
71.08607	1.5
77.03944	1.5
79.05499	46.9
81.03416	5.4
81.07064	100.0
83.04985	11.0
83.08626	21.7
85.06538	4.8
91.05489	25.0
93.07050	71.4
95.04957	4.5
95.08062	2.1
95.08615	28.2
97.06539	16.7
97.10146	2.7
99.08092	3.7
105.07029	11.6
107.04948	1.5
107.07884	2.0
107.08603	38.2
109.02880	5.3
109.06533	3.9
109.10142	5.4
111.08083	9.3
111.11733	2.5
117.07015	9.0
119.08568	5.4
121.06491	3.2
121.10147	26.7
123.11684	4.4
128.06192	2.7
129.07007	3.0
131.08592	12.1
133.10179	9.3
135.04410	2.0
135.11710	10.0
139.11159	2.3
141.06947	1.7
143.08542	3.9
145.10161	4.3
147.04462	1.7
147.11688	2.3
149.13269	51.2
153.06967	5.7
157.10118	4.1
159.11705	19.8
161.13234	2.7
171.08043	3.8
171.11574	2.1
172.05061	1.2
173.05952	2.3
173.13263	3.1
177.12759	9.4
181.06473	5.9
195.08029	1.8
195.13846	12.2
198.06592	1.6
199.07510	7.6
199.14850	2.6
211.07748	1.3
213.16423	4.0
217.08578	3.2
223.07535	2.7
226.06143	1.9
237.05525	1.4
241.08699	4.6
269.08069	13.8
269.11215	2.5
269.17511	41.2
269.22446	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	270.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08685	0.4
55.05521	0.6
60.05646	3.5
61.34887	0.5
68.05022	0.6
69.07069	1.9
70.06596	100.0
71.04979	1.6
71.06936	0.7
72.08162	0.7
84.08143	1.3
85.07691	0.5
86.09708	5.7
95.06066	0.5
96.08132	0.6
97.07665	2.1
98.06059	10.1
99.09194	0.6
109.02886	1.5
110.07144	0.6
112.08735	29.6
113.07140	3.3
114.10320	0.9
115.08694	7.6
121.06380	0.4
124.07591	1.1
129.11353	1.4
136.07704	0.5
138.09119	0.5
138.12788	15.0
140.08183	5.4
145.82123	0.5
156.12447	1.6
157.10858	43.9
165.13910	1.1
166.12297	3.2
167.15376	0.8
182.16560	1.3
183.14941	17.4
208.14439	0.6
211.14481	3.9
225.17113	11.1
242.19769	56.1
253.16571	1.6
270.09344	0.5
270.19266	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	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03936	0.8
55.01865	0.3
55.05495	0.2
67.01865	0.3
67.05499	0.3
68.99780	1.9
69.03426	0.5
69.80479	1.1
77.03952	0.3
79.05485	0.4
81.03423	0.3
81.07056	0.3
85.02894	0.3
89.03919	0.3
91.05482	2.5
91.41329	0.2
93.07053	0.3
95.04974	0.8
95.08613	0.4
95.63940	0.2
103.05466	0.4
105.03391	6.5
105.04460	0.3
105.07012	0.5
107.08549	0.4
109.02888	1.0
115.05460	0.6
119.04901	0.4
119.08585	0.3
121.06531	0.4
129.06995	0.9
131.04916	1.2
131.08569	0.2
137.02367	0.9
137.05997	0.3
141.07005	2.4
144.43474	0.2
145.06490	0.9
152.06218	0.7
153.01840	9.3
153.06976	1.6
154.07794	0.3
155.04863	0.5
155.08572	1.0
157.06500	0.5
164.48177	0.2
165.01855	2.8
165.07016	3.6
168.05721	0.8
169.06490	1.4
169.10162	0.3
173.05971	0.3
181.06520	1.2
182.07234	0.6
183.02863	0.4
183.08046	2.1
185.06038	0.3
187.03937	0.2
187.07571	0.4
193.06453	0.6
196.05191	0.7
197.05989	3.0
199.07504	0.3
200.08272	0.3
207.04379	0.3
210.06761	0.4
211.07535	2.5
212.08313	0.7
213.05502	1.1
215.07039	1.8
221.05989	0.8
225.05521	0.7
225.09157	0.6
227.06830	0.2
228.04149	0.5
228.07799	0.4
239.06995	0.7
240.07863	0.4
242.05753	1.2
242.09399	0.2
243.06529	0.6
243.10114	0.6
243.59773	0.2
247.06114	0.3
252.04196	0.2
253.05098	0.3
253.08665	0.7
255.63095	0.2
256.07379	0.4
271.06024	100.0
271.09433	6.0
272.06308	1.5
272.10461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59384	1.1
53.03932	5.1
53.45275	1.3
53.45515	1.2
55.01870	6.7
55.05501	3.3
59.32599	1.2
67.05502	2.1
69.03429	2.3
69.07058	3.4
71.51569	2.3
79.05484	1.6
81.03425	13.7
81.07056	3.7
85.09642	1.1
91.05484	11.3
93.07032	2.5
94.77881	1.3
95.04981	1.6
95.08579	4.5
97.02908	7.4
98.81357	1.3
105.07009	2.5
107.04958	3.7
107.08580	2.1
109.02892	36.2
115.05461	2.1
117.07009	1.5
119.04929	5.3
119.08588	3.0
121.06543	2.9
121.10140	2.8
125.94520	1.3
127.03954	2.6
129.07010	3.3
131.08517	2.1
135.11726	1.5
137.05954	4.1
139.04004	1.4
141.06984	4.9
145.06493	2.3
145.37578	1.4
147.04402	1.7
149.05981	2.3
150.06680	1.4
152.06224	5.9
153.07004	19.2
154.07787	3.0
155.08598	9.1
157.06444	1.4
157.10158	2.0
159.07985	1.7
159.11609	2.0
161.13269	2.1
165.07013	55.5
166.07820	2.6
167.08528	3.3
168.05757	7.6
169.05031	1.8
169.06467	3.8
181.06479	15.8
182.07231	7.0
183.08061	26.1
184.08821	1.3
185.05975	4.9
187.07645	1.6
193.06413	10.4
194.07268	3.5
195.08009	2.0
196.05188	6.1
197.06012	8.0
197.09657	2.7
199.07515	2.4
200.08337	5.2
202.29399	1.8
207.04465	3.7
209.05931	1.9
210.06764	4.4
211.07541	30.0
212.08368	13.0
213.05481	7.6
213.16356	1.8
215.10791	2.5
221.05974	9.0
225.09122	14.2
227.07159	1.6
228.07878	9.9
239.07063	9.7
240.07823	3.1
241.04793	1.7
242.09425	3.7
243.10210	19.8
253.08618	7.5
256.07291	4.1
269.60168	1.5
271.09671	100.0
271.16931	3.3
271.20544	1.4
271.24179	7.3
272.10443	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	271.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64611	1.2
52.98429	1.2
53.03939	5.7
55.01867	5.6
55.05495	2.3
62.17346	1.1
67.05500	2.3
69.03408	2.2
69.07070	3.9
79.05502	1.9
81.03422	10.1
81.07063	3.3
89.03915	2.0
90.62868	1.3
91.05496	8.8
93.07032	1.9
95.08600	2.4
97.02899	6.3
98.21561	2.8
99.04461	1.5
105.07027	3.8
107.04959	3.1
107.08582	1.8
109.02886	36.9
109.10201	3.1
115.05458	2.8
117.06998	2.5
119.04942	5.7
119.08613	1.6
120.26881	1.2
121.06480	3.5
122.21268	1.6
123.11726	1.9
127.03896	3.0
129.07040	2.0
133.10152	2.3
137.05983	5.0
141.07002	5.7
145.10127	2.4
147.04422	1.6
147.11652	2.0
149.05972	2.7
152.06200	5.9
153.07004	22.0
154.07803	2.4
155.08617	9.3
157.06491	4.0
159.08049	1.7
159.11731	2.5
161.13277	2.2
165.07010	52.7
167.08530	2.4
168.05730	6.7
169.05054	2.0
169.06468	4.6
170.07253	1.7
175.14835	1.3
181.06509	13.2
182.07310	7.4
183.08069	25.7
185.05939	4.7
193.06326	9.7
194.07283	4.5
196.05322	6.4
197.05974	8.3
197.09578	2.1
198.06863	2.2
199.07317	1.9
200.08391	4.1
201.16467	1.7
207.04420	4.3
209.06003	3.2
210.06741	6.2
211.07550	28.3
212.08284	12.1
213.05493	6.4
215.10724	3.7
221.06041	8.1
225.09070	9.6
227.07150	1.8
228.07860	8.5
230.04036	1.8
239.06978	7.4
240.07715	2.3
242.09314	2.7
243.10165	17.7
253.08647	8.0
256.07358	4.1
271.09659	100.0
271.16879	3.3
271.20712	3.0
271.24176	5.5
272.10083	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0965
Annotation	6,7-Dihydroxy-2,4-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
64.10021	0.4
70.78933	1.0
70.79301	1.0
115.03954	0.5
117.67702	0.5
139.05453	0.6
140.06227	2.6
152.06203	0.8
153.06995	7.0
155.08612	1.0
165.06984	2.4
168.05702	23.3
169.06502	0.6
181.06471	1.9
182.07304	0.5
183.08035	17.2
185.05927	0.9
194.07297	0.5
195.04407	0.7
196.05170	5.1
197.04324	0.5
197.05974	2.3
210.06761	0.9
211.07542	80.8
212.08156	2.6
213.05478	2.6
221.05933	0.5
225.05418	0.5
227.07057	1.4
228.07828	2.8
229.08481	0.6
238.06198	0.5
239.07027	100.0
240.07576	3.7
241.04892	1.3
243.10239	1.5
256.07239	4.2
271.09637	40.8
272.09985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
55.01189	0.8
57.25762	0.7
59.61786	0.9
62.36636	0.7
69.43561	3.7
69.43977	2.5
74.47141	0.7
103.72504	0.8
109.00059	0.8
141.06984	1.4
152.06242	12.2
153.07060	1.8
154.07779	3.8
165.07021	29.8
166.07790	7.4
167.04976	1.1
167.08578	15.0
168.05757	2.3
169.06525	1.6
174.39484	0.7
177.06940	0.8
178.07845	1.8
179.08551	2.0
180.05769	1.7
181.06485	4.2
182.07292	14.3
183.07964	1.0
185.06026	0.9
190.20004	0.7
192.05748	1.8
193.06459	13.2
193.08015	1.0
194.07285	23.8
195.08057	5.7
197.05986	1.9
197.09639	4.7
198.61655	0.8
207.08163	0.8
209.06056	1.2
210.06784	18.0
210.08662	1.5
211.07494	1.4
212.08447	1.4
213.05486	3.4
222.06847	1.2
224.04675	1.7
225.05553	2.8
225.09119	84.8
227.06914	0.9
228.07860	1.1
238.06073	1.4
240.07892	3.5
241.04990	1.7
243.09991	1.3
253.08623	100.0
254.09039	1.6
256.07346	4.9
265.28467	0.8
271.09674	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	271.0968
Annotation	Imperatorin
Peak:m/z	Relative Intensity
55.18656	0.4
69.07076	16.9
69.43674	2.4
69.44087	1.2
72.75898	0.5
83.86963	0.5
89.05073	0.4
91.05466	1.2
103.05502	0.8
103.24133	0.5
112.69074	0.5
119.04967	0.5
129.03369	1.2
131.04947	7.3
142.72533	0.6
147.04419	30.5
156.88741	0.5
157.02861	2.4
159.04457	3.1
173.02271	0.6
175.03920	10.3
185.02336	2.8
185.05988	0.6
197.05997	1.5
203.03412	100.0
204.03705	1.5
211.07500	0.6
212.08299	1.7
213.05606	0.9
215.03374	1.6
225.09024	1.0
228.07774	1.9
233.59947	0.5
243.10207	3.6
271.09695	8.5
277.22742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0968
Annotation	Amoenumin
Peak:m/z	Relative Intensity
52.89297	0.4
53.03953	0.5
55.01868	1.0
55.05504	0.8
57.82017	0.4
67.05496	1.7
69.03429	0.8
69.07056	1.1
70.75817	0.8
71.05008	0.5
79.05481	1.0
81.03412	0.5
81.07082	1.9
91.05487	2.9
93.07023	1.1
95.04961	0.7
95.08607	2.1
97.06533	0.5
98.21355	0.6
99.04470	0.6
105.03396	1.4
105.07035	1.9
107.04948	0.8
107.08624	1.1
109.02882	1.1
109.10173	1.0
115.05476	0.6
117.07055	0.6
119.04934	1.9
119.08563	1.5
121.06463	0.8
123.04373	0.5
123.08054	0.5
123.11697	0.6
127.03912	0.5
128.06245	0.8
129.06964	0.9
131.04892	0.4
131.08601	0.9
133.10170	0.9
135.11653	0.6
137.06001	0.6
141.07024	2.2
143.08464	0.4
145.06525	0.4
147.11687	0.7
152.06174	2.1
153.01839	2.3
153.06987	5.4
154.07803	0.8
155.08565	2.2
157.06480	1.6
157.10184	0.7
159.11708	0.8
161.13268	0.7
163.71414	0.4
165.01848	0.5
165.07004	13.1
165.08327	0.8
166.07585	0.5
167.08591	1.1
168.05716	3.9
169.06522	2.9
169.10124	0.7
171.08022	0.5
173.13263	0.8
175.14789	0.4
179.08627	0.6
180.05688	0.7
181.06502	4.9
182.07285	3.2
183.08058	6.3
183.11674	0.5
185.05983	3.3
185.09642	0.6
185.13194	0.5
187.07491	1.1
193.06354	2.8
194.07260	1.9
195.08096	1.2
196.05197	5.3
197.05981	11.1
197.09698	0.7
197.13298	0.4
198.06717	1.3
199.07521	1.4
200.08395	2.2
201.09097	0.5
209.05917	0.9
210.06754	5.9
211.07544	16.4
211.14706	0.5
212.08310	9.4
213.05457	14.2
213.08714	2.1
213.12746	0.6
215.07068	1.3
215.10693	0.7
215.17966	0.7
221.06001	2.1
222.06775	1.4
223.03909	0.6
224.04689	3.1
225.05666	2.1
225.09131	6.0
227.07063	1.8
228.07794	9.4
237.05583	0.6
238.06247	3.1
239.07024	6.1
240.07816	9.9
241.04980	7.7
242.05753	0.6
242.09308	0.7
243.06496	0.8
243.10182	11.1
253.08580	4.8
256.07303	25.5
257.07959	1.7
270.08795	0.4
271.06104	22.9
271.09662	100.0
271.24118	2.0
272.07019	0.6
272.10107	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	271.0965
Annotation	Amoenumin
Peak:m/z	Relative Intensity
52.28687	0.5
55.01870	4.7
60.28387	0.6
61.03864	0.5
68.64999	0.6
69.03417	0.9
69.43614	4.1
139.05408	0.6
141.06938	0.9
152.06218	2.4
153.06987	1.4
154.07835	0.7
155.08566	0.8
157.06537	1.1
165.07007	7.5
166.07784	1.8
167.08565	2.7
168.05666	2.7
169.06512	1.4
171.08099	1.0
177.10094	0.6
181.06473	1.9
182.07283	3.7
183.08080	2.6
184.08783	0.9
185.06009	4.5
185.09604	1.0
187.07491	1.2
193.06505	2.1
194.07271	3.5
195.08038	1.7
196.05170	2.8
197.05998	11.4
197.09645	1.0
199.07484	0.8
200.08304	3.1
201.09135	1.1
210.06790	4.1
211.07570	3.8
212.08339	21.4
213.05472	10.2
213.08815	0.8
215.10677	4.1
224.04692	0.7
225.09119	13.7
226.06030	0.5
227.06972	1.9
228.07817	19.2
237.05397	1.0
239.07051	0.9
240.07753	1.2
243.10179	45.3
244.10457	1.1
253.08514	4.5
256.07327	0.9
265.54218	0.6
270.08871	1.4
271.09659	100.0
272.09982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.42375	0.9
53.03934	1.7
55.01875	4.8
57.07038	0.9
65.03910	1.8
67.05508	1.2
69.03431	3.3
69.07072	1.2
70.06573	1.0
71.05001	1.3
71.51063	1.5
79.05489	2.0
81.03413	2.7
81.07047	2.9
83.04975	1.2
85.02901	2.2
89.03886	1.1
91.05476	10.9
93.07021	1.2
95.04957	2.6
95.08601	1.9
97.02907	2.2
99.04456	3.4
103.05454	1.2
105.07024	2.7
107.04948	3.0
107.08553	1.2
109.02863	3.8
109.10161	1.7
115.05448	1.6
118.04081	1.2
119.04942	7.8
119.08569	1.2
121.06494	3.3
123.04416	1.3
127.03892	3.9
129.06973	2.5
131.08484	1.0
133.10138	1.8
134.03618	1.1
135.04347	1.3
137.05965	5.0
139.05443	1.2
140.06201	2.8
141.07010	7.3
143.08598	1.0
145.06480	1.9
147.11685	1.1
149.05981	2.2
150.06747	1.1
152.06175	7.9
153.01888	1.2
153.07002	30.5
154.07747	3.4
155.08548	13.6
157.06490	4.2
165.07016	50.5
168.05708	28.2
169.06535	5.2
170.07211	2.1
178.07942	1.0
179.08539	1.3
181.06488	15.4
182.07263	7.7
183.08060	46.9
185.06004	4.6
192.05829	1.1
193.06351	10.9
193.08044	1.3
194.07213	1.3
196.05196	10.3
197.05997	5.8
197.09639	1.2
198.06825	1.9
198.33284	0.9
199.07501	1.6
200.08337	4.1
206.02408	1.0
207.04385	3.0
210.06763	3.9
211.07553	100.0
212.08258	6.0
213.05499	2.8
215.06981	1.5
221.06001	10.8
223.14792	1.3
225.09079	3.6
227.07037	3.6
228.07860	6.0
239.07047	79.8
240.07677	2.1
242.09479	4.6
243.10170	6.2
253.08794	1.4
256.07275	5.5
270.08749	1.1
271.06216	5.7
271.09659	96.5
271.16992	2.8
272.10101	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	3-Hydroxy-5-methoxystilbene-2-carboxylic acid
Peak:m/z	Relative Intensity
55.01881	1.1
57.25795	0.6
60.76954	0.5
63.56871	0.6
66.09318	0.6
67.05518	0.9
69.07090	0.8
70.95207	0.9
70.95570	0.8
79.05525	0.6
81.03480	0.8
81.07077	2.2
87.11954	0.6
91.05525	1.7
93.07082	0.9
95.08637	1.2
96.36987	0.6
99.04494	0.7
105.07061	1.1
107.22466	0.6
109.02920	0.8
115.05419	0.8
119.04993	1.0
128.06258	0.8
131.08612	0.7
134.53754	0.8
139.05392	0.7
141.07016	2.2
143.08641	0.6
150.01926	0.7
152.06223	11.7
152.07419	1.0
153.06999	5.1
154.07808	2.8
155.08614	1.7
159.11676	0.7
164.06311	0.8
165.07011	35.6
166.07796	8.0
167.04892	1.0
167.08586	14.3
167.09895	1.2
168.05774	3.4
169.06508	2.0
169.10159	0.8
177.06966	0.9
178.07712	1.5
179.08568	3.4
180.05685	2.2
181.06506	5.6
182.07274	16.3
183.08083	4.2
185.06039	2.4
192.05754	1.8
193.06473	14.2
193.08002	1.0
194.07295	24.4
195.04440	1.2
195.08069	7.2
196.05237	2.0
197.05957	3.7
197.09621	5.6
200.08318	1.1
207.04402	1.1
207.08047	1.0
207.59685	0.6
209.06100	1.2
210.06781	16.1
210.08662	1.3
211.07515	5.8
212.08290	2.7
213.05499	3.7
221.05931	1.5
222.06827	2.0
224.04675	1.3
224.08334	1.0
225.09117	79.2
226.09421	1.4
227.06923	1.0
228.07753	2.4
238.06125	1.3
239.07033	2.2
240.07867	4.3
241.05075	1.0
243.10118	5.9
253.08620	100.0
254.08972	1.0
256.07321	5.2
271.09659	96.7
271.24194	1.0
272.09915	1.6
291.59473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Amoenumin
Peak:m/z	Relative Intensity
55.01880	3.5
66.75452	0.6
69.66881	2.6
69.67294	1.4
73.61905	0.6
81.03411	0.7
81.07030	1.1
91.05502	0.9
93.07037	0.7
95.08601	1.1
96.71556	0.6
98.21103	2.0
106.03057	0.6
109.02866	0.8
121.10076	0.8
131.08588	0.7
141.06981	1.6
145.10086	0.8
145.31534	0.7
152.06238	1.9
153.06973	2.9
154.07808	1.5
155.08517	2.0
157.06500	1.6
159.08073	0.9
161.05980	3.2
165.07036	7.7
167.08600	1.8
168.05730	4.0
169.06487	2.7
181.06496	3.7
182.07260	2.5
183.08098	5.6
184.08791	0.9
185.06007	6.5
187.07635	1.4
193.06454	1.8
194.07286	2.6
195.08015	0.8
196.05228	3.7
197.06007	11.5
197.09712	1.4
198.06686	0.8
199.07532	1.3
200.08356	3.1
205.99306	0.7
208.23973	0.6
210.06769	2.7
211.07542	10.4
212.08345	26.5
213.05475	12.5
213.08720	0.9
215.10703	2.9
225.09106	7.5
227.06992	2.3
227.11720	1.2
228.07817	23.6
229.08580	1.2
239.07042	1.8
240.07851	1.8
242.09297	0.8
243.10184	48.9
244.10645	0.9
253.08615	3.0
255.11276	2.9
256.07327	2.3
256.12094	2.8
271.09665	100.0
271.14450	4.6
271.24271	1.5
272.10135	2.2
273.80850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Amoenumin
Peak:m/z	Relative Intensity
55.01865	3.4
86.28645	0.7
103.28173	0.7
104.07397	0.7
113.24155	0.7
128.30836	0.7
141.07021	1.1
149.38464	0.8
152.06253	2.6
153.07027	1.7
155.08499	1.1
161.06001	2.9
165.07004	5.3
167.08601	1.6
168.05737	3.9
169.06465	2.3
170.07321	0.7
172.08688	0.7
181.06485	3.2
182.07304	4.3
183.08058	3.0
184.08850	1.8
185.05998	8.5
187.07530	1.5
194.07291	1.0
195.07979	0.9
195.23027	0.8
196.05283	3.7
197.05994	15.8
197.09747	1.0
198.06602	0.8
199.07480	1.0
200.08351	5.1
201.09041	1.3
203.07057	1.5
208.43918	0.7
210.06828	1.7
211.07550	6.6
212.08328	36.7
213.05490	15.1
213.08743	1.1
215.10674	5.1
225.09050	6.1
227.07237	1.9
227.11876	2.0
228.07838	26.5
228.12572	1.8
239.06978	0.8
243.10191	54.2
244.10518	1.0
253.08632	3.5
255.11322	4.3
256.07434	1.3
256.12094	4.0
271.09668	100.0
271.13937	6.7
272.10129	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	271.0965
Annotation	Amoenumin
Peak:m/z	Relative Intensity
55.01874	4.9
68.59953	0.7
69.03407	0.8
71.05658	1.4
91.05478	0.9
107.04947	0.6
110.81875	0.6
128.06206	1.1
139.17863	0.5
141.06963	1.4
152.06259	3.3
153.06960	1.9
154.07756	0.9
155.08577	1.1
157.06454	1.3
165.07010	10.6
165.09750	0.6
166.07748	2.4
167.08586	3.8
168.05692	2.8
169.06491	2.1
179.08577	1.0
180.05687	1.0
181.06415	3.3
182.07320	6.0
183.08076	4.1
184.08771	0.9
185.05992	2.7
187.07607	1.5
193.06480	4.3
194.07288	7.2
195.08096	1.3
196.05237	3.0
197.05974	9.1
197.09589	1.4
199.07602	1.0
200.08353	3.0
210.06741	5.6
211.07549	4.8
212.08321	20.0
213.05495	9.9
215.10664	3.1
224.04755	1.2
224.08374	0.6
225.09106	22.6
226.09578	0.7
227.07123	2.4
228.07840	13.3
239.06978	1.5
240.07816	1.7
242.09468	1.1
243.10196	35.3
250.87717	0.7
253.08641	15.5
256.07294	2.1
270.08893	1.3
271.09656	100.0
272.10101	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Amoenumin
Peak:m/z	Relative Intensity
50.59013	0.5
55.01878	4.6
56.34188	0.5
57.26967	0.6
57.43917	0.5
67.05495	0.6
69.03436	1.1
69.43798	4.3
81.07047	0.6
91.05494	1.0
93.07059	0.7
95.08617	1.1
95.58530	0.5
96.38080	0.5
105.07047	1.0
129.06926	0.8
133.10133	0.6
141.06947	0.8
145.10223	0.7
152.06177	3.1
153.07016	1.5
154.07803	1.2
155.08543	0.9
157.06497	1.1
159.11736	0.6
165.07010	6.4
166.07744	1.5
167.08594	2.8
168.05707	3.8
169.06479	2.3
170.07370	0.9
171.08078	0.8
178.07646	0.6
179.08528	0.7
180.05724	0.8
181.06448	1.8
182.07285	4.5
183.08110	2.8
184.08829	1.6
185.05939	4.2
187.07596	1.3
188.08228	0.8
193.06496	1.9
194.07269	4.4
195.08032	1.3
196.05139	2.6
197.04208	0.7
197.05992	12.2
197.09608	1.4
198.06732	0.6
199.07579	1.7
200.08304	3.6
201.09135	1.1
210.06805	4.0
211.07571	4.0
212.08337	25.5
213.05508	9.4
213.08679	0.8
215.07063	1.2
215.10703	4.6
224.04663	0.7
225.05615	0.7
225.09096	12.0
227.07050	2.0
228.07814	18.1
229.08424	0.9
237.05486	1.3
240.07832	1.2
241.05107	0.5
242.09494	1.0
243.10178	42.6
253.08650	4.2
256.07306	1.7
270.08688	1.1
271.09659	100.0
272.10043	2.0
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
53.03902	1.7
55.01903	1.6
55.05507	6.7
57.07079	73.1
67.05508	14.2
69.07067	18.0
69.18429	10.5
69.18851	6.6
71.08241	3.5
71.08636	72.5
74.56430	1.4
79.05495	7.1
81.07063	28.8
83.08614	5.3
91.05487	6.3
93.07057	17.9
95.08616	32.2
97.10183	3.3
105.07043	23.0
107.08596	20.6
109.10154	21.9
117.07018	4.3
119.08586	26.2
121.10155	19.2
123.11708	9.3
129.77834	1.8
131.08592	6.6
133.10129	14.4
135.11650	8.9
137.13242	1.5
145.10138	17.6
147.11691	11.0
149.13274	9.5
155.08621	2.5
156.12497	1.5
156.42822	1.7
159.11708	17.2
159.14883	10.0
161.13283	16.4
163.14825	12.0
165.07008	3.1
173.13321	10.3
175.14890	12.8
177.16423	4.6
185.05994	3.5
187.14886	8.0
189.16429	7.4
194.07384	2.2
197.06001	6.9
197.09561	1.7
201.16454	13.4
203.17952	1.6
211.07591	4.5
212.08380	14.4
213.05522	7.0
215.10741	3.4
215.17949	19.5
225.09233	5.5
227.07065	2.1
228.07874	11.5
229.19644	3.0
243.10193	24.4
243.21051	2.3
253.08633	2.0
271.06827	2.0
271.09653	52.0
271.24246	100.0
271.27866	11.7
272.10178	2.4
291.70105	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1131
Annotation	Deidaclin
Peak:m/z	Relative Intensity
56.05029	2.6
56.92418	1.3
56.96547	5.5
57.03424	4.0
58.06585	1.4
61.02921	6.1
65.03938	3.5
69.03427	7.4
70.06254	1.9
70.06599	22.1
70.12634	7.1
70.85430	1.5
70.95860	1.5
72.08153	2.7
72.93778	5.4
73.02894	3.5
74.06084	2.2
79.05482	2.2
81.03420	3.6
84.04498	3.0
84.08133	5.6
85.02904	23.7
86.09710	11.6
90.94798	3.1
91.03991	1.5
91.05489	2.5
92.04993	7.1
93.03400	1.3
95.04960	3.5
97.02898	8.8
98.97586	11.8
99.04454	1.8
103.03973	2.3
106.06540	15.3
107.04950	5.8
109.02850	2.8
109.05266	7.0
110.06046	100.0
111.04439	2.3
112.07599	1.4
112.08666	1.7
112.99106	1.7
113.96374	5.2
116.07066	5.1
116.98636	4.8
119.04967	7.4
120.04454	4.2
121.51385	1.5
122.06019	11.4
123.04420	3.5
125.07118	1.4
127.03921	3.1
127.08640	1.9
128.96391	1.6
128.98619	1.5
129.10252	2.6
130.04979	2.1
131.04927	2.4
131.97377	2.6
132.95825	10.1
134.06017	28.8
134.99739	1.6
136.07567	1.8
137.05952	2.1
139.03938	4.7
145.04929	3.5
146.05998	4.8
147.04427	9.6
149.02335	1.8
150.96854	3.5
151.03876	2.9
152.07062	14.0
155.97418	2.1
158.99681	4.1
164.06972	1.9
170.99686	1.8
173.12901	2.0
175.11992	1.9
176.07088	5.2
177.00766	2.0
201.00816	2.0
201.12279	2.2
215.07059	2.2
215.13925	3.8
218.08173	2.5
226.15486	1.9
236.09227	3.5
243.06300	1.4
245.30083	1.6
248.99232	2.3
254.10255	6.9
255.10677	1.9
265.17896	1.8
272.10953	4.7
272.16782	7.0
272.19690	1.4
273.07764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
51.61440	0.5
53.03940	0.9
55.01865	1.2
55.05500	1.7
57.03442	0.6
61.02919	0.5
63.25508	0.5
65.03944	1.0
67.01867	7.0
67.05505	1.4
68.99783	4.8
69.03428	3.9
70.06577	0.4
70.39111	1.6
71.04978	0.7
71.45306	0.4
79.05489	0.9
81.03418	2.7
81.07054	1.2
83.01338	1.1
83.04979	8.0
85.02908	2.7
90.76745	0.5
91.05479	8.3
93.07043	1.1
95.04956	6.4
95.08601	1.0
97.02905	2.4
99.04483	1.3
102.64117	0.5
103.05528	0.6
107.04965	6.5
107.08591	0.6
107.18882	0.4
109.02872	1.5
109.06570	0.7
109.10147	0.9
110.06049	0.4
111.00811	0.8
111.04442	2.5
115.88105	0.5
117.07036	0.6
119.04943	22.4
121.02871	1.3
121.06509	5.1
123.04424	9.6
125.02299	1.2
127.03944	2.8
129.01843	0.8
131.04961	0.7
131.08626	0.5
133.06519	1.5
133.10141	0.8
135.04454	0.8
137.06006	1.8
139.03905	3.1
141.06966	0.6
145.06522	0.8
147.04407	31.3
149.02307	3.1
149.05975	5.5
151.03929	2.7
151.07550	2.8
152.06166	2.8
153.01828	100.0
153.06978	8.7
154.02171	1.0
155.04778	0.6
157.06461	0.9
157.10010	0.5
161.05974	0.9
163.07469	0.5
165.07028	1.0
167.08759	0.7
169.06523	1.0
170.07222	0.6
171.02884	14.3
179.03348	1.2
181.06479	11.6
181.07936	0.9
182.07245	0.6
185.05992	0.8
189.05479	0.7
191.17946	0.8
195.08102	1.8
197.05989	1.8
198.06746	1.4
199.07610	0.9
209.06047	2.5
212.08250	0.9
213.09116	7.3
215.07089	2.2
223.07480	1.1
227.07010	1.2
227.10654	1.2
231.06560	0.7
241.08612	7.5
242.09413	1.7
243.06541	1.9
245.08125	1.8
255.06529	1.3
255.10361	2.6
273.07574	57.8
273.11105	7.3
273.18539	0.9
274.07889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Protosappanin A
Peak:m/z	Relative Intensity
53.03946	2.0
55.01857	1.9
65.03937	3.0
67.05495	3.3
68.99797	5.0
69.63930	3.4
69.64339	1.6
70.06586	1.2
71.45977	0.8
72.08149	0.9
77.03895	0.8
77.67712	0.8
79.05493	1.0
81.03415	2.2
83.04974	2.7
84.08156	1.9
85.02896	0.9
86.00021	0.8
86.09718	1.1
88.02267	1.0
88.58326	0.7
91.05495	7.8
93.03430	1.7
95.04974	30.6
98.21538	0.9
101.08862	0.8
105.04517	1.3
105.07050	2.3
106.95700	0.8
107.04962	36.6
111.00776	1.1
111.04435	1.1
114.03760	2.9
115.05444	1.1
119.04947	100.0
121.02875	9.1
121.18165	0.8
123.04435	57.4
127.03938	1.1
129.07095	0.8
133.06496	11.1
139.03915	23.2
141.06981	3.3
145.06496	3.0
147.04402	17.3
149.02351	24.5
150.02911	0.8
151.03905	23.9
153.06998	2.1
157.06512	3.4
159.08081	1.1
161.05977	4.3
169.06516	3.6
170.06316	2.7
171.04375	1.8
171.08037	1.0
179.03438	2.0
181.06419	1.5
185.06012	2.4
187.07555	2.5
189.05515	2.5
196.29291	0.7
197.05995	3.5
199.07564	2.9
201.05525	3.0
203.07060	1.7
209.06033	0.9
210.06586	0.9
213.05583	1.3
215.07031	26.2
225.05588	1.0
227.07014	2.4
229.04939	1.1
231.06526	1.8
242.05742	1.3
243.06543	25.6
245.08092	11.8
255.06494	8.1
273.07465	11.4
273.12195	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	Protosappanin A
Peak:m/z	Relative Intensity
53.03937	3.4
53.18335	1.2
55.01863	3.0
60.49378	0.9
64.52779	1.0
65.03934	2.9
67.05503	5.5
68.99794	9.9
70.91356	2.2
70.91708	1.9
80.92017	1.0
81.03422	2.7
83.04967	2.9
91.05491	9.4
93.03394	4.2
95.04376	1.5
95.04974	22.6
105.07059	2.0
107.04961	47.6
111.00805	1.9
111.04424	2.4
115.05486	1.7
119.04948	100.0
121.02856	9.5
123.04433	58.0
127.03920	2.7
133.06503	19.1
139.03906	70.5
141.06964	3.6
145.06465	5.5
147.04417	24.2
149.02351	21.3
149.05928	1.1
151.03912	39.3
151.05148	1.9
152.06203	1.0
153.01869	1.3
153.06985	3.1
157.06483	4.7
161.05992	11.8
169.06442	3.1
171.04378	4.2
171.08087	1.4
175.07578	1.0
179.03450	1.7
181.06447	4.3
182.68866	1.1
185.05981	2.4
187.07518	3.2
189.05504	5.6
197.06009	2.7
199.07564	4.2
201.05432	2.0
203.06990	1.7
213.05447	2.1
215.07034	22.1
221.29514	1.1
227.07074	4.8
231.06505	3.1
241.08597	1.7
243.06505	21.6
245.08102	21.7
255.06532	11.3
273.07596	20.3
273.10999	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
56.05035	0.7
56.96308	1.0
56.96568	16.0
57.03433	2.5
60.04512	1.0
61.02928	2.4
65.19959	0.7
69.03432	7.2
70.04205	2.1
70.06590	5.4
71.04982	1.0
71.95261	1.9
72.08147	3.0
72.93793	1.0
73.02908	6.6
75.11877	0.6
81.03413	2.1
81.43428	0.7
83.04984	1.0
84.08150	3.1
84.96030	3.0
85.02906	13.2
86.03246	1.1
86.09701	1.6
87.04482	1.0
88.96887	0.7
91.69970	0.8
97.02876	6.3
98.97587	64.3
99.04419	1.0
101.00853	3.2
101.02396	0.9
107.04955	1.6
109.02894	1.1
110.97589	4.4
112.99157	0.9
113.00881	1.2
115.02458	0.8
116.98618	22.4
119.01908	2.1
119.04949	1.7
119.97164	0.7
123.04415	1.2
124.74479	0.7
124.99146	1.2
127.03913	4.5
128.98593	2.0
129.10255	1.1
130.08688	0.7
131.01888	2.1
131.04880	0.8
132.95856	1.6
133.06473	0.7
134.99664	5.4
137.05983	3.3
138.03476	1.0
139.03979	0.8
140.98593	0.8
141.14711	0.7
142.20035	0.7
143.00192	1.7
143.01909	8.5
145.01721	0.7
145.03528	0.8
145.04926	1.5
146.99663	0.7
147.05205	0.8
152.98547	0.6
153.03989	1.2
155.01904	5.0
157.01662	0.9
158.99692	2.0
161.02991	5.7
165.04083	0.8
167.01900	0.7
169.03334	0.8
170.99681	2.0
171.05089	1.9
172.94376	0.8
173.02931	4.8
174.04526	0.9
182.53693	1.0
183.05084	4.8
184.04855	0.8
185.02956	2.7
189.00745	1.6
191.03912	1.5
191.54002	0.9
192.05522	2.2
201.00793	1.2
201.06001	1.3
203.03986	5.1
218.98111	1.0
219.01810	1.8
221.05214	1.7
230.98137	2.5
231.01750	1.0
237.02913	0.9
245.05064	1.7
248.93729	2.5
248.99234	6.4
249.02844	0.9
263.06189	2.0
267.00330	1.2
272.93738	2.9
273.09473	100.0
274.09793	1.3
290.94711	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	273.1122
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
55.01867	0.6
57.90356	0.5
61.18541	0.6
67.05493	0.7
67.29961	0.5
70.63348	1.9
81.07048	0.9
91.05481	1.3
93.07073	0.6
107.08596	0.8
121.06476	1.0
123.04408	0.7
130.01614	0.5
141.07018	0.9
147.04413	0.5
149.05974	1.1
151.07486	0.5
152.06226	3.8
153.07004	3.4
161.05981	4.9
165.06978	3.9
167.08607	2.6
169.06517	2.7
170.07201	1.2
171.60672	0.6
177.06966	0.7
177.55496	0.6
180.05722	2.4
181.06476	7.8
182.07239	1.2
183.08073	1.8
184.08696	0.8
185.09576	1.3
193.06520	1.3
194.07335	0.9
195.08075	14.2
196.08833	8.4
197.05965	7.2
197.09636	1.4
198.06694	1.8
199.07491	1.6
208.05219	1.5
209.05956	2.3
209.09671	0.7
210.06808	0.9
211.07567	2.3
212.08302	13.0
213.09122	4.7
215.07056	2.3
222.06677	0.9
223.07472	5.9
223.09166	0.6
224.08336	6.0
225.05475	1.6
225.09081	2.4
226.06235	1.7
227.07118	11.7
227.10638	15.7
230.09256	0.8
237.09023	1.1
238.09871	2.0
239.07088	1.5
240.07722	9.1
241.08601	13.6
242.09387	29.5
243.06566	4.7
243.09488	0.9
245.11818	1.0
255.10178	43.9
256.10510	0.6
257.08179	2.1
258.08826	11.3
273.11197	100.0
274.11688	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1122
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
55.01864	1.1
55.05503	1.3
67.05494	1.8
69.03434	0.7
69.07066	1.5
69.52415	1.8
69.52842	2.2
79.05512	1.2
81.03397	0.8
81.07056	2.6
83.04986	1.2
85.02888	1.0
91.05477	2.2
93.07037	2.5
94.99629	0.5
95.04966	1.1
95.08598	3.0
105.07007	2.5
107.04971	1.0
107.08566	2.2
109.06520	0.8
109.10165	1.0
110.40326	0.6
117.07021	0.9
119.04924	1.5
119.08557	1.8
121.06506	1.7
121.10152	1.2
123.04416	1.1
123.11673	0.7
127.03935	0.6
128.06255	0.6
129.06981	1.3
131.08582	1.6
133.10112	1.7
135.08067	0.8
135.11743	0.8
141.06975	0.9
142.07742	1.3
143.08565	1.5
145.06514	0.7
145.10146	1.5
147.04416	1.1
147.11627	1.5
149.06018	1.7
151.07547	1.4
152.06232	3.9
152.20097	0.5
153.01810	0.9
153.07002	4.7
155.08633	0.9
157.10132	1.7
159.11705	0.8
161.05992	5.1
161.09665	0.6
161.13254	1.0
165.06998	5.0
166.07764	0.8
167.08589	1.8
169.06519	3.0
170.07291	1.5
171.08101	1.2
171.11844	0.8
180.05710	3.1
181.06497	9.3
182.07315	1.2
183.08043	2.3
184.08543	1.0
185.09653	1.0
193.06398	0.8
195.08080	13.9
196.08844	10.3
197.05966	7.8
197.09520	0.8
197.13335	0.6
198.06715	2.4
199.07491	0.7
199.11227	0.8
208.05103	1.2
209.06067	2.8
210.06651	1.4
211.07498	3.1
212.08295	14.3
213.09155	6.2
213.16426	0.7
214.09074	0.6
215.06992	3.1
223.07523	5.6
224.08327	6.7
225.05545	2.2
225.09024	2.8
226.06258	2.2
226.09723	0.7
227.07100	11.5
227.10652	15.6
230.09219	1.6
237.09077	1.0
238.09869	2.4
239.07054	2.2
240.07718	10.0
241.08601	13.0
242.09389	30.3
243.06555	4.1
245.11652	1.0
255.10176	42.6
257.08057	1.0
258.08868	13.9
273.11200	100.0
273.18185	4.0
273.25858	2.4
274.11591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1124
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
50.72625	0.4
55.01876	0.7
62.77985	0.4
64.84968	0.4
67.05498	0.6
70.66373	1.1
79.05475	0.5
81.07043	1.0
83.04990	0.5
91.05476	0.9
93.07081	0.5
95.04984	0.5
95.08569	0.5
105.07001	0.7
107.04976	0.7
119.04926	1.0
121.06502	1.1
123.04408	0.5
131.04897	0.9
139.63487	0.4
141.06985	0.7
147.04346	0.4
149.05943	1.0
151.07547	1.1
152.06212	4.0
153.07010	2.7
155.08548	0.7
161.05984	4.2
165.06973	3.6
166.07730	0.9
167.08615	2.8
169.06448	2.7
170.07228	1.1
171.08076	0.7
177.07021	0.5
180.05667	2.8
181.06471	7.3
182.07294	1.5
183.08125	1.1
184.08784	1.0
185.09637	1.3
187.07558	0.5
193.06471	1.1
195.08073	13.6
196.08853	9.7
197.05991	7.2
197.09630	0.9
198.06779	1.9
199.07513	1.2
199.11203	0.8
208.05240	1.3
209.05974	2.4
210.06738	1.3
211.07591	3.4
212.05096	0.5
212.08321	13.5
213.09113	5.1
215.07191	2.3
223.07515	6.2
224.08347	7.2
225.05501	2.0
225.09067	3.0
226.06248	1.4
227.07101	11.3
227.10655	17.6
229.08575	0.5
230.09407	1.0
237.09099	1.4
238.09891	2.6
239.07027	1.1
240.07803	9.2
241.08603	12.8
242.09398	30.9
243.06580	4.5
243.08844	0.5
243.09877	0.4
245.08119	0.6
245.11693	0.6
253.08583	0.8
255.10185	47.0
257.08084	1.3
258.08865	11.7
273.11227	100.0
274.11472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1123
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
55.01868	0.6
61.13334	0.5
61.52135	0.5
71.42824	0.9
71.52079	0.5
76.12025	0.5
81.87187	0.5
141.06981	1.4
151.07533	0.7
152.06201	3.9
153.07001	2.2
154.07799	0.6
161.06001	5.1
165.06992	5.3
166.07724	1.0
167.08594	3.3
169.06555	3.4
169.07773	0.6
169.10144	0.6
170.07251	1.4
174.40480	0.5
177.06981	0.6
180.05722	2.9
181.06493	6.8
182.07324	1.0
183.08099	1.1
184.08870	1.3
185.09618	0.6
193.06482	1.4
194.07201	0.8
195.08078	16.0
196.08847	11.0
197.05971	7.6
197.09688	1.1
198.06731	2.2
199.07512	1.2
199.11240	0.7
203.46536	0.5
208.05145	1.4
209.05905	2.7
210.06717	1.2
211.07562	2.8
212.08348	14.3
213.09134	5.8
215.07019	2.2
219.17865	0.5
222.06822	0.7
223.07544	7.1
224.08321	8.6
225.05469	2.3
225.09052	3.2
226.06239	1.5
226.09796	0.6
227.07103	11.6
227.10655	19.6
230.09383	1.2
237.09071	1.2
238.09923	2.8
239.07037	1.5
240.07805	8.6
241.08617	12.6
242.09384	35.8
243.06552	4.9
243.08846	0.7
245.11761	1.5
253.08652	1.4
255.10184	50.3
256.10565	0.6
257.08112	1.8
258.08893	13.0
273.11230	100.0
274.11572	1.7
279.96069	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.112
Annotation	Dehydroperilloxin
Peak:m/z	Relative Intensity
55.01866	0.9
61.49972	0.6
68.96539	0.6
70.70258	1.5
70.70625	0.9
77.39890	0.8
85.69046	0.7
128.01764	0.6
141.06996	0.7
147.86537	0.6
152.06197	3.6
153.06975	2.5
161.06012	4.3
165.06985	3.5
165.98611	0.7
166.07768	0.7
167.08556	2.7
169.06482	3.4
170.07198	0.7
177.07027	0.8
180.05679	2.5
181.06523	5.3
182.07317	1.7
183.08038	1.3
184.08789	0.8
193.06506	0.9
195.08052	11.7
196.08841	8.3
197.05969	8.1
197.09596	1.6
198.06827	1.9
199.07561	1.6
206.62794	0.7
208.05275	1.0
209.06030	2.6
210.06807	1.0
211.07561	2.8
212.06461	1.2
212.08339	13.9
213.09122	5.0
215.07034	2.3
223.07590	6.4
224.08353	6.9
225.05499	2.2
225.09135	2.8
226.06268	2.0
227.07080	12.3
227.10640	15.3
230.09398	0.7
237.09167	1.3
238.09930	2.5
239.07172	1.1
240.07796	6.4
241.08582	9.2
242.09384	31.1
243.06541	4.1
255.10176	45.6
257.08148	1.0
258.08890	11.1
273.11224	100.0
274.11459	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2214
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03945	2.2
55.01849	1.9
55.05514	11.6
57.07069	3.6
67.05508	13.1
69.07065	11.5
71.04998	16.7
71.08614	2.7
75.98373	1.5
79.05494	12.8
81.06605	2.3
81.07059	38.6
83.08596	6.6
85.06532	7.2
91.05485	19.4
93.07044	40.7
93.76929	1.4
95.04977	8.3
95.08070	2.4
95.08619	37.0
97.06548	4.0
97.10159	4.4
98.21525	5.5
103.31392	1.6
105.07029	37.9
107.08601	31.6
109.06519	14.9
109.10144	14.9
111.08089	14.9
113.09641	4.9
117.07010	7.3
119.08589	48.6
121.09346	1.8
121.10154	26.1
123.08057	3.4
123.11714	13.2
129.07019	3.8
130.07823	1.8
131.08563	22.0
133.10141	28.8
135.08047	1.9
135.11716	12.2
137.09570	4.1
137.13242	3.4
142.07840	3.9
143.08577	13.5
144.09351	2.9
145.10123	36.2
147.11685	14.9
149.09566	2.3
149.13254	5.6
151.11154	4.1
156.09363	2.0
157.10110	16.4
158.10925	3.7
159.11697	47.5
161.09555	3.5
161.13261	15.5
163.11102	3.2
163.14801	3.6
171.11699	12.7
173.13274	16.1
175.11197	2.5
175.14786	7.6
177.12685	4.2
185.13251	11.8
187.14833	7.1
189.12767	2.9
189.16382	18.2
195.08095	2.2
199.14850	18.1
201.16371	2.1
203.14314	6.9
203.17899	5.6
213.16441	9.1
215.17950	57.7
215.19942	3.4
216.18381	1.9
217.15912	6.3
226.06395	1.7
227.07088	1.9
227.10634	2.9
227.17953	3.1
229.19560	6.4
231.21048	1.8
240.07899	2.5
241.08563	3.2
242.09459	4.1
243.06622	1.8
255.10222	8.0
255.21091	42.0
258.08881	2.2
273.08298	1.7
273.11288	13.9
273.18716	6.2
273.22131	100.0
274.27444	4.4
285.52869	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2577
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03950	1.9
55.05513	17.9
57.07085	8.4
65.03944	2.0
67.05506	27.0
69.07073	36.9
70.00760	3.7
70.01157	1.9
71.08627	2.8
79.05492	13.8
81.07059	78.9
83.08628	14.7
85.10181	1.8
91.05478	14.2
93.06480	2.5
93.07047	35.3
95.08611	73.2
96.08894	1.2
97.10165	10.5
105.07034	28.2
107.08599	54.6
109.10165	56.6
111.11700	4.2
117.07008	1.5
119.08594	26.5
121.10150	48.4
123.11703	36.1
131.08546	1.4
133.10143	17.9
135.09367	1.6
135.11703	24.4
135.77824	1.6
136.79900	1.2
137.13258	14.7
137.78632	1.2
145.10098	2.0
147.11684	23.6
149.13266	42.9
151.14883	7.5
157.44096	1.3
161.13266	24.6
163.14830	26.6
163.16112	1.8
165.16342	3.2
175.14821	15.4
177.16385	15.8
189.16386	21.5
191.17963	10.1
201.16365	1.6
203.18001	18.1
217.19519	29.2
231.21097	2.4
255.10197	1.7
255.21011	1.4
273.11230	5.3
273.22751	3.9
273.25778	100.0
274.26361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2579
Annotation	beta-Springene
Peak:m/z	Relative Intensity
54.59291	4.1
55.05509	20.7
57.07080	12.8
60.90147	4.5
67.05517	43.7
69.07080	40.3
71.52193	4.1
79.05505	21.8
81.07065	93.6
83.04983	4.5
83.08612	21.8
91.05474	29.0
93.07046	47.9
95.08618	100.0
97.10174	7.0
105.07030	48.0
107.08608	68.8
109.10147	63.7
111.04494	5.5
117.06972	5.6
117.78773	4.5
119.08596	46.2
121.10164	63.9
123.11736	34.8
131.08554	19.1
133.10146	37.6
135.11717	40.1
137.13258	18.2
145.10121	15.5
147.11691	39.6
149.13254	38.3
157.10147	11.9
159.11711	14.1
161.13297	36.5
163.14851	24.4
171.11755	9.9
173.13248	12.3
175.14850	15.2
177.16383	13.8
184.72490	5.0
185.13283	11.0
187.14781	12.3
189.16402	19.1
191.17938	15.5
195.08133	8.4
197.05998	5.3
198.33469	4.6
199.14755	7.1
201.16408	26.0
203.17967	17.9
213.16447	7.7
217.19609	32.2
227.06967	7.6
242.09451	12.3
243.06583	5.3
255.10162	19.2
255.21069	29.5
273.11261	36.4
273.18735	9.1
273.22202	42.5
273.25742	91.1
274.27548	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	274.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.05513	2.0
56.05029	1.7
56.96555	5.1
60.04515	3.9
60.05649	4.9
61.02932	1.7
62.91262	0.9
69.03427	2.2
69.07071	5.4
69.47545	7.7
70.06597	17.0
70.98122	1.0
71.05008	1.1
72.08160	17.3
72.93772	2.3
77.17914	0.9
81.03406	2.2
84.04514	2.0
84.08150	8.1
85.02898	4.3
86.09708	100.0
90.05546	1.4
90.94799	1.3
91.05482	2.3
95.04987	1.5
97.02873	2.0
98.20786	2.2
98.97590	8.3
103.21156	0.9
107.04951	9.1
109.02868	1.2
110.07163	1.1
110.97547	1.2
111.04472	1.4
112.08748	1.9
115.08659	1.3
115.67912	1.0
116.07108	2.9
116.98626	3.2
119.04964	4.0
120.05265	3.7
121.06432	1.1
123.04426	2.7
124.04752	2.3
124.07543	1.2
127.03914	4.3
128.98593	2.3
129.10260	3.3
130.09709	1.3
131.04915	1.3
131.14966	1.1
132.95758	1.2
135.04398	1.1
137.05991	8.6
139.03900	11.1
139.04929	1.5
140.04274	1.6
142.09758	1.3
143.00127	1.2
144.10208	1.8
147.04443	1.3
148.04773	1.7
149.06000	3.5
151.03914	1.9
152.04239	2.3
157.13367	60.1
158.09322	2.5
158.99681	1.8
165.00804	1.2
175.11920	9.1
177.00700	1.6
178.03871	1.3
182.99741	1.3
185.12856	17.8
187.04379	1.2
200.05263	1.5
201.00676	1.5
202.01659	1.2
203.14038	2.6
218.72171	1.2
219.01910	1.1
241.07959	1.0
244.02795	1.5
244.06918	1.5
256.02551	1.3
256.15469	1.8
257.16055	2.6
274.11432	3.4
274.16412	1.1
274.18790	17.7
274.27264	6.2
275.11066	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	274.2739
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
57.07075	7.5
58.06578	0.8
62.06082	0.8
65.05139	0.3
68.05032	0.3
70.06593	12.7
70.95669	0.6
70.96012	0.4
71.08630	3.3
85.10149	1.1
88.07632	16.3
102.09181	4.1
102.89450	0.3
106.08672	8.7
124.35686	0.4
213.91533	0.3
214.09325	0.6
230.24760	0.6
242.08946	1.9
254.48088	0.3
256.26334	6.6
267.70593	0.3
274.11594	0.9
274.27396	100.0
275.27725	0.9
279.74771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.9752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67091	0.6
56.96566	10.8
69.57459	2.4
69.57887	1.3
70.95864	4.3
71.95271	3.2
74.16056	0.5
77.20396	0.6
82.99873	0.8
84.08184	1.3
85.84972	0.5
89.74298	0.6
98.20798	0.7
98.89288	0.7
98.97588	100.0
101.00883	8.8
102.96878	0.6
115.02439	0.7
116.98625	43.4
118.99256	0.6
119.01923	21.9
120.01993	1.7
121.01723	1.5
124.02426	1.3
125.44646	0.5
127.02411	0.6
130.93315	1.4
131.01886	0.6
132.95857	0.7
134.99672	12.5
137.00298	0.6
137.02985	3.9
140.98882	1.0
142.03496	7.2
143.01895	1.7
143.03621	0.9
144.03282	0.8
145.03450	1.9
153.00662	0.9
153.01785	0.6
155.01915	0.9
157.03453	1.0
158.99899	2.1
159.99863	0.9
160.04593	1.2
160.99597	0.6
161.02966	2.9
164.95952	0.7
169.03453	1.0
172.94368	4.5
175.04486	1.1
177.00941	9.7
177.02415	0.8
178.01056	1.1
179.00652	2.9
185.02942	1.3
187.04555	1.7
190.95186	5.6
197.02937	0.8
203.00775	0.7
203.02493	1.5
206.94348	0.6
208.96025	4.2
208.97931	0.8
214.95398	3.0
216.98874	1.0
219.01991	4.5
220.94496	0.9
221.01810	3.7
229.05504	1.7
232.96205	8.4
233.01390	1.4
234.99870	1.2
238.95590	7.7
239.45647	1.2
239.95547	5.2
240.45593	0.9
240.95403	3.4
240.98769	4.2
243.01938	2.0
247.94542	0.8
248.46126	1.5
248.96092	6.7
249.46069	1.5
249.96600	0.9
249.99332	18.7
250.49429	1.9
250.97137	4.3
250.99603	1.2
251.02167	0.9
251.46321	6.2
251.49011	1.2
251.96381	3.0
252.94618	1.5
256.96548	30.9
257.03519	1.0
257.96698	5.6
258.96454	8.7
258.99997	2.1
259.96719	1.8
260.46841	6.8
260.96994	1.6
261.03085	13.8
261.47586	0.7
261.50079	4.1
262.00269	0.6
262.02966	1.1
262.97137	1.4
263.02887	1.2
263.47116	1.1
271.97873	1.0
274.27356	1.1
274.97443	91.4
275.04544	4.9
275.97726	1.8
276.97470	1.6
277.00928	1.2
279.98114	1.0
283.00067	6.2
284.00143	0.8
292.98508	35.3
293.03479	1.0
297.99060	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47957	0.3
53.03950	0.6
55.01864	1.9
55.05500	0.3
65.03947	1.4
67.01850	0.3
67.05502	1.1
68.99786	1.7
69.03441	0.4
70.18536	1.4
70.18885	0.3
79.05511	0.6
80.02380	0.3
83.04994	1.1
84.08139	0.3
85.02886	0.5
88.36693	0.4
91.05499	0.9
93.03398	0.9
93.07076	0.8
95.04994	1.7
97.02879	0.4
103.05473	3.8
103.43405	0.3
107.04963	53.0
111.04454	3.9
117.07053	1.0
119.04967	0.4
121.02908	0.6
121.06499	4.3
123.04450	0.3
127.03921	0.7
131.04932	2.4
133.06531	0.7
135.04407	0.6
139.03909	100.0
140.04216	1.1
145.06499	8.0
147.04416	0.9
149.05989	23.8
151.03922	0.9
152.11217	0.3
153.05492	0.4
155.06058	0.6
161.06024	1.8
163.03876	0.7
163.07591	1.9
165.44612	0.4
169.05003	1.7
173.05981	3.1
181.04930	0.4
186.40094	0.4
191.07039	7.2
205.37970	0.3
215.07062	0.4
232.40672	0.4
233.08139	1.4
257.08081	1.9
264.27292	0.4
275.04977	0.7
275.09122	5.1
275.11914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
53.03948	0.7
55.01879	1.5
57.18016	0.4
65.03949	1.0
67.05511	0.8
68.99800	1.5
69.03448	0.4
70.27814	0.4
70.76490	0.8
70.76820	0.4
79.05505	0.4
83.05000	1.4
85.02915	0.6
88.26833	0.4
90.93430	0.3
93.03411	1.2
93.07049	0.6
95.04982	1.2
96.48767	0.3
97.02885	0.4
103.05484	3.1
106.80684	0.3
107.04967	47.8
108.05313	0.5
111.04456	3.0
117.07041	0.8
120.08145	0.4
121.02925	0.8
121.06515	4.5
123.04485	0.5
127.03911	0.8
131.04924	2.0
135.04504	0.6
139.03915	100.0
140.04254	0.8
145.06485	7.3
149.05997	23.6
151.03909	0.8
155.06065	0.6
155.65720	0.4
161.05997	1.9
163.03944	0.8
163.07538	1.8
169.04971	1.5
173.06021	1.9
181.05016	0.8
187.07582	0.6
189.09071	0.7
191.07048	7.1
233.08151	1.4
257.08060	1.2
275.04745	0.8
275.09180	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0916
Annotation	Lecanorin
Peak:m/z	Relative Intensity
53.03952	0.7
55.01869	0.9
58.83033	0.3
62.66614	0.3
65.03940	1.8
67.05508	2.6
68.99788	0.3
69.07082	0.3
69.41912	1.5
77.03942	0.5
79.05508	0.5
81.03437	0.3
81.07066	0.6
83.05017	0.3
91.05488	0.7
93.07049	0.4
95.04973	1.3
95.08595	0.4
105.04518	0.3
105.07063	0.7
107.04977	0.9
107.08593	0.5
108.02098	3.1
109.02944	0.4
109.10149	0.6
111.04456	0.7
112.01589	0.5
117.07009	0.3
119.05012	0.3
119.08556	0.6
121.03995	0.6
123.04413	0.6
131.08545	0.4
133.06561	0.4
133.10118	0.3
136.01549	0.7
137.05998	0.4
139.03922	1.0
141.05473	2.3
145.10161	0.3
147.11705	0.3
149.05984	0.3
151.03920	100.0
151.05034	11.4
152.04297	0.8
159.11766	0.4
171.65747	0.3
201.09212	0.3
222.80156	0.2
257.15680	0.3
275.09164	17.5
275.16510	0.6
275.20041	0.9
276.09698	0.4
293.84604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01872	1.6
55.05505	1.1
56.05035	0.9
56.96566	2.4
57.03440	1.2
60.04536	1.2
62.40684	0.8
67.05505	1.3
68.99802	1.3
69.03431	1.4
70.06577	2.0
70.64263	2.3
72.08160	2.1
72.93803	1.7
73.08477	1.0
83.04985	2.3
84.04523	1.3
84.08144	7.0
85.02903	2.5
86.09718	6.3
87.10039	2.2
91.05473	1.1
95.04992	1.6
97.02895	1.6
98.97584	4.9
103.05473	2.7
107.04960	28.1
107.08668	0.9
110.97566	1.0
111.04437	2.8
112.54229	0.8
113.07156	1.1
115.05462	0.9
116.98649	1.5
121.02885	0.7
121.06506	2.9
123.04364	1.2
127.03967	1.9
128.06311	0.7
129.10265	1.9
131.04988	1.7
132.95866	1.8
137.05975	1.4
138.05533	1.0
139.03909	48.0
141.07007	1.5
145.06516	4.0
147.04443	1.0
149.06004	12.0
157.06532	1.4
157.13391	2.1
158.13713	2.2
158.97462	1.0
159.08116	0.8
161.05931	1.7
163.07561	1.6
169.06505	1.6
173.05981	1.5
175.11874	0.9
177.00800	0.9
177.05585	0.7
182.99767	1.0
185.06134	1.3
187.07578	1.4
189.05501	1.1
191.07004	3.9
197.05988	1.8
201.09091	0.8
203.07089	0.9
213.05495	0.8
215.07228	1.6
229.08528	1.2
232.99510	1.4
234.99025	1.6
245.08369	1.0
257.08188	1.1
275.11069	100.0
275.19049	1.7
276.11386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03943	3.7
55.01872	3.9
55.05513	16.4
56.46303	1.7
57.03435	3.7
57.07066	5.2
59.04995	3.6
65.03936	3.1
67.05506	28.7
67.60806	1.9
69.03436	9.7
69.07069	27.5
69.92877	5.3
69.93269	3.8
70.06572	1.9
70.38158	1.7
70.53452	2.3
71.04993	15.8
73.19564	1.6
79.05492	19.4
81.03412	3.7
81.07062	39.9
83.04985	19.1
83.08617	5.2
85.02877	2.5
85.06551	15.9
91.05482	35.5
93.06483	2.6
93.07050	38.0
94.38452	1.9
95.01367	2.0
95.04986	14.7
95.08614	42.2
97.06532	7.3
97.10146	2.9
98.20827	2.5
99.04459	36.6
99.08076	5.4
103.05504	4.1
105.07037	58.4
107.04967	16.4
107.08596	43.1
109.06510	21.6
109.10156	30.7
111.04432	3.7
111.08080	6.3
113.09622	2.5
115.05478	3.9
116.06263	2.2
117.07025	12.8
117.93065	1.9
119.04949	3.4
119.08590	53.4
119.09457	2.6
120.08136	2.4
121.06548	14.3
121.10168	21.9
122.07301	2.8
123.04446	2.1
123.08085	13.3
123.11724	9.1
125.09646	8.1
127.07568	3.2
128.06229	5.3
129.06999	8.6
130.07790	2.5
131.04962	3.0
131.08588	27.9
133.06502	4.9
133.10144	32.8
135.04465	2.4
135.08054	14.4
135.11716	11.2
137.05994	13.9
137.09624	19.6
139.03906	19.9
141.07011	5.2
142.07779	7.1
143.08563	18.8
144.09317	3.9
145.06476	5.2
145.10112	30.0
146.07301	1.8
147.08051	6.8
147.11688	40.2
149.06070	3.7
149.09622	20.5
149.13249	7.7
151.03912	6.7
151.07552	12.4
151.11205	4.4
153.09187	2.6
155.08600	7.5
156.09375	3.3
157.10144	25.0
158.07286	2.5
158.10898	2.9
159.08084	10.1
159.11723	27.9
161.05925	2.6
161.09642	17.8
161.13287	8.9
163.11174	9.0
163.14893	2.3
167.08611	3.1
169.10136	7.3
170.10910	2.7
171.11708	11.2
173.09628	6.9
173.13284	19.4
174.10498	2.2
175.07668	2.1
175.11179	18.3
175.14828	5.3
177.12776	6.2
177.16460	2.4
179.58755	2.1
181.10104	2.7
183.11708	11.8
184.12540	3.1
185.13316	3.2
187.07516	3.6
187.11217	6.9
187.14833	11.1
189.12762	7.7
189.16467	4.8
191.10660	4.4
191.14391	4.6
192.09332	2.3
195.11720	3.8
197.13292	13.8
199.11217	6.1
199.14853	25.6
201.12770	14.1
201.16405	2.8
205.15765	2.3
211.14807	2.7
215.14345	12.3
215.17867	3.5
217.12321	4.4
217.15871	30.2
219.13800	10.5
229.15945	3.3
229.19583	4.6
233.15462	3.5
239.18042	10.2
247.07578	2.6
257.08167	2.7
257.15439	7.6
257.19028	34.4
275.09390	10.0
275.11984	4.9
275.13565	2.1
275.16617	13.4
275.20084	100.0
275.23224	4.7
275.27527	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	275.2009
Annotation	Dicranin
Peak:m/z	Relative Intensity
52.81765	1.0
53.03933	2.8
55.01877	6.2
55.05281	1.4
55.05516	23.2
57.03427	2.6
57.07060	1.9
65.03931	1.5
67.05511	38.1
69.03433	1.1
69.07068	8.2
70.06567	1.0
71.04967	2.8
71.35558	1.2
71.35890	1.6
78.54318	0.8
79.05500	43.3
81.07063	25.0
83.04960	3.0
83.08630	7.6
85.06509	1.6
88.07635	1.0
91.05487	44.2
93.07047	26.9
93.07627	1.3
95.04964	4.0
95.08077	1.1
95.08619	10.9
97.06520	4.0
97.10176	5.0
103.05473	1.9
103.30191	1.0
105.04562	1.3
105.07037	56.0
106.08650	1.0
107.04966	26.8
107.08598	28.2
109.06544	2.6
109.10158	15.5
111.08035	2.8
115.05412	1.4
116.06290	1.1
117.07020	15.7
119.06032	1.0
119.08587	35.3
119.45104	0.9
121.06487	2.2
121.09454	1.0
121.10162	10.2
123.08038	1.7
123.11696	4.0
125.09632	4.1
129.07011	3.8
130.07771	1.0
131.08582	17.1
133.10144	34.6
134.94794	1.0
135.08057	7.4
135.11693	3.7
141.07036	1.1
143.08571	2.7
145.10136	13.5
147.11702	24.0
149.09628	46.1
149.13225	1.2
153.09094	1.1
153.57947	0.9
155.08556	1.9
155.10660	1.3
157.10095	2.8
159.11697	10.3
161.09639	1.9
161.13260	7.9
163.11214	2.2
165.08752	1.0
167.10660	1.1
169.10144	1.8
169.12231	2.3
171.11693	1.9
173.11731	2.6
173.13277	7.1
175.11157	1.2
175.14862	1.2
177.12701	1.3
183.11699	1.9
185.13310	1.5
187.11194	2.8
187.13303	1.6
187.14804	1.6
197.13239	2.5
205.12257	1.4
215.18062	2.8
229.19528	8.9
233.15358	1.3
239.17982	3.5
247.20628	2.2
257.19028	17.0
262.26593	0.9
275.20078	100.0
275.27750	9.6
276.20438	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	277.0323
Annotation	selenoneine
Peak:m/z	Relative Intensity
52.51858	16.4
57.58391	17.8
62.17210	16.4
66.41187	16.9
68.84624	19.2
70.76805	30.4
70.77120	22.5
101.00907	25.1
128.47002	17.5
167.89900	18.5
277.03192	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
73.17508	0.4
74.17737	0.5
76.82356	0.5
94.74833	0.5
121.66142	0.5
121.67017	0.5
129.36363	0.5
146.02101	1.3
183.34608	0.5
228.63422	0.5
231.23404	0.5
277.08954	100.0
278.09372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1073
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
50.59536	0.7
55.01877	0.9
55.05509	1.3
57.03430	0.7
66.20342	0.7
67.05502	1.7
69.07066	1.5
69.32826	0.7
70.09285	1.7
70.09698	1.1
72.72238	0.6
73.04343	0.6
74.77933	0.7
79.05493	2.0
81.07048	2.7
83.04964	0.8
83.08628	0.7
91.05484	2.6
93.07048	1.8
95.08615	1.9
101.58865	0.6
102.02879	0.6
103.05463	0.7
105.07019	2.6
107.04953	0.8
107.08575	1.0
109.02887	0.9
109.06496	0.7
109.10157	1.4
110.88982	0.6
111.40725	0.6
115.05462	2.1
115.87389	0.6
117.07027	1.6
119.08575	1.1
119.36327	0.6
121.06518	3.0
121.10146	1.9
123.08074	0.7
128.06244	5.1
129.06982	2.4
130.07741	1.4
131.04906	0.8
131.08627	1.0
133.06415	0.7
137.05994	1.8
137.17053	0.6
141.06995	2.6
142.07744	0.8
143.08557	2.9
144.05687	1.0
145.06496	4.6
146.07239	1.8
147.04395	0.8
147.08081	1.7
157.06508	2.9
158.07289	8.7
159.08070	3.7
160.05186	0.9
160.08846	4.4
161.05992	11.2
162.06740	2.1
163.07584	0.8
170.07326	0.8
171.08080	2.1
172.08835	7.6
173.05992	5.1
173.09625	4.0
174.06757	4.1
174.10371	1.7
175.07545	3.7
175.11189	5.5
176.08379	1.5
184.05229	0.6
185.06082	0.7
187.07581	5.5
188.08334	22.2
189.09108	6.3
190.09860	1.4
198.06807	1.1
199.07520	0.8
200.08334	2.8
201.05498	0.8
201.09119	1.2
203.10681	81.0
204.11063	1.4
205.12224	6.6
206.07236	1.3
207.10179	2.2
213.09134	4.3
215.07091	1.3
216.07828	7.1
231.10179	70.2
232.10431	1.1
233.11702	1.7
234.06709	2.0
241.08653	0.7
244.07248	1.8
249.08983	1.8
249.11232	6.0
259.09683	100.0
260.09930	2.2
262.06201	1.1
277.10849	31.4
277.21744	1.1
277.25696	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.0
56.05045	10.0
58.99587	8.6
68.05017	1.9
69.38963	6.4
69.39378	2.5
74.02448	1.4
75.02691	1.4
76.02222	5.2
76.04003	3.4
84.04499	2.9
85.01132	62.6
86.99043	4.4
87.02645	1.3
91.05476	1.5
94.65723	1.2
98.09679	1.5
102.03773	93.6
102.05550	62.0
105.06986	1.2
112.03922	1.4
114.21822	1.1
116.01670	15.6
119.04945	1.3
144.01152	2.6
159.05925	1.3
162.02196	3.5
174.70064	1.1
174.71863	1.2
188.03792	16.8
199.58806	1.2
205.06432	100.0
230.29965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1799
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
50.23714	0.2
51.02365	0.4
53.03946	0.8
55.01870	9.4
55.05512	4.4
56.38847	0.2
56.66645	0.2
57.03437	0.4
57.07080	1.7
58.65281	0.2
59.04997	0.2
60.60626	0.3
65.03938	0.5
67.05504	6.3
68.05821	0.2
69.03430	0.8
69.07069	3.9
69.60931	1.5
71.04994	0.4
71.08632	1.0
75.73222	0.2
79.05490	9.0
81.03463	0.3
81.07055	37.3
82.07410	0.3
83.04990	2.2
83.08614	1.9
85.06524	0.3
91.05481	4.5
93.06481	0.4
93.07044	5.7
95.04964	1.0
95.08609	6.3
97.06539	1.3
97.10165	0.4
99.08083	0.5
101.09630	0.4
105.07043	4.3
107.04965	0.5
107.08597	5.5
109.06517	13.7
109.10152	2.7
111.04443	12.0
111.05228	0.5
111.08095	0.9
113.05984	0.5
117.07034	0.7
119.08584	5.1
121.06503	0.6
121.09325	0.4
121.10151	4.2
123.08074	1.9
123.11706	1.6
125.05986	4.1
125.09605	0.8
128.06223	0.4
129.07042	0.4
131.08574	1.8
133.06500	0.4
133.10121	4.5
135.08060	2.2
135.11693	3.8
137.05977	100.0
137.13229	1.5
138.06331	0.9
139.07576	0.5
142.07756	0.4
143.08566	1.3
143.67044	0.2
145.10130	1.8
146.07234	0.3
147.08043	1.4
147.11685	5.1
149.02316	0.7
149.09616	2.8
149.13239	1.9
151.07553	2.5
151.11197	0.9
151.41132	0.2
157.10112	1.6
159.11676	1.2
160.08932	0.3
161.09627	5.5
161.13260	2.0
163.07552	0.5
163.11218	2.5
163.14833	0.7
165.09114	2.0
165.12703	0.7
167.10658	0.6
169.10193	0.3
171.11699	1.1
173.13252	0.8
175.11189	4.8
175.14833	1.1
177.09081	0.9
177.12762	0.5
179.10666	2.0
179.14378	0.3
181.12288	0.6
185.13203	0.6
189.12756	0.8
189.16478	0.2
191.14366	0.3
193.08626	0.3
193.12219	1.0
197.13165	0.6
201.16364	0.4
203.10674	0.2
203.17955	4.3
205.19450	0.6
207.13818	0.3
213.16374	2.2
217.12189	0.3
221.15393	0.3
221.19006	1.3
223.14803	0.5
231.17445	5.8
235.13345	0.6
235.16910	1.0
241.15886	1.5
249.08966	0.4
249.18507	3.2
259.16937	0.5
259.20511	1.0
277.08533	1.0
277.17960	6.6
277.21472	3.9
277.28122	0.5
295.18872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.18
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03940	0.8
55.01873	10.6
55.05517	4.3
55.86818	0.3
57.07072	1.0
59.04999	0.2
65.03951	0.5
67.05176	0.5
67.05508	5.7
69.03413	0.6
69.07072	3.5
70.42914	0.2
71.08617	0.4
79.05499	7.8
81.07059	35.8
83.04971	1.8
83.08640	1.3
85.06548	0.4
91.05489	2.7
91.93281	0.3
93.07051	4.7
95.04946	0.6
95.08613	4.9
95.74034	0.3
97.06541	1.0
103.05415	0.3
105.07036	2.8
107.08607	3.3
109.06527	14.0
109.10164	2.3
111.04449	11.5
111.05229	0.6
111.08044	0.5
113.05997	0.3
119.08582	3.5
121.06556	0.3
121.10163	3.2
123.08102	1.1
123.11732	1.5
125.06006	4.8
128.06192	0.3
129.06961	0.4
131.08585	2.0
131.70427	0.3
133.10152	3.5
135.08080	2.3
135.11713	3.2
137.05983	100.0
137.13217	1.3
138.06375	0.7
139.07562	0.3
142.07794	0.4
143.08585	0.9
145.10135	1.1
147.08026	0.9
147.11687	4.2
149.09625	2.6
149.13271	1.2
151.07562	2.7
151.11113	0.7
157.10112	1.5
159.11736	0.8
160.08867	0.3
161.09627	5.3
161.13264	1.7
163.07545	0.5
163.11139	1.9
163.14838	0.7
165.09119	2.0
165.12758	0.5
167.10698	1.0
171.11740	0.6
173.13266	0.3
175.11195	3.7
175.14839	0.8
177.09023	0.5
177.12740	0.6
179.10701	1.6
181.12325	0.4
185.13290	0.4
189.12746	0.9
193.08597	0.3
193.12207	1.1
197.13182	0.3
203.14302	0.3
203.17964	4.0
205.19513	0.3
207.13841	0.5
213.16411	2.6
221.19058	1.3
223.14778	0.4
231.17459	6.0
233.12050	0.3
241.15855	1.1
249.18520	3.2
258.05508	0.2
277.18039	5.1
277.21295	0.6
295.18854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1801
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03942	1.4
55.01871	11.7
55.05513	8.1
57.07066	1.3
65.03931	0.8
67.05509	10.9
69.03430	0.7
69.07072	6.1
69.41602	3.6
71.04994	0.7
71.08618	0.6
79.05499	20.9
81.07059	46.7
83.04977	2.3
83.08619	2.7
91.05482	7.9
93.07053	23.8
93.07548	0.3
95.04970	1.1
95.08611	11.0
97.06534	1.4
97.10191	0.8
99.08086	0.6
105.04562	0.5
105.07038	5.9
107.04926	0.5
107.08595	13.0
109.06527	13.6
109.10169	4.0
111.04453	12.4
111.08056	1.0
111.77740	0.4
117.07070	1.3
117.66272	0.5
119.08578	6.0
121.06501	0.6
121.10157	12.0
123.08044	2.0
123.11726	2.0
124.96272	0.4
125.06012	3.3
128.06148	0.8
129.07002	1.4
131.08595	2.7
133.10136	6.5
135.08073	2.0
135.10800	0.3
135.11699	16.2
137.05984	100.0
137.13255	1.7
138.06343	0.6
143.08565	1.4
145.10141	1.8
147.08061	1.4
147.11702	5.6
149.02368	0.8
149.09651	3.3
149.13264	6.3
151.07539	2.3
151.11150	0.9
157.10133	1.4
159.11699	1.7
161.09637	5.3
161.13226	2.7
163.11214	2.5
163.14812	1.2
165.09142	2.0
167.10635	0.6
171.11684	1.2
173.13303	0.8
175.11208	4.5
175.14818	0.9
177.12759	1.0
179.10692	1.9
181.12267	1.0
185.13268	1.2
187.14850	0.4
189.12698	0.8
193.12263	0.7
195.13756	0.5
203.17935	3.9
213.16359	2.8
221.15334	0.6
221.19012	1.3
223.14920	0.4
231.17439	6.2
234.07024	0.4
235.16956	1.7
241.15805	0.6
243.84674	0.4
249.18529	3.2
259.20612	1.0
277.15265	0.4
277.18097	7.4
277.21671	16.4
278.21719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.67397	1.0
53.03950	5.1
55.01863	1.7
55.05516	15.1
57.03432	1.3
57.07080	51.4
59.04990	1.6
61.24342	0.9
65.03924	1.2
65.33236	0.9
67.05183	1.5
67.05508	23.5
69.03423	1.3
69.07073	14.3
69.85895	4.9
70.06580	2.4
71.04974	1.6
79.05500	60.4
81.07066	28.4
83.04969	1.6
83.08621	6.5
85.06545	1.4
91.05485	23.2
93.07050	76.1
95.04950	3.7
95.08614	21.5
95.09196	0.7
97.06524	1.5
97.10159	3.2
99.04475	1.1
99.94729	0.9
105.04507	2.8
105.07030	12.5
107.07877	2.2
107.08595	38.1
109.06499	1.9
109.10167	8.7
111.08064	1.4
111.11679	1.2
117.07018	2.8
119.08595	8.6
121.06517	0.9
121.10152	36.9
122.10535	1.0
123.04419	3.1
123.08063	2.2
123.11688	2.7
125.09593	1.4
129.07028	1.9
131.08568	4.1
133.10144	8.2
135.08081	2.1
135.11697	34.8
137.09544	1.2
143.08543	2.4
145.10115	3.3
147.11703	5.5
149.09650	1.7
149.13281	17.1
157.10088	1.7
159.11714	3.8
161.09665	1.1
161.13258	4.7
162.65060	0.9
163.07529	1.6
163.11154	1.6
163.14839	4.7
171.11734	2.2
173.13266	2.6
173.59990	1.1
175.11267	1.2
175.14857	2.0
177.12791	2.1
179.10681	31.0
185.13304	1.4
193.12204	1.3
195.13759	1.1
199.14677	1.4
210.31886	1.1
217.15775	2.1
219.13860	4.7
221.15414	2.7
235.16939	100.0
236.17439	1.4
241.19603	2.4
259.20535	2.9
277.08453	1.8
277.17975	88.3
277.21573	52.5
277.28268	22.3
285.52267	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2166
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03934	7.4
55.01882	8.4
55.05516	23.1
57.03443	10.9
57.07074	6.9
65.03943	4.2
67.05515	43.6
69.07077	21.9
71.04996	3.0
77.03896	2.0
79.05499	80.8
81.03459	1.7
81.06602	2.7
81.07064	51.9
83.04980	1.8
83.08630	13.8
85.06532	4.5
91.05491	32.6
93.07053	100.0
95.04965	6.6
95.08620	45.6
97.06527	3.4
97.10165	6.1
99.08073	2.8
105.07037	20.8
107.08611	62.0
109.06518	4.3
109.10168	14.2
111.08080	10.4
113.05972	2.3
117.06997	3.4
119.08603	17.4
121.10158	60.2
123.08088	2.8
123.11691	5.7
125.09658	2.6
129.07022	1.6
131.08586	9.6
133.10158	16.8
135.10715	3.0
135.11711	54.2
137.05963	1.7
137.09612	5.3
143.08562	3.5
145.10155	6.4
147.08083	1.7
147.11739	13.3
149.09596	2.1
149.13274	27.5
151.11179	3.9
157.10173	2.2
159.11691	5.7
161.13225	6.4
163.11230	2.9
163.14809	6.4
165.12955	2.1
171.11659	3.1
173.13319	1.9
175.14818	2.5
177.12799	2.4
181.12251	1.7
185.13249	3.3
187.14819	6.6
189.12805	1.7
195.13847	2.6
199.14828	2.9
203.18028	2.0
205.15881	3.6
207.13835	2.6
213.16548	1.8
221.15388	3.6
229.05710	2.1
231.20988	1.9
235.16867	3.8
241.19519	6.6
259.20673	9.1
277.18454	4.4
277.21637	93.2
278.21841	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.83604	1.2
53.03938	5.1
55.05518	15.0
57.07074	2.6
58.19022	1.4
65.03931	1.6
65.66062	1.2
67.05513	33.8
68.32912	1.0
69.07078	13.6
70.13419	5.1
71.04991	2.1
79.05503	71.0
81.07065	38.0
83.04982	2.6
83.08628	8.7
85.06538	1.9
91.05486	27.1
93.07053	100.0
94.07299	1.3
95.04975	3.7
95.08617	26.2
97.06546	2.0
97.10171	3.6
105.04472	2.0
105.07045	14.9
107.08606	48.3
108.10297	1.2
109.06519	1.8
109.10161	13.2
117.07001	2.9
118.87837	1.2
119.08595	11.4
121.10160	42.4
123.08090	2.2
123.11697	2.7
129.07069	1.6
131.08569	4.2
133.10144	12.8
135.07962	1.6
135.11708	55.1
137.09529	1.4
143.08594	1.6
145.10143	3.7
147.11681	7.3
149.09668	1.6
149.13263	25.8
157.10051	1.6
159.11708	3.4
161.13289	5.5
163.11206	1.8
163.14856	7.7
171.11755	2.9
173.13318	1.8
175.14848	2.4
177.12770	1.4
183.11891	1.3
185.13200	3.5
193.12296	2.0
195.13875	2.9
203.14375	1.6
213.16344	1.8
217.07996	1.2
221.15445	3.8
231.17386	1.4
235.17094	3.2
239.56371	1.3
241.19528	2.3
242.03442	1.3
259.20667	5.7
277.21671	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02358	1.0
53.03943	6.4
55.05515	17.3
57.07072	1.7
65.03938	1.7
67.05506	28.1
69.07065	12.3
69.11404	1.0
70.56290	1.1
70.56619	2.3
71.04980	1.8
77.03901	1.8
78.40907	1.0
79.05493	75.4
81.06596	2.1
81.07055	34.2
83.04972	1.4
83.08625	7.3
85.06538	1.8
91.05482	26.9
93.07045	100.0
95.04972	5.6
95.08602	23.4
97.06506	1.7
97.10172	4.3
99.08062	2.1
105.04506	1.7
105.07029	15.8
107.08596	47.6
109.06504	2.1
109.10155	10.9
111.08051	1.6
117.07055	2.6
119.08598	11.2
121.10145	42.2
123.11710	3.6
129.07005	1.4
131.08588	3.5
133.10143	12.8
135.08095	1.3
135.11693	48.3
135.12733	2.3
137.09610	1.4
142.33096	1.0
143.08562	2.6
145.10085	4.3
147.11668	7.2
149.09604	1.4
149.13251	20.0
151.11200	1.1
157.10095	2.1
159.11726	1.8
161.13249	4.2
163.14781	5.6
171.11742	3.6
173.13231	1.8
175.11191	1.4
175.14868	2.9
177.16231	1.4
185.13290	2.3
193.65511	1.1
195.13832	2.2
199.14821	1.3
207.13861	1.6
213.16386	1.5
217.15886	1.1
218.21922	1.0
221.15411	3.9
235.16986	4.4
241.19551	2.3
259.20560	3.1
277.21631	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	279.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60155	1.5
56.96571	6.9
59.29564	1.6
71.41110	2.2
71.95260	2.1
80.94845	14.9
84.96040	2.0
86.09711	3.0
96.92258	2.1
98.91958	5.0
98.97587	100.0
100.91722	1.7
104.10736	6.5
110.97556	12.3
112.89610	2.0
114.89349	19.7
116.98629	46.1
119.01966	2.3
128.98616	13.8
134.99689	15.6
136.94038	8.5
143.00162	3.5
146.99631	6.7
158.99661	37.9
161.02953	3.1
170.99617	5.7
177.00732	55.0
180.97435	1.9
189.00761	13.7
195.01747	3.3
196.86778	2.8
196.98219	2.3
207.01685	5.5
219.01778	6.7
221.01740	6.9
230.85075	1.5
237.02815	15.2
250.76924	1.5
255.03964	7.9
279.04431	14.8
279.09418	6.3
280.09323	1.9
297.05017	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
56.96563	8.4
57.03417	0.9
57.07068	0.5
59.09098	0.4
59.70079	0.5
66.46100	0.4
69.03425	1.7
70.66612	1.6
70.98134	0.8
71.95273	0.7
72.93772	0.6
73.02917	1.0
84.08119	0.8
84.15044	0.6
84.96022	1.0
85.02926	2.3
85.21696	0.5
86.09714	0.7
97.02881	2.1
98.97586	100.0
101.00913	0.9
102.96867	0.7
110.07162	0.6
110.97573	27.6
112.99143	1.2
116.98627	24.3
119.01851	1.0
124.99150	1.2
127.03917	1.0
128.98613	13.5
131.00208	0.7
134.99629	4.1
140.00189	0.8
140.98604	0.6
143.00183	1.8
144.00856	0.6
146.99695	3.8
149.02313	2.6
152.98582	0.7
158.99663	45.4
160.98917	0.5
162.37694	0.6
170.99660	14.6
172.97580	0.8
177.00726	31.4
182.03450	0.7
182.99658	1.2
188.99016	1.2
189.00728	21.0
189.02278	1.5
193.72095	0.5
195.00031	0.6
195.01799	1.6
198.02904	0.7
201.00591	2.4
207.01793	8.7
214.98695	0.5
219.01735	6.5
237.02812	9.2
249.02803	0.8
255.04021	3.0
256.03073	0.9
261.02756	0.9
279.03827	6.4
297.05115	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0934
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.02377	0.3
51.52106	0.2
53.03942	0.9
57.07066	0.6
67.05492	0.4
70.45211	0.4
70.45584	0.3
74.44184	0.2
77.03959	0.7
79.05489	0.2
81.07033	0.4
91.05450	0.2
92.62270	0.2
95.00510	1.1
95.04985	1.1
95.08585	0.3
98.21190	0.4
105.03387	0.3
105.04501	0.7
121.02862	0.3
122.99960	0.4
128.06218	0.7
129.06987	1.0
133.01982	0.3
141.00995	0.7
141.06995	0.2
149.02351	5.7
154.07755	0.8
171.03604	2.1
173.05170	8.0
183.03558	1.2
191.24030	0.2
192.43480	0.2
199.03032	0.4
201.04648	35.5
202.04958	0.4
207.08009	0.2
214.04865	0.2
219.05710	52.2
220.06042	0.8
242.07291	0.3
251.06958	0.3
251.10754	0.3
279.09341	100.0
280.09650	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1375
Annotation	Pantetheine
Peak:m/z	Relative Intensity
55.01870	1.4
55.05515	2.4
57.07079	13.3
60.04521	1.2
61.01154	5.6
65.03929	1.5
66.20486	1.1
67.05511	2.4
69.03433	1.4
69.07086	1.1
69.67603	4.4
70.06593	3.7
72.04526	8.3
72.08162	2.1
78.03799	11.2
79.05506	1.4
81.07068	2.1
83.08601	2.2
85.02913	1.3
85.06548	2.5
86.09712	1.2
88.02209	2.1
91.05489	2.3
93.07059	1.2
95.04971	2.5
95.08613	1.4
97.02978	1.2
99.05644	1.3
102.03778	17.4
103.02145	1.4
103.05511	1.6
104.17986	1.0
105.07062	1.3
109.10188	1.6
113.06001	1.7
114.03761	1.5
116.01682	3.0
119.04980	2.2
120.04829	1.8
120.08121	1.1
121.02881	4.8
121.10084	1.1
123.04443	1.6
124.07595	1.2
129.10199	1.1
131.06390	7.9
132.04828	10.1
133.06464	1.2
144.06641	1.0
145.06538	2.1
147.04439	4.8
147.08102	1.1
149.02359	100.0
149.07457	50.5
161.06056	2.2
162.02205	3.5
165.05440	1.3
167.03352	1.1
173.05977	1.8
177.05508	2.1
178.06300	1.3
187.04012	1.2
191.03366	1.3
191.08615	1.9
201.12680	1.1
205.04999	1.4
205.08688	1.5
206.05861	6.8
219.02888	2.7
219.08168	1.5
221.08142	1.4
224.12407	1.1
233.08093	1.4
235.06026	21.9
251.10820	1.6
261.12775	14.8
279.06110	1.7
279.08691	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	279.1704
Annotation	Leu Phe
Peak:m/z	Relative Intensity
56.05035	0.4
57.07069	0.6
58.06606	0.3
69.07072	12.7
71.04980	0.7
77.60833	0.3
82.72166	0.3
86.09709	100.0
87.00696	0.5
87.10051	0.5
102.05532	0.5
103.05478	0.8
104.03334	0.7
117.30031	0.3
120.08111	11.4
120.08955	0.7
123.89922	0.3
149.02357	4.6
149.07417	0.3
166.08655	5.5
190.05655	0.3
200.80695	0.3
202.73546	0.3
207.06000	0.6
233.16487	0.3
251.10568	0.4
279.16992	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	279.1706
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
55.80997	0.5
57.07074	0.6
69.48240	3.9
86.09710	100.0
91.05451	1.2
93.07046	1.0
98.20809	0.8
103.05482	4.9
120.08114	86.4
132.10226	1.7
149.02325	3.3
166.08638	9.9
233.16484	1.5
237.74152	0.5
251.10808	1.0
279.17059	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	279.1704
Annotation	H-PHE-LEU-OH
Peak:m/z	Relative Intensity
53.03947	0.2
57.07082	1.2
57.56896	0.2
60.04530	0.2
67.05505	0.4
69.03435	0.2
69.07057	0.8
70.06619	0.3
70.13648	0.6
70.14011	0.4
71.04953	0.2
76.28722	0.2
77.62333	0.2
79.05505	0.3
81.07052	0.3
84.08132	0.6
85.02901	0.3
86.09708	8.2
91.05479	1.1
93.07055	2.0
95.04984	0.3
95.08657	0.3
103.05474	5.8
105.07032	0.5
108.24596	0.2
119.08572	0.2
120.08109	100.0
121.02883	0.4
121.08460	0.7
124.19395	0.2
129.10271	0.6
131.08575	0.3
132.10211	3.3
143.06822	0.2
145.06497	0.4
147.04378	0.5
149.01160	0.5
149.02348	8.1
149.07457	0.3
163.03961	0.5
173.12927	0.4
185.08044	0.3
190.07835	0.5
191.08563	0.7
218.07339	0.3
219.08107	0.9
221.08139	0.4
233.16483	2.3
236.08362	0.3
247.07639	0.5
251.10713	1.6
279.10370	1.7
279.17020	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	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03947	1.4
55.05517	9.4
57.03444	1.0
57.07071	2.0
65.03946	2.6
66.04720	0.4
67.05508	99.2
69.07073	8.6
71.04993	1.3
78.55038	0.5
78.96447	0.4
79.05499	12.9
81.07061	100.0
82.07398	0.6
83.04990	0.9
83.08629	5.2
85.06543	2.0
91.05488	4.8
93.07051	14.7
95.04969	0.7
95.08612	79.7
96.40286	0.5
97.06529	1.3
97.10176	3.1
99.08061	0.6
105.07043	3.3
107.08610	8.0
109.06520	1.1
109.10162	45.6
111.08102	0.9
111.11733	1.2
113.06052	0.5
117.07024	1.6
119.08596	4.1
121.06502	0.6
121.10152	7.9
123.08075	1.3
123.11720	24.9
125.13296	0.5
127.07555	1.0
131.08598	3.5
132.05434	0.4
133.10149	3.5
135.08054	0.9
135.11703	4.9
137.09612	1.4
137.13268	9.4
145.10124	3.3
147.11694	1.9
149.02365	4.8
149.09657	2.1
149.13293	2.8
151.11147	1.2
151.14824	2.5
153.09103	0.4
159.11688	2.2
161.13304	2.3
163.11192	1.4
163.14816	1.5
165.12811	1.1
165.16388	1.3
167.10695	1.2
173.13258	3.4
175.14919	0.6
177.12718	2.0
177.16380	1.2
179.14449	0.8
181.12244	1.2
187.14816	2.8
191.14290	1.5
195.13808	2.5
205.15909	1.2
209.15378	2.6
219.21074	1.2
223.16876	2.7
237.18454	1.5
243.21095	3.2
261.22171	5.0
269.73978	0.4
279.09485	0.5
279.19998	1.6
279.23203	38.0
280.23505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.11887	0.7
55.05513	9.3
56.47387	0.8
57.07062	2.4
65.03938	2.1
67.05509	100.0
69.07068	6.5
70.96528	1.2
70.96848	1.1
75.94080	0.9
79.05494	10.9
81.07061	96.6
83.04942	1.0
83.08624	4.4
84.75217	0.7
85.08424	0.8
91.05491	2.6
91.20570	0.8
93.07048	8.1
95.08613	64.8
97.06526	1.4
97.10158	2.5
105.07028	1.9
107.08597	5.5
109.06483	1.0
109.10165	35.1
119.08566	1.7
121.10134	4.0
123.08068	0.9
123.11720	21.6
131.08578	3.4
133.10139	2.5
135.11670	3.0
137.09630	0.9
137.13240	8.1
145.10115	1.2
147.11703	1.2
149.02356	8.5
149.09639	1.0
149.13277	2.0
151.14807	2.2
159.11687	1.1
161.13242	1.2
163.11157	0.9
163.14813	1.4
173.13277	2.3
177.12718	1.1
179.14314	1.7
187.14888	1.4
190.25606	0.9
195.13771	1.3
209.15404	0.9
214.10866	0.9
223.16899	1.4
243.21060	1.1
261.22079	3.0
279.09192	1.5
279.23224	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	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03950	1.7
55.05517	10.1
57.03444	0.9
57.07090	3.8
60.61224	0.5
65.03951	2.7
67.05511	99.1
69.07070	8.8
69.15823	5.5
71.05006	1.5
71.08648	0.7
79.05499	12.8
80.06248	0.5
81.07063	100.0
83.04977	1.3
83.08625	5.9
85.06559	1.4
91.05499	4.4
93.07053	13.3
95.04958	1.3
95.08615	80.3
97.06549	2.0
97.10172	3.9
98.03942	0.5
98.20780	0.9
99.08157	0.6
101.06001	0.6
105.07059	3.9
107.08611	9.0
109.06571	0.6
109.10166	46.9
111.08118	0.9
117.07030	1.0
119.08598	3.2
121.02865	0.7
121.06425	0.7
121.10155	8.3
123.08090	1.0
123.11712	25.7
127.07580	0.7
131.08575	4.2
133.10158	3.7
135.08081	0.9
135.11725	4.9
137.09628	1.6
137.13278	8.6
141.09079	0.8
145.10144	3.3
147.11713	2.6
149.02361	14.8
149.09601	1.6
149.13303	2.9
151.11201	0.9
151.14836	3.0
159.11717	2.3
161.13272	1.7
163.11212	1.3
163.14824	1.1
165.12724	0.9
165.16412	1.0
173.13283	3.3
175.14833	0.6
177.12796	1.5
179.14333	1.3
181.12247	1.6
186.71234	0.5
187.14845	3.2
191.14340	0.8
195.13753	2.5
205.15959	1.0
209.15352	2.9
219.05783	0.9
219.20949	0.9
223.16983	3.4
237.18427	1.2
243.21104	3.3
261.22159	4.6
268.34601	0.5
279.09369	0.7
279.19876	2.1
279.23203	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	280.0269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05558	0.5
53.03945	1.2
55.05514	1.4
55.93527	2.0
56.05031	0.9
56.94305	1.7
56.96562	2.4
57.03419	1.0
57.07066	1.5
58.07396	0.8
65.03918	0.7
67.05505	0.7
69.03413	1.3
70.06580	2.8
70.95857	3.7
71.25298	0.6
71.50993	1.3
71.92998	0.7
72.08164	3.7
72.93790	5.3
81.03414	2.4
84.04504	1.6
84.08156	3.5
84.96036	0.8
85.02886	2.3
86.09698	0.8
88.96889	1.2
90.94826	2.8
91.05479	7.7
93.07044	3.2
97.02898	1.7
98.97558	3.4
103.04792	1.3
103.05463	13.2
105.07069	0.6
107.04949	2.7
110.07172	1.8
111.07502	0.8
116.98621	1.9
119.04957	1.2
120.08109	100.0
121.02929	0.8
121.06496	0.7
121.08459	1.1
127.03960	0.8
128.96286	0.6
129.10266	1.7
131.04956	1.5
131.97469	1.1
132.95833	5.9
133.02882	0.8
133.06114	0.7
134.99632	0.7
136.07549	3.3
137.05975	1.2
142.10638	0.8
142.89288	0.8
143.00200	1.2
147.04349	0.7
148.07549	1.2
149.00490	1.2
149.02325	6.7
149.06000	0.9
149.98511	1.7
150.02684	7.4
150.96913	6.5
165.00066	1.1
166.97878	1.3
170.97415	0.8
174.07655	0.8
175.02086	1.1
176.01587	14.8
177.00703	1.2
177.10289	1.0
178.25009	0.7
184.99057	0.8
190.03152	2.3
190.97780	0.8
192.01051	1.0
192.99600	0.7
193.04364	3.6
193.99072	0.9
194.97411	2.6
202.04895	0.7
212.98491	2.4
216.14317	0.8
219.01204	2.4
220.00624	1.1
220.09830	0.9
222.96883	0.7
233.98625	0.9
234.02135	14.7
234.04480	0.9
235.00586	3.7
236.98363	0.7
238.01622	15.3
240.98082	0.9
256.06082	0.7
262.01697	3.5
263.00092	0.7
265.98676	0.8
279.99759	1.0
280.02701	15.2
280.11682	0.7
281.01157	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1296
Annotation	Gly Phe Gly
Peak:m/z	Relative Intensity
54.46591	0.2
55.05513	0.3
56.96558	0.5
57.07072	0.3
57.40396	0.3
67.18216	0.2
69.95293	1.0
70.06598	1.2
71.07996	0.2
72.08157	0.6
74.06083	0.5
76.04005	2.5
84.08162	1.0
85.02904	0.4
86.09703	0.3
88.47599	0.2
91.05477	1.2
93.07044	1.6
95.04974	0.2
97.02900	0.2
98.97597	1.0
103.05469	5.5
107.04979	0.3
110.07193	0.3
116.07084	0.7
116.98685	0.3
117.07429	0.2
119.04929	0.6
120.08112	100.0
121.08451	0.6
124.33717	0.2
129.10234	0.3
132.08104	1.2
133.06105	2.5
136.07590	1.4
137.06097	0.2
142.57190	0.2
147.04381	0.4
149.02390	1.2
150.02730	1.2
158.99692	0.4
177.10225	3.7
205.09749	5.6
216.14273	0.2
259.05304	0.2
280.12827	0.8
291.50381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	12.2
55.01860	4.6
55.05518	31.0
56.24048	1.4
57.03442	28.3
57.07066	5.0
59.05017	1.7
65.03938	5.0
67.05510	94.2
69.03440	2.8
69.07071	21.7
70.06598	1.6
71.04977	3.5
71.38960	1.8
71.51321	3.5
73.06555	2.2
76.73477	1.5
79.05499	100.0
81.03433	16.3
81.07062	71.8
83.04993	31.3
83.08640	10.8
85.06548	5.7
91.05482	72.6
93.07048	71.0
95.04973	28.5
95.08612	40.2
97.02880	1.8
97.06521	6.3
97.10167	7.1
103.05486	2.1
105.03396	1.8
105.04556	3.3
105.07039	53.4
107.04961	15.4
107.08601	27.8
109.06535	9.1
109.10155	10.2
111.08092	4.0
111.48103	1.5
115.05466	2.3
117.07006	13.0
119.04961	1.9
119.08583	33.0
121.06512	5.6
121.10164	9.2
123.08060	9.6
123.11678	3.5
127.07598	1.7
128.06160	2.2
129.07018	18.4
131.08551	6.9
133.06459	2.5
133.10153	13.1
135.08028	2.4
135.11690	4.5
137.09598	1.7
141.07036	2.1
143.08594	12.7
145.10144	13.7
147.08066	2.9
147.11688	40.2
155.08597	2.4
157.06470	2.0
157.10176	2.2
159.11635	3.0
161.09653	5.4
161.13254	14.3
167.41281	1.8
169.10136	3.1
171.11707	31.5
181.04829	2.1
183.11678	2.7
189.12743	10.9
192.58214	1.8
193.06483	2.0
197.13307	2.5
207.08075	2.5
207.13821	13.6
211.11092	1.8
211.14795	3.7
225.12718	2.4
235.07452	4.2
246.70178	1.6
249.09221	2.1
253.08850	1.9
263.45422	1.9
266.09427	1.9
281.08310	7.6
281.11978	8.6
281.17371	35.8
281.22614	11.0
285.09790	1.7
299.06152	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.3
55.01871	6.3
55.05510	34.7
57.03439	35.1
57.07069	4.8
59.09363	2.0
65.03937	4.6
65.94270	1.8
67.05507	100.0
67.46738	2.0
69.03428	3.3
69.07069	21.9
69.42967	12.9
71.04982	7.0
73.06561	3.1
76.22833	2.3
79.05493	98.2
81.03414	16.7
81.07056	73.5
83.04981	31.2
83.08618	11.9
85.06535	5.9
91.05482	78.2
93.07046	76.1
95.04969	31.1
95.08607	51.4
97.06543	7.0
97.10150	7.3
99.10748	1.8
101.36980	2.2
103.05400	2.5
105.07034	60.6
107.04961	12.0
107.08605	27.3
109.02906	3.3
109.06520	12.6
109.10171	14.3
111.08083	2.7
115.05463	3.0
117.07011	14.1
119.08581	35.4
121.06512	4.6
121.10158	7.0
123.08082	13.9
123.11719	3.0
128.06223	3.2
129.07002	24.3
130.07722	2.3
131.08572	9.8
133.06528	2.9
133.10130	19.1
135.08034	3.1
135.11685	4.6
137.06009	4.1
137.09645	2.4
141.06999	3.3
143.08562	15.7
145.06447	2.6
145.10123	16.2
147.08029	10.9
147.11688	46.6
149.02371	1.9
150.02762	2.0
154.07666	2.2
155.08565	3.2
157.10104	4.3
159.11694	4.9
161.09618	5.9
161.13246	13.6
163.11163	2.8
165.06998	5.0
165.09132	5.4
169.10175	5.5
171.11690	33.7
178.07793	3.3
181.06613	2.7
182.07301	3.1
183.11711	2.8
189.12798	12.8
193.08582	2.1
193.10138	4.0
194.07283	3.3
195.11684	2.9
197.13159	2.5
207.13774	11.4
208.47610	2.1
210.06754	6.0
211.14835	3.2
217.15884	2.0
221.05904	3.6
221.09631	2.8
223.14798	3.0
225.09094	4.2
225.16394	3.6
235.07571	4.3
237.16292	1.8
238.06215	4.9
249.05396	2.2
249.09077	3.1
250.09882	5.2
253.08601	7.0
253.18137	2.7
263.16248	4.5
266.09290	3.1
281.08450	15.6
281.11880	20.6
281.17392	43.8
281.22360	19.0
299.06094	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	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	10.0
55.01873	5.0
55.05271	2.3
55.05515	35.0
57.03439	27.5
57.07064	1.6
65.03931	5.1
67.05508	89.1
69.03450	1.8
69.07073	17.5
69.28983	1.4
69.79810	8.5
71.04992	3.9
72.08183	1.4
73.06546	3.2
79.05497	100.0
81.03423	15.4
81.07059	65.6
83.04984	36.7
83.08627	12.0
84.23735	1.5
85.02930	1.7
85.06554	4.9
91.05486	74.2
93.07051	70.1
95.04978	30.4
95.08613	41.8
97.02895	1.6
97.06540	5.9
97.10162	6.5
101.06059	1.5
101.65019	1.5
103.05447	1.6
105.04501	3.1
105.07034	48.4
107.04980	10.2
107.08597	26.9
109.06531	8.2
109.10152	10.0
111.08063	2.1
115.05440	2.4
117.07041	13.7
119.08587	33.4
121.06510	5.9
121.10127	5.6
123.08040	9.0
123.11689	2.4
127.07543	2.1
128.06230	5.0
129.07016	22.4
131.08621	5.1
133.06516	2.3
133.10121	15.5
133.40440	1.4
135.08052	3.5
135.11679	2.0
137.09630	1.9
140.28563	1.6
143.08566	12.8
145.10107	12.8
147.08049	3.8
147.10529	1.9
147.11694	37.2
157.10069	1.6
159.11732	1.8
161.09648	4.0
161.13246	17.3
163.11084	1.6
165.07137	1.6
165.09128	1.9
169.10013	2.5
171.11703	32.2
179.08582	1.7
182.07336	1.7
183.11623	1.8
189.12727	9.8
207.13828	14.4
221.05980	2.3
235.07504	2.3
249.08932	1.8
250.09889	4.9
253.08482	2.1
266.99863	2.0
281.08115	7.0
281.11685	15.9
281.17407	37.5
281.22720	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03951	11.5
55.01862	5.9
55.05511	35.6
57.03436	23.7
57.07071	4.3
59.73046	1.5
64.45082	1.6
65.03928	6.3
66.07169	1.5
67.05504	86.2
69.03418	4.4
69.07067	16.6
71.04996	4.5
71.08649	2.1
71.50846	2.4
71.63459	1.5
73.05173	1.6
73.06557	1.8
79.05494	100.0
81.03420	16.8
81.07054	79.6
83.04981	32.3
83.08609	12.4
85.06538	6.1
91.04902	3.2
91.05480	73.4
93.07043	82.4
94.07396	1.8
95.04973	28.4
95.08608	48.2
97.06531	9.3
97.10147	3.3
99.08120	2.0
102.42482	1.5
103.05473	3.4
105.04531	3.8
105.07034	54.6
107.04961	19.3
107.08595	28.7
109.06508	10.0
109.10153	11.1
111.08065	3.4
115.05453	3.2
117.07042	15.2
119.04902	2.7
119.07800	3.1
119.08585	35.8
121.06495	6.4
121.10136	7.2
123.08070	6.2
123.11709	3.3
125.05858	1.6
128.06197	4.3
129.07011	22.2
131.08545	6.3
133.06477	2.7
133.10133	15.6
135.08102	2.1
135.11691	4.4
137.05984	1.9
138.16470	1.6
141.06903	1.8
141.09059	2.4
143.08553	14.0
145.06529	2.2
145.10141	16.6
147.08083	2.9
147.11694	39.4
151.07590	2.0
155.08519	2.2
156.09399	2.2
157.10156	5.0
159.11700	4.4
161.05991	2.4
161.09650	6.1
161.13268	14.7
163.11142	2.8
165.07004	2.9
169.10074	3.2
171.11665	30.0
175.11243	1.7
178.07724	2.0
179.08546	2.9
181.04976	2.0
181.10138	2.1
183.11694	3.0
185.13315	3.1
189.12711	8.5
207.13782	12.6
209.13098	2.2
210.06624	3.3
211.11113	1.8
211.14847	3.1
221.06071	2.8
221.07909	2.7
221.09792	2.8
223.07581	1.8
223.14880	2.7
223.33566	1.5
225.12837	2.0
225.16327	5.2
235.07506	2.9
238.06325	2.0
239.14516	2.0
249.09198	3.8
250.09782	2.7
251.07028	2.0
253.08598	3.9
253.11497	1.6
266.09375	3.3
281.07898	9.5
281.12100	13.2
281.17313	28.1
281.22180	16.7
281.28094	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	281.2474
Annotation	Chaulmoogric acid
Peak:m/z	Relative Intensity
51.51516	1.7
52.61649	1.4
53.03940	2.9
55.01863	2.7
55.05513	60.1
57.03429	3.6
57.07080	25.0
57.84692	1.7
59.75280	1.6
65.03939	2.9
67.05508	55.6
69.03417	2.5
69.07071	100.0
70.07397	2.2
71.04987	6.7
71.08649	16.6
79.05494	23.0
81.07058	89.7
83.04962	6.4
83.08624	67.9
85.06524	5.8
85.10165	3.8
91.05476	29.7
93.07044	36.5
95.04968	33.6
95.08609	76.6
97.06543	9.7
97.10172	51.8
99.08070	4.1
101.05972	2.1
105.07035	33.2
107.07873	2.5
107.08591	30.9
109.06528	8.6
109.10165	40.3
111.08055	5.9
111.11729	28.2
113.09616	3.0
117.07018	3.6
119.08575	32.7
119.88125	1.7
121.06487	7.4
121.10139	26.5
123.08051	6.0
123.11710	15.9
125.09606	5.2
125.13276	8.9
127.07629	2.5
129.07010	3.4
129.09102	2.0
131.08577	14.8
133.06512	2.4
133.10143	36.8
135.08069	20.9
135.11679	18.9
137.05995	8.4
137.09587	6.1
137.13251	8.3
139.11162	3.6
139.14778	2.0
141.09106	2.2
142.07771	1.9
143.08562	4.7
144.09296	2.2
145.10120	6.2
147.11687	23.5
149.09630	2.2
149.13263	13.8
151.02852	2.1
151.11180	7.8
151.14803	6.9
153.12686	4.7
155.08551	3.1
156.09322	3.0
157.10097	5.2
158.10835	5.5
159.07993	2.6
159.11743	2.4
161.09676	4.0
161.13231	19.4
163.14825	9.7
165.12791	10.1
165.16380	5.0
167.14337	4.3
169.10158	4.2
171.11720	2.2
173.09666	2.3
173.13280	12.2
175.14853	11.2
177.73756	1.7
179.08640	1.8
179.14362	8.6
179.18013	2.0
181.10101	3.0
181.15895	3.5
182.10945	3.3
183.11662	4.9
189.16354	10.4
191.08717	2.3
192.09343	2.9
193.10104	3.9
193.15878	4.7
195.07980	1.9
195.11668	4.2
197.13249	5.3
199.11102	1.9
203.17937	2.4
207.11678	4.9
207.17422	4.3
208.12514	1.9
209.13351	2.3
211.11160	2.5
211.14786	2.4
213.12727	2.0
218.10902	1.6
219.21085	3.9
221.13307	4.1
221.22635	12.3
222.14034	1.8
223.14760	3.7
225.12724	6.9
225.16386	2.4
245.22672	41.4
246.22952	1.9
248.15530	2.9
250.09686	2.0
251.14200	5.4
263.18100	9.4
263.20996	2.6
263.23688	23.4
264.24020	2.2
266.09302	2.1
281.12057	8.6
281.18958	77.2
281.22064	5.1
283.02844	1.7
299.06259	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	281.2476
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
53.03937	3.4
55.01862	2.3
55.05514	63.7
57.03430	5.8
57.07085	33.0
67.05512	53.5
67.05881	2.8
69.07074	100.0
71.04998	5.4
71.08636	16.3
71.51601	2.1
73.06564	2.7
75.25389	1.9
79.05495	24.2
81.07064	86.2
83.04973	7.1
83.08624	71.8
85.06548	5.8
85.10183	7.4
86.09716	3.8
91.05487	26.2
93.07044	37.0
95.04995	2.3
95.08614	73.6
96.42323	1.9
97.06538	13.7
97.10180	65.7
99.08105	3.7
105.07034	28.0
105.71195	2.0
107.08598	28.3
109.06514	2.3
109.10165	44.6
111.08085	7.2
111.11739	30.2
113.09639	2.2
119.08596	30.0
121.10150	21.4
121.77822	1.9
123.08102	5.8
123.11712	19.3
125.00004	4.5
125.09612	4.8
125.13261	10.2
127.07570	3.0
129.09131	3.2
129.52458	3.2
133.10144	32.4
135.11734	15.1
137.09621	6.8
137.13254	4.8
138.53011	4.4
139.11154	4.1
141.12846	3.0
143.10712	1.9
147.11713	19.6
149.13251	16.6
151.02725	1.8
151.11209	10.3
151.14822	4.4
153.12733	3.0
157.53877	2.3
161.13254	18.2
161.82213	2.3
163.14804	11.6
165.12828	10.0
165.16431	5.0
167.14371	5.7
175.14868	14.2
177.16364	2.2
179.14325	6.6
179.17944	5.7
183.11615	2.4
189.16347	10.1
193.15945	8.1
201.28116	2.1
203.17966	4.1
205.19664	2.4
207.17413	3.5
212.58055	1.8
219.21097	6.3
221.22672	10.2
240.10031	2.9
245.22682	44.1
263.23718	33.4
266.99957	2.4
276.97794	2.0
281.21219	4.4
282.27954	3.1
299.06125	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2478
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.13126	2.2
53.03928	3.0
55.05513	73.3
57.07081	24.8
67.05509	61.9
69.07076	100.0
70.57000	7.9
71.04977	5.2
71.08630	8.7
79.05500	24.0
81.06594	4.6
81.07061	89.1
82.07410	2.9
83.04990	4.5
83.08150	5.0
83.08621	66.2
85.06537	6.7
85.10186	3.4
91.05486	20.2
93.07057	36.5
95.08617	73.4
97.06525	12.6
97.10174	52.4
99.08108	7.5
105.07037	20.3
107.08595	23.0
109.06492	4.1
109.10158	39.5
110.09102	2.3
111.08062	11.6
111.11714	19.8
119.08591	24.6
121.10137	27.9
123.08055	5.4
123.11741	15.3
125.09611	6.3
125.13299	3.9
132.73796	3.0
133.10158	24.5
135.11693	20.7
137.09625	7.0
137.13289	6.1
139.11211	6.0
147.11702	19.2
149.13309	17.2
151.11205	8.0
153.12817	2.9
161.13257	10.9
163.14828	10.5
165.12747	6.2
167.14342	3.2
175.14806	8.5
177.16307	3.2
179.14331	4.8
189.16397	6.4
193.15860	3.9
202.25024	2.7
207.17503	4.3
221.22539	3.0
245.22705	27.8
263.23749	23.2
266.99954	4.3
281.18933	8.7
281.24933	19.3
281.29431	6.3
282.27692	3.7
299.06357	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	282.1199
Annotation	N6-Methyladenosine
Peak:m/z	Relative Intensity
55.01853	0.5
56.05033	0.4
57.03439	1.5
57.04542	0.3
60.04508	0.3
61.02917	0.3
67.02406	0.3
69.03413	0.9
69.23411	0.3
70.06589	1.3
70.34402	0.9
71.01360	0.4
72.08154	0.9
73.02908	0.6
84.08137	1.5
85.02927	1.3
86.09710	0.4
91.05460	0.5
94.04057	1.2
97.02888	0.5
98.97597	0.6
103.07581	0.3
107.04978	0.3
109.06209	0.3
120.04478	0.6
120.08084	1.6
121.08461	1.5
123.06677	1.0
129.10245	0.6
133.04991	0.4
134.09633	0.5
136.06218	3.2
137.06638	0.5
138.58894	0.3
150.07759	100.0
151.08116	0.6
162.04106	0.5
163.04497	0.5
167.09087	0.6
185.10378	0.3
282.11990	9.9
282.14404	0.4
282.22217	1.0
300.06201	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46828	0.2
53.03937	0.2
53.49417	0.2
55.01863	0.6
58.72416	0.2
61.02930	1.7
65.03938	1.9
67.05515	0.3
69.03084	0.4
69.03432	3.9
69.07065	0.3
70.53099	0.7
79.05488	0.4
81.03427	0.5
81.07048	0.7
84.00061	0.2
84.08128	0.2
85.02908	0.7
89.05990	0.3
91.05473	0.4
93.07048	0.3
95.04967	1.1
95.08616	0.4
97.02896	1.0
99.04454	0.3
105.07027	0.6
107.04977	0.4
107.08623	0.6
109.02873	0.6
111.04446	1.1
111.08084	0.3
121.02876	100.0
121.10168	0.3
122.03210	0.5
127.03931	2.5
131.04974	0.6
133.10213	0.3
137.06017	0.3
139.03883	1.4
145.10161	0.3
149.06017	0.4
152.06169	0.4
159.11699	0.4
161.05998	0.3
165.07069	0.7
167.08640	0.7
169.10027	0.3
177.06984	0.3
194.07373	0.3
195.08057	1.4
197.06030	0.8
199.07545	0.2
209.06046	0.3
212.08369	0.4
221.06024	0.5
222.06769	0.3
223.07587	1.0
225.05563	0.8
236.04791	0.3
236.13210	0.3
237.09085	0.2
240.07800	1.9
251.06989	1.3
251.09222	0.3
253.04953	0.3
254.09572	0.3
255.10217	1.0
258.93475	0.2
265.06943	0.4
268.07257	1.2
283.09912	5.2
283.17224	0.2
283.20526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0964
Annotation	Agrostophyllin
Peak:m/z	Relative Intensity
55.05501	0.8
64.26011	0.4
67.05482	0.7
69.07044	0.9
71.51097	0.4
71.51478	0.6
79.05480	0.5
81.07024	1.0
82.09583	0.4
89.06020	0.9
91.05482	0.5
93.07011	0.9
95.04958	0.5
95.08576	0.8
97.06537	0.4
105.07014	1.0
107.04954	3.0
107.08580	0.9
119.08554	0.5
121.02860	1.6
135.11670	0.5
141.07018	0.4
145.10147	0.5
153.06995	2.5
154.07777	2.8
164.06183	0.5
165.06998	1.9
166.07748	1.0
167.08513	0.5
168.05730	0.7
169.06410	0.7
169.98109	0.5
177.06982	1.3
178.07761	1.9
179.08549	2.5
181.06490	7.3
181.10039	0.5
182.07292	3.0
192.05679	3.6
194.07285	1.9
195.08069	2.0
197.05963	4.5
205.06541	0.9
207.04854	0.4
207.08080	7.5
209.06033	1.4
209.09605	2.2
210.06824	5.0
211.07568	1.0
212.08278	1.0
220.05304	1.3
221.05981	1.5
222.06656	0.9
223.07515	2.1
223.14964	0.5
224.08315	0.4
225.05476	4.2
235.07590	8.4
237.05336	1.2
237.09148	2.1
238.06250	57.2
239.06773	1.2
240.07808	8.9
241.08488	0.6
251.07071	2.3
252.07863	1.0
253.08604	17.5
254.09120	0.5
255.10175	2.2
265.08511	0.7
268.07306	15.0
283.09653	100.0
284.09897	1.9
300.97406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
54.46547	1.2
55.01864	5.7
55.05515	14.1
57.03442	14.2
57.07084	9.2
58.53710	1.3
67.05512	21.7
69.03434	2.1
69.07067	13.8
71.04974	2.9
71.08616	2.8
71.38330	1.3
71.51203	2.6
71.51614	1.6
78.07326	1.4
79.05495	31.1
81.03430	3.3
81.07059	24.6
83.04978	6.1
83.08629	10.7
85.10211	2.8
89.06032	8.1
91.05483	15.6
93.07052	42.1
95.04954	8.1
95.07175	1.2
95.08619	42.5
97.02903	4.4
97.06535	7.0
97.10172	2.6
99.04447	3.8
103.05495	2.0
105.07047	12.5
107.04967	11.1
107.08606	32.1
109.06535	2.6
109.10168	4.3
111.08115	1.6
117.07024	10.9
119.08579	11.8
121.06513	6.5
121.10152	20.2
125.06036	4.1
129.07027	2.5
130.07791	2.8
131.08589	3.3
133.08601	4.6
133.10126	4.2
134.09650	1.9
135.08151	1.6
135.10704	2.8
135.11705	49.9
139.07526	2.9
142.07777	1.7
143.08507	4.4
145.10141	29.7
154.94238	2.7
155.08481	1.6
157.10152	4.4
163.11186	71.0
171.11652	3.0
172.95308	1.8
173.09659	2.0
181.10156	2.4
181.12247	17.8
183.11761	2.1
185.13261	1.9
190.99870	1.4
192.30434	1.6
195.11795	2.2
197.13239	1.4
199.14865	1.5
209.11566	1.7
209.13382	2.5
223.14848	1.6
225.16277	2.2
227.12796	100.0
228.97855	2.3
244.29123	1.5
246.98930	2.4
262.12106	1.9
265.19424	3.4
280.88660	1.5
283.09991	2.1
283.15408	17.8
283.20581	17.7
283.24130	5.3
299.99771	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2421
Annotation	Aikupikanyne B
Peak:m/z	Relative Intensity
53.03936	0.7
55.05512	5.9
57.07061	2.7
57.07330	0.6
67.05513	7.8
69.07074	6.7
71.08618	1.3
73.02924	0.6
79.05494	7.2
81.06597	1.2
81.07063	23.4
82.65366	0.6
83.08618	4.8
89.06030	3.3
91.05475	7.7
93.06490	1.2
93.07047	15.3
95.04984	0.7
95.08616	17.3
97.10161	2.4
98.21565	0.8
103.05453	0.7
105.07035	16.0
107.08599	15.1
109.10163	9.8
113.47195	0.6
115.05428	1.0
117.07013	4.3
119.08590	19.7
121.09336	1.0
121.10152	12.2
123.11723	6.1
128.06252	1.2
129.07021	3.0
130.07797	1.6
131.08580	13.2
133.10147	10.8
135.11710	6.6
137.13271	0.9
141.07008	0.8
142.07765	2.0
143.08568	9.0
144.09348	1.7
145.10129	16.6
147.11687	8.4
149.13271	3.7
155.08531	0.8
156.09366	1.9
157.10143	12.9
158.10887	0.9
159.11705	26.2
161.13275	9.6
163.14868	3.0
169.10181	0.9
171.11696	11.4
172.12422	0.7
173.13268	17.1
173.66895	0.6
175.14861	7.1
177.16437	1.0
183.11710	1.8
185.13268	8.0
187.14827	11.1
189.16383	3.0
197.13263	1.0
199.14832	9.5
201.16441	5.0
203.16016	0.6
203.17920	1.1
211.14856	1.7
212.15602	1.0
213.16402	15.5
214.17020	0.8
215.17953	1.1
225.16364	1.7
227.17961	16.7
232.33540	0.6
241.19519	5.5
255.21126	1.6
283.24213	100.0
284.24518	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.1
55.01863	8.2
55.05519	3.0
57.03435	5.1
60.04538	2.5
61.02919	7.7
68.99789	3.9
69.03435	43.3
69.07104	2.5
71.04985	5.0
71.51028	3.2
73.02920	11.9
76.61800	2.3
81.03421	34.1
81.07075	3.5
85.02909	100.0
87.00833	43.8
91.03970	3.1
97.02899	65.9
99.04459	17.4
100.01391	2.3
105.01192	5.0
105.01874	59.0
105.07021	2.8
107.04946	2.8
108.04481	6.8
109.02882	34.5
117.01881	5.9
121.02917	3.6
121.10157	2.8
126.05538	4.9
127.03931	91.4
129.01872	4.1
145.04968	67.1
159.02917	29.5
165.06949	3.6
177.04041	3.2
181.06581	2.6
193.06508	3.8
210.06755	3.6
213.03934	3.5
225.09114	5.9
231.04987	21.2
249.06036	4.3
253.08601	11.8
269.07993	5.2
284.09998	16.8
284.20877	3.0
284.29523	6.9
285.08026	2.5
285.11185	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	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.04027	0.2
52.86938	0.2
53.03991	0.2
55.01878	0.4
56.96566	4.4
57.03428	0.6
61.02919	0.6
69.03432	1.4
70.06599	1.6
70.14507	0.7
70.14856	0.3
73.02909	0.9
79.49757	0.2
81.03407	0.6
84.08133	0.5
85.02915	2.3
86.09673	0.5
87.04483	0.3
96.08173	0.2
97.02906	1.2
98.97597	2.5
101.00871	1.0
109.02853	0.3
109.05145	0.3
110.03546	2.8
110.07180	0.6
110.97573	0.4
113.00852	0.3
116.98631	0.9
119.01935	0.6
126.02254	0.4
127.03888	0.5
128.01411	0.2
128.04553	0.9
131.01889	0.4
134.04619	0.3
135.03029	7.5
136.06190	1.1
139.22037	0.2
141.10254	0.4
142.05426	0.5
143.00153	0.3
143.01897	0.5
145.03438	0.3
152.05682	100.0
153.04080	4.8
153.05986	0.5
155.01964	0.5
158.04848	0.4
160.06436	0.5
161.02921	0.6
169.09663	0.3
173.03004	0.4
185.02815	0.6
188.05960	0.4
189.00691	0.3
189.04335	0.6
190.04820	0.3
203.04010	0.7
206.07004	1.7
208.06468	0.3
219.01868	0.5
221.05098	0.7
224.08040	1.5
226.07584	0.4
235.04536	0.7
243.01820	0.3
245.04971	0.3
251.61870	0.2
253.05843	0.3
261.00049	0.5
261.03070	2.0
279.00568	0.4
284.10095	0.3
294.63742	0.2
301.80344	0.2
302.58981	0.5
309.59235	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.076
Annotation	Denbinobin
Peak:m/z	Relative Intensity
55.01868	0.8
59.67326	0.4
68.99786	1.1
69.03445	0.6
69.07052	0.7
71.50999	0.5
77.58962	0.4
78.78159	0.4
79.05493	1.2
81.07050	1.5
83.04987	0.7
83.08631	0.5
91.05488	1.6
93.07050	1.2
95.04954	0.6
95.08596	0.8
96.98859	0.4
97.02902	1.1
103.05477	0.4
105.07050	1.7
107.04966	2.0
107.08622	0.9
109.06541	0.5
109.10136	0.5
115.05465	1.6
117.07021	1.2
119.08599	1.0
121.06503	0.6
121.10159	0.8
128.06238	1.1
129.07013	0.4
131.04979	0.9
131.08577	0.8
133.06496	0.6
133.10106	0.7
135.08023	0.6
136.14336	0.4
141.06992	1.6
143.08574	0.6
145.02910	1.0
145.06476	1.1
146.03645	1.0
147.11678	0.4
152.06186	0.8
152.78789	0.4
153.07021	0.7
155.04926	0.9
155.06059	0.7
157.06490	0.5
157.10149	1.0
158.03658	0.9
158.07259	0.6
159.11700	0.9
161.06001	3.1
162.03134	1.2
165.07037	3.2
168.05707	1.1
169.06497	2.0
169.10231	0.4
170.07303	0.7
171.04282	0.7
171.05540	1.2
171.08145	0.5
171.11760	0.6
173.05998	4.5
174.06831	1.1
177.05492	1.7
179.08574	0.7
181.06485	2.2
182.07286	1.9
183.04430	1.0
183.08096	0.6
184.05214	1.4
185.05989	0.7
186.03230	0.6
186.06725	0.5
187.07570	1.5
189.09122	0.6
191.07050	10.7
193.06502	2.5
194.07256	0.5
196.05138	2.2
197.06003	7.8
198.06781	3.9
199.03888	3.6
199.07474	0.9
199.14824	0.5
201.05486	50.1
210.03242	0.6
210.06686	2.5
211.07524	2.3
212.04669	2.5
212.08347	0.9
213.05505	2.8
213.09091	0.4
214.06299	2.6
221.05939	3.3
223.07584	0.6
224.04796	1.3
224.08315	0.7
225.05528	5.0
225.09050	6.3
225.16467	0.6
226.06242	1.8
227.01141	0.8
227.03410	15.5
227.06844	3.0
227.10666	0.8
229.08617	0.6
235.07767	0.5
237.05492	0.6
238.02618	0.7
238.06270	1.2
239.07092	1.7
240.07878	1.4
242.05763	36.3
243.06314	0.6
253.04941	3.1
253.08621	11.7
254.05644	0.6
255.06461	0.5
256.07385	0.7
257.08099	33.1
258.08365	0.7
267.06491	0.9
267.10306	0.6
269.04437	0.7
270.05319	3.0
270.08890	1.1
285.07629	100.0
285.11163	11.1
285.18130	2.1
285.22156	2.0
286.08014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0759
Annotation	Stevenin
Peak:m/z	Relative Intensity
57.36150	0.4
61.95782	0.4
68.90147	0.4
71.02638	1.0
79.05454	0.5
81.07013	0.7
91.05405	0.5
92.31059	0.4
93.07005	0.6
95.08518	0.8
97.02901	4.9
105.06955	0.8
105.28828	0.5
107.04900	1.5
115.05397	0.6
119.04941	0.5
119.08536	0.5
131.04816	0.5
141.06966	0.7
146.03546	0.5
147.11711	0.5
161.05974	2.0
165.07002	3.4
167.08464	0.5
168.05626	0.7
169.06425	1.2
169.10117	0.5
169.11462	0.4
171.04362	1.6
171.07930	0.5
181.06476	1.4
182.03616	0.5
182.07227	1.5
183.11626	0.4
193.06503	2.3
197.05978	0.6
199.03908	14.1
201.05453	0.6
210.03175	2.0
210.06732	2.5
211.03908	1.9
211.07353	0.7
212.04829	0.5
213.05428	0.7
214.06281	1.2
221.05962	2.6
224.04610	0.5
225.05649	0.5
225.09138	5.0
226.06226	2.7
227.03407	38.0
231.10353	0.4
238.06253	1.0
242.05748	100.0
243.06116	1.4
253.08615	9.4
254.09375	1.0
257.08105	32.6
258.08276	0.5
267.10059	0.5
270.08768	0.6
285.07629	53.4
285.11160	8.0
285.22165	1.2
285.25656	0.5
286.07996	1.0
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	Isobatatasin I
Peak:m/z	Relative Intensity
55.01869	0.3
55.83311	0.3
57.03438	0.3
70.80112	0.9
81.07053	0.5
93.07093	0.3
97.02886	0.6
98.55794	0.2
105.07011	0.4
115.05450	0.3
123.04427	0.3
139.05417	0.2
141.07007	1.2
142.07738	0.4
152.06224	1.0
153.07013	3.0
160.05273	0.3
161.05981	0.8
165.05597	0.6
165.07008	13.1
166.07793	18.9
167.08566	5.4
169.06505	0.9
176.06232	0.7
177.07002	2.0
178.07793	2.4
179.08572	4.7
180.09244	0.7
181.06552	2.6
181.10132	9.5
182.07262	0.5
183.08067	0.8
184.08881	0.6
185.05931	0.3
189.06969	0.8
190.07771	1.3
191.08557	2.9
193.06474	1.6
194.07291	12.7
195.08046	2.5
196.08844	2.6
197.05965	3.2
197.09610	0.3
199.07504	0.6
205.06482	1.1
206.07188	0.7
207.08087	1.7
208.08786	1.8
209.06131	1.2
209.09625	27.4
210.06804	0.9
210.10017	0.4
211.07591	2.6
211.11156	1.2
212.04753	0.4
212.08321	3.1
213.05432	0.3
221.05969	1.3
222.06767	3.4
223.07515	2.7
224.08344	3.2
225.05426	1.1
225.09081	2.2
226.09837	0.7
227.07045	3.2
235.07532	0.4
236.08392	0.3
237.05678	1.9
237.09113	26.4
238.06281	0.5
238.09485	0.3
239.07118	1.4
239.10648	5.0
240.07826	13.4
241.08514	0.9
242.09398	2.1
252.07794	0.6
253.08618	3.0
254.09380	1.5
255.06566	1.0
255.10107	3.0
257.11722	0.8
266.75726	0.3
267.10260	2.0
269.07928	0.4
270.08881	5.3
285.11221	100.0
286.11661	0.8
308.75864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1124
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
50.52818	0.3
55.05523	0.5
55.25538	0.3
56.96548	0.3
57.66965	0.3
60.04517	0.4
67.05515	0.7
69.07066	0.7
71.11903	0.5
71.12244	0.5
71.88156	0.3
73.37372	0.3
77.17923	0.3
81.07069	1.0
91.05491	0.5
93.07075	0.8
95.04948	0.4
95.08621	0.8
97.02897	0.7
105.07038	1.0
107.08611	0.6
109.10149	0.5
119.08591	0.8
121.10174	0.7
123.11710	0.3
135.11708	0.6
145.10204	0.5
147.11737	0.4
153.06989	0.8
159.11725	0.3
161.06024	1.0
165.07051	3.0
167.08565	0.4
168.05663	0.5
169.06458	0.4
171.08174	0.4
171.11656	0.4
179.08447	0.4
181.06477	3.1
182.07251	2.1
183.08075	0.7
184.05278	0.7
193.06505	1.4
194.07372	1.3
195.04456	0.6
195.08049	1.0
196.05251	0.9
197.05957	0.7
198.06816	0.3
199.07549	5.8
205.06668	0.4
209.06006	0.7
210.06790	5.4
211.07556	10.9
212.04771	2.0
213.05440	0.4
221.05998	1.9
222.06770	2.3
223.03914	1.6
223.07532	0.7
224.04608	0.3
224.08376	0.7
225.05585	0.5
225.09100	5.9
226.09651	0.4
227.07037	27.6
228.07393	0.5
229.05116	0.3
237.05486	0.4
238.06267	6.5
239.07043	12.3
240.07767	1.0
241.08559	1.2
242.05707	1.0
242.09344	1.5
253.08607	4.9
254.09401	33.9
255.06532	17.3
255.09311	0.6
257.08072	1.1
267.21185	0.3
269.08228	0.7
270.08884	43.4
271.09332	0.4
285.11215	100.0
286.11551	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1123
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
55.05505	0.9
56.96585	0.5
57.03447	0.8
63.00059	0.7
65.03954	0.6
67.05530	1.9
69.07090	0.8
71.05015	0.7
71.51185	0.9
79.05521	1.5
81.03440	1.2
81.07084	2.4
84.71063	0.5
91.05510	2.1
93.07076	1.9
95.04998	0.8
95.08628	1.8
97.02905	3.9
98.98449	0.8
105.07071	2.0
107.05003	0.7
107.08630	2.1
109.06543	1.0
109.10162	0.9
117.07047	0.7
119.04970	0.5
119.08614	2.1
119.46452	0.5
121.10174	0.8
129.06949	0.7
131.08621	1.3
133.10179	1.3
141.07005	1.4
143.08597	0.7
145.10149	1.5
147.11728	1.4
152.06212	8.2
153.07019	1.9
154.07800	2.2
157.10159	1.2
159.11720	1.0
161.06021	2.1
165.07021	22.2
166.07816	4.8
167.08569	10.6
167.09879	0.8
169.06461	0.9
169.10225	1.0
178.07793	1.3
179.08586	2.0
180.05675	1.4
181.06509	2.8
182.07280	10.8
183.11769	1.0
183.77823	0.5
192.05719	1.5
193.06499	9.7
193.12341	0.9
194.07288	15.6
195.08047	1.5
197.09561	3.3
197.13350	0.8
199.07578	0.7
201.16423	0.6
207.08167	0.6
209.06046	1.4
210.06776	13.0
211.07527	2.5
221.05980	1.8
224.08388	0.8
225.09116	33.4
227.07077	3.0
237.05600	1.0
238.06143	0.6
239.07056	1.9
241.08733	0.6
242.09282	0.9
253.08614	100.0
254.09338	2.9
255.06560	2.1
257.08014	1.0
270.05731	0.8
270.08856	6.0
284.29492	1.0
285.07687	3.7
285.11206	41.4
285.18311	1.6
285.22116	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1122
Annotation	Isobatatasin I
Peak:m/z	Relative Intensity
55.01869	0.5
56.67138	0.4
62.95760	0.5
64.43949	0.5
69.03399	0.9
69.07038	0.6
71.34877	0.8
79.05510	0.5
81.07042	1.6
91.05462	0.6
93.07044	1.1
104.25274	0.4
105.07019	1.3
107.08570	1.1
119.08590	0.6
121.27053	0.5
131.08533	0.7
141.07013	0.9
145.10144	1.0
146.03665	0.9
152.06200	1.1
153.06981	2.4
155.08534	0.5
157.10110	0.6
159.11688	0.9
161.06015	2.5
165.05612	0.8
165.07008	11.1
166.06396	0.7
166.07797	12.3
167.08565	3.8
168.05791	0.8
168.09358	0.6
169.06487	0.6
171.08072	0.9
171.11575	0.5
177.06989	1.8
178.07814	2.2
179.08559	4.7
180.09293	0.6
181.06485	2.4
181.10135	6.5
182.07248	1.5
183.08041	1.5
185.06007	0.5
189.06880	0.4
190.07750	0.8
191.08583	2.0
193.06519	2.7
194.07272	8.7
195.08037	2.6
196.08832	2.3
197.05981	2.0
197.09671	0.8
198.06641	0.7
199.07547	2.4
205.06538	0.6
206.07127	0.8
207.08060	2.7
208.08820	1.9
209.05991	1.9
209.09625	16.3
210.06819	3.0
211.07539	5.9
211.11110	1.1
212.08374	2.6
214.06203	1.3
214.09912	0.9
215.10770	0.6
221.05943	2.9
222.06764	1.7
223.07512	2.3
224.08278	4.6
225.05655	0.7
225.09122	7.7
226.09859	6.5
227.03406	1.4
227.07021	8.3
227.10548	0.5
229.12166	1.3
235.07510	0.7
237.05531	0.9
237.09113	17.1
238.06224	1.4
238.09688	0.6
239.06985	1.4
239.10677	8.1
240.07831	8.2
241.08589	1.5
242.05679	1.9
242.09351	10.1
251.07040	0.9
252.07626	2.4
253.08614	10.5
254.09331	3.7
255.06573	1.5
255.10130	2.1
257.08093	2.1
257.11734	14.8
258.11963	0.6
266.09198	0.5
267.10089	7.0
268.10620	0.6
269.04486	1.9
269.08102	3.7
270.05316	2.2
270.08789	7.6
284.10132	0.8
285.07724	7.2
285.11176	100.0
285.21686	2.6
286.11432	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91466	1.5
55.01857	4.0
55.05505	2.7
57.03422	5.5
63.00074	2.4
65.03925	1.7
68.99776	1.9
70.06609	8.7
70.90312	3.6
72.08135	2.8
79.05490	6.8
81.03413	2.3
84.08141	1.8
86.09715	3.3
87.71591	1.5
90.43252	1.5
91.05480	18.9
93.07033	2.7
95.04970	3.7
97.06531	1.7
100.11250	4.7
103.05472	4.8
105.03384	4.8
105.07047	21.6
106.04201	3.2
107.04946	10.6
108.05716	2.0
108.36900	1.6
109.02839	2.5
109.06512	6.8
110.07115	1.7
114.25123	1.7
115.05446	4.3
117.03438	1.5
118.04072	1.7
119.04955	22.1
121.06525	11.1
123.08054	2.8
125.02310	2.0
125.05962	4.6
131.04912	2.9
133.06508	16.9
134.03604	2.6
135.04411	7.3
136.05176	5.9
137.06047	3.8
140.04721	9.9
144.08069	2.1
146.03595	2.1
147.04395	8.0
149.05986	14.0
150.06772	1.9
151.07559	13.5
153.05472	100.0
161.05994	33.0
165.05464	2.6
165.06984	4.7
167.07043	17.1
168.07831	85.9
170.05971	3.0
172.34630	1.4
177.05478	3.3
179.06993	9.3
179.08351	2.0
181.08569	4.3
182.07324	2.3
182.09259	1.9
193.06606	3.1
193.08591	30.8
196.07317	68.8
208.07407	1.7
209.08080	6.2
210.06734	4.2
211.07623	3.9
211.09654	62.3
221.05940	3.2
222.96928	2.2
225.09128	8.1
253.08607	11.5
285.04163	1.7
285.07547	5.2
285.11206	10.4
285.24170	2.6
286.08267	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	286.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.5
57.07075	14.5
57.93551	5.1
59.35036	2.4
61.02928	2.7
62.06060	4.6
64.66019	2.2
67.05516	30.8
68.05828	2.4
69.07059	9.4
70.06580	2.1
71.08642	4.8
71.51244	4.1
72.08155	13.7
79.05499	13.3
81.07066	31.8
82.07394	3.6
83.08618	3.6
86.06085	7.7
90.09197	12.6
90.63177	2.2
91.05473	8.1
93.07036	14.0
95.08044	4.4
95.08609	33.7
96.08926	3.3
97.02892	4.4
102.96902	3.8
104.94830	3.1
104.98485	4.5
105.07026	4.1
107.08591	10.2
109.10143	10.0
116.96466	2.6
116.98477	5.4
119.08589	2.9
121.10156	6.9
130.96439	2.8
132.97926	2.7
134.95889	3.0
135.11717	5.8
145.10164	2.6
146.10483	2.2
146.97424	2.6
147.11690	2.5
148.97444	4.3
159.11684	2.5
160.97447	8.0
164.98436	4.6
166.98502	10.3
170.95595	2.5
173.13266	2.4
176.96977	4.6
178.98491	4.6
200.96866	5.3
208.99539	5.2
218.97919	2.6
236.99106	3.4
256.26276	3.1
261.22137	2.9
271.27454	2.4
286.07901	2.6
286.11557	2.4
286.22540	3.1
286.27579	9.2
286.31027	100.0
287.05557	16.1
299.03937	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1764
Annotation	Leu-Gly-Pro
Peak:m/z	Relative Intensity
53.03955	1.0
55.01863	0.9
55.05507	1.1
56.05028	1.3
60.04528	0.8
60.25766	0.6
61.02915	1.0
67.05476	0.6
68.99782	1.1
69.03439	3.3
69.07058	3.5
69.77489	3.7
70.06596	52.8
71.05016	1.0
71.08623	2.2
72.08137	3.0
75.05602	0.7
79.05478	0.8
81.03420	3.6
81.07018	0.7
83.76033	0.7
84.04507	4.3
84.08150	6.3
85.02902	2.1
86.09711	45.5
91.05492	0.9
96.04414	0.7
96.08132	1.4
97.02891	5.4
97.06538	2.0
98.97593	1.8
99.04453	1.1
100.11269	0.8
103.03970	1.3
103.05511	1.0
105.07043	0.8
107.04961	1.9
108.70164	0.7
109.02863	4.0
110.02375	0.8
110.06033	0.8
111.00826	1.0
114.09176	2.5
116.07097	100.0
117.07506	0.8
121.02890	4.1
122.06059	3.4
124.07589	0.9
127.03916	4.2
127.08691	1.0
129.10295	3.5
130.06529	2.1
132.08118	1.0
136.07558	1.6
137.02356	1.0
142.08650	8.7
142.12268	0.8
143.01353	0.8
143.11807	29.7
144.08067	0.8
147.04425	1.8
148.57440	0.7
153.01843	5.4
155.08205	1.0
159.09210	1.1
160.04871	0.6
165.01857	2.2
166.07439	0.9
167.07060	0.7
171.11334	4.0
171.37021	0.6
173.01208	0.8
180.10121	1.1
183.02979	0.6
201.05495	1.1
208.09727	7.8
213.05560	1.8
220.09686	0.8
222.06253	1.2
226.09401	1.3
241.04932	0.9
250.10822	1.5
254.09026	1.7
258.05167	1.2
258.16000	0.7
259.06058	0.8
268.11832	1.0
268.65845	0.7
286.04752	0.6
286.08170	1.6
286.12662	2.5
287.05511	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.05515	3.0
56.05042	7.5
57.03440	0.4
57.06797	0.7
57.07079	13.0
58.06601	1.6
60.04529	8.8
62.06083	1.6
67.05232	0.3
67.05517	3.3
69.07076	3.9
69.43768	2.8
70.06591	2.8
70.75109	0.4
70.75552	0.3
71.08634	6.9
72.07756	0.8
72.08158	17.0
79.05495	1.4
81.07059	3.8
82.06588	0.7
83.04990	0.9
83.08609	2.1
85.10181	1.9
85.76003	0.4
86.06073	2.0
86.09717	0.5
87.04471	0.8
88.07633	1.8
90.09199	12.7
91.05502	0.8
93.07055	1.1
94.06540	0.4
95.08612	3.6
97.06535	0.4
97.10175	1.2
97.79099	0.4
98.98428	0.3
99.02929	0.4
99.06831	0.4
100.07674	0.5
100.43225	0.4
103.34632	0.4
107.08612	0.7
109.10167	1.5
120.04397	0.3
121.02877	0.4
121.10160	0.6
123.11738	0.5
135.11665	0.5
153.01938	0.7
174.18539	1.4
212.23781	0.5
226.25365	1.5
228.25909	0.4
230.24802	6.0
233.22670	0.4
238.25356	1.2
240.26842	3.8
242.28519	0.7
250.25322	1.4
251.23799	0.6
254.09018	0.5
255.10172	0.6
256.26385	13.5
259.09613	0.9
259.56046	0.4
268.26370	11.9
286.11777	1.0
286.27472	40.4
286.31070	100.0
287.05548	5.6
287.08936	0.8
287.12326	0.5
287.28195	0.5
287.31311	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3106
Annotation	ES-285
Peak:m/z	Relative Intensity
53.46732	0.2
55.05499	0.6
56.05035	0.4
57.07077	8.8
58.06605	1.3
60.04530	2.6
61.23495	0.2
62.05795	0.3
62.06091	3.5
67.05504	0.4
69.07053	0.6
71.08637	5.4
71.11924	0.4
72.08159	1.7
73.02920	0.2
74.06094	0.3
75.66698	0.2
77.10806	0.2
78.14947	0.3
79.05489	0.3
81.03416	0.2
81.07056	0.4
83.08601	0.3
84.59390	0.2
87.04482	0.9
91.05460	0.8
93.07031	0.3
107.08624	0.3
109.02851	0.5
113.76466	0.2
127.03910	0.6
153.01886	0.3
156.17491	4.1
161.06018	0.3
170.19052	0.5
172.16969	0.6
174.18544	12.1
213.38618	0.2
226.25362	0.5
242.28467	0.5
254.08997	0.6
255.09962	0.2
259.09833	0.2
268.26474	1.3
268.29700	1.0
271.09290	0.3
286.11621	1.0
286.31042	100.0
287.05484	2.5
287.08643	0.3
287.31485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Fisetin
Peak:m/z	Relative Intensity
53.03933	0.4
53.21812	0.1
55.01865	0.2
55.05519	1.0
57.03421	0.7
57.07072	0.4
59.04956	0.2
63.02335	0.2
65.03615	0.2
65.03924	0.3
65.82204	0.2
67.01855	0.6
67.05506	1.2
68.99789	2.4
69.00517	0.1
69.03428	0.6
69.07072	1.7
71.04992	0.5
79.05500	1.6
81.03423	0.6
81.07055	2.6
83.04967	0.3
83.08620	1.2
85.02921	0.2
85.06518	0.3
85.52389	0.2
91.05478	1.3
93.07047	2.2
94.47908	0.2
95.04956	0.7
95.08595	1.4
97.06519	0.5
97.10154	0.4
98.20798	0.6
98.21496	0.4
103.05507	0.5
105.03378	0.9
105.04505	0.3
105.07026	1.9
107.04956	1.4
107.08594	1.7
109.02870	1.0
109.06498	0.2
109.10170	1.2
111.00822	1.7
111.04435	0.4
111.08068	0.3
115.05469	0.3
116.84400	0.2
117.07027	0.5
119.08590	1.7
121.02878	7.9
121.03867	0.5
121.06506	0.4
121.10138	1.3
123.08074	0.2
123.11669	0.3
127.03954	0.5
128.06215	0.3
129.07013	0.8
131.08553	0.7
133.02878	1.4
133.06462	0.2
133.10103	1.1
135.04399	0.5
135.08070	0.5
135.11688	0.5
137.02351	2.3
137.09642	0.2
139.05392	0.2
140.68872	0.2
141.06998	0.5
143.08543	0.3
145.02806	0.2
145.06499	0.7
145.10104	1.2
147.04434	1.3
147.08038	0.2
147.11696	0.8
149.09595	0.3
149.13274	1.3
153.01836	11.7
153.06952	0.2
157.06490	1.6
157.10126	0.8
159.08128	0.2
159.11705	1.2
161.05986	0.5
161.13281	0.3
165.01852	4.0
167.14336	0.7
171.04424	0.8
171.11664	0.5
173.05922	0.3
173.13248	0.6
175.07401	0.2
175.14806	0.4
177.06790	0.6
177.12753	0.2
183.02901	1.6
184.05206	0.3
185.05968	1.3
185.13213	0.4
187.14690	0.3
189.05461	0.3
189.16417	0.2
194.01697	0.2
197.06009	0.5
199.07590	0.2
199.11308	0.2
199.14764	0.3
201.16356	0.9
203.03453	0.2
203.06995	0.5
213.05466	3.3
213.16400	0.4
227.07104	0.3
229.05038	0.5
231.06551	1.5
231.15810	1.0
241.04971	1.5
241.08591	0.3
242.05673	0.3
243.06483	0.3
245.04352	0.2
255.09973	0.2
258.05255	2.6
259.06012	0.6
269.04443	0.5
269.07626	0.2
269.15289	0.3
269.22571	0.8
287.05508	100.0
287.23578	2.3
288.05847	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0552
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.02359	0.2
52.09643	0.2
53.03935	0.3
55.01883	0.3
55.05520	0.2
57.13239	0.2
65.03941	0.3
67.01869	0.4
67.05505	0.4
68.99796	2.5
69.03417	0.4
69.07058	0.2
69.43134	1.4
71.01334	0.2
79.05496	1.0
81.03436	0.4
81.07047	1.0
91.05475	0.6
93.07049	0.5
95.04958	0.3
95.08616	0.5
103.05443	0.2
105.03404	0.8
105.07037	0.6
107.04966	1.3
107.08578	0.6
109.02879	0.8
109.10167	0.3
111.00819	1.8
111.04472	0.4
117.06998	0.3
117.44508	0.2
119.04983	0.2
119.08571	0.5
121.02007	0.3
121.02877	6.6
121.06483	0.2
121.10144	0.3
123.08108	0.2
127.03925	0.5
128.06253	0.2
129.06989	0.5
130.22461	0.2
131.08537	0.2
133.02859	0.8
133.10101	0.3
135.04471	0.2
135.08028	0.2
135.11737	0.2
137.02350	2.2
141.06982	0.5
145.06474	0.6
145.10112	0.4
147.04408	1.3
147.11685	0.4
149.13217	0.3
153.01837	10.8
157.06490	1.5
157.10149	0.3
159.11674	0.2
161.06007	0.5
161.13258	0.2
163.03995	0.4
165.01852	3.6
166.68602	0.2
169.06496	0.2
171.04434	0.5
171.11667	0.2
173.13329	0.3
175.11243	0.2
177.06807	0.3
183.02890	1.7
184.05109	0.2
185.06001	1.3
189.05504	0.3
197.05992	0.3
199.03766	0.2
199.14743	0.2
201.16467	0.2
203.07089	0.3
213.05493	2.9
220.52261	0.2
229.04857	0.4
231.06526	1.2
237.69411	0.2
241.04971	1.4
243.06573	0.2
258.05255	2.6
259.06180	0.9
269.04330	0.4
269.22583	0.4
287.05515	100.0
287.23700	1.1
288.05826	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.44905	0.2
57.65998	0.2
61.06216	0.2
65.03918	0.3
67.01866	0.5
68.99794	2.2
69.03423	0.2
70.06583	0.3
71.42452	0.3
79.05479	0.8
81.03415	0.5
84.08169	0.3
85.02927	0.3
86.09692	0.2
91.05456	0.2
95.04946	0.3
96.51006	0.2
103.05449	0.3
105.03401	0.9
105.06959	0.2
107.04974	1.3
109.02884	0.7
111.00821	1.2
111.04445	0.4
115.05442	0.3
117.07009	0.4
119.04941	0.4
121.02872	8.4
121.03864	0.5
127.03919	0.8
129.07010	0.5
131.04863	0.2
133.02847	1.0
135.04393	0.3
137.02325	2.1
140.10677	0.2
141.06908	0.3
144.08076	0.3
145.06503	0.7
147.04416	1.7
148.04846	0.2
151.03984	0.2
153.01834	10.4
157.06494	1.4
161.05946	0.3
165.01839	3.9
168.62360	0.2
169.06584	0.2
171.04451	0.7
175.03856	0.3
175.07666	0.2
180.07903	0.2
183.02933	2.0
185.05907	1.0
189.05469	0.5
191.07028	0.2
197.05975	0.2
203.07039	0.4
213.05466	3.1
226.61211	0.2
227.07140	0.3
229.04990	0.5
231.06499	1.3
241.04903	1.5
245.04477	0.3
258.05240	2.2
259.06024	0.8
262.01620	0.2
269.04462	0.5
287.05508	100.0
288.05841	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01844	0.3
57.74763	0.2
57.75039	0.2
64.63091	0.2
65.03938	0.4
67.01865	0.3
68.82467	0.2
68.99795	2.6
69.03424	0.3
69.52979	1.1
76.60355	0.2
79.05488	0.5
81.03405	0.5
86.09720	0.2
95.04987	0.3
98.50478	0.2
99.23952	0.2
103.05450	0.2
105.03393	0.8
105.04530	0.2
107.04970	1.1
109.02883	0.8
111.00815	1.5
111.04436	0.3
121.02875	6.2
121.03867	0.4
127.03945	0.2
128.10707	0.3
129.07022	0.4
133.02893	1.0
134.51437	0.2
135.04448	0.2
137.02335	2.1
141.07010	0.3
141.87798	0.2
145.06511	0.6
147.04410	1.4
153.01843	10.5
157.06477	1.3
161.06024	0.4
165.01846	3.5
171.04414	0.7
175.03871	0.3
183.02950	1.6
185.05971	1.2
189.05505	0.3
197.06021	0.3
201.05504	0.2
203.03346	0.2
203.06958	0.2
213.05498	4.0
229.04993	0.4
231.06560	1.2
240.85579	0.2
241.04947	1.6
258.05231	2.4
259.06006	0.8
269.04501	0.4
287.05511	100.0
288.05786	1.5
295.78854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65772	0.2
53.03938	0.3
55.36273	0.3
56.52720	0.2
65.03912	0.4
67.01843	0.3
68.99793	2.0
71.42536	0.3
79.05482	0.5
95.04945	0.3
105.03375	0.8
107.04956	1.0
109.02872	0.9
111.00814	1.6
111.04439	0.4
119.04984	0.2
121.02866	6.0
121.03806	0.2
129.06998	0.5
133.02850	0.8
135.04396	0.3
137.02338	2.0
145.06464	0.6
147.04430	1.4
153.01837	9.6
157.06531	1.2
161.05948	0.4
163.03790	0.3
165.01849	3.4
171.04410	0.9
175.03645	0.2
183.02910	1.4
185.05981	1.1
191.00363	0.2
194.02261	0.2
203.03365	0.2
213.05487	2.6
229.05017	0.5
231.06537	0.9
241.04950	1.5
243.06764	0.3
258.05231	2.5
259.05893	0.6
269.04330	0.4
287.05499	100.0
288.05838	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01847	0.2
56.12145	0.2
65.03928	0.7
67.01854	0.4
68.99796	2.6
69.03418	0.2
69.83379	0.8
75.47263	0.2
79.05485	0.7
81.03407	0.4
93.03375	0.2
95.04964	0.2
105.03389	1.1
107.04951	1.1
109.02901	0.9
111.00811	1.4
111.04410	0.5
121.02872	7.2
127.03880	0.3
129.07005	0.5
133.02885	0.8
135.04451	0.5
137.02348	2.3
145.06490	0.5
147.04390	1.5
149.02391	0.2
153.01833	11.1
157.06496	1.6
159.61971	0.2
161.05959	0.3
165.01843	3.8
169.06477	0.2
171.02893	0.2
171.04370	0.7
183.02882	1.6
184.05312	0.2
185.05977	1.4
189.05432	0.2
197.06009	0.5
201.05501	0.2
203.03386	0.2
203.07004	0.2
213.05469	4.0
216.04356	0.2
229.04858	0.5
231.06482	1.5
241.04968	1.7
243.06595	0.3
258.05225	2.6
259.05896	1.0
269.04370	0.4
279.86868	0.2
287.05499	100.0
288.05835	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.10036	0.2
53.03962	0.2
65.03954	0.3
67.01852	0.4
68.99791	2.4
79.05487	0.5
89.82584	0.2
95.04955	0.2
103.05436	0.3
105.03405	0.7
107.04958	1.2
109.02904	0.6
111.00807	1.4
111.04447	0.3
113.69619	0.2
121.02887	5.2
128.06296	0.3
129.07018	0.4
133.02866	0.8
135.04369	0.2
137.02342	1.8
141.06964	0.3
143.34137	0.2
145.06505	0.5
147.04434	1.2
148.06665	0.2
152.76724	0.2
153.00578	0.4
153.01839	8.6
157.06488	1.3
161.05977	0.5
165.01857	3.1
171.04401	0.4
175.03912	0.3
183.02907	1.3
185.05966	1.0
189.05486	0.3
213.05478	2.8
216.43532	0.2
225.01920	0.2
229.04956	0.3
229.16400	0.3
231.06523	1.0
241.04959	1.7
258.05286	2.1
259.06076	0.8
287.05524	100.0
288.05972	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60036	0.2
53.03933	0.2
65.03942	0.4
66.57327	0.2
67.01856	0.3
68.99789	2.8
69.03432	0.4
70.45889	0.5
79.05481	0.8
81.03416	0.4
88.49812	0.2
91.22578	0.2
93.02901	0.2
95.04968	0.4
98.20853	0.3
103.05471	0.2
105.03384	1.0
107.04955	1.6
109.02877	0.7
109.49530	0.2
111.00804	1.8
111.04449	0.5
115.05492	0.5
117.07014	0.2
121.02879	8.0
121.03870	0.6
122.72577	0.2
127.03924	0.3
129.07001	0.5
133.02840	1.1
135.04448	0.5
137.02336	2.5
141.06975	0.4
145.06480	0.7
147.04414	1.4
153.01837	11.9
157.06491	1.8
161.05975	0.5
165.01849	4.4
171.04387	1.0
175.03873	0.3
183.02896	1.7
185.06003	1.2
189.05447	0.3
197.06033	0.3
203.07043	0.4
213.05498	3.8
217.05011	0.2
225.60840	0.2
228.28723	0.2
231.06544	1.3
241.04971	2.0
258.05225	2.7
259.06000	1.2
269.04504	0.3
282.93433	0.2
287.05511	100.0
288.05774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.2
58.94080	0.2
65.03945	0.6
67.01859	0.4
68.99795	2.6
69.03432	0.4
71.42890	0.4
79.05489	0.6
81.03421	0.5
87.17002	0.3
93.03402	0.3
97.02894	0.3
103.05471	0.3
105.03402	1.4
107.04939	1.2
109.02870	0.7
111.00797	1.8
114.68287	0.2
121.02879	6.7
121.03911	0.4
124.72179	0.2
127.03917	0.4
128.06200	0.5
129.07013	0.4
133.02888	0.7
135.04393	0.4
137.02359	2.9
139.05402	0.2
141.06958	0.3
145.06500	0.6
147.04419	1.4
153.01837	13.3
157.06509	1.4
161.05974	0.2
165.01866	3.5
171.04449	0.8
181.01241	0.2
183.02936	1.7
185.05965	1.1
189.05473	0.5
197.06015	0.4
203.07089	0.4
212.04709	0.3
213.05484	3.1
229.04997	0.5
231.06610	1.3
241.04884	1.5
258.05243	2.4
259.06033	1.0
269.04446	0.4
270.70731	0.2
287.05518	100.0
288.05896	2.0
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	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
65.03940	0.5
67.01864	0.4
68.99453	0.2
68.99796	2.5
69.03413	0.2
70.89062	0.3
79.05489	0.9
81.03412	0.4
92.19454	0.2
95.05017	0.2
103.05408	0.2
105.03397	0.9
107.04963	1.2
109.02893	0.8
111.00818	1.7
111.04440	0.2
111.26975	0.2
115.05406	0.2
116.72795	0.1
121.02874	6.4
127.03931	0.3
127.10426	0.1
129.07025	0.4
133.02846	0.9
135.04414	0.3
137.02325	1.8
138.84558	0.1
140.98605	0.2
141.06996	0.2
145.06511	0.2
147.04404	1.2
153.01836	10.8
157.06490	1.7
161.05989	0.3
165.01840	3.1
171.04404	0.7
173.06047	0.2
175.03928	0.2
175.07582	0.2
183.02908	1.3
185.05986	1.2
189.05487	0.3
197.05891	0.1
199.03877	0.2
213.05447	2.4
216.04295	0.2
229.05003	0.5
231.06531	1.2
241.04944	1.2
243.06586	0.2
258.05255	1.9
259.06061	0.8
264.11566	0.2
269.04474	0.5
287.05502	100.0
288.05801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0553
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.86524	0.1
53.03947	0.2
55.01872	0.2
56.55326	0.1
62.72158	0.1
65.03941	0.4
67.01875	0.4
68.99801	2.7
69.03426	0.4
69.48962	0.7
79.05496	0.8
81.03416	0.4
89.64722	0.1
91.05465	0.1
95.04969	0.3
103.05465	0.1
104.17769	0.1
104.47725	0.1
105.03416	1.3
105.04530	0.2
107.04971	1.3
109.02898	1.0
111.00813	1.4
111.04447	0.3
115.05453	0.2
115.08994	0.1
117.07076	0.1
119.04934	0.3
119.08576	0.1
121.02883	7.7
121.03909	0.4
121.06528	0.1
126.03121	0.1
127.03937	0.2
128.06255	0.2
129.06139	0.1
129.07010	0.5
130.02641	0.1
133.02847	1.1
135.04425	0.4
137.02356	2.5
141.06929	0.3
143.04927	0.2
145.06519	0.6
147.04414	1.7
153.01846	12.4
155.06172	0.1
157.06517	1.7
161.05969	0.5
165.01860	4.1
167.40199	0.1
169.06465	0.3
171.02997	0.2
171.04398	0.7
173.05945	0.1
175.03952	0.1
175.07544	0.2
183.02885	1.5
185.05995	1.3
189.05440	0.3
194.02087	0.1
196.05153	0.1
197.05965	0.3
199.03912	0.2
201.05507	0.2
203.03384	0.2
203.05305	0.1
203.07112	0.4
213.03461	0.2
213.05490	3.4
216.04265	0.2
217.05087	0.1
219.06599	0.1
229.04948	0.4
231.06509	1.3
241.04964	1.8
242.05696	0.2
243.06538	0.2
245.04582	0.1
258.05249	2.3
259.06033	1.0
269.04486	0.4
287.05521	100.0
288.05890	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80332	0.2
65.03932	0.6
67.01864	0.3
68.99454	0.2
68.99797	2.2
69.03416	0.2
70.23080	0.7
77.20990	0.2
79.05483	0.6
81.03410	0.4
93.67065	0.2
95.04960	0.3
103.05434	0.2
105.03408	0.9
107.04971	1.3
109.02867	0.6
111.00807	1.6
111.04457	0.3
115.05515	0.2
121.02874	6.7
121.03858	0.3
126.42209	0.2
127.03925	0.4
129.07053	0.4
133.02885	1.1
135.04401	0.3
137.02344	1.9
141.07022	0.3
145.06487	0.4
147.04408	1.5
150.54773	0.2
153.01837	10.3
157.06477	1.8
158.33434	0.2
161.05980	0.5
165.01851	3.3
169.06445	0.4
171.04424	0.8
175.03902	0.3
175.07558	0.3
183.02885	1.2
185.05971	1.1
189.05518	0.3
197.06050	0.4
203.07111	0.4
213.05478	3.7
218.79692	0.2
222.75377	0.2
228.82179	0.2
229.04994	0.3
231.06488	1.3
241.04915	1.7
258.05243	2.6
259.05923	0.9
269.04443	0.3
287.05502	100.0
288.05774	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00687	0.1
53.00583	0.1
53.03933	0.3
54.51928	0.1
55.01865	0.2
60.05645	0.2
64.62807	0.1
65.03932	0.4
67.01847	0.3
67.45065	0.1
68.99446	0.2
68.99797	2.4
69.03415	0.4
69.07068	0.2
69.58009	0.5
70.06593	1.4
71.01358	0.2
71.04987	0.1
72.08165	0.3
74.06087	0.1
77.03951	0.1
79.05500	0.7
81.03432	0.5
84.04460	0.1
84.08137	0.6
85.02936	0.1
85.24077	0.1
86.09705	0.8
87.10020	0.1
91.05479	0.3
95.01313	0.1
95.04951	0.3
97.02906	0.2
98.20850	0.2
102.05540	0.1
103.05456	0.4
105.03388	1.1
107.04965	1.7
109.02886	1.0
111.00812	1.8
111.04429	0.3
112.08748	0.2
115.05441	0.3
116.07067	0.5
117.07533	0.2
119.04941	0.4
120.08101	0.1
121.02875	8.2
121.03912	0.4
121.06487	0.2
123.04398	0.2
127.03906	0.7
128.06219	0.2
128.10706	0.3
129.06987	0.4
129.10249	0.3
131.04919	0.3
133.02859	1.0
133.06462	0.2
135.04388	0.4
135.08051	0.1
137.01384	0.1
137.02356	2.3
141.05421	0.2
141.06958	0.2
143.11795	0.2
144.12152	0.2
145.02814	0.1
145.06506	0.7
147.04424	1.8
149.02353	0.2
149.05994	0.2
151.03925	0.3
153.01836	11.2
154.02232	0.1
155.06064	0.1
157.06487	1.5
161.05995	0.8
163.03938	0.2
165.01849	3.4
167.04933	0.1
167.06985	0.6
167.94199	0.1
169.06529	0.1
171.03018	0.1
171.04399	0.9
173.06015	0.3
175.03899	0.2
175.07584	0.1
179.03336	0.1
181.04965	0.1
183.02905	1.6
184.05299	0.2
185.05978	1.3
189.05479	0.3
191.07104	0.2
193.05006	0.3
197.06015	0.3
199.03922	0.2
201.05476	0.2
203.03403	0.2
203.07008	0.3
205.08554	0.1
205.31723	0.1
209.09941	0.1
212.04759	0.1
213.03459	0.2
213.05479	3.1
217.04999	0.1
219.06390	0.1
223.09665	0.3
229.04964	0.4
231.06540	1.4
241.04956	2.0
242.05853	0.1
243.06499	0.2
245.04465	0.3
257.04410	0.2
258.05295	2.3
259.06085	0.8
269.04483	0.5
287.05511	100.0
288.05841	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01870	0.2
58.99249	0.1
60.43550	0.1
65.03938	0.5
67.01854	0.4
67.05502	0.2
68.99792	2.5
69.03410	0.5
70.06584	0.5
70.49252	0.4
76.58717	0.1
79.05481	0.6
81.03413	0.5
84.08130	0.4
85.02901	0.2
86.09700	0.5
89.13120	0.1
91.05495	0.5
95.04955	0.3
95.08561	0.1
97.02876	0.3
99.04458	0.2
100.11234	0.2
103.05462	0.4
105.03393	0.8
105.07002	0.3
107.04946	1.7
109.02872	0.9
110.09711	0.2
111.00809	1.5
111.04428	0.3
115.05420	0.3
119.04924	0.3
121.02872	6.9
121.03930	0.5
121.06509	0.2
127.03873	0.3
128.06238	0.2
128.10718	1.4
129.06999	0.6
129.10223	0.2
131.04948	0.2
133.02869	1.2
133.06535	0.2
135.04402	0.5
137.02351	2.3
137.03323	0.3
141.06900	0.3
142.12296	0.2
145.06514	0.8
147.04425	1.7
149.02351	0.1
149.05943	0.2
151.03868	0.5
151.09349	0.2
153.01834	11.0
157.06471	1.6
161.05949	0.4
163.03940	0.2
165.01846	3.9
166.02530	0.2
166.18646	0.2
169.06560	0.2
171.04398	0.9
173.05975	0.2
175.03954	0.3
183.02893	1.5
185.05956	1.4
185.59695	0.1
189.05481	0.3
193.04929	0.2
196.27721	0.1
197.05978	0.3
203.03419	0.4
203.06990	0.3
213.05461	2.6
216.04253	0.2
217.04997	0.2
229.04948	0.4
231.06438	1.4
241.04962	1.6
242.05659	0.2
243.06390	0.2
253.43877	0.2
258.05249	2.5
259.06097	0.8
269.04419	0.4
287.05499	100.0
288.05789	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.05502	0.8
57.07066	2.3
65.03946	5.8
67.05507	31.5
68.99781	0.7
70.15769	1.1
70.16124	1.1
70.83118	0.5
79.05477	1.0
81.03413	1.4
81.07027	1.9
85.06551	18.0
89.03889	1.2
91.05499	4.7
93.07033	0.9
95.08578	0.8
98.21177	1.2
103.05470	0.9
105.03374	0.6
105.07008	1.5
107.04919	0.8
107.08598	0.8
109.02882	2.4
109.10188	0.7
115.05460	0.6
117.07016	1.3
119.08519	0.7
121.02832	1.9
121.10171	0.6
127.03899	4.2
129.03392	1.2
129.07033	0.9
131.04927	6.4
131.08607	0.6
135.11761	0.6
137.02313	0.7
141.06969	0.6
143.08604	0.7
145.02843	2.0
145.06429	0.6
147.03249	1.1
147.04419	21.0
153.00525	0.5
153.01823	3.1
153.07019	0.6
157.02852	3.7
157.06494	1.1
157.10178	0.6
159.04401	3.0
159.11607	0.6
159.31241	0.5
161.06006	2.4
165.01805	0.7
171.08043	0.6
173.02342	5.8
174.03125	1.2
175.03938	7.4
177.06773	0.8
185.00941	0.6
185.02283	2.9
185.05919	1.0
197.05998	0.6
199.03891	0.6
199.07553	1.8
201.01822	5.1
202.02669	1.9
203.03403	100.0
204.03732	1.1
213.05524	1.3
215.03447	1.2
219.19798	0.5
223.07538	0.6
227.06874	1.1
236.37920	0.5
241.08603	1.5
243.06581	3.0
243.10257	0.6
258.05371	1.0
259.09808	0.7
265.79568	0.6
269.08054	4.3
269.22681	0.8
287.05548	32.6
287.09048	4.9
287.23703	1.5
288.05890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Pinobanksin 3-methyl ether
Peak:m/z	Relative Intensity
53.03943	1.6
55.01878	0.9
55.05515	0.4
57.03423	0.3
65.03950	0.5
67.01868	0.5
67.05519	0.5
68.99789	2.3
69.03441	0.6
69.07050	0.6
69.90823	1.5
71.04990	0.5
79.05495	1.4
81.03422	3.6
81.07056	1.3
83.01344	0.4
83.08624	0.5
91.05491	8.9
93.07049	0.9
95.04977	0.6
95.08610	0.7
97.02889	0.4
98.21058	0.6
99.04456	1.7
103.05468	0.5
105.03413	1.1
105.07030	1.3
107.04979	1.5
107.08607	1.2
109.02894	5.9
109.10177	0.6
111.00801	1.7
115.05447	1.4
117.07034	2.1
119.08593	0.7
121.02879	6.5
121.10205	0.4
123.11674	0.5
127.03929	11.9
128.06244	0.7
129.07011	1.2
131.08597	0.4
133.02882	0.9
133.06523	1.2
133.10130	0.5
135.04408	0.4
137.02333	2.2
141.06973	0.9
143.04907	0.4
143.08565	0.4
145.06490	2.3
145.10138	0.8
147.04436	1.6
147.07957	0.4
147.11716	0.7
151.03917	0.3
152.06232	0.6
153.01834	11.2
153.07011	1.1
155.08562	0.7
156.05763	0.4
157.06480	1.8
157.10153	0.5
159.11662	0.4
161.05991	9.7
165.01854	3.8
165.07002	0.5
167.08621	0.5
168.05724	0.5
169.06538	0.6
170.07304	0.9
171.04416	0.6
171.08076	0.8
171.11633	0.4
173.13324	0.5
174.06726	0.5
181.06496	1.3
182.07370	1.5
183.02917	1.8
183.04414	0.7
183.08023	0.6
184.05238	0.6
185.06009	1.9
188.08470	0.4
189.09123	0.8
195.08110	0.6
196.05292	0.3
197.05960	0.8
198.06787	3.1
199.07549	1.8
201.05542	0.5
201.16393	0.5
210.06792	0.5
211.07507	0.6
212.07922	0.3
213.05492	5.1
213.09113	6.2
213.16354	0.4
217.08580	0.5
223.07558	0.5
226.06227	1.0
227.07014	0.8
228.07770	1.8
229.05011	1.4
231.06552	1.1
241.05005	1.8
241.08601	6.8
243.06451	0.4
244.07408	1.1
255.06621	0.4
255.09798	0.5
258.05283	1.9
259.05936	0.6
259.09680	14.5
269.04541	0.4
269.08084	1.7
269.22595	0.6
287.05511	100.0
287.09088	22.4
287.23727	1.6
288.05719	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0915
Annotation	Heraclenin
Peak:m/z	Relative Intensity
53.03929	1.0
55.05502	0.8
57.07066	2.3
65.03946	5.8
67.05507	31.5
68.99781	0.7
70.15769	1.1
70.16124	1.1
70.83118	0.5
79.05477	1.0
81.03413	1.4
81.07027	1.9
85.06551	18.0
89.03889	1.2
91.05499	4.7
93.07033	0.9
95.08578	0.8
98.21177	1.2
103.05470	0.9
105.03374	0.6
105.07008	1.5
107.04919	0.8
107.08598	0.8
109.02882	2.4
109.10188	0.7
115.05460	0.6
117.07016	1.3
119.08519	0.7
121.02832	1.9
121.10171	0.6
127.03899	4.2
129.03392	1.2
129.07033	0.9
131.04927	6.4
131.08607	0.6
135.11761	0.6
137.02313	0.7
141.06969	0.6
143.08604	0.7
145.02843	2.0
145.06429	0.6
147.03249	1.1
147.04419	21.0
153.00525	0.5
153.01823	3.1
153.07019	0.6
157.02852	3.7
157.06494	1.1
157.10178	0.6
159.04401	3.0
159.11607	0.6
159.31241	0.5
161.06006	2.4
165.01805	0.7
171.08043	0.6
173.02342	5.8
174.03125	1.2
175.03938	7.4
177.06773	0.8
185.00941	0.6
185.02283	2.9
185.05919	1.0
197.05998	0.6
199.03891	0.6
199.07553	1.8
201.01822	5.1
202.02669	1.9
203.03403	100.0
204.03732	1.1
213.05524	1.3
215.03447	1.2
219.19798	0.5
223.07538	0.6
227.06874	1.1
236.37920	0.5
241.08603	1.5
243.06581	3.0
243.10257	0.6
258.05371	1.0
259.09808	0.7
265.79568	0.6
269.08054	4.3
269.22681	0.8
287.05548	32.6
287.09048	4.9
287.23703	1.5
288.05890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Pinobanksin 3-methyl ether
Peak:m/z	Relative Intensity
53.03939	2.7
55.01865	1.5
55.05490	0.5
55.46835	0.4
63.44574	0.4
64.44136	0.3
65.03953	0.5
67.05503	0.9
68.99791	2.9
69.03416	0.8
71.04997	0.6
71.12231	0.8
79.05482	0.8
81.03423	5.2
81.07043	1.7
82.00455	0.4
83.01329	0.4
91.05486	11.7
93.07052	1.3
95.08605	1.7
98.82947	0.4
99.04453	2.6
102.88550	0.4
103.05473	0.8
105.03409	1.5
105.07024	1.9
107.04964	1.1
107.08600	1.2
109.02879	9.2
109.10162	1.1
111.00784	1.3
115.05457	2.8
117.07040	2.0
119.04964	0.5
119.08612	1.2
121.02866	7.2
121.03780	0.6
121.06503	0.5
121.10152	0.7
125.02360	0.5
127.03923	18.7
128.06183	1.0
129.07018	0.9
131.05045	0.4
131.08557	0.7
133.02885	0.9
133.06511	1.5
133.10141	1.0
135.93416	0.5
137.02390	1.4
141.06993	1.0
143.08562	0.7
145.06480	2.4
145.10219	0.5
147.04448	1.2
147.11736	0.8
149.13322	0.7
153.01834	10.5
153.06987	1.6
155.08534	0.5
157.06496	1.7
159.11707	0.7
161.05977	12.7
161.13301	0.5
165.01839	3.6
165.07057	0.6
167.08502	0.4
169.06456	1.2
170.07378	0.6
171.04475	0.6
171.08063	1.1
171.11703	0.7
181.06531	1.4
182.07323	1.0
183.02971	1.9
183.08054	0.6
184.05255	0.4
185.05963	1.5
195.08136	0.7
197.05959	0.5
198.06796	3.6
199.07542	2.4
199.52654	0.4
201.16322	0.5
211.07469	0.6
212.04713	0.5
212.34227	0.4
213.05501	4.1
213.09073	4.9
217.08743	0.5
223.07544	1.4
226.06227	0.9
227.07147	0.9
228.07826	1.6
229.04974	2.2
231.06557	0.9
231.48941	0.4
241.04947	1.8
241.08611	5.5
243.06493	0.7
243.10320	0.6
244.07346	0.9
255.06433	0.6
255.10226	1.2
256.11047	0.5
258.05228	2.4
259.06622	0.7
259.09656	12.5
269.08185	1.8
269.22742	1.3
287.05560	100.0
287.09109	18.9
287.23785	2.5
288.05908	1.8
288.09174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94687	0.8
53.03929	1.5
55.01854	2.3
55.60554	0.8
56.79314	0.8
56.94295	1.1
56.96566	11.3
57.03443	7.2
61.02932	7.1
65.03918	0.8
65.11132	0.8
67.05498	1.0
69.03432	16.4
70.06599	8.0
70.98136	1.5
71.01337	1.4
71.04991	1.9
71.24606	0.7
71.95204	0.9
72.08149	4.3
72.93774	2.3
73.02925	6.0
74.06059	1.5
79.05456	1.4
81.03427	5.6
82.99847	2.0
83.04965	1.0
84.04500	1.1
84.08146	5.7
84.96025	1.1
85.02905	19.3
86.03240	1.4
86.09696	2.3
87.04454	3.3
89.00845	1.2
91.03962	1.0
91.05477	4.1
95.01347	1.2
95.04935	1.3
97.02890	12.5
98.97588	19.9
99.04449	2.3
101.00885	14.9
101.02389	0.8
102.00984	1.2
103.02334	1.0
103.05482	0.8
107.04959	11.3
109.02884	2.6
110.01223	1.1
110.07171	5.7
110.97578	5.2
111.07498	1.7
111.78072	0.7
112.07597	3.6
112.99122	0.9
113.00861	2.9
113.02332	2.6
113.07981	0.8
115.02434	1.7
115.08692	1.1
116.07099	1.2
116.98634	5.6
119.01919	19.2
119.04961	4.4
120.02050	1.5
121.01663	1.0
121.02848	1.9
122.03644	2.2
124.07632	1.1
124.99122	0.9
125.07930	1.7
126.98682	0.9
127.03918	7.1
128.02324	2.2
128.04204	1.0
128.96402	0.9
128.98622	5.3
129.10193	1.3
130.08650	4.1
131.01895	5.3
132.95845	2.5
133.03464	2.5
134.99643	2.2
135.04349	1.4
137.02995	1.0
137.05980	25.4
138.06374	1.2
140.02306	2.0
140.07034	0.9
141.01964	0.8
143.00169	1.7
143.01903	31.9
144.02057	1.5
144.99809	2.5
145.01662	1.5
145.03467	3.4
145.04984	2.9
146.02338	1.2
146.99692	2.0
147.01324	1.0
147.04364	8.3
149.02913	1.1
149.06004	0.9
151.07513	1.2
152.02280	1.7
153.01854	2.1
155.01897	3.4
156.07700	0.9
157.03502	2.6
158.99612	5.9
159.04974	0.9
161.02968	37.1
161.04356	2.0
162.03188	1.3
164.12701	1.4
165.01807	1.1
167.06923	1.0
168.03316	1.1
170.03444	1.3
170.99654	4.1
171.01357	1.4
172.94363	1.7
172.99326	1.6
173.02953	5.4
174.04509	1.3
175.04654	1.3
177.00749	3.4
177.02495	2.5
179.07111	2.2
181.03531	1.5
182.03366	5.4
182.99727	1.0
185.02959	2.5
185.06627	1.1
186.04333	2.0
186.09460	0.9
186.96867	0.9
187.04646	1.3
187.11948	0.9
188.03358	1.9
189.00726	3.9
189.02281	1.0
190.95386	3.0
191.04002	4.9
191.05511	1.5
194.06175	1.1
194.97475	1.0
195.05048	3.1
197.03966	1.5
197.06607	1.3
199.04436	1.2
200.04417	3.1
200.06075	5.6
201.00705	1.9
203.04036	7.2
204.05536	2.0
206.02643	2.7
207.05128	1.1
208.04971	3.0
212.98488	1.3
213.02496	1.8
217.05495	1.8
219.01782	2.7
219.05133	2.2
221.05025	5.1
226.01463	1.1
227.00470	1.1
227.04008	1.7
230.98120	1.2
232.96445	2.6
237.02731	2.1
237.06001	1.7
237.64378	2.2
243.03569	1.0
244.04131	1.1
244.96602	1.1
245.01588	1.3
245.05070	2.1
248.99112	1.3
249.02940	1.0
259.09653	1.2
261.02945	1.4
285.66461	0.8
286.98010	1.4
287.05923	19.7
287.11020	100.0
288.11115	1.2
288.20416	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.111
Annotation	Homoarbutin
Peak:m/z	Relative Intensity
53.03950	0.9
56.96570	1.8
57.03429	3.1
61.02925	2.5
63.00039	1.1
63.90208	0.9
65.03947	3.1
67.05518	1.2
68.99800	2.9
69.03433	1.2
69.07066	0.9
69.56579	0.7
70.06594	8.0
70.12528	2.1
72.08150	4.7
72.93799	0.9
74.06086	1.1
75.04482	1.9
77.77928	1.1
79.05498	5.6
79.50835	0.9
81.03413	1.2
81.04523	1.0
83.05010	1.3
84.04517	1.6
84.08143	3.7
85.02918	0.9
86.09715	3.9
88.02192	1.1
91.05502	1.1
93.03395	5.5
95.04983	2.4
98.97598	1.1
98.98470	1.5
105.03423	1.2
107.04966	12.9
110.03685	6.6
110.07166	1.6
111.00781	1.0
111.04459	5.4
116.07092	2.1
119.04955	0.9
121.02872	5.8
121.06526	3.7
122.03593	0.9
123.04476	1.6
125.05995	30.2
127.03930	1.3
129.10284	1.7
130.08640	2.4
133.02817	4.2
133.57445	0.9
135.04420	8.8
137.02338	1.2
137.05988	2.9
145.06557	0.8
147.04398	2.5
149.05988	7.3
150.03151	2.8
151.03914	24.8
151.05020	2.3
151.07568	1.0
152.04703	1.1
153.01857	8.4
153.05490	2.7
155.16319	0.9
157.06569	1.1
162.03169	1.6
163.03970	3.2
163.07608	1.5
165.01881	1.8
165.05492	11.0
167.07024	6.0
171.07747	1.4
174.79288	0.9
175.03929	1.1
175.11975	0.9
177.05481	13.0
177.06911	1.3
180.04225	2.9
181.08626	1.0
183.02930	1.1
185.05988	1.2
185.16551	1.0
195.06532	5.4
199.09695	1.8
213.05472	2.7
213.07643	3.1
225.07635	3.1
227.07115	1.0
231.06538	1.5
241.05084	0.8
258.05264	2.1
259.06033	1.1
265.52982	0.9
269.10297	3.0
287.05600	78.3
287.10999	100.0
288.06012	1.5
288.11420	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1125
Annotation	4-Hydroxybenzyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03931	0.9
55.01868	1.4
55.05502	0.8
56.05035	0.7
57.03426	0.4
58.06580	0.4
61.02928	0.3
63.00033	0.6
64.99746	0.5
65.03941	0.6
67.01844	0.3
67.05500	0.5
68.99799	2.7
69.03426	1.3
69.07066	0.8
70.06599	6.3
70.82567	0.3
71.06915	0.7
71.50815	0.3
72.08166	3.6
74.06088	2.6
79.05477	1.4
81.03413	1.1
81.07063	0.8
84.04507	0.8
84.08152	4.7
85.02914	3.9
85.08455	0.4
86.09711	4.7
87.10056	0.4
91.05476	1.4
93.07052	0.8
95.01353	0.4
95.04977	1.4
95.08603	0.4
97.02908	1.7
98.98459	0.5
99.04447	0.5
102.05522	0.5
103.03906	0.6
103.05436	0.7
105.03381	1.1
105.07014	0.5
107.04962	4.2
109.02880	2.2
109.06516	1.1
110.07147	1.5
111.00782	1.9
111.04462	0.9
112.08749	0.6
115.05459	1.0
115.08642	0.4
116.06366	0.4
116.07081	2.8
117.07024	0.6
119.04943	0.5
119.08579	0.3
120.06608	0.3
120.08088	0.9
121.02876	8.8
121.03897	0.5
121.06519	7.9
123.04443	0.9
123.07999	0.4
125.05999	2.1
127.03904	1.1
128.06268	0.5
129.06973	0.6
129.10254	2.3
131.04922	1.1
131.08643	0.4
133.02864	1.0
133.06461	0.5
135.04388	0.8
135.08054	1.3
136.06093	0.5
136.07571	1.4
137.02344	1.8
137.05984	16.5
139.03943	0.4
139.05428	0.4
141.07001	0.6
144.06572	0.9
144.13814	1.2
145.02911	0.4
145.06470	1.2
147.04442	1.8
149.05989	12.6
151.03909	2.7
153.01843	9.7
157.06531	2.0
158.99770	0.4
161.05972	3.2
163.03923	0.9
163.07562	1.0
164.07065	0.4
165.01872	3.1
165.05528	0.9
167.07057	7.9
171.04396	1.2
173.05983	0.6
173.09395	0.4
175.03944	0.8
175.07469	0.5
175.12067	0.7
177.05466	0.8
179.07079	0.5
183.02892	1.6
185.05923	1.8
187.07515	1.3
189.05479	0.9
191.03355	0.5
191.07039	3.8
193.04942	0.6
199.07564	0.6
203.03488	0.6
203.07027	1.4
213.05447	4.1
215.07031	1.2
217.05061	0.4
221.08189	0.9
224.96501	0.4
226.11060	0.8
227.11742	0.5
227.14333	0.4
229.04964	0.8
231.06522	1.4
233.08105	1.9
240.12788	0.4
241.04926	2.6
241.13287	0.9
245.04546	0.5
251.09158	0.8
255.06552	0.5
258.05292	2.2
259.06067	1.3
269.04517	0.6
269.12790	2.6
287.05518	100.0
288.05713	2.3
288.20337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1279
Annotation	7-Hydroxy-2,4,6-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.03937	1.1
55.05496	0.8
57.07081	4.6
58.06598	0.7
60.36906	0.7
62.06069	3.2
63.75088	0.6
67.03954	0.8
68.99796	1.0
69.07065	0.8
70.81895	1.2
71.08621	1.8
75.04458	1.2
79.05471	0.8
81.03411	1.7
81.07034	1.5
91.05486	6.6
95.08570	0.9
97.00533	0.9
98.21444	0.8
99.04449	1.9
105.07087	1.4
107.08554	0.9
109.02847	3.0
115.05510	0.8
117.06995	1.4
121.02877	1.7
127.03906	6.1
137.02368	1.1
141.06990	2.2
152.06238	3.9
153.01820	3.1
153.06999	2.7
157.06401	1.3
161.05994	11.2
165.01950	1.1
165.06972	6.2
166.07848	0.9
167.08601	3.5
169.06508	4.5
171.08076	1.6
175.18860	1.3
177.06802	2.2
180.05678	2.6
181.06479	9.5
182.07237	2.3
183.08005	2.5
184.08858	1.7
193.06453	1.1
194.07181	0.8
195.08063	20.8
196.08826	16.9
197.05986	12.7
197.09512	2.4
198.06758	1.7
199.07579	2.8
199.11156	2.0
201.09119	0.9
208.05225	2.3
209.05952	3.1
210.06819	1.1
211.07491	2.9
212.08321	23.0
212.23743	1.1
213.05566	0.8
213.09190	5.2
213.24025	1.3
222.06754	1.1
223.07536	5.0
224.08330	8.5
225.05447	6.7
225.09082	3.1
227.10667	31.9
229.08575	3.5
230.24855	6.0
231.25104	6.9
238.09912	1.2
239.07143	1.8
240.07822	15.6
240.47337	0.8
241.08604	18.7
243.10115	1.1
244.10808	1.6
253.08649	2.0
255.10175	93.1
256.10928	23.4
257.08084	5.3
259.09619	1.5
269.26761	0.9
271.09662	1.3
272.10355	9.0
286.31039	9.6
287.05646	25.3
287.12769	100.0
287.28110	2.0
287.31351	30.7
288.12955	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1278
Annotation	7-Hydroxy-2,4,6-trimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.06498	0.3
53.87130	0.3
53.97561	0.3
55.01884	0.4
55.03725	0.4
60.04525	0.5
61.71300	0.3
64.18993	0.3
67.05526	0.3
68.99788	0.4
69.03461	0.4
75.04491	0.4
78.25765	0.3
79.05545	0.4
81.03441	1.1
81.07056	0.7
83.04985	0.5
85.02885	0.4
85.06550	0.4
91.05492	4.7
93.07052	0.5
105.07027	0.6
107.08618	0.7
109.02910	2.7
109.03639	0.5
115.05463	0.8
117.07033	0.7
121.02874	0.7
121.57585	0.3
127.03926	3.2
128.06281	0.9
129.07001	0.7
131.04936	0.7
133.02937	0.4
133.06488	0.4
133.10149	0.4
134.16743	0.3
141.07007	1.5
143.08540	0.5
152.06201	2.3
153.01880	1.1
153.07011	1.9
154.07819	0.6
157.06493	0.9
161.05995	7.2
165.06984	4.0
166.07806	1.0
167.08582	2.9
168.05801	0.8
169.06490	3.7
171.08107	0.9
177.06883	0.4
180.05743	2.0
181.06470	5.7
182.07320	1.1
183.08038	1.9
184.08887	1.8
185.05969	0.6
187.07542	0.4
194.07283	0.7
195.08063	11.2
196.08841	11.9
197.05988	7.6
197.09578	1.2
198.06738	1.3
198.91908	0.3
199.07600	2.3
199.11130	0.7
201.09102	0.6
203.10521	0.4
208.05200	0.5
209.06038	1.3
210.06795	0.7
211.07542	3.4
212.08313	17.0
213.05559	0.7
213.09033	2.9
223.07555	3.3
224.08333	3.6
225.05409	1.1
225.09071	1.8
226.09804	0.5
227.07170	0.8
227.10663	13.1
229.08554	1.6
237.09157	1.1
238.09908	1.4
239.07068	0.7
240.07700	5.5
241.08571	6.9
243.10190	0.7
244.07272	0.6
244.10725	1.1
253.08638	0.7
255.10170	100.0
256.10904	9.8
257.08038	1.7
259.09622	1.8
269.08115	0.7
271.09726	1.0
272.10281	3.8
287.05661	8.8
287.09177	2.0
287.12726	32.8
287.27798	0.6
288.28928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	13-cis-Retinol
Peak:m/z	Relative Intensity
52.08461	1.4
52.30740	1.4
53.03939	2.8
55.05515	17.6
57.03427	3.3
57.07083	7.3
57.07310	1.3
59.67282	1.4
62.94195	1.3
65.03925	1.9
67.05513	25.4
69.03414	4.1
69.06796	1.4
69.07071	17.1
69.52258	11.2
71.04974	4.7
76.04016	3.7
77.04361	1.4
79.05496	18.6
81.07063	73.0
83.08609	6.0
84.17428	1.3
85.06532	2.6
85.21909	1.7
90.00320	1.5
91.05485	20.7
93.07051	53.5
95.04964	4.2
95.08614	41.0
96.32801	1.7
97.00550	1.4
97.06516	9.8
97.10165	6.7
98.15063	1.6
99.08099	3.9
105.07033	38.0
107.08600	46.9
108.66700	1.4
109.06521	3.5
109.10164	50.3
110.81316	1.4
111.08067	3.4
117.07043	3.9
119.08588	40.2
121.02871	2.0
121.06505	3.1
121.10146	29.4
123.08083	6.3
123.11717	17.4
125.09619	5.2
129.06987	2.3
131.08594	13.9
133.10150	25.7
135.08041	2.5
135.11697	19.0
137.09631	2.1
137.13248	2.9
143.08525	6.4
143.49902	1.6
144.09322	2.5
145.10147	19.2
147.07948	1.5
147.11713	20.1
149.09601	2.0
149.13271	25.2
151.11127	3.3
153.01848	5.4
154.83249	1.7
156.09218	1.8
156.36002	1.5
157.10147	13.7
159.11720	21.1
161.09592	1.9
161.13269	24.1
163.11185	5.6
163.14838	8.5
165.12767	2.8
171.11703	8.4
173.13278	17.0
175.14825	13.0
177.06749	7.2
177.12753	1.6
177.16380	4.3
185.13255	7.9
187.14832	7.7
189.12724	2.3
189.16356	9.0
191.14267	3.0
191.17908	3.8
199.14795	12.6
201.16431	6.0
203.17952	11.0
209.62852	1.8
213.05566	2.2
213.16373	20.5
214.16930	1.8
215.17993	4.4
217.15819	3.3
220.46878	1.8
222.75385	1.6
227.17990	6.3
229.19487	10.3
231.17542	2.8
241.19583	2.2
244.07291	2.1
259.09622	5.7
259.24203	4.3
269.22650	47.5
287.05536	40.5
287.08902	6.1
287.23694	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Dehydroabietinol
Peak:m/z	Relative Intensity
55.05507	4.9
57.07073	2.5
57.93811	0.7
61.58668	0.7
67.05512	8.7
68.99789	1.0
69.06399	0.6
69.07068	5.9
69.69123	4.1
69.69521	1.4
71.04983	1.0
73.95018	0.7
76.42645	0.8
77.64417	0.7
79.05500	9.5
81.07060	19.1
83.08615	1.9
85.06533	2.1
89.64980	0.8
91.05487	18.2
93.07051	16.9
95.05026	1.0
95.08611	14.2
97.00523	2.1
97.06551	1.9
97.10162	1.1
98.20770	0.9
99.08087	1.4
105.07036	34.1
107.08603	17.3
109.06548	0.7
109.10168	16.6
111.02090	1.3
115.05435	0.8
117.06992	4.5
119.08585	23.2
121.02893	1.2
121.10152	12.8
122.02856	0.7
123.11713	5.7
128.06175	1.8
129.07011	3.0
130.07773	1.5
131.08569	14.3
133.09137	1.1
133.10143	18.9
135.11697	17.5
137.09607	0.9
137.13280	1.3
142.07794	1.4
143.08574	8.1
144.09250	1.0
145.10138	21.7
147.11693	28.4
149.09596	1.1
149.13271	7.6
151.11189	1.5
153.01839	2.4
155.08562	0.9
156.09392	1.7
157.10123	11.4
159.11707	19.8
161.13264	27.8
163.14836	1.5
169.10088	1.1
170.10971	0.8
171.11682	8.9
172.12514	0.8
173.13283	13.4
175.14803	4.3
177.06792	5.4
183.11687	0.9
184.12511	2.1
185.13300	10.1
187.14825	9.4
189.16417	1.5
196.28276	0.8
197.13338	1.1
199.14836	17.9
199.16611	1.2
200.15578	1.8
201.16399	20.4
203.18051	1.5
211.14819	2.2
212.15726	1.2
213.05525	1.0
213.16397	21.9
214.17146	1.6
215.17966	78.5
216.18341	1.7
222.71005	0.8
225.16393	3.0
226.17178	5.8
227.18002	4.4
229.19601	2.4
231.17532	1.5
239.17934	8.1
240.18579	1.7
241.19525	1.6
254.20309	10.3
259.09641	4.7
269.22650	100.0
270.22958	1.7
287.05569	21.1
287.08908	4.2
287.23697	98.7
288.23981	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
54.22167	0.5
55.89724	0.5
56.05037	9.8
57.03434	1.8
57.31687	0.6
60.04525	2.3
60.05655	1.6
68.99818	0.9
69.03432	1.9
70.06596	13.4
70.81729	1.3
70.87190	0.5
71.05025	0.6
72.08162	4.0
73.02896	0.7
73.14435	0.6
74.06081	100.0
75.00044	0.5
81.03425	2.9
84.04510	7.9
84.08146	4.5
85.02917	1.1
86.06087	1.7
86.09709	5.1
90.44271	0.7
97.02906	2.2
98.06057	11.5
98.97591	0.8
99.04466	0.7
102.05563	4.8
103.03934	0.6
103.05484	0.6
107.04967	1.0
107.77615	0.7
108.05290	0.9
109.02884	8.0
110.07156	0.6
112.08720	1.3
115.08709	0.7
116.07095	48.5
120.06582	8.6
120.08107	0.6
121.02892	1.8
122.03194	1.1
124.07595	1.5
127.03934	4.1
129.10254	2.3
142.54852	0.6
144.06560	28.4
145.04980	1.0
147.04485	0.8
153.01796	3.2
154.02179	1.9
156.11324	0.7
159.11345	1.5
162.07645	2.4
173.32422	0.6
174.83189	0.6
175.11897	2.9
183.03001	0.6
198.06120	0.7
214.05969	0.6
228.08708	2.6
229.04782	0.6
240.00369	0.6
240.08797	1.0
246.09770	3.2
259.05579	1.1
270.09763	6.9
270.12723	0.9
288.05859	39.8
288.10535	4.2
288.17242	1.1
288.20261	8.3
289.06616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.5
54.22167	0.5
55.89724	0.5
56.05037	9.8
57.03434	1.8
57.31687	0.6
60.04525	2.3
60.05655	1.6
68.99818	0.9
69.03432	1.9
70.06596	13.4
70.81729	1.3
70.87190	0.5
71.05025	0.6
72.08162	4.0
73.02896	0.7
73.14435	0.6
74.06081	100.0
75.00044	0.5
81.03425	2.9
84.04510	7.9
84.08146	4.5
85.02917	1.1
86.06087	1.7
86.09709	5.1
90.44271	0.7
97.02906	2.2
98.06057	11.5
98.97591	0.8
99.04466	0.7
102.05563	4.8
103.03934	0.6
103.05484	0.6
107.04967	1.0
107.77615	0.7
108.05290	0.9
109.02884	8.0
110.07156	0.6
112.08720	1.3
115.08709	0.7
116.07095	48.5
120.06582	8.6
120.08107	0.6
121.02892	1.8
122.03194	1.1
124.07595	1.5
127.03934	4.1
129.10254	2.3
142.54852	0.6
144.06560	28.4
145.04980	1.0
147.04485	0.8
153.01796	3.2
154.02179	1.9
156.11324	0.7
159.11345	1.5
162.07645	2.4
173.32422	0.6
174.83189	0.6
175.11897	2.9
183.03001	0.6
198.06120	0.7
214.05969	0.6
228.08708	2.6
229.04782	0.6
240.00369	0.6
240.08797	1.0
246.09770	3.2
259.05579	1.1
270.09763	6.9
270.12723	0.9
288.05859	39.8
288.10535	4.2
288.17242	1.1
288.20261	8.3
289.06616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.6
55.53597	0.6
57.05820	1.0
60.05655	1.5
70.06595	22.0
71.50980	1.3
72.08159	100.0
74.06075	1.3
81.03435	0.7
84.08134	1.5
86.09708	35.2
103.05477	1.5
107.04955	0.7
112.08724	1.3
116.07123	2.9
118.08678	1.8
120.08101	10.8
121.02824	0.9
122.03210	1.0
129.10246	40.7
132.10214	15.7
137.02313	0.6
143.11807	14.7
153.01839	2.4
154.02162	0.9
157.09727	16.6
157.10945	1.1
158.09267	1.8
169.06424	0.6
169.13362	1.3
171.11295	2.7
175.11897	3.4
189.12341	11.6
214.63448	3.6
220.40320	0.6
232.14081	1.2
237.97961	0.6
243.06641	0.9
243.17039	0.9
255.62759	0.7
288.05853	23.5
288.20401	5.0
289.11661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1921
Annotation	Leu-Val-Gly
Peak:m/z	Relative Intensity
55.05515	4.8
57.03441	0.5
59.62428	0.5
60.05651	3.1
62.32002	0.6
62.97375	0.5
69.07076	1.2
69.65837	0.5
69.66163	3.4
70.06600	15.7
71.05018	0.7
72.08163	70.0
73.10697	0.6
74.06078	1.4
84.04515	1.1
84.08148	2.0
85.02891	1.3
86.09713	100.0
98.06055	0.7
98.21487	0.9
100.07648	0.8
100.92102	0.6
107.04957	0.7
110.02354	0.6
112.08766	1.2
116.07109	2.6
125.06020	1.0
126.06374	0.8
127.03948	1.2
129.10255	1.0
130.09792	1.4
132.95822	0.6
140.08122	0.6
141.55013	0.5
151.03899	0.6
152.04305	1.0
156.11327	0.7
158.09300	1.3
175.10808	8.7
175.11993	5.8
178.05782	1.0
185.16510	53.4
189.12376	1.3
204.05252	0.6
213.16000	18.4
225.17386	0.8
228.17096	0.8
229.15479	0.8
230.64394	0.7
271.17752	2.1
282.28033	0.5
288.06003	2.0
288.11526	2.2
288.20309	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	288.2034
Annotation	Leucylarginine
Peak:m/z	Relative Intensity
55.01880	1.3
55.05515	0.9
56.96567	8.9
57.03447	3.3
59.05016	0.6
60.05651	19.8
61.02927	4.4
61.32859	0.5
69.03422	5.3
69.07060	1.7
70.06596	100.0
70.15777	2.2
70.98114	1.7
71.04983	3.4
72.08164	2.7
73.02901	3.2
81.03395	3.0
82.99847	1.0
83.04993	0.9
83.06115	0.9
84.08147	4.0
84.96030	1.2
85.02916	8.8
86.09708	22.6
87.04497	1.7
88.01802	0.8
88.07647	1.2
88.99155	0.9
94.06526	0.6
95.00744	0.7
95.06102	0.8
96.01552	0.9
97.02357	1.3
97.02903	6.1
97.07668	1.7
98.06076	3.5
98.97596	13.1
99.04466	1.0
100.07607	0.9
101.00890	7.8
106.02880	2.0
108.04505	0.9
109.02893	0.9
110.01277	1.5
110.97574	2.1
112.07579	0.6
112.08736	12.0
112.99144	9.1
113.00883	1.0
115.02425	3.1
115.08698	3.1
116.07095	11.7
116.98602	3.1
118.02870	1.2
119.01916	8.3
120.02051	0.8
124.95573	0.8
124.99094	0.6
126.05516	4.9
127.00697	1.7
127.03992	3.1
128.98640	2.4
129.10266	1.7
130.09784	2.8
131.00195	4.3
131.01900	2.0
133.03461	3.4
137.03026	0.7
138.98094	0.8
139.03407	0.8
140.02312	3.6
140.08199	2.3
143.00172	1.2
143.01927	2.8
145.01753	1.9
145.03473	1.4
145.04930	1.0
145.09807	0.7
146.02335	1.0
146.99690	1.5
147.98621	1.7
148.03809	0.7
149.01176	1.2
149.02962	1.4
154.03847	1.2
155.02888	1.2
156.11330	4.4
157.01700	1.2
157.10873	2.3
158.09248	5.7
158.99680	2.0
160.03914	1.8
161.02940	4.1
162.03583	1.3
163.02803	1.1
163.04457	2.0
168.98073	0.6
168.99821	1.1
169.04422	21.3
169.54581	1.7
170.03305	0.7
170.99707	1.2
171.01372	0.7
171.04053	0.8
173.01331	1.2
173.02954	1.7
175.02742	1.9
175.11919	35.3
177.00763	1.3
177.04263	1.7
178.04944	25.5
178.55118	2.3
184.55220	0.8
186.99263	0.9
187.00920	1.7
187.07506	0.6
189.00760	1.6
189.02449	1.2
189.04123	1.0
189.55646	0.8
191.03955	1.7
193.00143	0.7
193.03889	2.3
196.21730	0.7
198.04712	2.7
199.00867	1.4
201.00790	1.4
202.98663	1.5
207.05190	2.1
207.07016	1.3
208.14490	0.7
211.04930	0.9
212.12761	1.1
213.23172	0.6
215.00417	1.7
217.01933	2.2
219.01836	1.2
224.08034	1.0
225.17130	1.6
225.98302	0.6
228.17026	2.3
229.15508	4.7
235.05200	0.8
237.02760	1.2
242.05382	3.0
243.06346	0.9
247.03047	1.3
253.16647	1.5
254.14980	1.6
264.96411	1.1
270.19324	0.7
271.17670	13.5
272.06543	2.1
287.97958	1.5
288.08044	0.8
288.10706	8.0
288.20313	83.8
289.20612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.7
56.05035	3.5
57.07079	6.8
60.04530	100.0
60.24617	0.8
67.05511	17.1
69.07076	11.4
70.06593	5.2
70.76119	2.2
71.04986	2.1
71.08629	2.8
72.58648	0.9
79.05493	1.4
80.55539	0.7
81.07061	18.9
83.08627	10.3
84.05430	0.8
84.07220	0.9
85.10176	1.3
86.13608	0.8
88.07650	1.5
93.07074	1.3
95.08615	21.0
97.10174	7.5
99.88112	0.8
107.04925	1.6
109.10171	8.0
111.11724	1.6
118.02897	0.8
121.16918	0.7
123.11720	3.0
226.25298	2.8
240.26875	15.7
252.26900	9.0
270.27936	72.3
271.28290	0.9
288.05856	1.4
288.25735	1.4
288.28976	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	289.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.0
56.24259	1.6
56.96567	13.7
58.93232	1.5
60.05642	5.2
60.11451	1.6
61.02917	1.7
69.03429	4.4
70.06242	3.0
70.06595	27.4
70.57836	4.0
70.98112	2.4
70.99841	4.2
71.04985	1.8
71.06921	5.6
72.08147	6.7
72.93772	2.6
73.02929	1.9
82.99838	13.0
84.08145	6.6
84.96045	1.8
85.02911	8.5
86.09719	12.7
86.99305	2.8
87.10001	1.7
94.99859	1.7
97.01411	8.2
97.02909	4.1
98.97585	30.2
101.00886	96.1
107.78833	1.5
109.02908	2.0
110.97565	4.0
112.08709	2.5
112.99165	3.6
113.00874	12.0
115.01659	2.1
115.02448	27.3
116.07059	2.6
116.98636	10.5
117.04003	2.3
117.07424	2.7
119.01927	100.0
123.45047	2.0
125.00940	2.1
126.98799	2.8
127.03902	5.4
128.98593	2.9
129.03961	6.4
131.01912	22.5
132.95866	1.8
133.03473	33.6
134.99709	2.7
137.02965	8.2
141.03946	2.0
141.85776	1.9
143.01909	37.8
144.95868	2.1
144.98053	2.0
144.99747	3.6
145.03424	8.1
147.01384	3.6
147.04979	5.1
149.02954	3.0
151.04547	3.0
154.03893	1.6
155.01880	2.9
157.03493	6.9
158.99701	2.3
159.01431	3.5
161.02968	68.2
168.99837	16.7
169.03404	2.5
171.01382	15.7
172.94322	5.4
173.02974	12.2
174.99246	2.1
175.00902	3.7
175.04445	3.5
175.11937	6.2
176.12193	4.1
177.00687	2.7
178.02895	2.0
178.04819	1.9
180.99872	1.7
185.02950	5.9
186.99301	2.1
187.00879	31.8
187.04497	5.5
189.02498	11.7
190.95364	2.9
191.02339	1.7
191.03926	9.4
196.99332	7.0
199.00923	22.5
201.00793	1.9
201.02477	7.2
203.00279	2.2
203.04001	4.2
205.01974	7.6
206.07190	1.9
207.01640	1.9
207.03514	4.4
215.00398	31.3
216.96939	3.4
217.01971	34.7
219.03517	12.5
221.04901	2.0
222.89917	4.4
223.05519	2.3
229.00047	2.6
229.01935	12.7
231.03467	3.4
233.01395	5.9
235.02986	2.4
237.02765	2.6
240.90923	4.0
246.97932	5.3
247.00824	2.8
247.03030	32.0
259.02951	4.3
264.99255	3.8
265.04016	5.9
272.17874	3.2
274.97394	3.9
277.04068	6.5
288.95337	2.1
288.98843	2.1
289.04028	13.4
289.07294	5.8
289.16443	3.1
289.20587	23.3
307.05130	12.7
307.08038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
56.94303	2.1
57.03439	2.9
61.01120	1.1
61.02919	4.0
62.44391	1.1
64.64484	1.3
69.03436	8.1
69.41051	9.7
70.06580	2.5
70.99853	4.0
71.04975	1.8
72.57381	1.2
72.93767	4.0
73.02917	3.0
81.03402	3.7
81.04526	1.5
82.99832	12.3
84.08102	2.0
85.02908	16.4
89.00889	1.6
97.01398	8.7
97.02905	7.9
98.97586	3.5
99.04427	2.1
101.00892	83.4
102.00981	1.9
113.00858	9.1
115.02442	26.6
117.03986	2.1
119.01929	100.0
119.96032	1.2
120.02046	1.8
123.53760	1.2
126.98800	2.3
127.02426	3.2
127.03931	20.4
128.98593	1.2
129.03989	9.4
129.10291	1.5
129.89255	1.1
131.01918	18.9
132.95869	7.8
133.03485	35.5
135.05035	1.5
137.02989	9.2
142.03532	2.2
143.01897	33.1
144.95857	6.1
144.99815	5.1
145.01643	1.6
145.03456	8.7
145.04753	1.7
147.01393	3.1
147.05031	7.5
149.02968	2.8
150.96919	1.3
151.04533	3.4
153.00410	1.8
153.22192	1.4
155.01872	3.2
157.03477	3.6
158.97391	2.2
159.01382	3.0
159.05072	1.3
159.56723	1.4
161.02966	47.9
162.03123	1.9
162.96976	1.9
168.95779	1.6
168.99843	16.2
171.01387	13.8
172.99434	2.4
173.03001	15.3
174.96867	9.4
175.00894	1.9
175.04578	1.9
177.02473	1.9
177.04095	2.4
179.02060	1.3
179.03996	2.4
180.99844	1.9
185.02942	4.3
186.04646	1.5
186.96962	8.8
187.00894	29.3
189.02472	14.5
191.04059	9.1
196.99323	8.3
197.02979	1.8
198.96928	2.5
199.00897	13.2
199.02577	2.5
199.05312	2.5
201.02460	5.5
203.00365	2.2
203.03978	2.5
205.01973	9.3
207.03543	4.2
208.05768	2.0
215.00374	39.6
215.03619	1.5
216.97815	3.7
217.01935	19.8
219.03583	9.3
221.05057	1.6
229.01971	11.4
231.03532	4.0
233.01442	6.4
234.98920	9.5
247.00549	1.8
247.03008	32.2
251.02425	1.3
259.03073	3.4
265.03973	5.8
267.16006	1.5
277.00287	2.2
277.03937	2.5
289.00690	1.4
289.03894	9.2
289.08939	21.0
289.12503	16.1
289.20706	2.1
293.03592	2.3
295.01065	3.8
307.05026	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	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.5
56.96571	6.8
57.03420	4.3
60.05656	3.9
61.02933	5.4
62.68426	2.6
65.88272	2.7
68.98302	3.0
69.03434	16.5
70.06593	12.7
70.53883	9.3
72.08174	5.9
73.02911	12.4
81.03429	6.1
81.04552	4.3
82.99836	14.2
84.08141	5.8
85.02915	29.5
86.03226	2.8
86.09715	3.5
87.04476	3.3
89.50691	3.1
97.01408	8.8
97.02901	12.6
98.97605	15.0
101.00888	94.7
110.97584	6.1
113.00858	8.0
115.02426	22.2
119.01935	100.0
127.02454	4.5
127.03911	31.7
127.04935	7.1
127.08659	4.3
127.09499	3.3
128.98587	4.1
129.03983	4.9
131.01907	21.2
132.95863	14.9
133.03477	31.4
137.02939	3.8
143.01901	36.9
144.95848	9.3
145.03487	13.8
145.04945	7.0
147.05084	5.7
151.80486	2.9
155.01813	6.3
157.03484	7.0
158.97533	3.1
158.99651	5.8
161.02972	44.5
168.99823	14.9
170.99815	3.9
171.01404	11.9
171.04959	3.5
173.02983	12.7
174.96935	13.2
175.11885	3.7
182.53488	3.4
185.02985	6.8
186.04684	4.6
186.96912	8.7
187.00894	28.4
187.02501	5.0
189.01003	3.4
189.02414	15.6
191.03973	16.1
196.99313	6.0
198.96936	7.6
199.00955	12.7
200.04507	4.5
201.00691	3.5
201.02402	7.0
204.22331	3.0
205.01965	8.1
207.03572	4.0
215.00430	33.4
216.98027	6.7
217.01994	27.6
219.03543	7.7
229.01949	13.0
233.01509	7.1
234.99057	10.1
247.02997	26.9
265.04028	4.0
277.00195	4.3
289.00491	3.2
289.04108	8.3
289.06476	5.6
289.08984	17.6
289.12540	22.8
289.20612	11.0
293.03391	6.5
295.01050	5.2
307.05115	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	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01868	4.4
56.96550	9.6
57.03435	6.4
61.02910	6.6
69.03439	25.4
70.06596	17.9
70.28497	9.8
70.96849	3.2
70.99866	5.8
72.08144	6.5
72.93787	7.7
73.02899	6.7
74.06094	3.1
81.03410	10.4
82.99846	7.7
84.08147	15.1
85.02909	46.0
86.09702	6.2
87.04446	5.1
91.05479	6.3
95.04977	3.1
97.01400	5.1
97.02888	24.0
98.97593	38.0
99.04504	5.2
101.00889	77.9
103.00623	3.1
107.04943	3.8
109.02871	7.4
110.97553	14.3
113.00847	9.0
115.02440	28.6
116.07090	4.1
116.98628	14.6
117.04048	3.3
119.01934	100.0
119.04900	4.3
121.01698	3.2
126.98726	4.0
127.02415	5.7
127.03927	39.0
127.04928	5.7
128.98561	8.4
129.03973	9.3
129.10208	7.4
131.01904	22.2
132.95865	18.0
133.03487	31.8
137.02950	11.1
137.06007	18.5
143.01901	25.6
144.95844	8.7
144.99785	4.9
145.01703	4.3
145.03419	12.8
145.04936	6.6
146.99609	4.6
147.01364	4.6
147.04358	9.6
147.11296	3.2
149.02954	5.1
151.04526	3.9
153.05801	3.8
157.03481	7.8
158.99684	7.2
161.01189	4.4
161.01405	4.5
161.02980	50.5
161.06548	7.3
168.99866	12.7
170.99747	4.3
171.01373	12.4
173.02946	23.1
174.96881	8.4
175.00729	3.3
175.02759	2.9
175.04471	5.3
175.11897	4.6
177.00699	3.9
177.04073	4.4
185.02931	3.9
186.96861	10.4
187.00891	29.0
187.04491	4.2
189.02448	13.5
191.03981	10.7
193.00079	3.9
196.99286	9.1
198.96811	4.6
199.00870	9.9
201.00700	5.3
201.02470	6.5
203.04070	4.6
203.07533	3.4
205.01941	11.3
208.04927	12.4
215.00354	37.0
215.07501	4.4
216.98100	3.6
217.02046	21.2
217.05441	6.0
219.01765	9.6
219.03496	13.2
219.05301	3.7
221.05022	4.8
222.89919	6.3
229.01949	16.8
229.89499	3.4
231.03593	4.3
233.01407	6.3
234.99022	10.9
235.02824	3.8
237.02817	12.4
240.90967	6.4
247.02963	31.1
262.51944	3.2
265.04102	8.3
277.03854	3.4
280.06888	4.6
289.00296	6.4
289.04044	8.8
289.06772	12.5
289.20621	10.0
295.01151	4.8
305.10818	10.0
307.05020	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	289.0707
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
58.45428	0.8
65.03938	1.9
67.01852	1.3
68.99785	3.3
69.03416	2.4
70.06598	1.7
70.88780	2.1
79.05493	1.6
81.03398	1.6
84.04533	0.9
84.08160	1.6
85.02905	2.4
86.09683	0.9
91.05482	4.5
95.01307	1.3
95.04952	2.3
97.02905	2.2
98.87065	1.0
98.97570	1.4
103.05469	3.0
105.07009	1.9
107.04959	40.3
109.10177	1.0
110.56247	0.8
110.97551	1.4
111.00803	1.0
111.04430	1.9
117.07078	0.9
119.04922	3.8
119.08506	1.2
121.02875	14.5
123.04422	1.4
125.09647	1.5
125.59061	0.9
127.03921	5.6
129.07022	1.3
129.10187	0.8
131.04950	4.7
131.08543	2.2
135.04401	2.7
139.03900	3.1
141.07010	5.2
143.08553	1.0
145.02863	2.0
145.06476	2.1
147.04417	2.3
147.08076	1.5
149.02351	78.7
153.01836	54.0
153.02858	0.8
153.07001	1.3
157.06439	1.5
159.04425	2.0
161.05905	1.0
163.03976	1.6
163.07594	0.9
166.80020	0.9
167.03403	4.4
169.06509	8.8
171.02895	1.2
173.05920	1.8
185.05925	1.3
187.03925	1.3
187.07437	2.1
195.02882	3.1
196.05113	1.2
197.06003	8.1
201.05341	0.9
214.06187	1.1
215.07037	80.1
219.01729	1.7
225.05443	1.6
237.02827	1.9
239.06990	1.9
242.05719	2.0
243.06537	100.0
244.06824	2.1
253.04881	2.1
257.08112	1.3
270.09381	0.9
271.06015	32.0
279.56161	0.9
286.50940	0.9
289.06976	4.3
289.11658	3.2
289.15167	1.4
289.18185	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
54.46321	1.0
65.03942	2.8
68.99786	3.8
69.57111	7.0
70.06595	1.5
72.08144	1.1
85.02888	1.2
91.05475	6.4
98.21414	1.6
104.82521	1.1
107.04961	26.9
119.04932	2.0
121.02854	9.6
127.03934	6.3
131.04912	1.7
131.08603	1.5
135.04420	1.1
137.03595	1.1
141.07011	5.9
144.04517	1.6
145.02940	1.6
145.06487	3.0
147.04390	3.2
147.08061	2.7
149.02356	70.0
153.01845	26.4
159.04379	1.4
159.08182	1.7
167.03397	2.5
169.06482	7.8
173.06076	1.4
187.07574	3.0
195.03006	1.8
197.05997	7.1
215.07047	79.0
225.05417	1.9
243.06552	100.0
253.05026	1.5
271.03076	1.9
271.06024	35.2
289.06741	3.9
291.58630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03938	5.4
54.50795	1.3
55.01869	2.7
55.05501	1.5
69.03428	2.6
69.07087	1.3
70.08976	1.1
70.67965	2.4
70.68285	1.8
71.04977	3.8
81.03422	30.9
81.07070	2.8
85.02910	10.5
91.05507	1.9
93.07056	1.4
95.08601	3.0
97.02902	4.5
99.04459	11.5
103.03957	13.5
105.06999	1.3
107.08627	1.8
109.02894	40.1
109.10181	1.3
115.56715	1.1
127.03926	100.0
134.56053	1.1
139.03917	1.6
145.05049	1.6
145.95732	1.1
169.04964	17.6
187.06032	1.8
229.06897	1.4
271.17133	1.4
289.05716	1.9
289.18076	3.3
289.25574	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01860	0.9
55.05503	1.5
56.05031	1.0
57.03434	0.8
65.70199	0.6
69.03436	2.6
69.07065	1.0
70.45174	1.5
70.45533	1.4
71.04996	4.6
75.38684	0.6
79.05504	1.1
81.03426	26.4
81.07072	1.8
83.01389	0.8
83.67075	0.8
85.01121	0.9
85.02917	14.1
86.62604	0.7
93.07059	1.7
95.08620	1.8
97.02903	8.6
98.21376	0.8
99.04471	11.3
102.03767	1.5
102.05547	1.4
103.03952	3.8
105.07016	1.4
107.08594	1.1
109.02888	43.4
109.10150	1.1
114.03793	1.8
115.03965	1.0
119.08604	1.2
121.10162	1.6
124.67285	0.7
127.03930	100.0
128.04292	1.3
129.04868	0.8
139.03949	1.9
145.04945	1.3
145.89442	0.8
147.11678	0.6
157.04395	0.9
157.06003	1.4
161.13255	1.3
169.04968	7.7
183.08275	0.8
187.06042	2.8
203.04878	7.2
217.06467	2.1
218.07594	0.9
229.07069	2.0
278.08942	0.8
289.08432	0.9
289.25235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03942	5.2
55.01864	2.3
69.03430	2.0
71.04979	3.4
71.27464	1.9
81.03424	33.0
85.02922	7.9
85.75691	1.1
89.41939	1.0
93.92899	1.1
97.02894	4.3
98.21191	1.4
99.04456	12.1
103.03954	17.9
109.02889	35.6
114.06768	1.2
118.44487	1.2
127.03926	100.0
169.04973	18.5
187.06015	1.2
223.55382	1.2
229.07111	3.4
289.06003	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	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03938	4.7
55.01870	3.3
57.03438	1.4
57.07072	1.9
67.05508	3.4
69.03427	2.5
69.07072	2.0
70.06597	2.2
70.24377	4.0
71.01358	1.3
71.05006	4.9
71.06914	1.2
75.53419	0.9
81.03424	28.8
81.07069	2.6
85.02914	7.7
88.07639	4.5
91.05488	2.4
93.07070	1.5
95.04966	1.1
95.08622	4.0
97.02899	5.5
99.04461	14.6
103.03949	14.3
103.05504	1.1
105.07018	1.2
106.08675	3.3
109.02890	38.3
109.10167	1.9
110.06034	1.6
111.04456	1.7
114.52186	1.0
115.05440	1.6
117.07022	2.2
127.03925	100.0
131.04974	1.3
131.08542	1.9
133.10158	1.1
137.06003	3.9
138.05547	4.6
145.06503	4.7
151.07553	1.2
155.08586	1.2
157.06522	2.2
159.08083	3.2
163.07545	1.4
169.05002	12.6
173.09631	1.4
175.07681	1.3
177.09134	9.5
183.08139	2.5
187.07542	1.8
189.09201	2.8
191.10680	2.6
197.09772	1.4
203.10724	1.8
215.10722	2.4
229.07101	4.0
229.12260	3.0
239.14328	1.3
242.24780	1.4
271.16949	2.6
288.28958	5.4
289.18057	6.8
289.29297	18.7
290.26947	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	289.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01868	0.4
56.96573	2.2
57.03425	0.9
60.04519	0.3
60.05638	0.5
61.02917	0.8
64.50909	0.3
69.03429	2.7
69.07079	0.4
70.06600	4.0
70.74661	0.5
70.74998	0.7
71.04993	0.5
72.08157	1.3
72.93783	0.5
73.02933	1.0
73.08511	0.4
73.52573	0.3
81.03420	1.7
82.56257	0.4
84.04499	0.4
84.08132	1.5
84.96030	0.3
85.02910	6.4
86.09727	2.9
87.04453	0.3
87.10046	0.8
95.01336	0.6
97.02894	3.0
98.97594	3.0
99.04447	0.7
107.04940	0.8
109.02869	1.7
110.97593	0.9
116.07120	0.4
116.98643	0.6
123.04439	0.5
127.03924	100.0
128.04233	0.7
128.98637	1.0
129.10303	0.6
130.09705	0.4
133.02843	0.7
137.05980	0.9
143.11827	0.5
145.04987	1.0
154.28415	0.3
158.99637	0.4
161.01213	0.5
162.96974	0.4
173.12881	0.5
175.11955	1.2
193.04430	1.7
202.04985	0.8
219.01756	0.8
237.02850	0.8
265.06482	3.3
272.13651	0.5
274.07080	0.5
289.06140	0.4
289.09021	1.0
289.12531	3.4
289.16241	1.1
289.20609	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	289.092
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03934	0.4
55.01865	0.5
57.03419	0.4
61.02923	0.7
67.91791	0.3
69.03443	1.5
70.06593	0.8
71.29029	0.5
72.08143	0.3
73.02900	0.3
81.03412	1.0
84.08148	0.4
85.02907	4.1
86.09703	0.8
89.70594	0.3
97.02901	1.5
105.56928	0.3
109.02898	1.3
127.03922	100.0
128.04266	1.0
145.04968	0.6
202.38364	0.3
208.59061	0.3
289.20605	0.4
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
50.04790	2.8
51.66330	3.3
53.03939	5.0
54.01960	2.5
55.05514	26.7
57.07076	6.1
60.04533	7.6
67.05510	39.0
69.03431	3.8
69.07072	36.9
69.56304	2.8
71.04992	10.9
71.51355	3.1
71.51771	5.9
77.87170	2.7
79.05494	29.2
81.07060	100.0
82.39484	2.5
83.04957	4.2
83.08630	13.4
85.06548	8.7
91.05487	28.6
93.07054	64.1
95.04974	7.9
95.08612	99.6
97.06529	12.4
97.10180	6.1
99.04449	4.9
105.07037	58.3
107.08604	60.1
109.06519	10.1
109.09472	4.7
109.10166	59.9
111.08106	9.6
111.11767	3.4
117.07040	7.5
119.08594	56.4
121.06490	4.6
121.10158	51.2
123.08071	6.2
123.11700	30.3
125.09629	6.0
127.03925	10.1
131.08614	16.3
133.10127	31.1
135.08069	6.8
135.11684	29.2
137.05936	3.6
137.09608	6.1
137.13274	4.0
139.11115	4.0
145.10136	16.7
147.11684	33.2
149.13254	20.1
151.11168	5.8
157.10158	7.2
159.11713	29.6
161.13300	29.8
163.14835	17.4
171.11649	7.2
173.13304	12.1
175.14873	14.9
177.12788	5.9
177.16466	4.3
187.14836	8.0
189.16379	9.9
197.13278	3.1
201.16359	7.7
203.18001	6.1
207.17403	4.3
211.14885	4.7
213.16388	13.4
215.17996	5.6
219.17433	3.8
227.18085	3.9
229.19496	3.9
243.20883	3.0
253.19525	3.2
271.20520	9.0
271.24197	24.6
271.26868	3.1
271.28281	3.8
289.06296	4.0
289.18619	4.1
289.21738	13.1
289.25299	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	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05494	17.9
57.07066	10.1
67.05513	42.5
69.07072	55.9
69.26312	15.2
69.26718	30.0
71.04965	5.8
79.05488	18.5
81.07063	94.7
83.08605	12.8
90.08843	5.8
91.05475	16.9
93.07057	58.3
95.04950	6.8
95.08073	7.3
95.08617	99.9
97.06528	17.1
97.10152	12.0
105.07065	36.9
107.08598	62.2
109.10162	90.4
111.11713	7.2
117.07014	6.4
119.08589	40.7
121.10155	47.7
123.11706	46.1
125.09644	5.8
127.03959	9.0
131.08539	6.9
133.10147	26.9
133.57562	4.9
135.11734	27.5
137.09641	6.6
137.13257	13.5
145.10152	17.2
147.11693	23.2
149.13278	30.5
151.11176	8.3
159.11671	15.1
161.13255	23.7
163.14862	33.4
173.13249	14.9
175.14854	14.5
177.16449	10.5
179.14258	7.3
187.14752	6.7
189.16324	8.3
191.17998	6.6
201.16290	13.7
203.17885	7.8
205.15964	5.1
215.17899	18.8
229.19658	6.1
245.22629	8.3
249.78082	5.5
271.24252	62.5
289.25281	100.0
289.28647	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	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.67831	3.1
55.05506	21.1
57.07063	11.6
60.04517	5.8
65.03938	4.5
67.05508	42.3
69.03424	8.6
69.07069	33.9
69.68465	2.8
70.13152	6.2
70.13552	6.2
71.04971	6.2
79.05495	26.5
81.07054	96.3
83.04971	6.8
83.08623	15.3
85.06535	9.9
88.41115	3.1
89.22475	3.0
91.05491	22.4
93.07042	52.7
95.04997	7.3
95.08610	100.0
97.06534	11.7
97.10168	10.7
99.04448	3.8
99.08107	5.0
105.07040	49.8
107.08585	52.4
109.06502	8.9
109.09470	4.8
109.10161	61.7
111.08102	8.3
113.09670	4.6
117.07038	5.3
119.08576	55.8
121.06496	6.1
121.10154	44.5
123.08050	6.9
123.11714	30.2
125.09638	8.7
127.03925	6.3
127.11186	3.8
129.07040	3.3
131.08571	11.9
133.02789	3.2
133.10132	30.1
135.07988	3.9
135.11697	25.9
137.09589	8.7
137.13278	7.0
143.08546	4.3
145.10124	19.7
147.11696	30.0
149.09538	3.4
149.13278	27.4
151.11159	5.8
151.14864	5.0
157.10143	6.5
159.11707	20.3
161.13271	36.3
163.14833	16.7
173.13405	6.3
175.14845	12.7
177.16406	3.6
179.14316	4.5
187.14838	9.1
189.16400	8.8
201.16417	10.3
203.17989	7.8
213.16353	5.8
215.10681	3.0
215.17964	8.8
229.19659	3.0
231.17290	3.4
231.21042	3.1
271.20770	6.5
271.24207	28.5
289.06265	3.6
289.18478	5.8
289.21722	16.0
289.25308	70.0
289.28964	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	291.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	21.4
62.98254	0.9
70.09715	2.6
71.32166	0.6
78.95646	1.9
80.94858	22.1
82.94560	1.3
84.96021	1.6
85.40450	0.6
96.92241	19.3
98.21471	0.8
98.91956	11.1
98.97596	14.3
101.00899	1.5
104.99932	0.6
110.97607	0.6
112.89613	100.0
112.99151	0.7
113.67564	0.7
114.89346	93.1
115.02400	1.0
115.03708	2.7
116.89120	7.3
116.98617	6.8
119.01935	3.2
124.99139	7.5
127.00676	1.1
129.06589	0.9
131.00142	0.8
131.01883	0.7
133.03465	2.3
134.99686	3.1
139.00723	0.6
143.00177	14.5
145.03502	1.1
151.96767	0.7
152.98611	2.0
158.94325	4.0
159.03308	1.5
161.01245	9.2
161.02954	1.7
167.00246	1.7
169.01738	2.7
170.99667	9.3
172.85220	2.1
172.92183	0.7
174.84969	0.8
178.94585	1.0
185.01256	7.8
187.02818	2.3
189.00734	10.4
191.03989	1.1
194.92009	1.5
194.99826	0.7
198.97493	2.5
201.00783	0.6
201.02455	2.2
203.02278	5.2
203.03966	0.9
205.00284	1.5
207.01813	1.5
213.00705	6.4
218.96436	1.4
219.03560	4.1
230.98308	0.9
231.01793	9.6
232.92123	0.9
245.03337	1.0
247.01176	0.7
249.02798	10.8
254.93063	1.7
263.04236	1.1
267.03867	6.5
272.93893	2.0
273.00043	1.1
273.02875	2.9
285.04962	3.0
291.03885	13.9
291.06943	19.8
291.10541	1.9
309.04898	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	291.1018
Annotation	Aurin
Peak:m/z	Relative Intensity
53.03946	0.3
54.58880	0.2
55.01865	0.7
55.05505	1.4
57.03412	0.3
57.07057	0.4
65.61192	0.3
67.05515	1.5
69.03449	1.3
69.07059	1.8
71.04966	0.3
71.24203	0.6
71.76440	0.2
79.05494	1.6
81.03400	1.0
81.07059	3.4
81.13496	0.2
83.04974	0.4
83.08616	0.8
85.02894	0.6
85.06554	0.3
91.05486	1.5
91.54416	0.2
93.07039	2.2
95.04958	1.0
95.08599	2.8
96.56960	0.2
97.06526	0.6
98.00365	0.3
98.20982	0.4
99.04438	0.5
103.05457	0.4
103.22431	0.2
105.07027	1.6
107.04978	1.0
107.08598	1.9
109.02895	0.6
109.06515	0.6
109.10175	1.9
111.04467	0.2
111.08053	0.6
115.05486	0.4
117.07024	0.5
119.04939	0.5
119.08561	1.2
121.06519	0.6
121.10107	1.6
123.08076	0.6
123.11700	0.8
125.09608	0.4
127.03893	0.9
128.06187	0.5
129.07028	0.6
131.04947	0.7
131.08574	0.8
133.06470	0.2
133.10117	0.9
135.08078	0.7
135.11720	0.6
137.09659	0.4
143.08533	0.3
145.06470	0.4
145.10150	0.7
146.07339	0.3
147.04413	1.5
147.08070	0.6
147.11665	0.8
149.09641	0.5
149.13240	1.0
151.07521	0.3
153.09123	0.2
157.06523	0.5
157.10118	0.6
159.07994	0.4
159.11670	0.5
161.09583	0.4
161.13327	0.4
163.14827	0.5
165.06967	1.2
166.07738	0.3
169.06282	0.3
169.10146	0.3
171.11676	0.6
175.11218	0.4
175.14827	0.3
178.07799	0.5
179.08557	0.7
181.06522	0.4
185.13248	0.4
187.14787	0.4
189.07065	1.2
189.12680	0.3
189.16476	0.3
190.07732	0.9
191.08553	6.4
192.09334	3.2
197.13243	0.2
201.07088	0.3
202.07777	21.2
203.08566	23.0
204.09331	1.7
205.06509	3.3
205.10155	0.5
205.12009	0.3
206.07237	0.6
210.14769	0.3
213.07024	1.6
215.08609	2.0
216.05771	0.3
217.10126	0.4
218.07190	1.1
219.08067	11.9
220.05438	0.4
220.08838	8.2
221.05972	0.6
221.09512	0.5
222.06749	1.0
229.06427	0.7
230.07283	4.3
230.09326	0.2
231.08058	36.8
232.08820	8.1
232.11148	0.3
233.06061	1.5
233.09554	1.1
234.06786	0.7
235.07559	0.6
235.11139	1.6
241.06367	0.4
242.07370	0.7
243.08078	1.1
245.09601	0.9
245.11786	0.5
247.04962	0.5
247.07555	9.5
248.08339	23.2
249.08897	0.4
258.06799	4.6
259.07550	34.7
260.08328	34.1
261.05661	0.5
261.09021	1.5
262.06100	0.3
262.07449	0.3
262.09909	2.0
263.10681	10.8
273.08990	1.0
273.15106	0.5
273.18475	0.7
274.09756	0.6
275.07034	4.5
276.07813	17.1
277.08499	0.5
278.53165	0.2
290.09518	0.4
291.10153	100.0
291.26630	1.4
292.10495	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91369	0.5
56.96569	0.8
57.03426	1.0
57.07599	0.5
58.82563	0.6
59.97945	0.5
61.02927	1.7
61.13692	0.5
66.86117	0.6
69.03427	1.4
70.06593	1.0
71.49918	1.1
73.02950	0.7
79.06916	0.6
84.17551	0.6
84.99608	0.6
85.02922	3.6
92.00941	0.6
95.01341	6.6
97.02911	0.8
101.00886	3.5
103.00657	4.6
111.00897	0.7
115.02437	1.8
115.03731	1.2
117.02172	1.8
119.01941	4.7
121.01676	6.1
129.01830	1.2
129.03906	0.7
131.01974	1.2
132.95860	2.2
133.01680	1.5
133.03482	5.7
135.03183	1.8
141.01805	3.3
143.01903	1.0
144.99860	1.4
145.01703	2.2
146.99582	1.1
147.05058	0.8
149.03065	0.7
150.96960	1.4
151.04462	0.7
155.01949	0.9
157.03578	0.7
161.02985	1.4
161.55928	0.6
163.02750	3.8
163.04553	0.7
170.99590	1.1
171.01395	0.8
172.99388	0.8
173.02983	2.2
177.03946	1.4
187.00882	1.6
189.00690	2.1
189.02335	1.1
191.02277	0.8
191.04076	0.8
193.03824	0.7
201.02477	0.8
205.02032	0.7
207.01668	0.9
215.00565	0.9
217.00160	1.8
219.01768	1.0
249.02821	1.4
259.02985	1.4
291.07199	6.2
291.10532	100.0
292.10791	0.9
309.05115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03852	0.7
58.59349	0.7
71.49961	1.0
72.97054	0.7
85.01398	1.1
95.01347	1.6
101.00889	1.8
103.00621	2.1
103.02459	1.7
106.20564	0.7
107.33124	0.7
115.02417	0.7
119.01914	1.4
121.01652	1.7
124.31244	0.7
129.04059	0.7
132.95834	1.6
133.01649	0.8
133.03471	3.2
135.03236	1.3
145.01643	0.9
145.03593	1.0
147.05042	0.8
163.02728	1.5
171.01524	0.9
173.01227	1.0
174.96690	0.9
189.00714	0.9
249.02859	1.2
291.10510	100.0
292.10898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	8.6
55.01874	14.6
55.05276	2.9
55.05515	36.2
57.03422	6.5
57.07059	5.9
59.05004	2.3
65.03929	2.9
67.05510	43.3
69.03429	8.6
69.07069	21.9
71.05000	9.1
71.51370	3.1
77.03959	2.1
79.05495	71.2
81.03403	7.5
81.07061	80.5
83.04967	8.2
83.08618	18.0
85.06531	5.4
91.05484	70.4
93.07043	51.7
95.04976	22.8
95.07998	2.8
95.08607	43.6
97.06520	5.7
97.10177	15.6
99.04440	3.0
99.08083	2.1
105.03381	3.9
105.04470	2.6
105.07033	52.2
107.04951	16.8
107.08601	33.0
109.02856	2.5
109.06525	14.9
109.10143	14.0
111.04440	2.1
111.08081	24.7
114.76205	1.7
115.05435	7.5
116.06292	2.7
117.07018	37.1
119.04934	4.6
119.08589	60.3
121.06516	19.7
121.10146	19.9
123.08066	27.8
123.11731	4.0
125.09624	15.0
128.06209	8.2
129.07018	20.3
131.04834	2.8
131.08569	42.1
132.05745	2.0
133.06506	11.8
133.10086	17.6
135.08052	19.4
135.11699	10.1
137.05920	2.5
137.09592	4.5
139.11209	3.2
139.72363	1.8
141.06967	4.9
142.07794	3.5
143.08588	28.4
145.10117	45.0
147.04442	3.1
147.08038	26.2
147.11676	8.1
149.09593	11.3
149.13242	5.5
151.07555	61.7
153.09059	2.2
155.08574	4.2
157.06461	2.2
157.10129	14.7
159.08046	4.4
159.11702	13.4
161.09630	12.5
161.13231	4.1
163.11227	10.8
165.07062	3.1
165.09148	2.1
167.08618	2.7
169.10162	2.6
171.08139	2.2
171.11681	11.3
173.09596	6.0
173.13211	4.6
175.11134	7.6
177.12590	2.3
179.10631	4.4
181.10100	3.1
185.13240	4.8
187.11217	3.8
189.11147	8.3
189.12749	16.4
191.08575	3.5
195.11676	3.3
197.11723	7.6
202.07796	13.2
203.08611	12.4
205.06499	4.0
207.13808	36.5
213.12704	4.7
213.16313	3.9
215.14337	2.4
217.12230	2.5
217.15839	3.5
219.08090	5.0
220.08765	8.9
223.13332	5.1
227.17923	4.7
231.08051	17.7
231.17493	2.9
232.08688	3.3
233.05827	2.0
237.16420	4.4
245.18971	5.1
248.08324	17.4
249.14851	9.8
255.17491	10.2
258.06854	2.4
259.07578	15.6
260.08356	16.6
263.10706	6.3
263.20035	3.0
273.18515	53.8
276.07861	12.1
285.74573	2.3
290.13483	1.8
291.10199	67.4
291.19543	100.0
291.26987	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	291.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01869	1.8
55.05502	5.0
57.07069	2.4
59.04986	2.5
62.50572	0.9
67.05507	6.8
69.03419	1.1
69.07049	3.6
69.42786	2.4
69.43204	4.1
70.06583	2.8
71.04985	3.6
79.05499	7.0
81.03424	1.8
81.06646	1.2
81.07063	12.7
83.04972	1.6
83.08615	3.1
85.02892	1.0
85.06528	1.7
88.07622	3.6
89.07953	1.5
90.89389	0.9
91.05468	7.8
91.20210	0.9
93.07042	8.7
95.04951	3.4
95.08604	13.6
97.06504	1.8
97.10158	0.9
99.04447	1.3
102.09178	2.9
103.05453	1.8
105.07026	12.2
106.07059	0.7
107.04955	5.7
107.08596	7.8
109.06530	5.9
109.10164	5.4
111.08083	18.1
115.05456	6.4
117.07014	2.2
119.08592	8.2
121.06538	2.1
121.10131	5.1
123.07200	1.8
123.08067	25.7
123.11671	2.0
125.09641	1.0
129.06978	2.1
131.04936	2.2
131.08585	5.4
133.06502	2.2
133.10132	5.0
135.08049	5.6
135.11703	3.5
137.09621	1.9
142.07742	1.1
143.06065	1.1
143.08565	2.7
145.10136	8.8
146.07253	2.8
147.04358	1.1
147.08054	2.1
147.11673	4.8
149.09621	3.7
149.13263	2.4
151.07542	67.4
157.10103	3.7
158.27171	0.9
159.07999	1.8
159.11711	3.4
161.05971	1.8
161.09648	3.0
161.13232	2.0
163.11172	2.3
165.07013	1.9
165.09077	1.2
169.10143	0.9
171.11705	4.4
173.09662	1.4
173.13219	2.9
174.10391	2.0
175.11220	4.2
177.07130	0.9
177.09076	1.5
179.10616	4.3
181.12195	1.1
185.13272	0.9
187.11156	2.7
187.14760	1.2
189.06966	1.2
189.12746	18.6
190.13254	0.9
191.08585	3.9
191.10385	0.7
191.14302	2.0
192.09349	2.6
192.11455	3.2
197.11729	7.5
197.13263	1.7
202.07765	24.0
203.08559	24.8
203.14317	1.5
204.09288	1.8
205.06448	3.4
205.12206	1.5
207.13792	41.7
213.16394	2.0
215.08531	1.8
215.14297	3.7
217.12268	1.4
218.07193	1.1
219.08022	10.0
220.08836	7.8
228.23106	1.2
229.23505	7.5
230.07339	3.4
231.08055	43.3
231.17279	1.6
232.08885	8.1
233.15370	9.4
241.06485	1.1
243.08055	1.0
247.07510	6.1
248.08328	22.0
249.18427	1.5
255.17424	2.7
258.06750	3.8
259.07544	42.0
260.08289	26.1
261.09012	1.9
262.09885	1.7
263.10721	13.2
273.09262	1.2
273.18515	6.8
273.25949	1.1
275.07077	3.6
276.07831	16.4
291.10156	100.0
291.19434	26.4
291.27158	23.6
292.10620	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.54005	2.3
53.03931	6.7
55.01879	16.4
55.05275	2.8
55.05515	45.3
57.03424	8.1
57.07077	4.9
59.04990	4.1
65.03930	4.5
65.36454	2.1
67.05186	3.6
67.05514	46.8
67.71571	2.1
69.03416	8.9
69.07071	24.0
71.04993	10.9
71.50793	2.2
71.51259	3.4
72.14111	2.3
77.03904	2.2
79.05496	76.0
81.03424	5.4
81.06599	4.2
81.07062	81.3
83.04958	9.6
83.08241	1.9
83.08633	22.0
83.29724	2.0
85.02893	2.5
85.06532	6.6
91.05488	71.1
93.07050	57.1
95.04985	23.5
95.08060	3.3
95.08617	35.8
97.06549	3.6
97.10191	17.4
98.98451	3.1
99.08056	2.9
103.05447	5.2
105.03419	2.8
105.04478	3.5
105.07037	47.6
107.04963	18.5
107.08605	34.8
108.51795	2.0
109.02824	4.2
109.05851	3.3
109.06519	20.8
109.10155	14.0
111.04402	3.4
111.08087	25.3
115.05453	6.3
116.06224	4.2
117.07023	41.0
119.04939	7.1
119.08593	62.9
121.06495	20.2
121.10156	24.0
123.08073	20.6
123.11678	4.9
125.09624	15.0
127.03914	2.6
128.06212	6.4
129.07025	20.0
130.07791	6.4
131.08578	41.1
133.06514	12.1
133.10135	21.3
135.08070	20.1
135.11688	7.3
137.09601	6.0
139.11188	2.1
141.06917	2.9
142.07776	5.0
143.08572	32.4
145.06511	3.2
145.10135	48.2
147.04420	4.9
147.08055	30.9
147.11670	9.0
149.09671	14.1
149.13223	4.7
151.07558	55.1
155.08569	2.9
156.09331	2.9
157.10110	14.6
159.08043	7.9
159.11711	13.1
161.09602	18.2
161.13268	2.9
163.11148	7.4
167.08522	2.3
169.10112	4.9
170.10910	2.3
171.08026	2.7
171.11714	10.3
173.09578	3.4
173.13348	4.1
175.11172	7.1
177.12762	3.1
179.10704	3.0
181.10075	5.1
181.12010	2.2
182.18175	2.5
185.09589	3.3
185.13235	7.1
189.11212	6.4
189.12744	17.1
191.08611	3.1
195.11697	5.5
197.11742	6.2
199.11044	2.9
199.14850	3.3
202.07774	11.0
203.08556	12.6
207.13853	30.1
207.15938	2.6
207.16632	2.7
213.12779	2.7
217.12196	3.0
217.15848	3.4
219.08078	5.4
220.08800	5.5
223.13295	3.5
227.18001	5.7
230.07115	3.6
231.08029	21.8
231.13669	2.9
232.08871	5.3
237.16365	4.5
247.07590	4.1
248.08380	16.4
249.14845	13.9
255.17410	9.5
259.07480	17.8
260.08386	17.1
263.10675	8.9
273.18515	51.9
275.07037	3.0
276.07776	10.8
291.10172	62.7
291.19528	100.0
291.26923	8.8
292.10992	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03937	1.4
55.01880	3.8
55.05511	11.2
57.03424	1.0
66.85423	0.5
67.05506	7.0
69.03418	1.6
69.07063	4.5
71.04992	0.9
79.05077	0.9
79.05499	11.6
79.05918	0.4
81.03400	2.4
81.07053	10.0
83.04962	2.4
83.08616	5.0
88.07599	0.7
91.05474	12.4
93.07044	8.7
95.04971	5.3
95.08601	5.9
96.04446	0.6
97.06512	1.1
97.10157	5.6
98.20734	1.3
105.03432	0.9
105.04485	0.8
105.07031	9.1
107.04944	4.8
107.08602	6.4
108.05726	0.8
109.06476	1.8
109.10149	2.5
111.08078	1.1
115.05440	1.6
117.06992	4.1
119.04928	2.2
119.08573	7.7
121.06499	3.0
121.10151	2.4
123.08057	2.4
125.09631	3.2
128.03026	0.6
128.06236	1.0
129.06985	3.2
131.08572	5.5
133.06476	3.7
133.10132	2.2
134.07259	1.3
135.08055	2.9
135.11688	1.3
137.09537	0.6
143.08525	2.0
145.10120	4.2
147.08043	6.9
147.11702	1.3
149.09604	2.6
157.10153	1.7
159.07994	0.6
159.11661	1.6
161.09622	2.3
161.13211	0.9
162.10365	1.3
163.11160	1.2
165.09090	1.1
171.11748	1.1
175.11185	1.2
189.11247	1.3
191.08493	2.8
192.09398	0.7
199.14960	0.6
202.07753	8.7
203.08578	8.7
205.06462	1.7
215.08496	0.9
219.08043	4.2
220.08821	4.0
223.13278	1.4
230.07245	1.7
231.08037	16.1
231.10251	1.2
232.08757	3.5
235.07443	0.7
235.11230	1.0
245.09648	0.9
247.07486	3.7
248.08324	10.1
249.14845	2.5
255.17763	0.6
258.06802	1.7
259.07556	14.7
260.08334	14.1
261.05334	1.0
261.09045	0.8
263.10675	3.6
273.18509	7.8
275.07001	2.0
276.07816	5.8
277.08386	0.7
291.10184	41.5
291.19534	100.0
292.10559	0.7
292.20023	1.6
312.01453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03924	1.1
55.01873	2.1
55.05514	9.0
57.03418	0.5
57.07067	0.5
58.09576	0.3
65.03918	0.5
67.05180	0.4
67.05507	5.8
69.03422	1.5
69.07069	3.2
69.76414	1.3
71.04980	1.4
79.05494	7.4
81.03406	1.3
81.07053	6.9
83.04978	1.1
83.08623	3.5
84.49515	0.3
91.05479	7.3
93.07049	6.5
94.04156	0.6
95.04976	3.5
95.08604	2.8
97.06519	0.3
97.10166	3.2
98.21482	0.3
103.05441	0.4
105.03367	0.4
105.04536	0.5
105.07027	6.2
105.17101	0.3
107.04960	3.1
107.08590	3.9
109.06503	1.3
109.10155	0.9
117.07021	3.2
119.04947	1.6
119.08573	5.5
120.05699	0.4
121.06515	1.9
121.10125	1.1
121.59731	0.3
123.08049	1.0
123.11702	0.4
125.09646	1.7
128.06206	0.6
129.07019	1.7
130.07774	0.8
131.08582	3.4
133.06508	4.2
133.10127	1.4
134.07283	1.1
135.08041	1.1
135.11676	0.5
137.09566	0.5
143.08583	1.7
144.09325	0.4
145.06517	0.5
145.10158	2.4
146.07303	0.3
147.08040	3.7
147.11636	0.8
149.09622	0.8
149.13353	0.4
157.10115	0.8
159.11693	1.2
161.09613	1.0
162.10381	1.3
163.11134	0.7
165.09109	0.4
171.11679	0.4
171.83577	0.4
175.11258	0.7
185.13297	0.6
189.11200	1.1
189.16673	0.3
193.68079	0.4
202.07681	0.4
203.08647	0.5
223.13341	1.2
231.08070	0.6
245.18915	0.4
249.14912	2.4
249.18532	0.7
259.07648	0.4
260.07919	0.4
263.10660	0.4
273.18509	3.9
291.10675	2.2
291.19540	100.0
292.19846	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91917	4.9
55.01868	7.3
56.96571	26.1
57.03425	18.9
61.02916	23.9
69.03436	29.6
73.02911	16.8
81.03439	6.1
84.04501	8.7
85.02905	40.3
95.01339	29.9
97.02878	24.4
98.97578	66.2
101.00876	36.6
110.01256	6.5
110.01986	5.1
110.97573	27.6
112.99129	6.7
113.00887	12.3
115.02418	10.3
116.98610	11.9
119.01850	27.6
127.03885	12.9
128.02306	10.3
128.08940	5.3
128.98604	15.3
129.01868	6.7
130.96300	11.6
131.00197	9.1
131.01881	18.2
133.03511	8.4
136.07529	11.4
141.01813	23.7
142.96339	5.5
143.00150	7.6
143.01912	72.6
145.03442	5.2
155.01866	25.1
158.99628	15.9
161.02974	73.7
163.53793	5.1
168.99803	7.1
170.99631	9.5
172.97290	13.1
173.01385	8.2
173.02960	34.5
177.00768	9.2
177.02365	6.2
177.03952	11.0
182.03387	14.9
184.97388	6.6
185.02977	13.1
186.99077	6.2
189.00737	7.7
189.02370	6.4
191.02327	6.1
191.03911	21.2
199.07811	5.3
200.04335	10.7
201.00645	7.0
203.04053	28.8
213.03343	16.9
215.00366	12.5
217.01900	6.0
219.01701	11.4
229.02017	8.1
229.12012	7.3
232.97322	5.8
232.99564	6.3
237.02803	5.5
250.05476	5.0
251.04410	14.3
293.06299	100.0
293.11188	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03319	2.1
67.29392	2.2
69.94371	6.6
69.94775	7.1
70.13094	2.3
80.44293	2.6
89.48287	2.6
98.21516	4.2
127.87119	2.4
143.01906	4.8
161.02943	5.2
175.77138	2.7
221.28983	2.4
234.38503	2.6
258.83658	2.5
263.70566	2.4
293.06238	100.0
293.95535	2.6
312.82175	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	293.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	7.9
57.03425	15.9
58.70253	2.2
60.39507	2.5
61.02932	3.0
67.05505	8.4
69.03429	13.5
69.07049	5.8
70.06575	6.3
71.01350	3.0
71.05002	32.7
71.51168	4.3
72.08143	4.6
73.02914	3.3
75.04486	11.7
79.05518	5.7
81.03410	3.8
81.07046	6.6
83.04981	27.9
84.08154	4.7
85.02908	100.0
86.09692	4.7
91.05469	7.3
93.07027	4.8
95.04961	8.8
95.08597	4.2
95.86778	2.5
97.02904	2.8
99.04449	5.1
105.07014	5.3
107.04990	5.7
107.08594	3.1
109.02874	7.1
111.04452	27.4
111.08060	3.7
111.98385	2.3
113.02398	2.4
113.06021	3.9
117.07104	2.5
117.27645	2.5
119.04844	3.0
119.08595	3.4
121.06544	3.9
123.08082	2.5
127.03898	4.2
129.05473	22.7
131.04929	6.2
133.06541	3.6
134.09650	5.4
138.83453	2.5
139.03918	2.8
145.10088	4.1
147.04410	5.5
147.06526	12.2
149.02336	3.0
149.09628	2.5
151.07520	3.2
153.05469	11.8
159.08069	5.5
159.11674	2.9
161.09656	2.4
171.06523	7.3
173.09511	2.8
177.05539	3.2
177.95097	2.3
183.06499	4.1
189.05479	3.4
201.07654	7.3
207.06540	2.9
212.09929	2.3
221.08110	2.5
239.09116	7.5
258.10602	3.7
272.31723	2.4
293.10217	3.9
293.14850	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	7.0
55.01862	8.2
55.05511	24.8
57.03424	4.2
57.07073	6.0
60.56941	2.3
65.03936	4.5
67.05508	50.8
69.03415	6.5
69.07072	31.8
71.04980	7.6
71.50932	1.6
79.05495	48.5
81.03416	10.4
81.07060	100.0
83.04969	6.8
83.08622	18.5
84.12453	1.7
86.85137	1.9
91.05489	34.9
93.07042	35.2
95.04971	24.7
95.08608	36.8
97.02882	2.1
97.06516	8.1
97.10185	4.0
98.98434	1.9
99.04446	2.1
99.08091	3.7
103.05479	10.1
105.07038	35.8
107.04955	11.6
107.08607	28.6
109.06532	27.2
109.10163	19.5
111.08064	7.0
111.91074	2.0
113.05989	2.0
117.07034	10.2
119.08585	34.6
121.06490	4.6
121.10138	18.2
123.04446	2.3
123.08086	16.6
123.11703	7.8
125.09637	5.3
129.06985	5.2
131.04927	24.0
131.08568	14.2
133.10124	25.6
135.08031	4.0
135.11690	6.0
137.05966	22.1
137.09642	9.9
139.11133	2.1
141.07019	2.3
143.08539	3.0
145.10133	15.3
147.11696	21.3
149.09608	12.6
149.13274	3.3
150.78180	2.2
151.11159	7.7
157.10159	4.5
159.11682	11.2
161.09657	2.1
161.13225	4.3
163.11157	9.8
165.12747	4.4
171.11687	2.7
173.13257	7.0
175.11223	4.6
177.12691	4.1
181.04962	2.6
183.11609	2.0
185.13251	2.2
187.11217	2.3
187.14841	4.3
189.12697	4.0
191.10658	2.8
199.14790	2.1
201.12796	3.4
201.16417	2.0
205.16011	2.8
209.11739	3.3
219.17345	2.6
223.13278	3.0
229.19559	4.5
237.11186	6.5
239.17984	5.6
247.20583	7.2
250.57259	1.9
251.16426	2.1
257.19128	9.8
275.16779	3.1
275.20081	67.7
293.07907	6.6
293.11722	4.6
293.17795	4.0
293.21078	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	2.8
55.01874	3.6
55.05521	13.7
57.03446	3.0
57.07060	1.8
67.05509	30.1
69.03435	4.7
69.07076	22.8
70.23235	6.2
71.60133	1.8
79.05504	19.6
81.07061	33.2
83.04985	6.0
83.08616	7.9
91.05484	18.7
93.07052	25.8
95.04976	10.6
95.08605	24.9
97.06509	3.5
97.10149	2.2
98.21152	3.7
103.05470	7.6
105.07037	26.6
107.04966	9.1
107.08615	16.5
109.06532	9.7
109.10175	13.2
111.08023	1.9
116.85947	1.7
117.07046	7.7
119.08607	15.6
121.06522	12.4
121.10173	8.6
123.08092	5.9
123.11752	3.4
124.53393	1.7
127.03944	2.1
129.06999	2.6
131.04921	22.4
131.08585	17.4
133.06445	1.6
133.10129	19.3
135.08083	3.7
135.11696	4.3
137.06046	1.5
137.09615	2.6
140.42346	1.8
141.96352	1.6
143.08583	3.5
145.10152	11.1
147.08038	2.3
147.11728	9.8
149.09653	6.5
149.13277	3.2
151.11174	9.1
157.10136	4.2
159.11754	6.8
161.09657	3.3
161.13283	4.0
163.11206	5.6
173.09726	2.1
173.13263	4.8
175.11130	2.3
177.12796	2.2
183.11745	4.0
187.11243	2.1
191.14375	3.2
197.13193	3.2
201.12743	3.6
213.16557	1.9
219.13831	6.8
239.17912	2.5
247.20686	2.3
257.19034	13.5
275.20090	100.0
277.56015	1.5
293.08194	4.0
293.11627	3.7
293.21094	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.47633	1.6
51.52982	1.8
53.03941	4.0
54.76149	1.8
55.01881	11.3
55.05516	29.0
56.52883	1.8
57.02288	1.6
57.03855	1.7
57.07077	4.0
62.78872	1.8
64.00839	1.7
65.03924	4.2
67.05515	27.7
67.22708	1.7
69.03423	4.1
69.06803	1.4
69.07082	20.1
70.30003	4.1
70.30396	3.6
71.04994	3.0
71.60738	1.6
74.90696	1.7
79.05502	55.4
81.03434	3.1
81.07062	29.8
83.04973	7.3
83.08630	17.6
85.06532	1.8
88.22395	1.7
91.05495	35.7
93.07055	23.2
95.04974	8.6
95.08620	17.2
97.06548	10.2
97.10175	26.7
103.05463	7.7
105.07039	40.4
107.04972	19.0
107.08607	100.0
109.06564	8.7
109.10182	11.5
111.08103	2.5
115.05452	2.2
117.07026	7.9
119.08596	20.9
121.06507	4.3
121.10166	10.1
123.08069	5.2
123.11713	4.5
125.09631	22.4
129.07013	2.2
131.04929	15.2
131.08594	10.1
133.10149	24.6
135.08054	4.7
135.11690	9.1
137.09612	4.2
143.08559	3.5
144.05751	2.2
145.10162	13.2
147.08054	3.0
147.11728	15.4
149.09645	20.6
149.13229	2.6
153.09109	2.8
153.12730	2.5
159.11649	9.0
161.13242	5.8
163.11171	5.2
163.86491	2.1
165.09131	3.1
171.11642	3.0
173.06027	2.5
173.13174	3.6
181.12318	2.0
183.11621	4.0
187.11230	3.4
189.11217	11.7
233.09738	2.2
235.07541	2.9
239.18004	5.2
247.07565	3.8
247.20592	3.7
249.08946	2.0
250.06261	1.8
257.19040	9.0
261.09085	3.1
265.08673	2.5
265.22137	2.1
275.20084	76.7
278.09097	2.2
293.08353	3.7
293.11655	15.1
293.21152	16.8
293.27652	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03957	7.1
53.04167	1.3
55.01860	5.6
55.05517	21.3
57.03444	2.7
57.07067	3.0
58.36551	1.3
62.47588	1.3
65.03951	2.4
67.05508	35.2
69.03420	2.0
69.07076	17.2
69.85528	4.0
69.85931	2.9
71.04986	3.7
79.05495	37.3
81.03426	13.6
81.07063	100.0
83.04981	6.9
83.08617	15.8
85.06556	2.9
91.05484	28.2
93.07048	24.1
95.04971	14.4
95.08617	22.1
97.06533	8.1
97.10149	2.4
98.21436	2.1
99.08092	3.0
103.05484	1.9
105.07043	27.1
107.04963	9.6
107.08604	13.9
109.06535	38.8
109.10165	7.1
111.08075	5.6
117.07008	7.2
119.08591	19.4
120.08887	1.4
121.06504	4.9
121.10163	13.9
123.08109	9.6
123.11728	3.9
125.09606	2.7
128.06070	1.3
129.07011	1.8
131.04936	4.0
131.08592	12.1
133.10152	17.8
135.08038	4.7
135.11687	5.0
135.69109	1.3
137.09619	4.7
143.08589	1.7
145.06470	2.5
145.10152	12.2
147.08072	2.2
147.11707	15.5
149.09648	9.9
149.13281	4.4
151.11191	4.8
153.09143	1.4
155.08539	2.4
157.10138	4.8
159.11710	8.8
161.13321	2.5
163.11185	9.4
163.14754	1.5
165.12836	4.0
171.11639	1.7
173.09662	2.4
173.13249	3.4
175.11218	3.8
177.12746	3.3
179.14221	2.3
187.14807	1.6
189.12753	1.4
191.14297	1.6
193.12277	2.6
197.13300	1.8
205.16118	1.7
207.13676	2.1
209.26985	1.3
215.14334	2.6
219.13832	2.2
219.17447	1.6
223.13353	1.2
229.19450	2.6
239.17958	2.5
247.20624	4.6
257.19009	7.4
275.20093	51.0
293.11688	4.1
293.21146	36.6
307.62485	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.22491	0.9
53.03946	2.8
55.01875	3.5
55.05517	13.9
57.07066	2.7
65.03940	1.4
67.05510	27.6
69.03431	1.1
69.07073	22.6
70.56502	3.3
71.04996	2.9
71.96213	1.0
79.05499	18.9
79.69290	1.0
81.03446	1.0
81.07065	33.6
83.04983	7.8
83.08625	3.6
85.06548	2.3
91.05492	17.0
93.07050	27.4
95.04977	8.9
95.08618	18.3
97.06538	2.6
97.10166	2.3
103.05447	1.8
105.07038	27.6
107.04954	8.0
107.08601	14.8
109.06525	8.9
109.10162	10.4
117.07021	6.7
119.08588	12.4
121.06519	8.6
121.10148	8.4
123.08105	4.2
123.11734	3.1
125.09646	1.2
129.07054	2.0
131.04964	2.3
131.08580	11.6
133.06514	1.5
133.10149	16.3
135.08083	3.4
135.11731	5.3
137.09608	2.7
143.08568	2.3
145.10120	9.4
147.08047	3.5
147.11699	12.3
149.09612	5.3
149.13310	2.6
151.11186	7.2
155.08595	1.4
157.10146	2.9
159.08072	1.4
159.11703	5.9
161.09650	2.8
161.13248	2.6
163.11247	4.7
165.12773	1.6
165.84731	1.1
169.10233	1.9
171.11736	3.0
173.09618	2.0
173.13300	4.0
175.11232	3.1
177.12711	1.8
183.11693	2.7
187.11243	2.8
189.12694	1.5
191.14328	2.0
197.13374	1.6
201.12709	2.2
207.13789	3.8
219.13899	5.8
229.19521	3.5
231.17453	1.8
239.17989	3.8
247.20604	3.9
251.10411	1.2
257.19000	12.0
275.20084	100.0
276.20523	2.1
293.21021	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	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	0.5
55.01870	1.7
55.05514	3.2
57.03424	0.5
57.07077	6.0
64.02199	0.2
65.03945	0.6
67.05175	0.4
67.05507	4.3
69.03424	0.5
69.07071	2.3
69.45850	1.6
70.71265	0.2
71.01341	0.4
71.04990	0.4
71.08633	1.6
72.26404	0.2
79.05068	0.4
79.05498	4.1
81.03433	1.1
81.07058	4.8
83.04982	1.6
83.08614	1.6
85.02901	0.4
85.06528	0.6
91.05484	2.8
93.07050	3.3
95.04975	8.8
95.08615	2.8
97.06538	1.1
97.10157	0.8
99.04457	0.3
99.08109	0.9
103.05450	0.3
105.07043	2.4
106.81039	0.2
107.04962	4.2
107.08591	1.9
108.05733	1.7
109.02880	0.5
109.06526	2.5
109.10163	0.8
111.04456	3.0
111.08071	0.9
117.07021	0.9
119.08588	1.2
121.06510	7.4
121.10155	1.5
122.07274	0.3
123.08048	0.7
123.11697	0.2
125.06040	1.3
125.09662	0.6
131.08563	0.9
133.10129	0.9
135.04410	0.8
135.08072	1.3
135.11702	0.7
137.02348	0.3
137.09625	0.5
139.03943	0.3
139.07529	0.4
141.09135	0.2
145.10130	1.0
147.08044	0.4
147.11708	0.5
149.09622	1.8
151.11179	1.6
153.05464	2.8
153.09088	0.3
155.03438	0.3
157.10118	0.4
159.11682	0.4
161.13277	0.3
163.03877	1.0
163.11189	2.0
164.11993	0.5
165.12761	4.3
167.10693	0.5
173.13214	0.2
177.09129	0.6
177.12791	1.4
181.04951	3.8
181.12238	0.8
187.11322	0.3
189.11226	0.3
191.10670	2.9
191.14343	0.4
195.10144	1.3
209.09769	0.4
209.11745	6.4
219.10098	1.1
223.13269	2.0
223.14877	0.2
235.07428	0.3
237.11224	13.2
237.14905	1.0
238.11363	0.4
247.07639	0.3
247.20520	0.4
265.18127	0.3
275.20078	2.8
278.09174	0.3
278.38614	0.3
293.11841	1.8
293.21118	100.0
294.21439	1.6
313.97226	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.70384	4.9
53.03935	20.4
55.01866	17.7
55.05490	19.4
57.03436	9.5
57.07061	6.2
67.05507	78.9
69.07079	38.6
69.67188	28.7
79.05489	52.3
81.03418	39.6
81.07064	100.0
83.08598	8.5
91.05489	66.7
93.07054	55.6
95.01324	10.9
95.04988	14.8
95.08625	51.2
97.06532	32.2
105.07040	76.0
107.04942	21.2
107.08598	24.6
109.06518	8.8
109.10156	20.2
110.18305	5.1
117.07008	21.4
119.08586	43.9
121.10125	16.3
123.08071	16.2
125.09637	11.7
131.08604	30.2
133.10146	40.4
135.11714	13.3
137.09607	7.2
143.08598	6.1
145.10118	26.1
147.11652	11.8
149.09573	6.5
151.11188	6.8
159.11679	12.4
161.13348	5.7
165.09032	5.9
177.12814	10.6
179.14201	5.4
201.16478	7.7
257.19107	8.2
270.95331	5.6
275.20111	51.8
293.21115	51.5
314.34274	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.56310	3.3
53.03944	6.1
55.01881	13.0
55.05513	58.2
57.03440	3.6
57.07066	4.8
59.05002	3.2
65.03951	2.8
67.05170	5.4
67.05505	50.7
69.03429	5.4
69.07066	12.1
70.76210	8.9
71.05016	4.1
79.05498	80.3
79.17270	2.8
81.07061	38.6
83.04978	18.0
83.08621	21.6
91.05475	37.8
93.07047	35.2
95.04976	10.2
95.08625	19.4
95.09147	3.9
97.06543	11.0
97.10169	32.5
97.86047	2.9
105.07046	26.9
105.86418	2.9
107.04964	42.0
107.08595	66.1
109.06535	5.5
109.10165	27.0
111.08098	5.7
117.07006	7.5
119.08583	22.8
121.06511	4.2
121.10140	20.6
123.08059	5.2
123.11727	9.1
125.09637	34.7
127.92985	2.9
129.06981	3.9
131.08594	12.0
133.10139	18.1
135.08070	6.2
135.11720	6.1
145.10156	9.4
147.11693	17.1
149.09627	89.6
149.13248	5.0
152.26529	3.4
153.09117	6.8
159.11743	9.2
161.13269	9.6
163.11208	4.2
169.12263	5.8
171.10170	4.7
173.13283	4.4
177.12802	3.0
189.11264	27.2
191.10767	3.4
202.87517	3.7
209.11577	4.1
229.19565	6.6
233.15388	4.1
237.11186	8.8
239.17986	4.3
257.19003	21.4
275.20071	100.0
277.92090	3.2
293.11423	3.9
293.21136	18.7
300.97574	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	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03947	7.2
55.01876	10.1
55.05515	31.9
57.03441	4.1
57.07080	4.7
65.03925	2.4
67.05508	55.8
69.03439	5.3
69.07073	34.9
71.04991	5.6
71.08655	2.3
71.51283	2.9
72.49316	1.8
73.44110	1.7
79.05495	53.1
81.03427	9.5
81.07063	93.4
81.39423	1.6
83.04974	9.2
83.08630	19.9
85.06575	4.2
91.05489	32.0
93.07053	39.2
95.04977	16.7
95.08064	3.2
95.08617	44.7
97.06545	17.0
97.10184	15.6
99.08121	2.4
103.05485	4.5
105.07034	38.4
107.04955	23.0
107.08596	48.5
107.09306	3.2
109.02868	2.5
109.06528	21.0
109.10155	24.2
111.08067	4.4
115.05469	2.3
117.07034	13.3
119.08581	26.3
121.06518	8.2
121.10152	17.7
123.08072	9.6
123.11737	11.9
125.09642	7.8
129.07018	2.9
131.04950	11.4
131.08597	15.7
133.06487	3.8
133.10141	21.4
135.08066	6.1
135.11702	12.6
137.09622	7.5
137.13290	3.4
139.11151	3.0
142.61951	2.2
143.08568	2.6
145.06564	4.3
145.10107	14.9
147.08023	3.3
147.11710	17.9
148.39847	1.9
149.05991	2.2
149.09641	20.6
149.13255	4.0
151.11194	5.9
155.08614	2.2
157.10202	3.9
159.11696	9.9
161.09566	3.3
161.13298	5.7
163.11212	9.5
163.14830	2.9
165.09134	7.1
165.12793	4.8
169.10184	2.4
171.11743	4.4
173.13228	8.6
175.11145	3.5
175.14848	2.8
177.12762	5.2
177.16354	2.3
183.11681	2.1
187.11176	5.5
187.14914	2.5
189.11247	4.1
189.12820	2.6
191.14301	3.3
197.13298	4.0
215.14224	2.1
229.19571	6.0
233.15408	2.6
235.07642	2.6
239.18015	6.9
247.20602	8.0
250.06244	3.4
257.19061	14.3
263.06952	2.3
275.20084	100.0
293.08029	13.1
293.11685	10.3
293.21063	32.6
293.28351	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	9.9
55.01872	15.1
55.05517	24.4
57.03429	12.4
57.07064	4.0
67.05184	3.4
67.05511	45.1
68.38128	3.2
69.03417	7.7
69.06730	4.5
69.07069	57.3
71.04992	6.4
79.05492	45.2
81.03414	12.2
81.07055	59.5
83.04977	8.4
83.08611	17.6
85.06535	8.3
91.05482	44.0
93.07050	53.0
95.04977	51.9
95.08610	39.6
97.06530	12.8
97.10159	8.9
99.08100	4.8
100.98649	3.2
103.05458	18.5
105.07033	46.1
107.04969	17.4
107.08598	57.7
109.06503	21.1
109.10155	13.8
117.07001	14.8
119.08598	33.6
121.06514	12.0
121.10146	23.7
123.08075	6.1
123.11720	7.2
125.09617	7.7
129.07072	3.6
131.04936	53.4
131.08545	21.4
133.10138	23.0
135.08057	14.0
135.11720	7.6
137.09610	9.9
139.11287	4.8
141.06967	3.8
143.08554	4.1
145.06541	3.0
145.10159	20.3
147.11679	14.4
149.05989	6.0
149.09596	18.5
151.11148	9.3
157.10068	8.2
159.07997	3.4
159.11693	18.3
161.09624	2.9
161.13316	5.2
163.11209	8.4
165.12851	3.5
167.10724	3.8
171.11697	3.2
173.13245	7.1
175.11314	3.0
177.05467	53.2
177.12773	6.1
178.06248	41.9
183.11784	3.7
185.13254	11.7
187.11197	6.9
191.06969	9.3
191.14330	5.2
201.16333	4.3
203.14340	8.4
205.12271	8.2
207.13780	3.7
215.07144	3.2
219.13910	4.3
219.17455	30.8
221.15347	7.2
233.11716	53.9
237.14868	12.0
239.18042	5.8
247.20509	5.1
257.19000	13.7
275.20078	100.0
293.07846	14.8
293.11404	9.0
293.21158	49.3
293.28317	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.47773	0.9
53.03936	2.6
55.01870	8.7
55.05270	1.6
55.05514	20.3
56.50590	1.1
57.03426	2.5
57.07078	40.0
65.03931	1.8
67.05191	1.1
67.05513	19.3
68.99773	2.7
69.03421	4.2
69.07065	11.9
69.17164	5.0
69.17587	6.8
71.01347	3.8
71.04976	2.2
71.08611	1.6
79.05490	25.6
81.03423	5.3
81.07063	18.2
83.04982	14.7
83.08622	11.9
85.02901	3.7
91.05481	16.0
93.07053	18.5
95.04969	29.4
95.08609	11.7
97.02881	1.5
97.06532	6.6
97.10178	9.1
99.04477	1.2
99.08083	1.8
103.05470	3.2
105.07039	11.7
107.04967	13.3
107.08604	19.5
109.02879	7.5
109.06506	4.4
109.10160	6.3
111.04440	18.9
111.08097	6.4
117.07011	5.3
119.08595	10.1
121.06511	4.5
121.10141	8.6
123.08068	3.7
123.11729	2.0
125.02325	2.9
125.06013	10.3
125.09639	9.9
127.07529	1.5
129.07057	1.1
131.04948	7.6
131.08577	10.1
133.06488	1.2
133.10121	7.7
135.04411	6.2
135.08046	4.5
135.11690	5.4
137.02354	2.0
137.09592	3.5
139.03877	2.1
139.07542	3.4
139.11168	1.1
143.08601	1.2
145.10127	10.3
147.08029	2.0
147.11705	4.3
149.08452	1.1
149.09621	22.3
149.13205	1.8
151.07570	1.4
151.11169	2.7
153.05470	19.0
153.09050	2.0
157.10164	1.5
159.08089	1.4
159.11708	3.7
161.09598	2.0
161.13255	1.8
163.03896	5.3
163.11183	13.2
167.10663	4.0
171.10228	1.4
171.11690	2.2
173.13286	1.5
175.07561	3.2
177.09135	3.8
177.12706	2.8
181.04955	25.8
181.12224	4.9
187.11256	2.2
189.11176	3.2
191.08928	2.0
191.10672	30.8
193.08559	1.9
195.10181	11.6
195.13840	1.6
203.07065	2.3
209.11736	62.2
215.14314	1.3
219.10178	8.9
223.13315	11.0
229.19594	2.6
237.11217	100.0
238.11632	1.4
239.18094	1.4
247.07494	1.1
247.20572	2.7
257.19080	5.9
265.17896	5.4
275.17007	2.3
275.20068	36.9
293.07877	5.1
293.11676	6.6
293.17874	3.9
293.21082	33.6
293.28180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.69060	2.7
53.03939	7.1
55.01863	10.6
55.05318	2.4
55.05520	28.5
57.03440	17.6
57.07065	9.6
61.43659	2.7
63.80217	2.9
67.05508	55.8
69.03429	4.0
69.07072	15.5
70.68723	8.1
71.04999	5.3
79.05496	44.8
81.03402	4.8
81.07064	100.0
83.04983	9.5
83.08607	10.7
85.06541	10.3
91.05493	36.2
93.07051	42.0
95.04974	15.6
95.08614	61.7
97.06542	7.8
98.63383	2.5
99.04462	5.9
102.98631	2.7
105.07037	27.2
107.04978	6.0
107.08613	23.7
109.06527	44.5
109.10155	20.9
111.04428	9.9
111.08092	4.4
116.28806	2.8
117.07037	12.3
119.08585	30.5
121.06500	5.7
121.10169	19.2
123.08051	6.1
123.11682	5.1
125.09660	4.4
129.06999	5.4
131.08577	15.9
133.06358	2.9
133.10146	20.2
135.08015	4.0
135.11699	11.3
137.09616	27.0
143.08580	4.9
145.10146	14.2
147.08022	3.4
147.11679	12.7
149.09642	9.1
149.13269	7.1
151.11215	6.3
153.12776	3.5
155.10730	3.1
159.11688	8.5
161.13231	4.0
163.11179	9.6
165.09105	3.4
165.12733	3.1
173.13268	7.5
177.12759	4.5
181.32756	2.6
193.12254	3.4
201.16414	4.6
203.14381	4.1
209.11652	4.8
219.17459	95.8
229.19385	3.8
237.11246	10.3
247.20583	8.6
257.18979	4.7
265.21478	3.9
275.20084	50.3
293.11664	10.4
293.14987	4.1
293.18283	4.6
293.21182	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.4
65.03944	0.5
69.85429	1.1
70.06602	1.5
72.08148	0.9
84.04501	1.6
84.08154	4.0
86.09711	0.9
91.05488	11.5
92.05834	0.3
96.14873	0.3
98.20808	0.4
107.04941	0.3
110.07150	0.5
119.04948	28.9
120.08092	1.0
129.10236	0.9
130.05035	2.0
130.08606	0.5
136.07587	2.4
147.04414	100.0
148.04797	0.7
161.50461	0.3
226.27364	0.3
241.32452	0.3
255.33876	0.3
275.99615	0.3
294.09653	0.6
294.18088	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83439	0.5
65.03931	0.9
70.06606	0.8
72.08158	1.3
72.62879	0.5
80.05914	0.5
84.04489	2.1
84.08144	5.8
86.09715	1.8
91.05485	12.0
106.00896	0.6
119.04954	27.6
120.08115	2.2
124.07710	0.6
129.06978	0.9
129.10225	1.7
130.05020	2.4
147.04422	100.0
147.08037	1.4
148.04807	0.7
150.07788	3.1
172.01402	0.5
216.68048	0.6
240.21602	0.6
248.12695	0.6
279.33878	0.6
294.10229	0.7
294.13272	0.6
294.18198	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1451
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
53.03947	0.6
55.01866	0.5
55.93525	0.4
56.05038	2.1
56.96566	4.7
57.03422	1.4
57.07077	0.4
59.05034	0.4
59.12061	0.3
61.02911	1.4
62.62016	0.4
67.05511	1.1
67.69150	0.4
69.03432	4.5
69.95861	1.5
70.06598	2.2
71.04988	0.5
71.95245	0.4
72.08157	1.4
72.93784	1.1
73.02932	1.8
81.03418	1.3
84.04510	24.2
84.08147	42.0
84.96049	0.9
85.02906	7.0
85.06570	0.3
86.09704	2.5
87.04482	0.7
88.04002	0.4
90.94817	0.5
91.05488	1.7
93.07052	1.4
94.16917	0.3
95.05003	0.4
97.02887	3.6
97.96802	0.5
98.97591	12.4
99.04453	0.7
99.97962	0.4
101.07141	3.1
101.10785	1.0
102.05549	0.7
102.96916	0.4
103.05473	7.2
107.04967	9.9
109.02885	0.9
110.07155	0.6
110.97573	2.1
112.07609	2.2
112.99153	0.5
116.98624	3.1
119.01842	1.1
119.04957	0.8
120.08112	100.0
121.08434	0.5
123.04466	0.5
127.03902	1.8
128.02313	0.6
128.07166	0.4
128.98598	1.3
129.10254	6.1
130.05013	33.8
130.08647	2.6
131.04918	2.2
131.96156	1.1
132.10245	0.5
132.95840	3.9
134.99680	0.7
136.07581	0.9
137.05995	2.4
137.07948	0.5
138.06255	0.4
138.39235	0.3
140.98564	0.4
141.62003	0.3
143.00137	0.8
144.95837	2.1
145.04915	0.7
146.99641	0.9
147.04454	1.6
147.07652	39.9
147.11305	2.6
148.07629	0.5
150.96939	1.3
152.98682	0.5
155.00182	0.4
156.03389	1.3
158.97517	0.4
158.99666	4.2
161.01266	0.5
161.02870	0.8
161.04623	0.5
162.96886	0.7
165.10246	3.0
166.08643	0.5
168.01808	0.4
168.03342	0.4
168.95848	0.3
170.99658	0.9
173.97194	0.8
174.04417	1.0
174.96881	3.1
177.00739	2.1
182.08124	0.5
182.99684	0.9
183.08575	0.5
185.97250	0.5
186.04393	1.8
186.96906	2.2
189.00754	0.7
189.02400	0.5
191.03920	0.9
192.97968	0.8
194.97418	0.8
198.96889	0.7
199.04474	0.4
200.04379	0.6
201.00748	1.4
203.55690	0.4
203.98177	0.5
204.02997	0.5
204.05415	0.7
204.97951	0.9
208.04961	0.5
210.96957	0.4
212.98560	0.6
213.03503	1.0
213.53571	0.3
216.98007	0.9
217.05524	0.6
219.01788	2.9
219.05054	0.4
222.03838	0.4
230.06229	0.4
234.98996	1.5
237.02869	1.3
248.11287	0.5
249.12350	0.4
253.00211	1.3
259.10834	0.6
260.09180	1.0
276.13913	0.7
276.17007	0.4
277.00198	0.5
277.11899	4.2
277.15497	2.4
294.11304	0.7
294.14517	7.7
294.18167	4.3
303.07617	0.7
312.07861	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1449
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
56.05038	9.7
66.43234	1.4
66.80095	1.3
69.07092	2.3
70.06591	6.0
71.50614	1.8
72.08157	5.4
83.06107	62.4
84.04504	66.3
84.08147	27.9
85.02895	2.8
86.09708	15.5
91.05466	3.8
97.02882	1.8
101.07137	6.7
103.05476	3.0
107.04941	10.2
108.05448	1.9
108.21917	1.5
109.02862	3.1
110.07085	1.9
118.37626	1.4
119.04945	6.2
120.08106	100.0
124.31747	1.5
129.06653	1.9
129.10243	5.7
131.04921	3.2
132.95844	1.7
136.06139	2.2
139.94780	1.5
147.04399	24.8
163.12550	1.6
166.08647	36.0
174.97009	1.9
175.44089	1.4
186.09177	5.8
191.11867	3.0
192.78883	1.7
196.71683	1.6
230.12918	3.7
230.86359	1.6
231.11304	23.3
259.10568	2.4
276.13455	53.4
277.11816	25.9
277.14743	2.5
294.14694	3.7
294.18036	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	294.1815
Annotation	Lysylphenylalanine
Peak:m/z	Relative Intensity
53.03938	0.4
54.61413	0.2
55.01867	0.8
55.05518	0.7
56.05035	3.7
56.94318	0.3
56.96566	3.0
57.03436	1.6
60.04532	0.4
61.02659	0.2
61.02921	1.7
63.27004	0.3
64.81966	0.2
64.87820	0.2
67.05508	1.2
69.03432	3.6
69.07053	0.4
70.06606	1.7
71.04988	0.3
71.50298	0.4
71.95275	0.2
72.04520	0.3
72.08159	1.3
72.93800	0.9
73.02898	1.2
74.06055	0.3
74.95371	0.3
81.03422	1.3
84.04509	1.3
84.08148	100.0
84.96014	0.4
85.02910	5.3
85.06554	0.5
85.08482	0.6
86.09708	3.6
87.03222	0.7
87.04454	0.4
88.03990	1.5
90.94823	0.4
91.05483	0.6
95.01329	0.5
97.02891	3.5
97.96804	0.3
98.97591	6.1
98.98207	0.5
99.04465	0.7
99.97927	0.3
101.00859	0.8
101.02380	0.4
101.10773	2.9
102.05537	0.2
102.09180	0.3
102.94836	0.5
102.96875	0.3
103.05480	0.5
107.04964	0.6
109.02892	0.9
110.01296	0.4
110.07126	0.4
110.97581	1.6
112.07609	0.9
112.11235	0.3
114.09207	0.6
116.98611	1.8
119.01855	0.8
119.04972	0.3
120.08112	6.5
120.97863	0.2
124.99137	0.4
127.03925	2.1
128.02306	0.4
128.98604	1.0
129.10249	15.1
130.05026	0.9
130.08647	3.0
131.01904	0.4
131.96123	1.4
132.10190	1.6
132.95848	5.3
136.07565	0.5
137.05983	1.2
137.07910	0.4
140.02327	0.3
140.98630	0.4
143.00198	0.3
143.01881	0.4
143.05748	0.5
143.96230	0.3
144.10208	0.5
144.95836	2.3
145.01707	0.3
145.04971	0.8
146.99678	0.6
147.04468	0.7
147.07660	0.9
147.11288	4.6
149.97227	0.4
150.96867	1.4
158.97423	0.4
158.99626	1.1
161.01248	0.3
161.02922	0.9
162.01796	0.5
162.96935	0.8
166.08670	0.9
166.97968	0.3
168.95856	0.3
170.97412	0.5
170.99687	0.7
173.02924	0.3
173.97243	1.1
174.01819	0.3
174.96875	3.4
174.99263	0.3
175.04436	0.3
175.33913	0.2
177.00691	0.6
182.03381	0.9
183.02336	0.4
185.97220	0.6
186.96895	3.9
188.98534	0.3
189.00748	0.5
191.02354	0.3
191.03914	1.1
192.02806	0.4
192.97963	0.6
194.97360	0.5
198.96919	0.9
200.04456	0.4
200.06131	0.4
201.00795	0.8
203.55670	0.3
203.98279	0.5
204.02946	1.0
204.97971	0.9
205.05403	0.2
210.96916	0.5
212.13022	0.3
212.98584	0.5
213.03310	1.3
214.12294	0.3
216.98000	1.1
219.01810	0.9
221.04955	0.3
223.01135	0.3
228.98015	0.3
230.13861	2.4
231.14951	0.3
234.99101	1.9
237.02823	0.7
248.14905	0.4
248.95927	0.2
253.00110	1.5
256.44339	0.2
258.13412	2.2
260.12863	0.3
270.91876	0.3
276.14508	3.5
276.17206	0.7
276.99982	0.7
277.15509	5.3
285.16232	0.2
294.11313	0.3
294.14777	0.5
294.18149	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	294.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.07058	1.2
66.04703	0.4
67.05486	0.7
69.07066	0.3
70.88929	0.4
70.89278	0.5
71.08642	1.3
79.05486	1.1
81.07060	1.6
88.07617	0.2
91.05471	0.8
94.04188	2.5
95.04971	0.4
95.08637	0.3
97.10120	0.3
105.07011	0.4
106.62078	0.2
107.04931	0.5
107.08574	0.4
109.06510	0.7
122.02761	0.4
122.03648	7.9
137.05977	100.0
138.06354	0.8
141.12732	2.7
158.15404	1.6
159.25636	0.2
170.15361	0.5
208.16496	0.3
262.11954	0.3
286.41431	0.3
294.20996	0.6
307.96609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
50.73410	0.2
54.18004	0.3
55.01867	0.3
55.05498	0.4
57.07063	1.0
65.03934	0.3
66.04739	0.3
67.05490	1.1
69.07066	0.3
71.08635	0.4
79.05498	1.3
81.07060	2.9
88.07582	0.3
90.11515	0.2
91.05482	1.1
93.07057	0.3
94.04184	2.6
95.04968	0.4
95.08601	0.4
96.70928	0.2
97.10157	0.2
105.07027	0.6
107.04961	0.7
109.06502	0.7
109.10165	0.3
120.99735	0.2
122.03652	7.6
123.11688	1.7
134.10452	0.3
137.05980	100.0
138.06319	0.6
139.37953	0.2
150.09892	0.3
153.05565	0.2
158.15395	1.4
170.15424	1.6
180.69139	0.3
192.11011	0.3
237.11270	0.3
238.11667	0.6
276.20392	0.6
294.21060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59888	0.9
55.01875	2.4
55.05507	1.2
55.93538	2.7
56.05033	3.1
56.94324	5.3
56.96572	13.2
57.03438	3.5
60.04538	1.7
60.95865	2.1
61.02927	6.3
67.05507	1.9
69.03434	17.8
69.07069	4.6
70.03922	4.1
70.06596	10.1
70.95871	6.5
71.04990	2.1
71.51217	1.0
72.08152	1.5
72.93793	17.8
73.02921	8.1
74.95363	2.5
81.03432	4.8
84.04520	4.4
84.08152	73.1
84.96080	1.1
85.02913	27.2
85.07934	1.7
85.08485	18.1
86.06052	1.5
86.09716	36.0
86.95349	2.8
87.04494	2.1
88.03983	1.3
88.96912	1.2
89.94038	1.5
90.94831	7.7
91.05507	4.9
95.01353	1.6
97.02910	15.8
98.97594	35.2
99.04462	2.9
101.00886	2.2
101.10811	2.5
102.05585	1.5
102.94813	5.2
102.96905	2.8
104.96375	2.5
107.04951	12.4
107.95074	0.9
108.95866	1.1
109.02895	4.0
110.95261	1.0
110.97598	5.7
112.99141	1.6
113.02364	1.1
114.05500	1.6
114.94810	2.9
115.02370	1.0
115.03936	1.7
116.07100	2.2
116.96387	2.9
116.98621	10.9
118.94208	1.3
119.01894	3.8
119.02996	0.9
119.04965	3.6
120.08111	14.4
120.95850	1.2
120.97907	1.1
121.08466	3.0
126.94849	1.7
127.03928	9.8
128.52612	1.0
128.96378	4.0
128.98607	4.2
129.10249	12.3
130.05037	3.1
130.08633	2.0
130.10602	2.3
131.00185	1.6
132.95851	100.0
134.99667	1.8
136.06337	0.9
136.07593	4.5
137.05988	6.9
140.96330	2.3
143.00194	1.5
143.01866	2.3
144.95842	44.4
145.04990	3.7
146.02295	1.1
146.97398	4.2
147.03371	1.2
147.04375	5.0
147.11304	3.4
150.07869	1.3
150.96895	27.9
150.98880	1.2
153.24208	1.1
154.08644	3.9
154.97946	1.7
156.95882	1.6
158.97440	9.9
158.99641	7.6
161.02945	3.4
162.96895	19.9
163.02686	1.2
163.06158	1.3
164.98592	1.4
165.05550	1.6
166.97954	2.7
168.03679	1.0
168.95842	9.1
170.97411	6.9
170.99669	2.0
174.96909	75.2
176.98489	2.3
177.00783	4.9
177.04114	3.3
179.07062	1.3
182.08189	1.6
185.03032	1.3
186.96907	65.5
188.98486	4.4
189.00713	1.3
190.96509	1.6
192.97955	12.4
192.99593	1.4
194.97411	3.2
198.96902	15.2
199.05269	1.1
200.04449	1.2
201.00667	2.2
204.97968	20.8
204.99878	1.4
205.09792	2.1
208.05013	3.1
210.96831	8.7
212.98523	1.7
213.04526	1.2
213.53633	1.9
216.97980	22.9
217.00061	1.7
217.05515	4.1
219.01846	4.4
228.97954	6.2
234.99028	38.6
235.02789	3.4
235.04778	1.1
237.02864	2.9
248.99141	2.4
251.00127	2.9
253.00099	24.2
253.02899	1.7
253.03900	2.0
255.14810	1.2
259.13687	1.3
269.01163	1.9
270.91925	1.3
271.04980	1.6
277.00043	12.2
277.11880	2.0
277.15009	1.8
278.15833	3.1
288.92896	1.5
294.18106	1.2
295.01038	8.3
295.04172	1.2
295.12839	6.1
295.18411	4.8
317.05396	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
56.05033	0.4
57.04554	1.1
67.05518	0.2
69.07060	0.5
70.06585	1.8
70.69267	0.6
71.01351	0.2
72.08171	1.0
82.04043	0.3
84.04501	1.5
84.08145	1.5
85.02913	1.0
85.08517	0.2
86.09706	1.6
91.05476	1.6
94.04053	3.4
95.04948	0.2
96.05621	0.6
97.02902	0.2
103.05456	0.4
105.07022	0.4
107.04935	0.8
109.02851	0.2
109.05135	0.4
111.88469	0.2
112.05099	0.3
117.07011	0.3
117.18077	0.2
119.03555	0.5
119.04941	1.9
120.05301	0.3
120.08099	1.7
121.02866	0.4
121.05123	0.2
121.06453	0.4
123.04432	0.3
123.06673	2.7
129.10204	1.0
131.04953	0.3
133.05124	0.8
133.06511	0.2
135.05405	0.4
136.07584	6.2
137.05960	0.3
147.04388	1.5
148.04758	1.5
148.06184	0.6
150.07751	100.0
151.03929	0.4
151.08157	0.5
159.04547	0.3
162.57021	0.2
163.03871	0.9
165.05513	0.3
166.08698	0.2
169.04980	0.4
174.96884	0.4
181.04951	2.3
187.03929	0.6
193.04926	0.4
205.05031	0.6
207.06523	0.5
213.05473	0.2
217.05032	0.2
229.04892	0.6
231.06581	0.3
235.05798	0.5
247.05994	3.5
259.06152	0.4
277.07071	0.6
277.10645	0.2
295.08386	0.5
295.11526	2.4
295.16653	0.6
307.70370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
51.02394	0.4
55.01863	0.4
55.93526	0.5
56.05014	0.3
56.94320	0.5
56.96556	1.5
57.03429	0.4
60.04528	0.4
61.02920	0.4
61.26176	0.4
63.04018	0.3
69.03434	0.9
69.07066	0.7
70.06583	1.7
70.95859	0.7
71.50977	0.6
72.08168	1.7
72.93790	1.2
73.02901	0.8
74.06061	0.6
77.03959	0.4
79.05492	0.8
81.03412	0.7
81.07033	0.5
84.04507	4.8
84.08147	4.1
85.02895	1.9
85.08469	1.0
86.09713	7.7
88.91875	0.4
90.94807	0.5
91.05468	1.2
93.07059	2.2
95.04978	0.4
97.02888	1.0
98.97599	2.0
99.04484	0.4
102.05571	1.7
103.05474	6.8
105.07027	0.5
107.04962	0.9
109.02905	0.4
110.97570	0.7
116.98601	1.0
118.06522	0.5
119.04982	0.5
120.08112	100.0
121.06493	0.4
121.08447	1.3
127.03910	0.7
128.96408	0.4
128.98605	0.6
129.10239	1.0
130.05000	2.6
131.04942	0.6
132.95847	6.2
133.02846	0.6
136.07590	0.8
137.06007	0.8
144.95840	3.1
145.04980	0.6
147.04443	0.6
148.06068	7.8
149.06003	0.6
150.07738	2.3
150.96918	2.0
158.97368	0.7
162.96922	1.3
165.05547	0.4
168.95883	0.4
174.96906	4.1
177.00606	0.4
183.17216	0.4
186.96907	2.6
188.98473	0.5
191.99687	0.3
192.97983	1.2
193.04440	1.7
198.96902	1.2
202.04968	0.6
204.98012	1.2
205.09804	0.5
209.30029	0.4
216.97935	1.1
226.70888	0.4
232.09857	0.4
234.99002	2.4
236.25572	0.4
237.02838	0.4
249.12352	0.8
253.00095	1.8
277.00195	0.6
277.11874	1.8
277.14438	0.4
295.01276	0.5
295.09616	0.6
295.12915	8.7
295.16122	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
56.05032	0.3
65.03940	0.4
67.05494	0.3
69.69968	0.2
70.06591	0.6
72.08153	0.4
74.02425	0.4
81.03410	0.2
84.04502	0.6
84.08138	1.1
84.15218	0.2
85.02909	0.5
86.09707	5.5
91.05485	26.2
92.05801	0.3
105.06982	0.2
107.04955	1.5
109.02879	0.2
109.06541	0.7
118.06559	1.1
119.04946	17.0
120.05277	0.8
120.08097	0.7
121.06495	2.4
129.10236	0.8
130.08649	0.8
131.46468	0.2
132.10205	1.5
136.07581	100.0
137.07899	0.4
147.04402	3.0
148.04755	3.3
150.07753	4.8
161.05992	0.3
174.96840	0.3
177.05615	0.2
249.16006	1.5
250.14348	0.4
278.13925	1.1
295.05988	0.8
295.11935	0.3
295.12692	0.3
295.16486	3.7
317.35483	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
65.03942	0.4
67.92974	0.2
69.03441	0.2
69.44138	1.8
74.02441	0.8
74.41810	0.2
84.08134	0.4
86.09710	4.5
86.10194	0.5
91.05486	22.8
98.20766	0.5
107.04965	0.9
109.06512	0.5
118.06532	1.1
118.42033	0.2
119.04945	17.4
120.05296	0.4
121.06504	2.7
130.08640	0.7
132.10216	2.0
136.07584	100.0
137.25713	0.2
147.04410	1.5
148.04803	1.3
148.43132	0.2
150.07761	0.4
161.10812	0.4
183.29935	0.2
186.67389	0.3
219.65036	0.2
249.16031	1.1
250.14374	0.5
278.13965	1.1
295.05981	0.3
295.16537	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	295.1905
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.03945	2.6
55.01866	8.8
55.05511	5.8
56.56138	1.8
57.07072	2.2
67.05503	10.2
68.67596	1.7
69.07053	4.6
70.89377	4.4
70.89706	2.1
75.09543	1.9
79.05497	6.9
81.07063	30.6
91.05479	5.8
93.07063	9.6
95.08613	9.5
101.58167	1.9
105.07054	2.6
107.08585	5.6
109.06528	11.3
109.10156	2.9
111.04469	11.4
119.08627	5.8
121.10153	6.9
123.08000	2.1
123.11724	2.9
125.05985	3.3
133.10130	4.3
135.08038	2.9
135.11670	3.6
137.05989	100.0
147.04390	9.1
147.11723	3.4
149.09692	2.1
151.07529	2.4
161.09616	6.1
164.86221	2.0
175.03931	24.4
175.11261	3.4
179.10622	2.7
203.17963	5.6
213.16458	2.6
221.18906	2.8
231.17465	7.3
249.18462	10.1
277.17978	36.0
295.09891	3.8
295.13269	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	295.1906
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01873	9.9
55.05507	5.3
60.74126	1.5
67.05495	6.8
69.07065	3.2
70.03509	7.1
71.08645	1.8
79.05506	8.2
79.07658	1.5
80.76469	1.4
81.06597	2.4
81.07062	34.5
82.56889	1.3
83.04993	2.6
91.05475	1.9
93.07037	5.5
95.08604	4.3
98.21529	1.6
105.07040	3.3
107.08584	2.8
109.06541	12.6
109.10174	2.7
111.04446	11.5
113.89828	1.5
119.08568	4.9
121.10145	3.2
125.05985	3.4
133.06471	3.9
133.10143	4.2
135.08006	2.7
135.11673	5.3
137.05989	100.0
137.13206	2.0
145.10109	2.3
147.11662	6.9
149.09682	3.1
151.07529	2.9
157.10123	1.7
161.09557	2.6
161.13271	3.8
163.11046	1.6
165.09137	2.3
165.12775	1.8
175.11226	4.6
203.17929	6.4
213.16426	2.8
221.19002	3.1
231.17397	8.5
249.18530	8.7
251.10672	2.7
260.87280	1.8
277.18042	40.1
277.21136	1.9
295.09641	10.4
295.23221	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03955	8.0
55.01875	42.9
55.05513	62.5
57.03437	7.6
57.07079	10.5
67.05507	96.8
69.03433	7.8
69.07072	42.3
71.04985	6.9
71.08633	33.5
72.22636	3.3
72.56268	3.1
73.14594	3.3
79.05503	53.2
81.03416	24.9
81.07059	85.3
83.04995	22.3
83.08624	37.4
83.18622	3.7
85.06544	8.1
91.05499	42.3
93.07044	61.7
95.04974	24.6
95.08619	60.0
97.06531	21.3
97.10163	18.9
99.08081	25.0
103.05453	4.2
105.07052	29.1
107.04960	9.8
107.08590	37.5
109.02899	4.4
109.06507	11.5
109.10175	37.0
111.08097	35.9
113.09649	16.3
117.07027	5.8
119.08574	20.3
121.10151	25.3
123.08062	12.7
123.11702	10.4
125.09628	14.2
129.07030	4.9
131.08571	7.7
133.06499	5.1
133.10110	23.0
135.08078	6.6
135.11699	22.7
137.09625	11.0
139.11186	10.6
143.08508	4.6
145.10051	8.4
147.11696	28.7
149.09639	9.3
149.13303	18.7
151.11191	31.0
157.10110	3.8
159.11714	6.0
161.09656	5.0
161.13242	17.8
163.11198	15.4
163.14877	7.3
165.12700	21.0
171.11723	6.6
173.13297	5.3
175.11163	7.1
175.14886	8.3
179.14359	11.9
185.13170	7.9
189.11206	6.6
199.14806	4.0
201.96686	3.7
221.15471	5.2
231.20941	3.9
235.07562	7.7
239.93712	3.4
241.19499	10.8
249.05507	4.1
249.22211	9.9
259.20648	13.0
263.07135	4.2
264.07953	4.2
267.10101	4.1
277.08826	4.2
277.21631	100.0
280.07159	4.1
295.09616	20.2
295.12906	5.8
295.22699	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	295.227
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03943	5.7
55.01867	6.0
55.05515	21.9
57.03429	4.5
57.07069	6.5
61.24034	1.4
65.03938	2.2
67.05512	45.1
68.32813	1.5
69.03432	4.1
69.07076	25.3
69.60706	9.1
70.06573	1.8
71.04997	4.2
71.08636	23.3
71.74497	1.4
74.25324	1.5
79.05500	32.4
81.03424	17.9
81.07063	36.8
83.04986	10.7
83.08633	9.8
85.06513	5.5
86.09699	2.7
91.05486	21.6
93.07053	34.6
95.04977	18.2
95.08614	26.4
97.06538	9.1
97.10157	4.9
99.08102	15.3
103.05486	2.2
103.87598	1.5
105.07032	13.8
107.04931	2.6
107.08610	18.1
108.05666	2.0
109.02847	1.8
109.06527	4.7
109.10170	15.8
111.08091	4.1
111.11725	2.0
117.07069	2.8
119.08598	11.3
121.06505	1.7
121.10156	18.2
123.08086	4.5
123.11728	4.5
125.00047	1.7
125.09663	3.2
127.04034	1.6
127.11215	1.9
129.07039	3.0
131.08575	5.2
133.06505	3.3
133.10130	8.5
135.08028	2.7
135.11697	10.1
137.05917	1.6
137.09622	9.9
139.11153	5.0
143.08571	3.6
145.06482	1.8
145.10165	4.5
147.11684	6.5
149.09645	3.0
149.13278	3.5
151.11186	21.7
153.12766	2.2
157.10161	2.6
159.11774	3.5
161.09511	1.9
161.13286	6.8
163.11165	5.1
163.14738	1.9
165.12711	2.9
171.11771	2.0
173.13252	2.4
175.14984	1.6
179.14362	7.2
184.07341	4.5
185.13333	1.7
193.12198	1.6
221.15373	4.8
241.19482	2.4
249.22061	2.8
259.20612	4.8
277.21649	79.3
295.06314	2.9
295.09686	3.8
295.13138	2.5
295.22708	100.0
296.23212	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03938	10.6
55.01877	55.7
55.05509	37.6
57.03447	27.8
57.07089	24.9
67.05195	4.9
67.05514	79.3
69.03436	4.9
69.07076	37.2
69.15820	17.4
69.16250	27.9
71.04991	4.2
71.08642	9.4
79.05499	48.9
81.03408	19.1
81.06602	5.5
81.07060	88.8
83.04973	16.0
83.08627	24.8
85.02895	10.5
85.06535	6.9
85.10172	12.6
91.05473	36.9
93.07047	47.6
95.04965	21.7
95.08607	74.6
97.06522	19.7
97.10168	13.6
99.08084	5.7
105.07040	31.6
107.04939	5.0
107.08605	35.6
109.06497	8.8
109.10164	28.1
111.08097	54.8
113.09653	7.4
117.06982	8.3
119.08592	25.8
121.10162	39.3
123.08077	12.9
123.11710	10.4
125.09599	7.8
131.08546	14.4
133.10124	22.1
134.40335	4.3
135.11673	26.3
137.09642	8.5
137.53932	4.5
139.11125	6.8
145.10135	12.5
147.11659	16.2
149.09576	9.1
149.13235	15.4
151.11205	16.9
155.52550	4.3
157.10062	7.8
159.11688	12.8
161.09561	5.2
161.13275	12.8
163.14868	7.3
165.12737	20.0
171.11652	8.3
173.13199	7.6
179.14368	6.3
185.13290	9.6
187.14864	9.2
199.14738	4.5
199.64711	4.0
205.15834	8.1
221.11609	5.8
223.16949	7.4
241.19603	8.6
259.20483	14.0
277.18442	6.4
277.21625	100.0
295.06012	7.7
295.09412	4.4
295.22806	76.5
295.31122	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	295.2271
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
54.50938	4.5
55.05520	30.0
57.07075	10.9
57.19631	4.6
62.56663	4.5
67.05514	67.2
69.03391	5.6
69.07082	23.1
71.08649	48.1
77.84661	4.2
78.22213	4.5
79.05499	60.2
81.03439	5.8
81.07066	62.0
83.04966	15.3
83.08621	20.3
83.94991	4.2
85.06568	6.2
85.96198	4.1
87.69437	4.5
91.05495	31.5
93.07059	75.8
95.04962	10.1
95.08611	46.0
97.06525	9.9
97.10190	15.9
97.21718	4.5
98.21529	12.5
99.08098	35.9
105.07052	22.5
107.04989	10.4
107.08605	35.7
109.10200	30.7
117.07052	7.0
119.08577	17.9
121.10151	35.0
130.06194	4.6
131.08580	8.0
133.10124	15.0
135.11722	54.6
137.09679	5.6
141.09148	7.3
145.10127	6.7
147.11720	9.6
149.13260	13.6
151.11180	15.5
154.22784	4.8
159.11713	7.0
161.13293	15.0
163.11241	4.7
179.14330	100.0
189.11316	4.9
193.27388	4.9
207.84186	4.9
229.44804	10.0
259.20853	5.9
277.21683	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03952	21.9
54.27008	3.4
55.01862	11.3
55.05517	40.7
57.03424	3.6
57.07067	8.2
67.05511	85.5
69.07073	54.7
70.17434	3.5
70.59579	11.1
71.08615	5.1
73.22245	3.3
79.05499	39.0
79.75253	3.8
81.03423	87.9
81.07060	67.2
83.05000	23.3
83.08617	14.7
85.06598	3.8
91.05494	27.5
93.07051	50.7
95.04968	53.0
95.08616	30.0
97.06532	7.0
97.10172	13.3
99.08042	5.8
105.07050	30.8
107.08607	34.8
109.06511	12.9
109.10157	24.5
111.08158	6.5
111.44459	3.9
119.08611	20.4
121.10156	16.0
123.11726	10.5
125.09661	11.2
133.10123	26.1
135.08054	6.4
135.11716	15.8
146.48755	3.4
147.11676	21.1
149.13249	9.4
151.11185	60.8
153.09114	6.0
161.13232	19.0
163.14844	9.6
165.12817	15.8
171.11641	8.3
175.14813	3.8
179.14243	9.2
185.13235	4.1
207.13763	7.9
221.15323	4.0
231.21150	16.8
241.19580	8.7
249.22200	10.4
259.20587	13.5
262.74875	4.5
277.21640	100.0
277.24313	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03942	8.3
54.53877	2.7
55.01867	29.6
55.05513	47.2
57.03427	6.6
57.07069	14.5
58.59011	2.7
59.05001	4.1
59.91086	2.7
61.64559	3.1
63.16798	2.8
65.03938	6.0
67.05506	89.4
69.03440	7.1
69.07068	40.5
70.12908	6.4
70.13303	8.0
71.04974	11.8
71.08642	17.7
79.05490	62.4
81.03409	12.9
81.07058	84.9
83.04970	15.0
83.08614	30.2
85.02909	3.8
85.06542	9.9
91.05487	43.7
93.07040	69.5
94.36790	3.7
95.04955	21.1
95.08611	66.7
97.06536	12.9
97.10157	16.2
99.08101	13.1
105.07022	33.8
106.08362	3.9
107.04938	3.9
107.08599	36.4
109.06500	9.4
109.10156	34.3
111.08081	35.0
113.09604	5.4
117.07029	7.9
118.96437	3.5
119.08579	22.0
121.10140	27.5
123.11703	9.1
125.09607	10.4
129.07036	6.0
131.08585	11.4
133.06374	6.6
133.10112	28.8
133.10991	3.6
134.69447	3.8
135.08089	3.9
135.11673	29.3
137.09598	8.1
139.11183	11.8
143.00838	3.1
143.08540	6.8
145.10136	8.5
147.11678	20.6
149.09659	4.6
149.13264	17.6
151.11194	18.6
153.12730	4.8
157.10127	13.2
159.11665	12.4
161.13278	14.7
163.11208	6.4
165.12758	12.5
167.61024	3.4
171.11696	8.2
175.11252	6.2
175.14886	4.5
179.14337	10.9
185.13295	4.2
189.11166	4.8
193.12312	5.7
195.13831	6.8
221.15405	4.7
231.21130	7.0
241.19649	9.3
249.22183	8.5
259.20471	19.8
277.21640	100.0
295.09796	6.2
295.22641	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	297.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14156	0.3
55.01888	0.4
56.96554	7.8
57.03448	0.7
61.02927	0.8
64.66647	0.3
69.03436	1.6
70.06598	1.3
71.50076	0.6
72.93813	0.7
73.02943	0.6
73.04749	0.4
81.03425	0.9
81.04548	1.1
84.04485	0.5
84.08159	2.5
85.02903	1.7
85.04034	0.6
88.03980	0.7
91.05463	0.7
97.02894	1.5
98.06061	0.4
98.97575	3.1
102.96854	0.4
105.07022	0.4
105.63904	0.4
107.04971	3.2
108.05307	0.4
109.02916	0.5
109.99195	0.8
110.07162	0.7
110.97589	0.7
112.07594	1.7
113.07942	0.6
114.25616	0.3
116.98631	1.2
119.01907	0.5
119.03580	0.4
119.04975	0.4
120.06255	0.3
120.08130	0.5
121.06528	0.4
122.07182	2.1
123.04436	0.5
123.07949	5.1
127.03928	1.3
128.98590	0.5
130.08685	0.8
132.95880	0.7
133.07616	0.9
136.06221	3.4
136.07558	1.7
137.05995	0.7
138.02335	0.8
139.03099	0.6
142.01784	1.0
145.07619	1.0
146.99634	0.6
147.04465	0.6
153.75807	0.4
156.03328	69.9
158.06680	0.6
158.99663	0.6
161.01198	0.5
163.07463	0.7
163.08676	6.1
165.05481	0.7
168.01880	0.8
168.03326	20.2
174.04399	60.2
176.07713	0.5
176.96942	0.5
177.00723	0.5
182.08122	0.7
182.99686	0.7
186.04393	100.0
187.04698	1.0
188.07706	0.9
190.96361	0.4
192.05452	7.6
197.05984	0.7
201.00601	0.7
204.05452	72.8
205.05838	0.7
209.06021	2.9
219.01727	0.9
222.06558	2.2
227.07082	1.2
236.99289	0.4
237.02756	0.8
237.07999	0.6
238.05563	0.4
241.08681	0.8
251.10281	0.9
255.10284	0.5
267.10199	2.3
274.06613	0.5
279.10181	31.6
283.02902	0.6
285.11331	1.0
297.11069	21.6
297.14468	9.2
299.06146	2.3
309.08405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1121
Annotation	Strobochrysin-dimethylether
Peak:m/z	Relative Intensity
55.01879	0.5
55.05516	0.4
59.05012	0.5
65.13310	0.3
65.30648	0.4
69.25190	3.5
73.08839	0.4
81.03427	0.5
81.07069	0.4
83.04993	0.7
101.95411	0.4
105.06985	0.5
107.08585	0.5
121.10183	0.5
128.99631	0.4
137.05943	0.4
137.13295	0.4
151.07556	0.7
155.08562	0.6
161.05998	0.4
165.07008	2.1
166.07776	1.9
167.08424	0.6
177.07042	0.7
178.07776	1.4
179.08528	2.2
181.06512	0.6
181.10185	0.5
183.08060	0.7
191.08545	0.7
193.06534	0.6
194.07275	7.4
195.08067	2.8
196.08640	0.4
197.05980	0.7
197.09637	0.6
199.19945	0.4
201.09189	0.7
205.06512	4.5
206.07266	2.6
207.08084	3.3
208.08818	0.8
209.09625	8.4
210.10402	1.2
211.07567	4.0
211.92288	0.4
212.08159	0.4
219.08026	1.1
220.08752	0.5
221.06013	4.8
221.09488	0.5
222.06767	8.0
223.07570	5.8
224.08163	0.5
225.09154	1.8
226.09882	2.8
233.05972	2.1
234.06816	2.7
234.08859	0.4
235.07535	3.2
236.08359	1.5
237.05440	0.7
237.09113	26.0
238.09833	3.6
239.07050	5.6
239.10674	0.5
241.12210	2.4
247.07547	1.2
248.08369	1.2
249.05365	2.2
249.09120	1.5
250.06282	4.8
251.07057	11.4
251.10547	2.4
253.08600	6.3
254.09401	7.3
264.07788	2.8
265.08606	26.7
266.09393	29.9
267.06537	6.1
267.09485	0.8
269.11752	8.2
279.10168	2.3
280.10812	0.5
281.08136	4.8
282.08878	16.3
295.09671	0.9
297.11230	100.0
298.11551	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	[4S-(4alpha,4aalpha,5alpha,8aalpha,9aalpha)]-4a,5,6,7,8,8a,9,9a-Octahydro-4,8a-dihydroxy-9a-methoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one
Peak:m/z	Relative Intensity
51.83447	4.1
52.06468	4.2
53.03938	12.9
55.01869	20.5
55.05522	25.7
57.03434	23.5
57.07078	4.5
58.12477	4.6
59.05009	7.2
61.02934	28.9
64.93975	4.6
67.05511	30.9
69.03430	45.3
69.07060	21.2
70.06586	6.0
70.88531	13.0
71.01360	11.8
71.05000	59.1
73.02906	23.4
74.31902	4.7
79.05495	34.3
81.03407	28.2
81.07059	63.9
83.04995	20.8
84.08141	4.5
85.02905	38.4
85.06547	6.3
91.05479	60.3
91.30979	4.9
93.07051	70.3
95.04945	22.7
95.08607	33.0
96.61195	4.8
97.02898	31.8
97.06528	6.5
99.04472	6.1
103.03945	16.9
103.05456	12.2
103.64589	4.4
105.07044	100.0
107.04969	17.1
107.08585	85.7
109.06499	24.1
109.10152	26.2
111.04457	12.8
111.08105	5.4
115.03980	11.7
115.05460	7.3
117.07044	26.5
119.04948	6.9
119.07816	6.8
119.08595	83.9
120.08116	55.6
121.06506	19.4
121.10162	45.5
123.04412	8.0
123.08067	28.8
123.11716	20.3
127.03963	8.9
128.06198	6.8
129.05475	10.5
129.06970	21.9
130.07773	10.5
131.08559	41.6
132.27896	4.9
133.06503	16.7
133.07501	4.8
133.10147	31.8
135.08064	20.6
135.11696	37.2
136.06221	15.5
137.05980	9.9
137.09601	13.5
137.13274	8.4
142.07780	7.9
143.08632	24.5
144.09309	6.4
145.06508	15.2
145.10136	46.8
147.08073	30.6
147.11713	25.1
149.05994	6.0
149.09612	29.0
149.13226	8.7
151.07501	7.8
151.11211	24.5
155.08528	9.4
156.09367	5.9
157.10101	9.7
159.08060	17.4
159.11691	30.0
161.09602	12.5
161.13298	14.8
163.07547	9.7
163.11151	38.3
165.12753	32.5
171.08104	8.2
171.11731	7.3
173.09601	54.6
173.13272	9.1
175.07541	8.5
175.11223	11.8
177.12750	53.6
179.10646	6.7
179.14320	6.2
181.08723	5.0
183.07924	4.6
184.94617	4.6
185.38081	4.7
187.11230	14.2
189.09033	5.2
189.12683	23.2
191.10704	23.9
191.14348	11.4
197.13245	6.6
198.10551	5.0
201.12738	15.3
203.14270	5.0
205.12270	17.4
207.13881	13.8
209.11844	6.3
215.14330	6.4
219.13812	22.3
231.13884	10.3
243.13885	22.7
243.72525	4.3
249.14815	5.9
261.14874	45.3
265.08594	7.0
279.15997	44.4
297.07712	12.5
297.11496	5.5
297.16953	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	17.5
55.01862	14.6
55.05504	21.4
57.03434	23.5
61.02918	15.1
67.05514	32.1
69.03150	4.4
69.03436	53.3
69.07035	13.4
70.06597	9.2
71.04982	15.0
73.02902	14.3
79.05498	31.7
81.03428	27.8
81.07068	62.1
83.01346	5.1
83.04976	20.8
85.02914	70.7
85.06542	7.0
87.04461	5.6
91.05492	45.6
93.06493	5.7
93.07053	100.0
95.04983	25.8
95.08142	5.0
95.08621	48.5
97.02892	40.7
97.06541	11.8
98.20745	12.6
99.04444	19.4
99.13297	4.3
101.02412	5.1
103.03929	14.8
105.07039	68.2
107.04944	14.1
107.08595	83.4
109.02863	16.3
109.06517	14.3
109.10184	32.3
111.04450	13.7
111.08057	4.9
115.03941	9.8
117.07035	18.0
119.04947	15.2
119.08585	51.6
120.08073	6.7
121.02971	7.3
121.06504	15.1
121.10155	73.3
123.04419	13.2
123.08093	7.7
123.11722	17.1
125.05974	11.8
127.03938	13.1
128.55975	4.3
129.06979	6.1
130.07860	6.1
131.08585	25.4
133.10156	54.6
135.08076	13.6
135.11700	93.0
136.06229	5.3
137.09615	14.4
142.07658	6.7
143.08575	13.3
145.04968	12.0
145.10089	34.2
147.04424	28.3
147.08025	9.7
147.11667	51.1
149.02368	5.8
149.05995	6.4
149.09575	9.3
149.13252	9.7
151.07521	5.3
151.11177	14.4
153.12784	22.8
155.08551	6.8
157.10083	11.3
159.08037	5.7
159.11711	21.8
159.40042	4.9
161.13382	8.9
163.11177	16.6
165.06975	6.3
165.12703	11.6
166.07787	6.1
169.10187	6.2
171.11584	9.2
173.09656	6.8
173.13191	9.2
175.11249	11.2
177.01851	54.0
177.12712	22.5
183.11685	6.1
189.12744	17.8
191.08481	5.8
191.10669	5.3
194.07254	11.6
201.12819	14.3
205.06514	9.8
211.91832	4.5
215.14415	8.4
219.07936	5.5
219.13876	8.0
222.06883	9.1
231.13847	6.3
233.15515	5.8
237.09125	18.0
243.13777	20.7
261.14874	38.5
265.08606	32.5
279.15979	43.7
282.08859	7.7
292.61288	4.9
297.07791	39.7
297.11423	50.8
297.16937	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.05512	14.8
57.03429	5.6
66.33687	2.3
67.05509	76.1
69.07067	13.9
79.05498	71.8
81.06592	5.1
81.07060	85.9
83.04996	3.6
83.08618	6.7
85.06528	3.4
91.05479	44.3
93.07049	92.3
95.04996	4.1
95.08614	85.2
97.06509	9.2
97.10160	4.5
98.20634	4.2
99.08044	4.0
105.07038	36.9
107.08601	74.6
109.06508	6.1
109.10172	27.6
111.08055	6.1
113.09650	4.2
117.07030	10.4
119.08600	27.4
121.10150	57.2
123.08060	6.1
129.07001	4.5
131.08586	36.3
133.10110	9.4
133.19467	2.5
135.11688	10.1
135.33206	2.3
137.09615	3.0
143.08554	3.9
144.08125	2.8
145.10121	42.9
147.11676	4.6
153.81137	2.8
159.11768	14.0
161.13237	6.7
163.14883	2.8
177.12778	2.4
177.16354	9.5
187.14828	100.0
189.16394	6.3
205.15875	46.7
279.19586	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	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03970	2.9
55.01878	3.4
55.05517	14.8
57.03422	6.1
57.07084	16.4
67.04072	3.0
67.05507	45.0
69.07069	20.3
70.56008	2.8
71.08636	100.0
72.55917	2.8
79.05497	24.3
81.07063	65.2
83.04973	6.8
83.08629	15.0
85.06546	4.0
91.05491	20.5
93.07054	21.7
94.00835	2.5
95.08058	4.9
95.08614	53.3
97.06520	5.5
97.10162	7.6
98.20730	7.2
99.08104	79.7
105.07053	19.4
107.08587	24.3
108.87022	2.6
108.88657	2.5
109.10175	20.0
111.08080	6.2
117.07003	4.5
119.08583	17.6
121.10155	21.3
123.08073	2.9
123.11713	7.8
125.09637	3.8
127.11247	4.4
131.08551	9.1
133.10121	7.8
135.11707	13.7
137.13301	7.6
138.39522	3.0
141.79507	2.5
144.08070	8.2
145.10120	14.1
147.11699	43.7
149.09615	3.7
149.13297	6.5
151.07565	4.1
151.14899	2.9
153.12776	8.0
157.10161	7.7
159.11714	11.6
161.13283	7.3
163.11179	10.9
163.14888	13.2
165.12721	19.9
169.12218	11.1
171.11711	7.0
173.13266	10.8
174.31200	3.1
181.15874	7.9
185.13226	5.1
187.14842	5.1
193.10086	2.8
199.14801	4.7
201.16382	4.1
211.14873	3.0
221.15907	2.8
228.97188	2.9
243.21089	15.0
261.22177	21.0
279.23239	54.6
280.23773	4.5
297.18945	8.2
297.22290	12.0
297.25623	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	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
51.34381	1.5
53.03950	3.0
54.72337	1.4
55.01856	5.6
55.05274	2.0
55.05515	28.3
57.03413	5.0
57.07058	5.6
59.04999	1.8
65.03950	1.3
67.05507	81.9
69.03410	3.4
69.07069	45.5
69.28891	1.3
69.29218	13.7
71.04992	8.6
77.76733	1.4
79.05494	30.5
81.03410	4.0
81.07059	100.0
83.05003	8.4
83.08622	16.5
84.45162	1.6
85.06525	6.5
91.05495	13.0
93.06492	2.9
93.07045	43.0
95.04956	4.0
95.08611	86.8
95.95172	1.4
97.06530	9.0
97.10156	11.4
98.20776	2.1
98.21432	3.8
99.08089	2.2
105.07031	10.1
107.04955	3.3
107.08600	23.0
109.02850	5.3
109.06474	2.7
109.10164	47.5
111.08079	2.1
111.11706	3.3
117.06989	3.7
119.08574	10.0
121.06458	2.5
121.10145	24.0
123.08018	3.7
123.11714	20.6
123.70079	1.4
125.09607	3.4
128.06189	1.9
129.06990	1.9
131.04874	2.0
131.08578	11.7
133.10135	9.8
135.08075	2.3
135.11696	16.2
137.05965	2.0
137.13275	9.2
139.11157	3.1
145.10153	7.6
146.93372	1.5
147.11678	10.4
149.09648	2.5
149.13278	9.3
151.07605	1.9
151.11157	2.5
151.14789	2.5
153.06996	2.0
159.11755	3.7
161.13228	10.8
163.14760	4.3
165.07001	4.8
165.12732	2.5
166.07777	3.9
167.08582	3.2
171.04384	5.3
173.11876	1.5
173.13290	8.4
175.14874	3.4
177.16402	2.7
178.07814	2.2
179.08527	4.2
179.14384	3.0
181.06465	2.7
181.12151	1.6
187.13284	2.8
187.14822	6.0
189.16408	1.8
194.07281	11.3
195.08032	4.1
195.13806	1.8
201.16411	3.1
205.06526	7.9
207.08047	4.1
209.09607	8.4
209.15273	2.0
211.07538	4.5
221.06042	4.4
222.06708	10.1
223.07449	5.4
233.05986	2.0
234.06691	3.1
235.07622	2.0
236.08371	2.6
237.09113	27.0
239.07072	4.6
240.09021	2.5
241.12030	2.5
243.21103	11.8
247.07404	1.6
248.08421	2.0
250.06224	4.9
251.07019	11.7
253.08615	4.9
254.09306	6.9
261.22131	26.3
264.07874	1.7
265.08591	29.9
266.09369	20.0
267.06604	3.9
267.10034	1.7
267.71854	1.7
269.11649	6.7
279.06595	3.0
279.23209	89.7
281.08102	3.9
282.08902	13.3
297.07663	9.8
297.11191	80.5
297.24802	5.9
298.11612	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2426
Annotation	 [R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
Peak:m/z	Relative Intensity
53.03942	3.7
55.01880	4.1
55.05517	32.0
57.03437	2.8
57.07075	3.8
59.04982	1.7
65.03951	2.7
67.05513	84.3
69.03436	2.4
69.07074	42.2
70.05531	6.0
71.05000	16.0
73.06576	1.7
79.05502	34.2
81.03436	2.0
81.07064	100.0
83.04969	2.9
83.08633	15.7
83.40557	1.5
85.06549	11.4
91.05466	12.7
93.06483	2.7
93.07053	36.3
95.04996	2.2
95.08617	94.6
97.06533	10.6
97.10167	12.7
99.08080	2.8
105.07034	9.0
107.08616	22.2
109.06524	2.2
109.10169	40.1
109.68599	1.6
111.08076	2.8
111.11741	3.2
117.07007	3.2
119.08585	14.7
121.10152	22.7
123.08083	2.6
123.11713	16.1
125.09647	3.3
125.26819	1.5
131.08586	6.5
133.06648	1.6
133.10143	8.5
135.08012	1.7
135.11711	16.8
137.09651	2.1
137.13264	7.9
137.91336	1.7
139.11182	3.6
142.73445	1.4
145.10130	6.2
147.04343	1.7
147.11707	9.1
149.09650	2.9
149.13275	6.1
149.22244	1.7
151.11230	2.8
151.14873	2.0
157.19382	1.5
159.11703	5.6
161.13271	7.4
163.11176	2.3
163.14836	3.7
165.07004	1.6
165.12737	5.2
165.54070	1.8
167.08591	1.8
171.04431	3.0
173.13313	4.1
175.14871	2.8
179.14334	3.0
187.14882	3.2
194.07291	2.5
195.13823	1.8
201.16504	1.9
209.15257	2.3
223.16968	3.1
237.05649	1.6
243.21135	9.8
261.22186	28.4
279.23218	66.9
297.07733	4.9
297.11322	6.3
297.24384	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	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03927	2.5
55.01867	7.7
55.05272	3.0
55.05514	44.8
57.03428	8.3
57.03680	1.9
57.07084	21.6
67.05507	56.8
69.03445	4.7
69.06734	2.7
69.07078	35.7
69.26555	10.7
69.26980	9.3
71.01344	8.2
71.04980	6.0
71.08629	24.0
75.36946	2.0
79.05498	25.2
81.03390	2.2
81.06590	4.2
81.07062	66.7
83.04975	4.1
83.08628	21.3
85.06543	4.7
91.05479	8.8
93.07048	20.8
95.08616	52.4
97.06528	9.2
97.10187	27.4
99.08082	5.6
105.07030	5.5
107.08598	21.9
109.10165	36.9
111.08090	2.7
111.11767	2.9
117.07023	2.9
119.08588	7.0
121.10164	15.9
123.11726	11.1
125.09642	16.5
131.08569	5.5
133.10133	3.7
135.08017	3.7
135.11674	17.9
137.13266	8.1
141.12758	9.6
143.08499	2.3
144.08067	7.7
145.10165	4.0
145.73129	2.5
147.11685	6.9
149.13234	5.2
153.12750	7.0
159.11670	5.4
161.13249	4.0
163.14857	3.7
165.12746	2.5
169.15898	14.4
171.10005	2.0
173.11787	4.5
173.13202	3.4
183.13823	100.0
187.14850	2.6
189.11252	7.7
229.05099	2.0
233.22719	2.3
243.21146	6.1
251.23700	21.4
261.22134	18.4
279.23224	44.7
287.13602	2.1
297.18811	6.7
297.21948	3.8
297.25705	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	297.9913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06976	0.7
56.96302	0.8
56.96565	8.1
71.01938	1.7
71.95261	2.2
78.48814	0.8
85.04812	0.6
98.65913	0.6
98.97588	100.0
101.00864	0.7
116.98627	30.6
130.93365	0.8
134.22952	0.7
134.99683	5.0
140.00197	1.1
172.94389	5.0
174.03256	0.7
190.95442	1.7
201.00966	0.8
214.95508	3.1
219.01965	1.1
220.02179	0.9
230.98761	0.8
232.96400	4.7
243.02069	1.0
244.03242	0.8
250.97610	1.4
256.96347	17.0
261.02985	5.0
273.95480	1.0
274.97519	68.4
280.38773	0.7
292.98560	29.9
297.99225	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
57.03431	0.2
57.22013	0.1
61.00846	0.3
61.01152	4.8
64.57907	0.1
67.23997	0.2
69.03407	0.2
70.56116	0.4
70.93691	0.2
75.02713	2.2
85.27637	0.2
92.02479	0.2
94.04053	0.4
97.02906	1.6
103.02181	0.3
119.03561	1.1
136.06194	100.0
137.04538	0.3
137.06615	0.2
145.03177	1.4
163.04250	1.2
183.52101	0.2
223.02448	0.2
298.09695	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	299.0916
Annotation	5,7,4'-Trihydroxy-6,8-dimethylisoflavone
Peak:m/z	Relative Intensity
53.03943	0.9
53.77271	0.7
55.01874	3.9
55.05502	2.1
57.07062	0.8
67.05491	2.6
69.07063	1.2
70.10612	2.7
77.36216	0.8
79.05511	1.6
81.07053	4.8
83.08578	1.2
91.05471	1.4
93.07029	2.6
95.08618	4.0
98.18549	0.8
105.07025	2.8
107.08580	2.5
109.06499	1.2
109.10150	2.4
115.05359	0.7
119.08551	2.5
121.10101	1.4
131.08527	1.6
133.10127	1.3
135.11757	1.2
140.06206	0.9
141.06966	1.4
145.10136	2.1
147.11678	1.1
152.06168	5.3
153.06978	3.2
155.04849	0.9
155.08568	1.0
157.06494	0.7
157.10071	1.4
159.11688	1.1
161.09579	0.9
161.13184	0.9
165.06984	7.2
166.07782	1.7
167.04932	3.5
167.08621	1.7
168.05693	5.5
169.06439	1.7
170.07335	1.2
171.11662	1.4
179.08562	1.6
180.05675	2.7
181.06537	5.4
182.07251	9.4
183.04433	1.9
183.08070	2.2
185.05922	2.3
192.05688	2.9
193.06517	2.7
194.07239	3.9
195.04381	5.2
195.08026	3.6
196.05185	3.8
197.05983	1.6
197.09552	1.4
197.13333	1.2
198.06758	5.5
199.14891	1.0
206.16061	0.8
207.04492	1.7
208.05209	3.0
209.05977	3.4
210.06758	24.9
211.07481	3.1
212.04564	1.1
213.05508	10.1
213.16296	1.0
214.06187	1.6
221.06050	1.8
222.06789	1.3
223.03871	2.3
223.07465	3.8
224.04622	1.0
224.08301	1.3
225.05447	2.6
225.09094	16.2
226.06247	4.4
227.07022	1.8
228.07748	7.0
235.07426	1.2
237.05486	1.7
238.06213	10.4
239.06958	1.8
241.05003	5.0
241.08669	7.3
248.04677	1.0
249.05423	2.1
250.06296	2.0
251.03363	3.5
251.07007	1.0
252.04233	1.1
253.04706	1.6
253.08601	41.6
254.05797	1.1
256.07294	18.0
257.08020	2.4
265.04950	1.5
266.05814	5.9
267.06445	1.0
268.07391	1.3
269.04410	1.4
269.08124	2.8
271.09650	56.8
281.08090	100.0
282.08517	2.0
284.06824	8.5
299.09119	53.3
299.16449	1.8
299.19989	4.6
299.23584	2.2
299.27151	1.0
300.09338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0915
Annotation	2,8-Dimethoxy-7-hydroxy-3,4,-methylenedioxyphenanthrene
Peak:m/z	Relative Intensity
52.11415	0.5
55.05497	0.8
67.05502	0.8
68.99773	1.0
69.07060	0.7
81.07050	0.6
94.89879	0.6
95.08614	1.0
98.20793	1.2
109.10151	0.6
115.00000	0.5
115.05475	0.6
116.06198	0.7
118.11877	0.5
119.08524	0.6
121.10186	0.6
128.06224	1.6
128.97707	0.6
129.06998	2.4
140.31604	0.5
142.04170	1.0
144.05695	1.7
149.13181	0.7
151.07520	1.6
152.06169	1.1
153.07063	0.8
155.04892	1.2
155.06050	0.8
156.05679	1.8
157.06488	0.7
158.07368	0.6
159.04344	0.7
159.08058	0.9
160.05205	1.0
161.05908	0.6
168.05701	1.9
169.06453	1.3
171.07959	0.7
172.05205	2.0
176.04671	2.2
181.06459	1.1
183.08066	1.1
185.05881	1.3
187.07559	7.0
188.08228	1.0
191.07043	4.2
195.08002	1.2
196.05226	0.8
196.08772	0.7
197.06007	1.9
198.06847	0.9
200.04733	1.4
205.08629	5.4
210.06802	1.3
211.03906	1.0
211.07545	6.5
212.08351	3.0
213.05432	4.6
215.07027	50.1
224.04547	0.8
225.05368	0.6
225.09065	1.2
226.06255	1.6
227.07043	2.0
228.07832	2.3
229.01215	0.7
238.06366	1.5
239.06998	5.6
240.07767	2.0
241.04950	19.5
241.08664	1.6
243.10237	0.9
252.04326	0.6
253.04968	0.9
253.08556	1.3
255.06580	2.6
256.07306	34.5
267.06598	3.2
268.07224	1.6
269.04285	0.8
271.09656	30.1
281.08170	1.0
283.06079	0.7
284.06796	3.1
295.24020	0.5
299.09137	100.0
299.20157	1.7
300.09393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1853
Annotation	Hebelophyllene G
Peak:m/z	Relative Intensity
53.03939	5.6
55.01872	7.6
55.05513	18.0
55.68755	3.9
57.03442	24.5
57.07059	6.0
59.05020	4.2
61.02959	4.9
64.73617	3.5
67.05512	26.2
69.03434	21.9
69.07068	39.6
70.06602	7.9
70.39127	9.3
70.39483	7.3
71.05002	100.0
72.08173	4.0
73.02911	10.8
75.04511	7.2
79.05487	27.7
81.03403	12.8
81.07064	46.7
83.04977	19.5
83.08617	7.6
85.02911	88.6
87.04463	5.1
91.05489	29.4
93.07052	43.3
95.04980	21.6
95.08620	36.2
97.06535	41.6
99.04444	15.2
99.08103	4.9
101.06024	3.9
105.07028	42.8
107.04946	18.1
107.08604	49.9
109.06532	25.1
109.10168	23.7
111.04385	8.6
111.08115	9.1
115.05357	4.0
117.07022	10.2
119.08592	38.5
121.02812	5.7
121.06517	17.1
121.10153	27.8
123.08074	78.8
123.11696	10.4
125.05990	6.6
125.09621	7.5
125.13235	7.9
128.06154	4.6
129.05498	18.0
129.07007	5.7
131.08554	22.2
133.06464	5.2
133.10132	16.4
135.08061	7.8
135.11688	14.7
135.94887	4.2
137.05928	4.4
137.09625	39.6
139.07529	5.8
139.11197	32.0
142.07889	3.9
143.07024	4.9
143.08580	11.3
145.06490	6.7
145.10133	16.7
147.06551	4.6
147.08060	22.9
147.11690	15.9
148.16212	4.3
149.02347	5.2
149.09633	14.5
149.13266	6.0
151.07610	6.5
151.11165	18.7
153.12743	10.1
156.93335	4.2
157.10150	13.9
159.08095	4.6
159.11717	17.7
161.09598	6.3
161.13252	6.3
163.11224	30.1
165.12776	13.7
171.11778	6.1
173.09631	7.5
173.13263	8.1
175.11249	18.6
177.09135	8.4
177.12750	26.3
181.12314	11.9
183.11687	6.5
189.12729	5.8
191.14355	5.5
193.04984	4.4
193.12230	9.4
195.10260	7.1
199.14874	4.5
201.12817	7.0
205.12061	4.1
207.13763	5.0
214.58733	3.7
219.13780	20.6
221.84637	4.0
237.07564	7.2
237.14948	4.7
237.17383	3.7
245.15382	14.3
263.16409	15.4
281.17584	12.8
299.05475	27.4
299.09042	8.8
299.12292	5.2
299.18448	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	299.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01872	7.6
55.05513	18.0
55.68755	3.9
57.03442	24.5
57.07059	6.0
59.05020	4.2
61.02959	4.9
64.73617	3.5
67.05512	26.2
69.03434	21.9
69.07068	39.6
70.06602	7.9
70.39127	9.3
70.39483	7.3
71.05002	100.0
72.08173	4.0
73.02911	10.8
75.04511	7.2
79.05487	27.7
81.03403	12.8
81.07064	46.7
83.04977	19.5
83.08617	7.6
85.02911	88.6
87.04463	5.1
91.05489	29.4
93.07052	43.3
95.04980	21.6
95.08620	36.2
97.06535	41.6
99.04444	15.2
99.08103	4.9
101.06024	3.9
105.07028	42.8
107.04946	18.1
107.08604	49.9
109.06532	25.1
109.10168	23.7
111.04385	8.6
111.08115	9.1
115.05357	4.0
117.07022	10.2
119.08592	38.5
121.02812	5.7
121.06517	17.1
121.10153	27.8
123.08074	78.8
123.11696	10.4
125.05990	6.6
125.09621	7.5
125.13235	7.9
128.06154	4.6
129.05498	18.0
129.07007	5.7
131.08554	22.2
133.06464	5.2
133.10132	16.4
135.08061	7.8
135.11688	14.7
135.94887	4.2
137.05928	4.4
137.09625	39.6
139.07529	5.8
139.11197	32.0
142.07889	3.9
143.07024	4.9
143.08580	11.3
145.06490	6.7
145.10133	16.7
147.06551	4.6
147.08060	22.9
147.11690	15.9
148.16212	4.3
149.02347	5.2
149.09633	14.5
149.13266	6.0
151.07610	6.5
151.11165	18.7
153.12743	10.1
156.93335	4.2
157.10150	13.9
159.08095	4.6
159.11717	17.7
161.09598	6.3
161.13252	6.3
163.11224	30.1
165.12776	13.7
171.11778	6.1
173.09631	7.5
173.13263	8.1
175.11249	18.6
177.09135	8.4
177.12750	26.3
181.12314	11.9
183.11687	6.5
189.12729	5.8
191.14355	5.5
193.04984	4.4
193.12230	9.4
195.10260	7.1
199.14874	4.5
201.12817	7.0
205.12061	4.1
207.13763	5.0
214.58733	3.7
219.13780	20.6
221.84637	4.0
237.07564	7.2
237.14948	4.7
237.17383	3.7
245.15382	14.3
263.16409	15.4
281.17584	12.8
299.05475	27.4
299.09042	8.8
299.12292	5.2
299.18448	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	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60417	2.7
53.03947	6.2
55.01868	7.3
55.05515	17.2
57.03434	13.3
57.07078	7.4
59.04987	3.9
60.01643	2.9
61.02948	2.7
65.03935	3.3
67.05506	25.3
69.03434	18.1
69.07075	19.1
69.22684	21.4
70.06622	2.7
71.01344	3.6
71.04994	36.1
73.25678	2.6
74.26369	2.9
79.05490	17.7
81.03420	7.9
81.07057	35.2
83.04992	20.8
83.08639	3.2
84.08125	2.7
85.02909	34.2
85.06546	5.9
91.05475	20.9
93.07040	34.0
95.04976	23.4
95.08078	2.7
95.08627	31.1
97.06537	19.8
98.21589	3.7
99.04456	9.8
101.05979	3.5
105.07037	29.5
105.75698	3.0
107.04958	100.0
107.08595	30.7
109.06513	23.5
109.10141	16.8
111.04404	6.1
111.08090	5.0
113.06006	4.0
117.07012	6.2
119.04917	4.6
119.08585	25.5
121.02899	5.6
121.06504	9.8
121.10155	23.1
123.04471	4.2
123.08070	97.5
123.11717	4.3
125.06003	6.2
125.09635	6.3
126.60128	3.1
129.05472	9.8
129.06985	4.7
130.07779	3.9
131.08542	14.3
133.10129	11.6
135.08034	7.5
135.11678	8.8
137.02402	2.8
137.05972	7.7
137.09619	53.1
139.07536	8.6
139.11194	24.6
141.07004	4.1
142.07692	3.6
143.08578	7.4
145.06488	4.7
145.10146	23.6
147.08051	9.3
147.11687	14.8
149.09633	18.1
151.11159	9.8
153.12721	2.6
155.07065	3.6
155.08376	3.0
157.10147	13.0
159.08051	7.2
159.11708	21.6
161.09637	6.9
161.13246	5.6
163.11197	61.2
165.12735	9.7
169.10165	4.9
171.11761	3.8
173.09586	6.6
173.13289	9.1
175.11165	12.0
177.12711	14.9
181.12190	15.3
185.13354	4.4
187.11230	4.9
189.12744	7.7
191.14319	3.7
193.04990	27.6
193.06586	4.5
193.12241	8.8
201.12726	9.4
203.14359	4.5
205.12189	5.5
211.07581	3.5
211.14799	2.7
219.13828	21.4
243.06207	2.5
245.15361	11.1
263.16446	11.8
271.09628	3.3
281.17349	6.8
299.05499	33.7
299.09183	60.5
299.18445	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	300.108
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39995	0.8
69.71011	2.1
69.71418	2.9
85.32995	0.7
86.09680	1.0
98.20737	0.9
98.98853	0.8
107.04963	100.0
109.65625	0.8
145.94438	0.9
283.07993	1.4
300.10876	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	301.0896
Annotation	59-43-8
Peak:m/z	Relative Intensity
55.01864	1.0
55.05501	0.8
56.05038	0.5
56.96570	2.2
57.03433	0.6
61.02920	1.1
67.05494	0.5
69.03419	2.3
69.53725	1.8
69.54148	1.5
70.06594	3.5
70.95863	0.8
72.08159	6.1
72.93789	0.9
73.02921	1.2
74.06059	0.9
81.03429	1.0
81.40376	0.4
84.08146	5.9
85.02905	4.9
86.09688	1.8
90.94805	1.0
91.05457	0.4
95.06113	0.7
97.02884	2.0
97.59140	0.5
98.21482	0.7
98.97585	3.2
99.04416	0.6
101.00864	1.7
104.96379	0.5
107.04955	1.0
109.02854	0.8
110.07161	0.5
110.97555	0.7
112.11210	1.4
113.96407	1.1
115.08669	1.2
116.98631	1.1
119.01936	2.3
120.08087	0.5
127.03919	1.1
128.98631	0.9
129.10237	1.9
129.13898	1.2
131.01904	1.8
132.95821	2.1
133.03511	0.6
134.06012	0.5
137.05959	1.0
139.03719	0.8
139.09509	0.6
143.01913	1.2
144.95813	0.8
145.03465	1.4
145.04988	0.8
148.98848	0.6
152.07097	0.5
155.01904	1.1
157.09758	0.7
158.08067	0.6
158.99599	0.5
161.01147	0.5
161.02946	1.1
170.99786	0.5
171.01378	0.7
173.02950	0.9
183.61659	0.5
187.04562	0.6
189.02406	1.1
189.07845	0.8
190.96452	0.6
198.98683	0.8
199.00932	0.5
199.11911	1.0
200.63716	0.5
201.00517	0.5
203.03903	0.5
219.01711	1.0
221.05125	1.4
230.95844	0.6
234.99001	1.3
241.16519	0.6
250.17113	5.7
259.03064	0.7
271.06699	2.0
277.04141	0.6
278.98206	0.8
301.08957	100.0
301.13812	3.2
301.22275	1.2
301.68484	1.2
302.09283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01881	9.6
55.05486	2.3
57.03423	2.6
60.59418	1.3
65.03937	3.7
67.05511	3.0
68.99789	5.7
69.03434	2.0
69.07059	1.7
70.06596	12.9
70.85564	2.5
70.85909	2.1
72.08164	8.2
73.02899	2.9
79.05499	7.1
81.03416	3.7
81.07030	1.9
83.04974	3.4
84.04504	1.6
84.08148	9.9
85.02909	18.9
86.09709	13.0
91.05479	4.7
92.74061	1.6
93.03398	6.1
93.07040	2.5
95.04966	5.0
97.02908	10.8
97.45271	1.6
103.03949	1.7
103.05459	2.7
105.03387	1.7
105.07038	2.8
107.04971	8.4
109.02848	5.2
110.06031	1.3
111.04459	6.9
115.05513	1.9
115.08775	1.5
116.07098	2.0
120.08096	1.4
121.02853	4.3
121.06511	6.3
123.04456	12.5
127.03918	1.8
129.10217	3.4
131.04941	3.4
135.04425	27.7
136.06195	3.6
137.06633	1.8
139.03912	62.9
145.06493	2.8
147.04390	1.7
149.05994	10.4
151.03917	100.0
159.04399	3.9
161.05977	2.3
163.03917	27.7
165.05545	3.2
173.05978	2.9
175.03922	4.2
177.05496	22.9
179.03432	2.3
181.04974	63.6
185.12784	1.5
189.05478	6.2
191.07037	5.7
193.04976	2.6
199.18236	1.6
201.05501	9.0
205.04988	54.2
217.04939	11.1
219.06581	3.2
229.00063	1.7
229.04967	4.7
235.06033	30.8
241.08830	1.5
247.06024	27.1
250.17149	3.8
265.07101	11.8
283.08078	3.4
301.09106	6.4
301.12189	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
55.01881	9.8
57.03422	3.1
65.03939	2.6
67.05499	2.0
68.99782	4.2
69.03438	2.1
69.64744	3.0
69.65158	6.7
70.06608	2.3
70.98859	1.3
72.08148	2.5
73.02888	1.5
79.05497	6.8
81.03429	2.4
83.04998	3.2
84.08125	1.9
85.02911	18.1
91.05463	4.4
91.07336	1.6
93.03427	7.5
93.07040	1.9
95.01344	1.6
95.04995	7.1
97.02898	7.0
103.03938	2.3
103.05482	3.1
107.04951	7.0
109.02878	6.8
111.04452	7.1
117.07027	1.7
119.04955	2.2
121.02861	6.3
121.06504	4.1
123.04442	14.8
131.04922	2.0
135.04431	32.9
139.03920	59.7
147.04364	2.0
149.02370	1.7
149.06000	13.1
151.03917	100.0
159.04457	4.5
161.06012	2.4
163.03928	25.4
165.05513	2.1
173.05989	3.7
175.03937	4.2
177.05499	23.4
181.04977	69.4
189.05511	6.4
191.07014	3.9
193.04948	3.3
199.08223	1.8
201.05548	8.8
201.26694	1.4
205.04977	51.4
217.05058	7.9
219.06543	2.2
229.04950	5.4
235.06042	34.3
247.06055	30.7
265.07129	12.4
283.08105	3.1
298.33832	1.7
301.09171	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	301.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79169	0.3
53.00289	0.4
55.01861	0.4
55.05500	0.6
55.20632	0.3
55.68787	0.4
57.07073	1.0
58.06589	0.6
60.04516	1.6
65.35348	0.4
67.05505	1.2
69.07073	21.6
69.34321	3.5
70.06578	1.6
71.08625	0.7
78.04722	0.7
78.49828	0.4
78.81779	0.3
79.05487	0.6
81.07056	1.8
86.06061	1.3
88.07623	1.6
91.05486	0.4
93.07042	0.9
93.17197	0.4
95.01349	0.7
95.08608	1.7
100.07618	1.3
105.07019	1.5
106.04187	0.7
106.08645	0.7
107.08598	1.2
109.10145	0.8
111.08091	0.9
117.07007	0.5
119.08561	1.1
121.10154	0.9
123.11741	0.6
131.04958	1.0
131.08560	0.5
133.10152	1.1
134.03624	3.3
135.11697	0.6
143.08575	0.5
145.10170	0.9
147.04398	0.8
147.11728	0.5
159.04419	3.6
159.11728	0.7
161.02335	1.1
161.13229	0.5
161.43930	0.4
162.03137	6.6
171.11664	0.7
172.01567	0.9
173.02328	1.7
173.13281	0.8
174.03091	0.5
175.03911	1.0
175.14816	0.4
177.05481	0.9
185.50995	0.4
187.03908	1.8
187.14755	0.6
189.01895	1.3
189.05431	0.5
190.02608	2.9
199.14764	0.5
201.01869	0.6
202.02589	2.2
203.03419	0.5
204.00476	0.5
215.03419	8.2
217.01320	8.2
218.02118	72.3
219.02551	0.8
229.19162	0.5
230.02130	9.9
231.02859	2.5
232.03757	0.7
233.04460	100.0
234.04765	0.9
236.24821	0.4
245.04471	6.7
257.22699	0.7
282.27838	1.9
283.24176	1.1
283.28311	3.0
284.29288	0.7
300.28955	0.9
301.10736	1.3
301.21902	0.7
301.25232	3.8
301.29303	2.1
302.30539	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	301.1072
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.72324	0.5
51.99211	0.5
55.01870	1.3
63.65117	0.5
67.05492	0.6
69.07064	0.5
70.48534	0.4
70.66431	1.6
71.77235	0.5
79.05536	0.5
81.07050	1.4
83.04955	0.7
91.05487	1.7
93.07017	0.7
95.04945	1.1
95.08595	1.0
102.76971	0.4
105.07005	1.2
107.08617	1.1
117.07043	0.5
120.70992	0.4
123.11803	0.5
129.07022	0.5
131.08595	0.5
135.11678	0.5
137.05952	0.7
141.06972	0.9
143.08559	0.9
145.10146	1.2
149.05997	1.3
152.06226	1.6
153.06975	2.2
155.08791	0.5
157.06560	0.6
159.07985	0.9
159.11673	0.8
160.57393	0.5
165.06985	2.2
169.06516	3.2
170.07274	1.1
170.83693	0.5
171.08055	1.3
172.86757	0.5
175.07590	0.5
177.05470	0.8
179.08644	0.5
180.05685	0.7
181.06493	5.9
182.07263	1.7
183.08020	2.4
184.05208	1.7
184.08858	1.0
185.06009	0.9
187.03859	0.7
187.07474	1.4
195.08083	1.6
196.08861	2.3
197.06006	6.8
198.06805	1.9
199.07581	9.5
201.05382	0.7
201.09038	1.0
203.06932	0.5
209.05917	3.4
211.03847	1.4
211.07539	4.7
212.04753	3.9
212.08339	4.5
213.05486	0.5
213.09096	2.1
214.06248	0.6
214.09930	1.8
215.07027	4.7
219.17418	1.1
223.07497	1.0
224.08354	2.8
225.05557	3.9
225.09024	0.9
226.06285	2.6
227.07045	32.1
228.04184	2.1
228.07573	1.0
229.08620	2.3
230.09439	1.0
237.05447	7.9
239.03406	0.8
239.07033	0.8
240.04181	0.7
240.07782	5.0
241.08595	4.7
242.09387	34.4
243.06537	10.3
244.07141	0.6
245.11746	0.6
251.07137	0.7
253.04999	3.4
254.05846	0.6
255.06546	4.7
255.10179	2.0
257.08115	5.3
258.08862	4.6
268.07205	2.5
269.08093	1.3
270.08896	18.3
271.06058	6.3
273.11240	20.9
282.44608	0.6
283.09613	2.6
285.07550	0.8
286.08304	4.9
287.09283	0.8
301.10718	100.0
302.11255	2.1
302.47507	0.5
315.31244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1073
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
51.69112	0.6
53.03938	0.9
54.06406	0.5
55.01861	1.7
55.05518	1.0
64.33115	0.7
67.05508	1.8
68.88357	0.5
69.07093	1.4
69.27777	0.5
69.94405	2.5
70.06603	1.1
71.05008	0.7
72.92926	0.6
79.05485	2.0
81.07072	3.2
83.05000	0.6
91.05499	5.8
93.07052	3.7
95.04969	1.1
95.08616	3.9
105.07030	4.1
107.04926	1.2
107.08578	2.5
109.10136	1.8
111.08038	0.7
115.05473	0.8
119.04976	0.8
119.08559	2.8
120.08090	0.9
121.06554	0.9
121.10144	1.4
129.06976	0.7
131.08565	1.4
133.10150	1.7
135.04482	0.7
135.11687	0.9
137.05962	1.5
141.07025	2.2
143.08453	0.8
143.93102	0.6
145.10136	2.0
146.06012	0.7
147.11688	1.9
149.05898	1.5
152.06224	2.9
153.07024	5.8
155.04953	0.9
155.08601	1.3
157.06451	1.0
159.08159	0.7
159.11728	2.1
161.13274	1.4
165.07022	3.5
166.07747	0.6
167.07227	1.4
167.08543	1.1
168.05785	1.5
169.06477	4.4
170.07257	2.1
171.08047	1.0
173.13278	1.0
180.05693	1.2
181.06487	10.3
182.07259	2.6
182.09663	2.4
183.04390	1.7
183.08055	2.4
184.05147	1.1
185.06015	0.9
185.09659	1.1
185.13223	1.1
187.07593	1.9
187.14874	0.9
195.08087	3.0
196.05162	1.2
196.08769	1.5
197.05969	8.0
198.06760	5.2
199.07541	8.2
201.09047	1.1
203.06981	0.8
208.05212	0.6
209.06052	3.5
209.07668	0.6
210.06815	0.8
210.09077	1.4
211.03868	0.9
211.07451	4.2
212.04767	4.3
212.08070	3.1
213.05354	0.8
213.09048	4.2
214.06244	0.7
215.07047	5.8
222.06645	0.7
223.07558	2.7
224.08249	2.8
225.05560	3.0
225.09122	1.1
226.06267	4.3
227.07047	31.6
227.11780	1.1
228.04182	2.3
228.07707	0.8
229.08597	2.2
230.09395	1.4
237.05515	6.4
238.08601	1.0
239.07054	1.0
240.07645	5.1
241.08542	7.4
242.05711	1.0
242.09396	24.8
243.06522	10.9
251.07014	1.5
253.04977	2.5
254.05489	0.8
255.06552	5.9
255.10789	2.2
257.07980	3.9
258.08798	3.9
259.09671	0.6
268.07321	3.5
269.08014	2.5
270.08893	25.9
271.06143	5.9
271.08936	1.3
272.10410	0.7
273.11246	16.4
283.09631	4.5
283.20596	0.7
286.04984	1.1
286.08292	8.2
287.09296	0.8
295.67410	0.7
301.10709	100.0
301.21765	5.4
302.11234	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04256	1.6
55.05527	9.9
57.07084	14.8
58.06601	3.1
60.04531	53.1
64.05228	2.0
67.05503	17.3
69.03415	4.4
69.07074	14.7
70.06600	16.2
70.45782	3.9
70.46146	3.2
71.04993	4.1
71.08626	4.5
74.06065	1.9
79.05496	12.3
81.07070	22.3
83.04967	3.7
83.08622	8.2
84.08138	1.8
85.06525	2.6
88.07625	16.1
91.05493	15.0
93.07063	17.4
95.04958	6.7
95.08607	24.7
97.06540	4.5
97.10161	3.3
102.09165	6.6
103.03405	1.6
103.05506	1.8
105.07045	26.0
106.08662	9.3
107.04986	2.1
107.08610	21.7
109.06539	12.6
109.10146	14.9
111.08076	2.6
117.07027	6.6
119.08601	24.7
120.90244	1.6
121.06511	5.3
121.10151	17.0
123.08032	3.8
123.11694	3.7
129.06996	6.0
130.07774	3.4
131.08580	21.7
133.10117	19.8
135.08119	9.1
135.11691	7.1
137.09625	3.1
139.11171	2.0
143.08582	10.1
144.09363	4.1
145.10129	25.1
146.07204	2.7
147.08058	2.0
147.11707	9.6
149.09697	2.1
149.13239	5.7
155.08569	2.7
156.09471	1.6
157.09013	2.1
157.10095	11.0
158.10880	6.4
159.08105	2.0
159.11699	9.3
161.09647	26.0
165.06926	2.5
169.10167	3.1
170.97922	1.5
171.11649	4.5
173.13278	43.3
175.14809	4.9
179.08559	2.5
181.06369	1.9
183.11720	2.9
185.13278	5.8
187.14757	2.3
189.12827	2.0
191.14314	11.6
195.11688	2.7
197.13335	2.6
199.14851	4.3
201.12769	3.7
201.16356	4.0
209.13248	5.8
209.15445	1.9
217.15964	1.6
223.14815	4.3
225.16486	2.7
227.07089	2.0
227.14188	3.7
233.04512	3.5
242.09492	3.3
243.17368	2.0
254.28419	6.4
255.21025	1.6
256.17389	1.7
265.19653	3.5
266.28439	4.1
269.08307	2.0
273.11188	2.2
283.20511	7.3
283.23486	1.9
283.28189	6.6
284.26611	3.4
284.29501	31.6
301.07330	3.1
301.10730	8.8
301.14151	3.6
301.17795	5.6
301.21613	13.4
301.25278	8.1
301.28793	8.7
302.30569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2164
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
53.03940	3.5
55.01851	3.3
55.05516	9.2
57.03437	3.5
65.03949	4.7
67.05507	19.7
69.03422	3.3
69.07056	9.0
69.58333	4.5
69.58741	8.3
70.06588	6.3
71.04986	6.4
72.08130	3.0
79.05499	18.3
81.03405	2.6
81.07061	47.7
83.04993	2.2
83.08625	4.0
84.08139	4.2
85.06548	2.4
90.85616	2.4
91.05491	30.9
93.07050	50.7
95.04967	7.6
95.08614	78.0
97.06531	5.4
97.10126	2.6
99.04454	3.6
103.05471	3.4
105.07036	63.6
107.04946	6.8
107.08603	39.8
109.06480	2.6
109.10168	24.1
111.04432	2.6
111.08071	7.3
113.09654	2.3
115.05487	2.2
117.07006	9.6
118.07788	1.8
119.04918	5.7
119.08586	70.1
120.08068	2.9
121.02863	1.9
121.06525	4.7
121.10139	26.6
123.11707	4.4
128.06233	2.8
129.06926	3.2
131.08582	25.8
133.10139	31.5
133.65877	2.1
135.11717	4.8
137.05975	6.1
137.09566	2.1
139.07530	3.1
141.07010	3.1
142.07724	3.0
143.08559	8.7
145.10129	45.4
146.10921	5.0
147.08145	2.8
147.11697	51.0
147.12822	4.1
149.05984	11.7
149.13248	3.4
151.03934	4.4
152.06229	9.6
153.06984	14.4
155.08508	2.7
157.10143	9.6
159.11697	29.0
160.12471	7.4
161.13275	27.2
165.01900	3.2
165.05725	2.3
165.07033	11.7
167.04848	2.1
167.08543	4.4
168.05734	4.0
169.06499	5.4
169.10213	3.1
170.07265	4.0
171.11697	8.8
173.13280	18.2
177.05542	5.5
180.05740	3.0
181.04968	4.2
181.06462	24.4
182.07224	3.4
183.04427	3.8
183.08044	8.1
185.09714	3.2
185.13255	6.2
187.14839	15.9
189.12793	4.6
189.16402	11.3
191.10672	3.6
193.12297	2.4
195.08076	9.1
197.05995	6.9
198.06792	17.5
199.07521	2.8
199.14801	6.0
201.16385	20.5
202.17209	12.0
207.13820	5.7
208.05241	3.1
209.05991	4.6
210.06712	3.5
211.07571	5.4
212.08206	2.3
213.09196	9.8
213.16359	3.6
215.07022	3.2
223.07564	4.7
223.11678	2.3
225.05400	5.3
226.06245	8.3
227.07045	3.6
227.17918	15.6
240.07500	2.3
241.08560	16.1
242.09433	2.9
243.06526	3.3
245.15477	3.2
251.06920	3.6
255.21104	11.6
258.05313	8.2
258.08798	3.2
265.19653	2.4
269.08093	10.6
273.11499	3.0
274.76566	2.0
283.09515	2.5
283.20557	6.1
286.04727	9.0
286.08124	4.4
301.04034	3.2
301.07089	23.5
301.10718	84.4
301.14209	5.7
301.21625	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	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03929	4.1
55.01859	2.0
55.05510	11.8
57.03424	2.8
63.28153	1.4
67.05180	2.2
67.05506	24.8
69.03401	1.2
69.07074	9.5
70.46008	4.6
71.04989	4.2
75.04488	1.6
79.05492	20.1
81.07055	53.4
82.07357	1.9
83.08617	2.4
85.06529	2.1
91.05475	30.4
93.07043	55.7
95.04961	4.9
95.08607	85.1
97.06527	5.3
97.10162	1.5
99.04458	2.9
103.05472	3.6
103.25229	1.6
105.04556	2.1
105.07032	72.3
105.49388	1.3
107.04955	3.3
107.08594	41.7
108.09359	1.9
109.06522	1.8
109.10162	18.8
111.08080	6.1
113.06036	2.6
115.05374	1.7
117.07014	9.2
118.04128	1.3
119.04939	3.0
119.08582	67.1
119.99727	1.3
120.09356	1.5
121.06507	20.7
121.09322	2.3
121.10146	27.0
123.04462	1.5
123.08077	3.5
123.11691	3.5
123.89803	1.3
125.09652	2.6
128.74619	1.3
129.06992	4.0
130.07646	1.6
131.08563	25.0
133.06502	1.3
133.10133	33.4
135.08075	3.7
135.11665	5.5
135.60852	1.5
137.05920	3.2
137.09612	1.8
140.06192	1.8
141.06952	2.8
142.07800	2.7
143.08562	8.7
144.09276	1.6
145.10124	43.2
146.10884	5.8
147.08072	1.8
147.11684	54.1
149.05975	7.1
149.09645	2.7
149.13257	2.1
151.07487	1.3
152.06180	2.1
153.07018	6.1
153.09132	1.5
155.08505	3.0
156.09343	2.2
157.10120	11.9
159.11697	31.8
160.12502	7.0
161.05931	3.1
161.09602	2.2
161.13263	30.1
163.11105	1.7
163.14772	1.4
165.01863	1.6
165.07018	2.5
165.09108	2.7
165.12689	1.5
167.08591	2.7
168.00574	1.7
169.10205	3.0
171.11664	8.1
173.09567	1.5
173.13271	17.0
175.11238	5.5
175.14766	2.9
177.05487	3.2
179.10701	1.6
181.06509	9.1
183.02672	1.4
183.08087	1.4
183.11702	2.2
185.13246	7.3
187.11200	1.9
187.14836	20.4
189.12715	3.7
189.16380	8.5
193.12283	3.9
195.08072	2.9
197.05882	2.3
197.09703	1.6
197.13237	3.1
198.06700	5.3
199.14821	7.6
201.12823	1.9
201.16354	18.3
202.17157	12.2
203.14330	1.5
205.48003	1.5
207.13826	6.1
209.05951	2.9
209.13284	2.9
213.09085	3.7
213.16409	4.1
215.06927	1.6
217.12335	1.7
225.16353	3.3
226.06323	3.6
227.14337	1.7
227.17932	13.4
231.13792	2.3
237.05475	1.7
237.55830	1.5
239.06845	1.5
241.08606	6.0
243.06532	2.0
245.15398	3.3
251.07060	1.8
254.05727	1.4
255.21031	10.2
257.07974	1.5
265.19492	2.7
269.08002	8.7
273.11197	3.0
283.17303	1.4
283.20544	7.7
286.04797	13.9
286.07886	2.5
301.07083	16.5
301.10733	29.1
301.14276	6.8
301.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
53.03938	2.9
55.05517	12.5
57.03445	2.2
57.63998	1.8
65.03932	4.2
67.05508	30.8
69.03412	2.5
69.07067	9.3
70.06588	1.8
71.04978	7.8
75.04475	3.4
79.05502	21.3
81.03402	2.2
81.07059	55.6
83.08624	3.3
85.06551	4.8
87.04494	2.4
91.05479	45.3
93.07047	80.8
95.04993	9.1
95.08614	84.8
97.06538	7.8
97.10138	3.8
98.20725	3.8
98.53472	1.7
99.04434	3.6
105.07033	63.4
105.29072	2.2
107.04956	6.5
107.08595	39.3
109.06512	5.2
109.10159	21.4
111.04486	1.8
111.08072	7.1
115.05490	2.3
115.41528	1.7
117.07008	11.1
119.04929	3.9
119.08587	72.2
120.05722	1.8
121.06536	7.5
121.10146	39.8
123.08072	4.0
123.11713	6.5
125.09609	3.0
128.06227	2.1
129.07022	5.3
130.07751	2.4
131.08562	23.0
132.09253	2.1
133.09158	2.3
133.10139	32.6
135.08076	4.8
135.11673	9.7
137.05991	7.0
137.09630	4.4
141.07039	2.3
142.07773	3.6
143.08565	7.0
144.09383	2.6
145.09045	3.6
145.10132	45.1
146.10878	5.3
147.08040	2.8
147.11694	47.8
149.05991	5.6
149.09666	3.4
149.13278	2.8
151.03813	3.7
151.11200	2.7
152.06203	10.2
153.07021	18.8
155.06215	1.9
155.08493	3.6
157.06552	2.4
157.10127	12.3
159.11714	29.8
160.12477	8.4
161.09706	2.2
161.13248	27.4
163.11194	2.4
163.14888	2.9
165.07037	11.5
165.12808	3.0
167.08638	2.8
168.05771	3.8
169.06503	6.7
170.07315	7.2
171.11720	6.9
173.09653	2.3
173.13298	14.5
175.11237	3.0
175.14873	3.4
177.05475	3.6
177.12767	3.8
179.08571	2.0
181.06503	27.3
182.07312	4.4
183.04391	2.7
183.08047	6.3
183.11755	2.4
185.13312	8.3
187.07635	5.5
187.14836	16.2
189.12724	5.1
189.16428	10.6
193.06496	3.1
193.12221	2.3
195.08076	7.3
196.05226	2.9
197.06067	9.1
198.06790	15.6
199.07590	4.1
199.14838	6.5
201.16399	15.8
202.17169	9.1
207.13782	4.8
209.06015	6.8
211.07550	7.6
212.08263	3.7
213.05408	2.1
213.07361	2.4
213.09103	11.5
213.16408	5.2
215.07021	7.0
219.13770	2.4
223.07573	5.0
223.14912	2.3
225.05595	3.8
226.06256	11.6
227.06995	4.6
227.18010	11.0
229.01634	2.2
231.13609	1.8
237.05646	2.7
240.07901	2.0
241.08557	14.4
242.09355	4.4
243.06461	2.8
245.15379	3.9
251.07088	3.5
255.17317	2.3
255.21066	8.1
258.08969	3.0
259.16806	1.9
265.19653	4.2
269.08090	5.8
270.08725	3.6
273.11237	4.4
283.09805	2.6
283.20670	11.1
286.08447	2.7
301.07285	6.0
301.10684	87.7
301.21655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03940	3.9
55.01880	2.9
55.05519	10.3
57.03431	1.5
57.07056	1.9
65.03941	2.2
67.05174	2.3
67.05507	26.7
69.03414	2.7
69.07078	9.1
70.06587	3.4
70.45789	5.7
71.05009	3.3
72.92614	1.7
74.15436	1.5
75.04482	2.2
75.87453	1.6
79.05083	1.7
79.05497	21.7
81.03416	1.8
81.06595	2.4
81.07065	44.5
83.04991	2.6
85.06538	2.5
91.05484	34.2
93.07052	52.7
95.04985	13.3
95.08613	83.8
97.06516	5.5
99.04459	3.8
103.05490	2.8
105.07037	71.5
107.04964	4.3
107.08601	38.4
108.09375	3.0
109.06501	4.8
109.10169	19.6
111.08103	8.3
113.06039	3.2
115.05418	1.9
117.07087	8.5
119.04936	3.0
119.08589	58.4
121.06520	5.2
121.10163	25.3
123.04449	1.7
123.08071	5.5
123.11682	3.8
124.29145	1.6
129.07021	3.4
130.07791	2.5
131.08580	26.6
133.09142	2.2
133.10143	35.8
135.08047	4.2
135.11699	6.3
137.05998	2.6
139.07585	1.7
140.25111	1.7
141.06960	3.2
142.07748	2.3
143.08572	8.5
144.09358	2.4
145.10133	38.1
146.10881	5.0
147.08028	4.6
147.11697	50.1
149.05998	5.4
149.09622	3.1
149.13240	3.0
151.03870	2.0
152.06218	5.6
153.07018	14.3
155.08551	3.1
157.10161	9.7
158.10976	2.0
159.07938	1.7
159.11699	32.3
160.12505	6.0
161.09581	3.9
161.13260	22.1
163.11192	2.4
165.07037	10.8
167.07011	1.8
167.08432	2.7
168.05681	3.6
169.06482	2.8
170.07274	3.8
171.08208	2.6
171.11719	9.0
173.13275	19.2
175.11191	4.7
175.14851	2.4
177.12758	2.1
181.06453	14.5
182.07361	3.2
183.08032	3.4
183.11676	2.0
185.09683	2.4
185.13300	7.8
187.07539	4.1
187.14842	21.8
189.12790	3.7
189.16432	11.5
195.08055	5.1
196.05156	2.8
197.06023	7.5
198.06769	9.5
199.14880	8.3
201.16382	13.4
202.17188	9.6
207.13843	4.1
209.05937	3.7
209.13135	2.5
210.06752	2.7
211.07541	3.5
212.08264	2.1
213.09140	7.4
213.16367	2.6
215.07030	3.3
215.14284	2.2
219.13870	1.8
221.56303	2.3
225.16412	3.8
226.06158	10.5
227.06999	4.6
227.17989	11.7
237.05464	1.9
240.07761	1.8
241.08589	16.1
241.16022	1.9
242.09337	2.4
243.06506	5.2
245.15446	3.9
255.06418	2.1
255.21074	9.7
258.08890	2.5
265.19516	4.9
269.08038	10.0
270.08847	4.3
273.11020	2.1
283.20612	7.7
286.08185	4.1
301.07266	4.7
301.10684	63.9
301.14160	2.2
301.21625	100.0
301.24838	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	301.2166
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
51.02405	1.9
53.03941	3.0
55.05520	11.2
57.03440	3.2
57.07060	2.2
58.50384	2.0
67.05515	22.0
69.03426	2.6
69.07066	9.2
69.61041	1.7
70.06593	4.4
70.79439	4.6
71.04999	4.8
72.02362	1.8
77.03938	2.0
79.05136	1.9
79.05505	21.0
81.07066	48.1
83.08592	2.7
86.01964	1.9
88.76064	1.7
91.05489	27.3
93.07056	54.3
95.04967	5.9
95.08617	95.6
97.06519	2.9
99.04456	3.7
105.07043	80.4
106.07831	2.6
107.05022	2.5
107.08601	40.2
108.09393	2.4
109.06558	2.1
109.10168	20.1
111.08083	8.4
113.06001	3.0
117.07032	8.9
118.07758	1.6
119.08593	68.5
121.06497	3.8
121.10150	31.8
123.08115	3.4
123.11697	5.4
125.09650	1.9
128.06219	3.4
129.06996	2.3
131.08577	27.7
133.10147	39.0
134.10800	2.3
135.08034	2.1
135.11717	5.2
137.05989	4.1
139.07640	2.0
141.93272	1.7
142.07799	2.8
143.08591	6.1
145.10136	48.9
146.10883	6.4
147.08037	2.6
147.11700	53.7
149.05986	3.7
149.13333	3.9
152.06236	3.2
153.06943	4.6
155.08478	2.2
157.10136	11.3
158.10928	2.0
159.11723	32.2
160.12494	8.2
161.09718	2.9
161.13284	31.3
165.07010	3.4
171.11710	9.4
173.09831	1.8
173.13261	19.7
175.11209	3.7
181.06442	9.7
183.11746	2.3
185.13237	6.2
187.14838	22.3
189.12814	3.8
189.16400	10.5
193.12206	2.9
197.06004	3.1
198.06740	4.0
199.07544	2.3
199.14764	6.6
201.16417	18.8
202.17191	9.4
207.13852	6.1
209.05836	2.4
211.07576	4.1
213.09140	2.8
213.16354	3.4
215.07072	2.7
226.06352	1.9
227.07014	5.0
227.14284	2.8
227.17955	15.6
241.08600	5.2
242.09415	4.4
243.06447	2.9
245.15314	4.2
255.21092	9.6
258.05280	2.0
269.08054	2.6
270.08929	2.3
273.11227	3.1
283.20642	5.6
301.07092	10.6
301.10730	30.6
301.21637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86953	4.1
53.03947	6.6
55.01875	4.5
67.05508	4.8
69.03416	18.3
70.06593	26.9
71.02645	9.7
72.08159	78.0
79.05475	6.5
81.03416	8.7
81.07034	6.4
84.08136	9.9
85.02905	100.0
86.09695	23.1
95.04944	6.2
97.02898	57.1
103.03945	8.5
108.08099	16.6
109.02894	14.1
121.86935	4.4
122.06007	9.9
125.05995	12.6
126.05564	6.9
127.03893	26.0
132.10197	8.9
136.07559	17.9
140.07076	58.6
143.11794	53.8
145.04965	15.4
150.09114	9.3
152.07133	27.9
153.05661	5.0
154.08640	7.8
157.13361	6.8
164.07047	30.5
169.01453	7.1
171.11238	15.3
178.08696	20.0
182.08130	97.6
206.08131	46.1
222.16003	4.2
239.34985	3.7
248.09184	15.2
303.04980	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.05535	1.3
57.03430	2.9
60.23012	1.2
61.02920	3.0
65.03931	3.2
67.05508	44.4
69.03434	20.3
69.07068	13.5
70.06603	7.0
71.04986	4.2
71.08300	2.6
72.08154	6.5
73.02924	1.8
74.60427	1.3
80.85811	1.7
81.03436	8.1
84.04525	9.5
84.08144	6.1
85.02910	44.2
86.09716	12.9
88.07659	1.9
91.56420	1.4
95.04971	57.7
96.08170	1.3
97.02298	2.9
97.02897	46.5
99.04451	2.6
103.03931	5.8
109.02890	10.4
112.07614	38.6
113.05996	5.1
122.05995	2.3
123.04392	2.1
124.07626	3.0
127.03947	8.1
127.04779	1.9
128.10718	3.2
129.10220	2.5
130.05022	9.1
130.08664	5.2
136.07555	2.6
140.07076	100.0
145.05003	3.7
147.07639	7.6
154.08618	7.1
178.08606	2.0
182.08139	72.5
187.10851	2.4
206.08142	14.6
218.08186	1.7
220.09695	2.1
236.09247	1.7
248.09192	8.9
302.11957	2.2
302.59427	1.4
303.04953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73275	2.3
53.03938	3.0
55.01851	2.9
55.05511	6.1
57.03447	3.7
58.40993	2.7
61.02917	5.6
67.05489	5.2
69.03423	9.0
69.44679	21.5
70.06599	20.4
72.08160	100.0
79.05490	5.0
81.03411	5.5
81.07050	7.8
84.08139	12.0
85.02911	54.4
86.09712	29.1
87.83925	2.6
95.04960	4.0
97.02885	32.4
103.03982	3.8
108.08117	10.8
109.02870	8.7
112.07605	4.6
122.06030	6.8
125.05970	4.7
126.05512	4.8
126.09149	2.7
126.56514	3.1
127.03915	6.3
130.08609	5.1
132.10179	8.7
136.07581	17.3
140.07062	36.0
143.11798	58.6
145.04982	7.5
150.09167	3.5
152.07045	13.6
154.08591	7.9
157.13379	9.6
164.07068	15.2
171.11295	23.7
178.08643	10.1
182.08138	78.6
185.12895	4.9
206.08167	24.5
207.35359	2.7
218.08110	3.3
248.09209	8.3
250.17027	3.1
303.05115	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	302.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49176	0.4
50.92719	0.4
55.01871	0.7
55.05497	1.2
55.76555	0.4
56.05019	1.4
56.19370	0.4
60.04527	2.9
67.05510	3.4
67.88570	0.4
69.03429	1.1
69.07067	5.4
70.06596	15.0
71.05002	2.4
71.06909	0.6
71.24035	0.5
71.24407	0.8
72.08160	7.6
74.06091	0.7
81.03419	1.2
84.04512	25.9
84.08148	6.8
85.02913	4.7
86.09711	100.0
87.10027	1.2
88.04031	0.5
88.07629	1.6
95.04976	4.1
95.06047	0.7
96.08104	0.5
97.02906	2.7
98.06006	0.6
101.07144	3.2
102.05563	1.1
107.04951	0.7
109.02876	1.2
110.07191	0.9
112.07626	1.6
112.08766	1.4
114.09245	0.5
115.08748	1.1
116.07157	0.4
121.02859	0.7
122.06015	0.6
127.03947	0.8
127.08707	0.8
128.10725	9.6
128.32314	0.5
129.10246	3.0
130.05011	35.2
130.08629	4.1
132.10202	0.9
134.05966	0.6
138.12773	0.6
139.03958	0.9
140.04263	0.7
140.07082	4.9
143.11896	0.5
147.07651	31.3
151.03969	0.8
152.04285	1.7
152.07089	1.8
154.08643	0.8
156.10266	1.5
159.11285	2.9
164.07149	0.7
182.05405	0.9
182.08133	5.9
187.10797	0.6
189.12335	6.1
199.11938	0.9
199.18073	21.5
206.08185	1.3
227.17572	5.8
236.06596	0.5
248.06598	0.6
248.09337	0.8
250.17061	2.7
250.67174	0.5
255.74901	0.5
257.04544	0.5
286.15143	0.5
303.05075	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2076
Annotation	Ala Val Leu
Peak:m/z	Relative Intensity
54.02637	0.5
55.05518	4.8
56.05029	0.8
57.05817	0.8
67.05518	0.5
67.48598	0.5
70.06601	5.5
71.50383	0.7
72.08162	100.0
79.65722	0.5
84.08156	2.7
85.02924	0.9
86.09717	22.7
88.07640	0.6
91.28515	0.5
96.44545	0.5
100.07635	1.2
112.07610	1.2
112.08787	0.7
114.90965	0.6
120.08102	0.6
121.30363	0.6
129.10269	1.1
130.08640	1.4
132.10214	6.1
140.04504	0.5
141.05095	0.6
143.11810	69.2
152.07111	2.1
155.07050	0.9
156.07368	0.9
157.13402	6.1
157.28716	0.6
164.07277	0.6
171.11304	23.7
181.04999	0.9
182.05377	1.3
185.12901	2.4
203.13837	0.7
231.17180	2.4
250.17216	1.0
273.09128	0.7
303.05136	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2077
Annotation	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
55.05513	0.8
55.86523	0.4
56.05028	0.6
67.05498	0.7
69.03439	0.5
69.07080	0.9
70.06594	8.3
71.04995	0.8
72.08162	4.4
74.06088	0.7
84.04485	1.0
84.08158	4.3
85.02894	1.0
86.03231	0.4
86.06042	0.5
86.09709	100.0
87.10047	1.0
91.05480	0.5
95.04944	0.7
98.21570	1.4
108.49084	0.4
109.02970	0.4
110.07192	0.7
112.07590	0.4
112.08761	0.5
115.08684	0.9
121.02878	0.9
122.06039	1.4
128.07129	0.4
129.10252	1.2
130.08626	0.7
134.05991	0.5
135.04459	0.6
137.02371	0.6
139.03925	0.6
140.04251	0.9
140.07048	1.2
151.03917	1.3
152.04271	2.0
152.07103	1.1
153.01819	0.5
157.09822	0.5
157.13358	4.6
164.04362	0.4
167.07144	0.7
173.05933	0.5
178.05826	0.9
178.77075	0.4
181.04953	0.4
182.05350	1.7
183.61632	0.5
185.12877	1.0
188.98505	0.6
189.12352	8.4
199.18063	25.9
206.05336	1.8
227.17558	8.9
229.04996	0.6
236.06425	1.0
248.06299	0.7
250.17079	1.8
257.04465	0.6
284.08850	0.4
301.68546	0.6
302.11313	0.5
302.14984	0.4
303.05038	8.4
303.08466	0.9
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	H-LEU-LEU-GLY-OH
Peak:m/z	Relative Intensity
53.77568	0.4
55.01883	0.4
58.79900	0.4
60.04516	0.4
60.27657	0.4
63.51685	0.4
67.01839	0.4
68.99789	0.6
69.07069	4.7
70.06596	6.0
70.31480	0.8
70.31863	0.7
73.35168	0.4
74.29225	0.4
75.05608	8.7
76.21456	0.4
81.03452	0.4
84.08147	1.7
85.02873	0.4
86.09708	100.0
87.10031	0.7
95.05032	0.5
107.04996	0.6
121.02863	1.7
123.00782	0.6
123.04418	0.4
130.08640	0.7
131.04959	0.7
132.10211	11.5
137.02333	1.2
137.05965	0.5
143.11801	66.7
144.12267	0.4
152.07091	0.5
153.01834	1.8
163.35504	0.4
169.01341	1.6
171.11298	14.3
171.12755	0.9
173.06061	0.6
183.64894	0.4
189.12349	3.0
201.05486	1.0
229.04964	1.7
257.04413	0.9
274.04581	0.7
302.11398	0.8
302.20673	0.9
303.05005	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	302.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61749	0.4
69.07072	0.7
69.26121	4.4
70.06603	6.2
71.05001	1.2
75.05607	1.6
84.08153	1.3
86.09712	100.0
91.05507	1.0
95.13467	0.5
107.04973	0.8
109.02877	0.8
112.07635	0.9
121.02904	2.4
123.00804	0.8
129.10205	0.5
130.08662	1.9
131.04982	0.8
132.10217	9.3
137.02364	1.0
143.11809	68.0
145.06499	0.9
145.08484	0.7
153.01822	2.6
155.04936	0.9
169.01364	1.9
171.11305	18.1
173.05913	0.7
183.02896	0.6
183.04396	0.5
185.32562	0.5
199.07463	0.8
201.05518	1.0
229.05014	1.2
245.18539	1.1
247.06079	0.5
257.04544	1.3
275.05530	0.6
285.03909	1.2
302.03876	0.5
302.11053	1.0
303.05017	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
60.04521	0.7
67.05495	0.4
68.99786	0.8
69.07071	4.5
70.06593	4.9
70.91640	0.7
71.05003	0.7
72.08165	2.1
73.08495	0.5
75.05608	6.7
79.05499	0.5
84.08146	1.9
85.02919	0.6
86.09710	100.0
87.10033	0.7
88.07619	0.6
93.03420	0.4
93.15437	0.4
95.05006	0.4
98.20866	0.5
107.04954	0.5
110.07126	0.4
112.07580	0.5
113.00417	0.4
120.08065	0.4
121.02857	2.0
123.00787	0.5
129.10242	0.8
130.08650	1.2
131.04961	0.5
132.10210	10.1
137.02367	1.1
140.04370	0.3
143.11804	54.5
152.07108	0.4
153.01840	1.8
155.04906	0.5
159.04480	0.5
165.01826	0.8
169.01346	1.8
171.11301	14.7
181.01250	0.4
189.12360	5.2
201.05467	0.7
229.04985	1.9
245.18573	0.7
250.17101	0.6
255.06445	0.5
257.04443	1.2
274.04669	0.4
284.29266	0.5
285.03830	0.5
287.09161	0.4
302.03976	0.7
302.11386	0.9
302.20917	0.7
302.30557	1.6
303.05011	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.3055
Annotation	Sphinganine
Peak:m/z	Relative Intensity
53.00306	0.3
55.05518	0.3
56.05020	0.2
57.07078	7.8
58.06586	0.7
62.06068	0.5
68.05031	0.3
69.85817	0.9
69.86230	0.5
70.06597	13.2
71.08637	3.7
82.89285	0.2
85.10197	1.2
86.06068	0.3
88.07638	16.9
98.21371	0.4
102.09177	4.6
106.08675	8.8
111.09375	0.3
113.74734	0.3
240.26875	0.4
258.27982	1.0
284.29492	6.2
302.30536	100.0
303.30841	1.2
316.98004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01690	0.6
56.96571	19.0
70.09861	0.7
70.21594	2.7
70.80732	0.6
71.95233	0.9
74.93140	1.2
81.03435	1.2
84.96007	0.8
98.97591	29.9
99.97942	0.8
100.97150	0.8
101.00890	5.4
102.96850	2.2
106.98080	1.3
116.98627	12.0
117.99020	0.8
119.01927	6.6
120.97868	0.8
128.98560	0.8
134.99678	2.6
136.99132	9.0
140.98862	1.6
148.89816	1.0
154.93298	0.8
155.00183	7.1
156.96545	0.8
158.99875	5.3
159.89113	0.7
160.04536	1.2
168.98094	1.6
172.94350	2.3
173.01221	2.5
174.11264	0.7
174.97682	1.7
176.97290	0.7
177.00963	17.8
178.00989	1.5
179.00713	3.9
180.98082	4.2
182.99998	2.0
184.99631	0.7
186.99144	3.5
190.91087	0.7
190.95441	1.6
198.99173	2.4
201.00946	6.8
203.00764	1.8
203.05598	0.8
205.00302	1.4
212.93361	0.7
214.96484	1.9
215.34097	0.8
216.98708	1.4
217.04100	1.9
218.98953	3.3
219.02020	34.2
220.02113	3.2
221.01804	10.9
225.00914	1.8
226.88785	0.7
227.02534	2.3
228.96901	0.8
232.96571	0.9
234.99850	1.6
236.99861	1.1
238.96397	0.6
238.98532	0.7
240.98830	1.3
242.98846	2.1
243.01981	13.4
244.02124	1.0
245.00043	0.9
245.03670	1.0
246.97858	1.4
248.98100	0.7
254.96075	0.7
255.96132	0.9
256.95670	2.6
256.97641	4.3
258.97729	0.8
259.00070	3.5
260.99875	7.9
261.03070	100.0
262.00629	1.1
262.03076	5.8
267.01984	1.4
274.94043	0.8
274.97537	1.0
277.00983	1.7
278.96927	1.7
279.00534	5.6
279.96338	1.4
279.98859	0.9
280.01276	1.0
280.98035	0.6
283.00012	13.2
284.04672	1.5
284.99869	18.9
289.49142	0.9
296.97415	1.7
297.97626	2.2
298.98572	2.1
300.97687	1.0
301.01044	13.7
302.01328	1.0
303.00885	20.9
303.04221	6.4
304.00974	1.3
320.97470	5.5
321.01505	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
53.06041	0.2
55.01866	0.8
65.03941	0.7
66.82798	0.2
67.01855	0.5
67.05496	0.6
68.99439	0.3
68.99790	3.2
69.03438	0.8
69.07072	0.3
69.82999	0.3
69.83413	0.7
70.06592	0.3
71.05000	0.3
79.05491	0.7
81.03412	1.2
81.07044	0.7
85.02916	0.5
86.09716	0.2
91.05489	1.8
93.03396	0.7
93.07041	0.8
95.04967	1.3
95.08614	0.4
97.02882	0.2
99.04449	0.5
100.11240	0.2
103.05468	1.5
105.03378	0.4
105.07017	0.7
107.04940	0.8
107.08591	0.4
109.02883	1.4
109.06525	0.2
109.10151	0.2
110.07161	0.3
111.00806	1.8
111.04449	0.7
115.05460	0.6
117.07033	0.8
119.04948	0.5
119.08575	0.5
121.02861	2.5
121.06535	1.0
121.10145	0.3
123.03621	0.2
123.04426	1.3
125.06007	0.3
127.03972	1.0
128.06168	0.3
129.07004	0.5
131.04926	1.8
133.02795	0.3
133.10127	0.4
134.03648	0.3
135.04413	0.5
135.08017	0.2
136.07559	0.7
137.02359	8.2
137.03423	0.7
137.05981	2.1
141.01819	0.9
141.07001	0.3
143.04907	0.3
145.02870	0.4
145.06500	1.1
145.10146	0.2
147.04410	0.4
147.11703	0.4
149.02345	0.8
149.05998	1.2
151.03922	0.4
151.07579	2.2
152.06223	0.2
153.01831	10.2
153.05617	1.2
153.06900	1.5
154.02220	0.4
154.07797	0.3
155.04956	1.2
155.06007	0.3
155.08569	1.2
157.06497	0.7
157.10129	0.2
159.04434	0.4
159.11749	0.4
160.05212	0.2
161.06039	1.1
163.03886	1.6
163.07530	1.1
164.07057	0.9
165.00557	0.3
165.01854	4.2
165.05630	0.3
165.07008	3.4
166.02620	0.6
167.06985	0.3
168.05699	1.3
169.01408	0.3
169.06450	0.5
169.18898	0.2
173.05966	1.8
175.07590	0.4
177.01848	0.2
177.05482	0.4
177.09097	0.3
179.03441	0.3
181.01344	0.2
181.06490	1.1
181.08636	0.2
182.07101	0.4
183.02904	1.6
183.04456	1.1
183.08052	3.7
184.05179	0.2
185.06013	0.6
187.03889	1.3
187.07626	0.3
191.03442	0.4
191.07062	0.3
193.06531	0.7
195.02916	0.6
196.05226	0.8
197.05937	0.7
199.07608	0.2
200.08290	0.5
201.05481	4.5
201.09081	0.4
205.04997	0.5
207.04425	0.8
210.06776	0.2
211.03972	0.7
211.07553	4.0
211.09502	0.3
212.04654	0.2
212.08290	0.3
213.05450	1.1
215.03581	0.2
215.10593	0.8
219.02847	0.2
219.06558	0.7
221.06029	0.3
225.09164	0.4
227.07019	0.5
228.04185	0.7
228.07887	0.5
229.04974	9.7
230.05396	0.3
239.03427	0.6
239.07060	1.1
242.09424	0.3
243.10156	3.0
245.08115	0.4
246.05084	0.2
247.06030	1.5
253.08640	0.3
255.06468	0.3
256.07321	0.3
257.04468	5.3
257.12692	0.2
271.09671	4.3
272.10388	0.6
274.04727	1.6
275.05191	0.5
275.12982	0.2
285.03992	2.6
285.12274	0.7
285.22025	0.2
288.09882	1.2
303.04999	100.0
303.23221	0.5
304.05338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01868	0.9
59.79260	0.2
65.03941	0.5
68.99500	0.2
68.99792	2.0
69.03416	0.3
70.06573	0.7
70.06939	0.2
71.01342	0.3
71.09797	0.4
71.10134	0.2
72.08152	1.3
73.08482	0.3
79.05480	0.7
81.03389	0.2
84.08121	0.5
85.02888	0.8
86.09687	0.6
91.05448	0.3
95.01339	0.4
95.04948	0.5
103.05471	0.4
105.03383	0.5
107.04954	2.8
109.02878	0.3
110.07178	1.3
111.00748	0.2
111.04488	0.3
113.02384	0.4
117.06971	0.6
119.04961	0.3
120.08091	0.4
121.02869	7.4
121.03928	0.3
121.06523	0.2
123.00820	1.0
125.02355	0.9
127.00215	0.2
127.03933	0.2
127.05479	0.3
131.04907	1.7
133.02856	0.5
133.06430	0.3
135.04381	0.3
137.02318	0.3
137.05954	0.4
139.00282	0.4
141.01819	0.6
143.11751	0.3
144.12172	0.3
145.06511	1.1
147.04416	0.5
151.00293	0.2
151.07561	0.2
153.01840	1.8
155.04904	1.1
155.06013	0.3
157.06541	0.3
159.04395	0.8
161.05927	0.2
165.07053	0.3
169.01331	15.4
170.01724	0.2
171.02890	0.5
173.05977	1.3
173.86879	0.2
181.01340	2.0
183.02957	0.2
183.04439	0.7
183.08310	0.3
185.00806	0.5
185.05937	0.3
187.03915	0.6
188.07051	0.4
201.05486	1.2
203.42052	0.2
205.05014	0.3
205.09749	0.2
211.03976	0.4
228.04155	0.3
229.04950	1.8
239.03392	0.3
247.06061	1.1
257.04449	2.0
257.06940	0.2
257.08136	0.2
274.04807	1.3
275.05481	0.7
285.03970	0.8
302.04306	0.3
303.04999	100.0
304.05289	1.7
322.33383	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03952	0.2
55.01865	0.5
55.05498	0.2
65.03933	0.7
67.01859	0.4
67.05495	0.8
68.99496	0.2
68.99796	2.3
69.03420	0.8
70.06575	0.5
71.05005	0.3
71.51049	0.3
79.05494	0.6
81.03412	0.8
81.07052	0.7
84.08146	0.3
91.05500	0.8
93.03397	0.7
93.07033	0.7
95.04982	0.8
95.08598	0.6
95.46199	0.2
97.06525	0.2
97.29324	0.2
97.30109	0.2
103.05466	0.4
105.03397	0.2
105.07027	0.6
105.27576	0.2
107.04951	0.6
107.08595	0.8
107.44592	0.2
109.02891	1.2
109.06521	0.2
109.10171	0.4
111.00793	2.0
111.04421	0.2
111.20158	0.2
113.49212	0.2
115.05463	0.4
117.03368	0.4
117.07035	0.5
119.04960	0.2
119.08578	0.8
120.08068	0.2
121.02868	2.1
121.06499	0.5
121.10115	0.4
123.04436	0.8
127.03932	0.6
129.06995	0.3
131.04938	0.8
133.02827	0.3
133.10141	0.5
135.04385	0.5
135.11679	0.3
137.02361	7.8
137.03406	0.6
137.05957	1.6
141.01828	0.5
143.08572	0.3
145.02884	0.9
145.06485	1.0
145.10117	0.3
145.43115	0.2
147.04347	0.2
147.11699	0.4
148.07617	0.3
149.02325	1.0
149.06009	0.4
151.03952	0.2
151.07539	0.6
151.11130	0.3
153.01837	12.2
153.05458	0.3
153.07082	0.3
155.04927	1.2
155.06006	0.3
155.08566	0.3
157.06514	0.2
157.10097	0.3
159.04491	0.2
159.11687	0.5
161.05981	0.8
163.03915	1.3
163.07530	0.5
165.01842	4.3
165.07018	0.8
166.02643	0.6
168.05753	0.2
169.06491	0.2
171.02960	0.3
173.06009	1.6
177.01746	0.2
177.05453	1.1
179.03384	0.6
183.02892	1.5
183.04434	1.0
183.08086	0.8
183.11618	0.2
184.05124	0.2
187.03925	1.2
187.07578	0.2
191.03412	0.4
195.02773	0.3
198.06735	0.2
201.05495	4.2
201.09125	0.2
205.04951	0.6
207.02827	0.2
210.06836	0.2
211.07545	1.1
213.05423	0.2
215.03374	0.3
215.06882	0.2
219.03052	0.3
219.06598	0.4
228.04208	0.7
229.04979	9.5
232.03709	0.2
239.03426	0.6
239.07091	0.4
243.10225	0.6
245.04446	0.3
246.05124	0.2
247.06015	1.2
257.04449	5.4
257.08264	0.4
261.97073	0.2
271.09756	1.0
272.10507	0.2
274.04706	1.4
275.05505	0.5
285.04031	2.1
285.12396	0.2
286.04660	0.2
303.05011	100.0
303.23102	0.7
304.05371	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.18777	0.1
55.01881	0.2
65.03931	0.5
65.65669	0.1
67.01855	0.4
67.05495	0.2
68.99794	2.2
69.03420	0.3
69.40659	0.3
69.41075	0.6
70.06580	0.3
73.16431	0.1
81.03417	0.9
82.47695	0.1
84.08163	0.3
85.02946	0.2
86.09711	0.9
87.10035	0.3
91.05493	0.2
93.03397	0.6
95.04959	0.8
95.53237	0.1
97.02886	0.2
99.16740	0.1
105.03366	0.2
107.01305	0.2
107.04949	0.3
109.02914	1.0
109.68991	0.1
110.03672	0.1
110.07191	0.2
111.00810	2.0
115.05473	0.2
117.07024	0.3
121.02884	2.2
123.04411	0.8
124.01517	0.1
127.03905	0.8
128.06215	0.1
131.04935	0.4
133.02917	0.2
133.06544	0.2
135.04430	0.6
137.02354	9.1
137.03423	0.7
137.05986	0.6
139.03967	0.1
143.04904	0.2
145.02811	0.2
145.06477	0.6
147.04344	0.2
149.02365	1.1
153.01836	9.6
155.04918	1.0
155.06070	0.2
157.06485	0.4
159.04428	0.3
161.05972	0.9
163.03922	1.5
165.01842	3.6
166.02618	0.4
167.03500	0.2
167.07071	0.4
171.02853	0.3
171.04234	0.1
173.05983	1.4
177.01842	0.2
177.05434	0.2
179.03419	0.5
183.02890	1.3
183.04443	0.8
183.08072	0.2
185.06041	0.2
187.03963	0.8
191.03392	0.5
191.07092	0.3
195.02882	0.3
200.04659	0.2
200.18491	0.2
201.05472	4.1
203.03311	0.2
203.07048	0.2
205.05009	0.4
207.02841	0.3
211.03931	0.5
213.05510	0.3
215.03415	0.3
217.05003	0.1
219.03004	0.3
219.06546	0.4
228.04201	0.6
228.34599	0.1
229.04971	9.0
231.06541	0.6
233.04607	0.2
239.03416	0.6
245.04529	0.2
246.05240	0.2
247.06056	1.2
251.46239	0.2
257.04492	4.7
259.06021	0.2
271.09827	0.2
274.04727	1.3
275.05624	0.2
275.09085	0.2
285.03949	2.3
303.05002	100.0
304.05292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Delphinidin
Peak:m/z	Relative Intensity
55.01862	0.7
61.80544	0.1
65.03931	0.5
68.99791	1.8
69.57272	1.1
79.05480	0.4
81.03406	0.2
81.39000	0.2
85.38522	0.1
86.09703	0.3
91.05480	0.2
93.03433	0.3
95.01315	0.5
95.04986	0.3
103.05479	0.2
105.03366	0.4
107.04941	1.4
109.02882	0.5
111.00773	0.8
111.04455	0.2
115.05439	0.3
115.21554	0.2
117.07006	0.6
121.02874	6.3
121.03861	0.3
123.00793	1.7
123.04420	0.3
125.02350	0.5
127.03995	0.2
128.06197	0.2
131.04930	1.2
133.02876	0.2
133.06462	0.2
135.04440	0.5
137.02361	2.4
137.03365	0.2
139.00285	0.4
141.00694	0.2
141.01768	0.4
141.84929	0.2
145.02805	0.2
145.06508	1.2
147.04419	0.2
149.02351	0.2
151.00249	0.6
153.01833	4.6
155.04909	1.2
155.05995	0.3
157.06459	0.3
159.04440	0.7
161.05977	0.4
163.03918	0.5
165.01872	1.0
166.02515	0.2
169.01337	6.4
173.06004	1.7
181.01343	1.6
183.02913	0.4
183.04431	1.1
185.00887	0.2
187.03960	0.6
201.05486	2.5
211.03983	0.5
217.05042	0.2
228.04263	0.2
229.04980	3.8
239.03366	0.4
247.05989	0.9
251.02173	0.2
251.04893	0.2
256.18228	0.2
257.04465	3.2
258.05078	0.2
274.04767	1.1
275.05597	0.7
285.03952	1.9
289.76956	0.2
303.04996	100.0
304.05289	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70994	0.2
55.01863	0.5
57.01189	0.1
63.29917	0.2
65.03922	0.3
67.01863	0.5
67.05505	0.2
68.99790	2.0
70.39387	0.7
71.01353	0.2
79.05471	0.2
81.03410	0.7
86.09721	0.2
91.05495	0.2
93.03397	0.6
95.01354	0.2
95.04981	0.8
97.02112	0.1
103.05464	0.2
105.07040	0.3
107.04977	0.7
109.02887	0.8
110.03739	0.2
111.00809	1.5
112.92120	0.2
115.05428	0.3
117.07009	0.5
121.02864	4.0
121.03762	0.3
121.04126	0.2
123.00799	0.7
123.04430	0.5
125.02338	0.3
127.03911	0.3
128.06152	0.2
129.06981	0.3
131.04904	0.7
133.02864	0.2
133.06474	0.2
135.04405	0.4
135.93729	0.2
137.02351	6.3
137.03387	0.5
143.11844	0.2
145.02901	0.3
145.06529	0.8
149.02359	0.7
151.00229	0.3
153.01833	8.2
155.04907	1.3
155.06042	0.3
159.04437	0.5
161.05959	0.7
163.03902	1.2
165.01842	3.0
166.02588	0.5
169.01328	2.7
173.02298	0.2
173.06009	1.6
177.01918	0.2
177.05501	0.2
179.03406	0.4
181.01283	0.8
183.02890	1.0
183.04434	1.3
185.05873	0.2
187.03918	0.9
195.02922	0.3
201.05466	4.0
205.05026	0.3
207.02847	0.3
211.03897	0.5
213.05638	0.3
215.03452	0.2
219.03098	0.2
219.06551	0.6
228.04169	0.6
229.04965	7.3
239.03519	0.3
240.04179	0.2
245.04536	0.3
247.06026	1.0
257.04446	4.4
267.07858	0.2
274.04724	1.2
275.05396	0.3
285.03937	2.3
303.04996	100.0
304.05396	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87806	0.1
55.01868	0.4
57.18861	0.1
65.03941	0.5
66.01101	0.2
67.01860	0.5
67.05475	0.3
68.99789	2.2
69.03420	0.2
69.13959	0.1
69.65292	0.8
71.01328	0.2
79.06177	0.1
81.03415	0.7
91.05457	0.2
93.03406	0.6
95.04964	0.7
95.79783	0.2
97.02874	0.2
98.21404	0.3
105.03384	0.3
105.07025	0.2
107.01300	0.2
107.04932	0.3
109.02884	1.4
110.03616	0.2
111.00804	2.0
115.05490	0.2
117.07024	0.4
119.04943	0.3
121.02872	2.4
123.00742	0.2
123.04446	0.7
127.03925	0.5
129.07031	0.2
131.04924	0.5
133.02846	0.2
133.06435	0.2
135.04430	0.6
137.02351	7.7
137.03418	0.6
137.06007	0.2
143.04878	0.1
145.02806	0.3
145.06482	0.8
147.04405	0.1
149.02332	1.0
151.03886	0.2
151.07602	0.2
152.01041	0.1
153.01834	10.2
153.06961	0.1
155.04921	1.1
155.06013	0.3
155.47330	0.1
156.07280	0.1
157.06525	0.3
159.04410	0.4
161.05972	0.9
163.03932	1.2
165.01845	4.1
165.06999	0.1
166.02586	0.5
169.01367	0.2
169.26688	0.1
173.02228	0.2
173.06004	1.6
177.01817	0.2
177.05508	0.3
179.03369	0.3
183.02907	1.4
183.04449	0.9
183.08087	0.2
185.06061	0.2
187.03897	1.0
189.05411	0.2
191.03419	0.3
193.01286	0.2
195.02898	0.4
201.05489	4.7
205.04967	0.5
207.02840	0.3
211.03929	0.5
211.07579	0.3
213.05461	0.2
215.03308	0.3
219.02896	0.2
219.06500	0.4
228.04179	0.7
229.04977	10.1
233.04453	0.3
239.03438	0.4
243.10225	0.3
246.05083	0.2
247.06027	1.3
256.10852	0.2
257.04465	5.1
271.09634	0.3
274.04730	1.5
275.05447	0.5
285.03976	2.8
286.04590	0.2
287.37103	0.1
303.04999	100.0
304.05341	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03947	0.2
55.01862	0.4
55.52347	0.2
65.03937	0.9
67.01868	0.5
68.99448	0.2
68.99795	2.4
69.03433	0.3
69.38422	1.4
71.52557	0.2
73.88265	0.2
81.03410	0.7
91.05461	0.2
93.03409	0.7
95.04977	0.6
101.72910	0.2
107.04964	0.2
109.02901	0.9
111.00809	1.7
111.04462	0.2
117.06998	0.3
121.02878	1.8
123.04438	0.6
127.03928	0.3
131.04945	0.4
133.06514	0.2
133.76740	0.2
135.04428	0.5
137.02357	7.7
137.03400	0.6
145.06496	0.7
149.02351	1.0
153.01839	10.1
155.04938	0.9
159.04333	0.3
161.05995	0.7
163.03879	1.3
165.00540	0.4
165.01855	4.5
166.02632	0.4
173.05989	1.4
175.04045	0.2
177.01884	0.2
177.05531	0.2
179.03401	0.2
180.29234	0.2
183.02911	1.5
183.04449	1.0
187.03951	0.9
191.03366	0.4
191.06898	0.2
195.02829	0.5
201.05479	3.7
205.04929	0.4
211.03925	0.2
219.02921	0.3
219.06557	0.5
228.04182	0.9
229.04976	9.0
230.05350	0.2
239.03456	0.4
245.04509	0.3
247.06007	1.3
257.04471	5.0
274.04846	1.5
275.05508	0.6
285.03961	2.4
303.05005	100.0
304.05383	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	HIERACIN
Peak:m/z	Relative Intensity
53.03939	0.6
55.01865	1.2
55.05515	4.4
57.07076	0.3
57.10180	0.3
59.07160	0.3
62.65756	0.3
63.58751	0.3
65.03919	0.7
67.05493	0.9
68.99796	2.7
69.03419	0.9
69.07064	0.7
69.36183	2.4
70.06596	0.7
71.04990	0.4
79.05471	1.1
81.03421	0.7
81.07074	1.6
82.06569	1.0
82.42199	0.3
83.04970	0.9
83.08627	2.4
84.08144	0.4
86.09708	0.8
91.05473	1.3
91.58129	0.5
92.62775	0.3
93.07032	1.1
95.01356	0.7
95.04961	0.9
95.08599	0.8
95.81059	0.4
97.02847	0.4
98.09669	0.5
99.04482	0.3
100.07610	0.5
100.11259	10.3
101.11554	0.5
102.56958	0.3
103.05485	1.5
105.03400	0.7
105.07027	1.4
107.04967	1.6
107.08572	1.0
109.06528	0.3
109.10149	0.5
110.06054	1.3
110.07111	0.3
111.00807	0.6
111.04443	1.5
115.05405	0.4
117.07008	1.0
119.04934	0.3
119.08558	1.4
120.08118	7.1
121.02877	7.1
121.06484	0.7
121.10149	0.7
123.00811	2.0
123.04412	0.5
125.02383	0.8
125.74260	0.3
127.03923	0.7
128.07045	0.6
131.04970	2.0
131.08553	0.4
133.02827	0.4
133.10156	0.9
135.04457	0.4
135.07956	0.5
135.11691	0.8
137.02353	2.1
137.05977	3.0
139.08664	0.3
140.06024	0.4
141.01819	1.4
141.06895	0.4
141.11490	2.4
141.59636	0.3
141.61670	0.7
145.06503	1.6
145.10114	0.8
147.04427	0.4
147.11685	0.8
149.02359	1.0
149.05977	1.0
149.09549	0.3
151.00282	0.8
151.07535	1.2
151.11215	0.5
153.01817	4.8
153.05437	0.6
153.06952	0.9
154.12280	0.6
155.04874	1.1
155.06006	0.5
155.08548	0.7
155.11205	1.0
157.06458	0.4
157.10117	0.5
159.04375	0.7
159.11729	0.5
159.40479	0.4
161.05980	0.4
163.03897	0.5
163.07532	0.6
163.64388	0.9
165.01871	0.8
165.07048	2.2
167.07080	0.5
168.05675	0.6
169.01320	6.6
169.06436	0.6
173.05984	1.8
175.14793	0.3
181.01321	1.4
181.06465	0.5
182.15414	3.6
183.02888	0.5
183.04433	1.3
183.08035	2.2
183.15764	0.5
187.03902	0.9
196.05211	0.7
197.05882	0.6
199.07442	0.5
199.18044	1.5
201.05429	1.6
204.66501	0.8
205.05009	0.8
209.16522	0.8
210.14864	2.0
211.07562	1.6
213.05486	0.5
213.17786	1.7
213.67964	0.4
215.10789	0.4
218.66226	0.5
226.19144	0.5
227.07053	0.4
227.17522	1.3
229.04967	3.2
239.07025	0.8
242.09428	0.5
243.10222	1.3
245.08035	0.5
247.06020	0.8
256.07291	0.5
257.04440	3.0
257.08185	0.7
259.09698	0.3
271.09686	2.6
272.10474	1.7
274.04684	2.0
275.05267	0.6
285.03897	1.8
285.12128	0.6
285.24341	0.6
288.10208	1.0
303.04999	100.0
303.23123	1.0
304.05325	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03938	0.3
55.01866	0.5
55.05514	0.4
65.03929	0.8
67.01867	0.3
67.05493	0.5
67.45596	0.2
68.99789	2.3
69.03419	0.6
69.07053	0.3
70.63090	0.4
74.06072	0.2
79.05482	0.6
81.03422	0.9
81.07050	1.3
85.01095	0.3
86.00668	0.2
91.05479	0.6
93.03400	0.8
93.07035	0.8
95.04973	1.0
95.08654	0.9
102.91608	0.2
103.05457	0.6
105.03406	0.3
105.07008	1.2
107.04967	0.3
107.08603	0.7
109.02874	1.0
109.06542	0.2
109.10168	0.4
111.00808	2.3
115.05465	0.3
117.06998	0.6
119.08560	0.8
120.08128	0.9
121.02872	2.2
121.10135	0.4
123.04445	0.7
123.07991	0.2
127.03912	0.5
128.06192	0.3
131.04941	0.7
131.08531	0.3
133.02838	0.2
133.06483	0.2
133.10136	0.5
135.04425	0.7
135.11676	0.2
137.02356	7.8
137.03418	0.8
137.05962	1.2
138.05501	0.7
138.09122	0.3
141.01817	0.4
141.07076	0.2
143.04897	0.3
145.02846	0.3
145.06479	0.8
145.10094	0.5
147.11665	0.5
149.02362	0.8
149.06001	0.2
150.03104	0.2
151.03899	0.2
151.07529	0.5
153.01831	11.2
153.07019	0.4
155.04915	1.4
155.06055	0.3
155.08516	0.2
156.08432	0.4
157.06561	0.3
157.10135	0.3
159.04410	0.4
159.11723	0.3
161.05983	0.9
161.13237	0.4
163.03908	1.4
165.01859	4.0
165.07007	0.4
166.02638	0.5
166.04999	1.5
171.08075	0.3
173.05992	1.9
175.14825	0.3
177.01833	0.3
177.05467	0.3
179.03418	0.6
181.06544	0.2
183.02885	1.6
183.04434	1.2
183.08038	0.6
185.06004	0.4
186.06654	0.2
187.03830	0.9
191.03387	0.3
191.07103	0.2
195.02930	0.5
197.06053	0.3
199.07504	0.2
200.04695	0.3
201.05479	4.4
201.09099	0.7
205.05005	0.2
207.02849	0.4
211.03896	0.5
211.07532	1.0
213.05429	0.6
213.14105	0.2
214.12242	0.2
215.03409	0.7
219.03021	0.3
219.06544	0.4
227.17986	0.2
228.04216	0.8
229.04970	9.5
239.03430	0.6
239.07213	0.4
241.08653	0.5
243.06509	4.2
243.09215	0.2
243.10229	0.3
245.04494	0.4
247.06023	1.4
253.08534	0.2
257.04453	4.9
257.08093	0.6
257.12936	0.3
271.09753	0.9
272.10373	1.1
274.04761	1.7
275.05582	0.2
275.13773	0.2
285.03976	2.4
285.12305	0.8
286.04770	0.2
288.06232	0.7
288.09702	0.2
297.50711	0.2
303.05017	100.0
303.08432	5.0
303.12796	2.2
303.23111	1.1
304.05402	1.6
305.62741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20704	0.1
53.03922	0.1
55.01870	1.0
55.54889	0.1
55.74664	0.1
65.03931	0.3
68.99791	1.8
69.03433	0.3
69.16845	1.6
70.06596	1.5
71.01369	0.2
71.04980	0.2
71.06917	0.2
73.39157	0.2
79.05478	0.7
81.03407	0.3
83.20301	0.2
84.08125	0.5
85.02914	0.3
86.09712	0.3
91.05493	0.4
93.03429	0.2
95.00784	0.2
95.01318	0.8
95.04948	0.4
95.08594	0.2
97.02908	0.3
103.05453	0.3
105.03376	0.8
105.07037	0.2
107.01353	0.2
107.04947	1.5
109.02872	0.3
110.07168	0.6
111.00785	0.3
111.04433	0.3
113.02359	0.2
114.05501	0.1
115.05462	0.3
116.03021	0.2
116.07111	0.2
117.03338	0.2
117.06997	0.7
119.05000	0.2
120.08099	0.4
121.02873	7.8
121.03873	0.3
123.00788	2.8
123.04444	0.2
125.02352	0.7
127.00269	0.2
127.03941	0.2
129.06999	0.2
131.04926	1.7
132.08078	0.4
133.02823	0.3
133.06415	0.3
133.08424	0.4
135.04445	0.5
137.02373	1.1
137.06001	0.8
139.00269	0.2
141.01808	0.5
142.02647	0.2
143.04953	0.2
144.10202	0.3
144.13815	0.2
145.02840	0.4
145.06485	1.4
147.04408	0.4
147.21266	0.1
149.05927	0.3
151.00276	0.7
151.03940	0.2
153.00587	0.2
153.01820	2.8
153.05356	0.2
153.07039	0.2
155.04906	1.1
155.06079	0.4
157.06538	0.4
159.04356	0.7
159.09151	0.5
160.09512	0.7
161.05980	0.2
163.03947	0.2
165.01817	0.4
165.06958	0.2
169.01332	7.5
171.02853	0.6
171.04369	0.2
171.06358	0.2
173.05949	1.5
177.05466	0.5
181.01326	2.0
183.02974	0.2
183.04428	1.4
183.08018	0.3
185.00877	0.2
187.03976	0.8
200.04698	0.2
201.05428	1.7
211.03937	0.5
211.07542	0.2
213.05566	0.2
215.03421	0.2
215.10628	0.2
229.04961	3.0
230.52386	0.2
239.03381	0.2
247.05992	1.0
257.04459	2.1
258.05063	0.2
274.04709	1.2
275.05508	0.6
285.03912	1.6
285.12280	0.3
286.12576	0.6
303.04996	100.0
304.05289	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.1
55.01871	7.7
56.96572	19.6
57.03436	18.6
61.02930	30.9
69.03429	35.9
69.82518	17.5
70.06576	8.7
71.04650	3.2
71.04994	27.1
71.57355	2.9
72.08151	7.5
73.02927	17.1
81.03445	6.7
81.04543	5.5
84.08120	8.7
85.02908	62.4
87.04449	4.8
88.99126	4.6
91.03960	4.2
95.06076	9.4
96.01559	3.0
97.02899	25.6
98.06071	16.3
98.97592	55.6
99.04436	13.4
101.00841	6.8
109.02895	5.0
110.01261	11.5
110.97556	13.1
111.05572	3.8
113.02357	4.6
115.02370	4.1
116.01273	3.7
116.07085	13.8
116.98615	13.5
119.01808	19.5
123.05595	21.6
124.95491	8.0
124.99112	3.6
127.03927	17.1
128.02347	19.6
128.98631	16.7
129.10233	11.0
130.08652	4.6
131.01845	3.6
133.06070	3.4
133.37387	3.0
137.01773	3.4
137.02829	5.4
140.08267	3.0
141.05502	6.7
141.06589	99.6
143.01811	6.8
145.04948	8.0
146.02327	5.1
146.99625	6.2
152.02356	4.5
153.01328	3.9
156.98135	4.8
158.99625	12.8
161.02831	6.7
162.01755	4.8
168.01801	5.2
169.02592	7.2
170.99571	7.7
174.01808	5.1
174.99216	5.4
177.02330	6.3
182.03261	4.9
183.02321	15.0
184.97542	7.7
186.99281	4.5
188.97110	4.4
189.00682	11.9
190.08551	3.8
191.03918	16.5
192.02788	6.1
195.02353	3.8
200.04378	9.7
201.00728	6.6
204.02840	24.9
205.00206	3.7
212.97029	4.9
213.03343	40.9
213.53519	4.4
214.98621	4.4
217.00165	7.8
219.01776	9.2
222.03865	14.7
230.98030	7.8
235.01288	4.5
235.10794	8.8
237.02855	3.8
244.99670	3.6
250.10818	3.7
263.00800	8.1
275.00656	3.7
303.10571	100.0
303.15375	35.0
303.61130	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	303.0865
Annotation	Acetylmelodorinol
Peak:m/z	Relative Intensity
51.16822	0.3
53.03934	0.4
55.01862	1.2
55.05500	0.4
55.71270	0.3
63.95162	0.3
67.05495	0.8
67.63189	0.3
68.99774	0.3
69.03403	0.4
69.07075	0.4
70.56519	0.6
79.05479	0.8
81.07063	1.4
81.83136	0.3
85.02898	0.5
85.06599	0.3
91.05487	1.1
93.07068	1.3
95.04948	0.8
95.08591	0.9
97.06563	0.3
97.10146	0.3
99.04420	0.3
103.05453	0.8
105.07040	1.2
107.04984	0.5
107.08581	1.5
109.06524	0.5
109.10144	0.5
117.07002	0.7
119.04917	0.4
119.08556	1.1
120.08112	1.9
121.06495	0.8
121.10125	1.1
127.03873	0.3
128.06155	0.3
129.06981	0.7
130.90216	0.3
131.04932	0.4
131.08530	0.5
133.06493	0.3
133.10129	0.3
135.11656	0.4
137.05984	1.7
141.01749	0.4
141.07045	1.4
144.05731	0.9
145.06491	0.6
145.10144	0.7
147.04367	0.5
149.05988	0.6
149.09627	0.4
149.13275	0.3
151.07602	0.7
151.11121	0.3
152.06209	0.4
153.01849	0.3
153.05426	0.6
153.07002	0.6
155.04909	0.7
155.08543	0.7
156.05724	2.3
157.02913	0.4
157.06517	0.7
157.10132	0.5
159.08081	0.7
159.11714	0.7
161.05951	0.3
165.07005	1.5
168.05711	1.8
169.06528	0.7
171.04465	0.4
171.08040	0.4
172.05209	1.0
175.11212	0.4
181.06491	0.9
182.07227	0.5
183.04405	0.5
183.08069	1.0
184.05197	0.5
185.05984	2.0
185.53967	0.3
186.06750	0.6
187.03935	0.4
187.07555	1.0
193.06567	0.3
196.05286	0.6
197.05904	0.5
198.06749	1.4
199.07626	0.8
200.04675	4.7
201.05431	0.9
204.04285	0.4
209.05960	0.3
210.06726	0.3
211.03923	0.3
211.07515	1.8
211.15097	0.4
213.05495	3.5
213.09122	0.5
215.03407	7.9
215.06914	0.4
226.06233	1.1
228.04169	2.5
229.04991	3.3
241.06653	0.2
241.08607	9.6
243.06543	100.0
244.06953	0.9
267.17291	0.3
271.09668	1.4
272.10403	0.3
285.07794	0.4
303.05017	3.2
303.08682	1.5
303.12363	0.8
303.19894	0.5
303.23203	0.9
317.11292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0865
Annotation	Disporopsin
Peak:m/z	Relative Intensity
53.03949	0.7
55.01872	0.9
55.05511	0.5
65.03938	0.7
67.01531	0.5
67.01867	5.9
67.05502	0.8
68.99439	0.4
68.99788	4.7
69.03423	1.8
69.07064	0.3
70.06583	0.7
71.50851	0.5
79.01820	0.4
79.05498	3.2
80.05010	0.8
81.03422	1.5
81.07064	1.4
83.01340	0.4
83.04972	0.5
84.08119	0.5
85.02929	0.3
89.03922	2.7
91.05489	3.1
93.03403	1.3
93.07042	2.8
93.94421	0.3
94.06582	0.6
95.04972	2.5
95.08627	0.6
97.02890	1.2
99.04455	0.4
103.05470	2.7
105.05793	0.6
105.07061	1.4
106.04170	0.3
107.04971	0.6
107.07324	0.5
107.08586	0.9
109.02881	1.3
111.00813	2.3
111.04428	0.7
115.05415	0.4
117.03386	8.2
117.07034	0.9
118.06553	0.7
119.04946	0.9
119.07334	0.8
119.08607	0.8
120.08109	11.5
121.02877	2.2
121.06487	0.7
121.10133	0.6
121.83239	0.4
122.03608	0.3
122.06004	1.4
123.04450	1.7
125.02375	1.0
125.05982	0.8
127.03925	1.0
128.06216	0.4
129.01842	0.4
129.07018	0.4
131.04938	1.1
131.08580	0.5
131.77618	0.4
133.02786	0.4
133.06448	0.3
133.10091	0.4
134.03629	0.8
135.04396	1.0
135.08067	0.4
136.03952	1.8
136.04901	0.3
136.07567	0.6
137.02348	7.8
137.03400	0.6
137.05971	5.3
140.07054	0.6
141.01854	1.0
143.08618	0.4
145.02852	14.1
145.06494	1.0
145.10136	0.7
147.04442	0.4
147.11719	0.4
148.07581	31.7
149.02368	0.7
149.05975	2.8
151.03929	0.8
151.07549	3.3
153.01834	78.0
153.05428	1.1
153.06975	0.8
154.02130	0.5
155.04877	0.8
155.08566	0.6
157.10120	0.5
159.04448	0.4
159.11740	0.5
160.11250	0.4
161.06006	0.8
161.13214	0.4
163.03918	1.9
163.07545	0.4
165.01871	3.2
165.07031	1.5
166.02641	0.6
168.05652	0.6
169.06499	0.6
169.08882	0.4
171.02895	13.3
172.07677	0.3
173.05960	1.2
175.07495	0.3
177.05476	20.1
179.03413	4.5
181.06499	0.6
182.07286	0.3
183.02904	1.6
183.04440	0.8
183.08038	1.6
184.11182	0.5
186.09215	0.6
187.03952	1.3
191.03452	0.4
193.06512	0.3
195.02859	0.8
196.05222	0.5
197.05962	0.4
198.09221	0.5
201.05495	4.7
205.05005	0.4
211.03929	0.6
211.07518	1.8
212.10716	1.2
213.05510	0.5
213.10277	0.5
214.11031	0.3
215.11819	1.1
219.06523	0.9
228.04155	1.0
229.04970	10.4
229.13330	3.0
239.03409	0.3
239.07130	0.4
240.10266	0.4
243.11137	1.3
247.06003	1.3
257.04446	5.2
257.12875	11.9
261.07660	0.4
271.09613	1.7
274.04819	1.8
275.13696	0.4
285.04028	2.5
285.07431	0.7
285.12350	15.0
285.22119	0.3
288.09778	0.5
303.05017	100.0
303.08643	28.7
303.13028	3.6
303.23141	0.8
304.05322	1.6
304.08673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1229
Annotation	Ethericin B
Peak:m/z	Relative Intensity
55.01905	0.6
56.11111	0.4
67.05566	0.7
68.24560	0.6
68.99834	0.7
70.45744	0.5
70.96115	1.0
71.05019	1.4
75.04493	0.8
75.81687	0.5
79.05536	0.8
81.03471	0.5
81.07079	0.7
85.02950	0.9
91.05526	1.4
92.48870	0.4
93.07087	1.1
95.05057	0.4
95.08638	0.8
98.97610	1.0
103.05515	0.6
105.07049	1.1
107.05054	0.7
107.08591	1.0
117.07019	0.5
121.02927	0.8
133.10197	0.8
137.02406	1.2
137.05995	3.3
141.07021	0.7
151.07616	0.8
152.06329	0.8
153.01884	1.4
153.06976	2.6
155.08595	1.0
161.06039	0.8
163.07635	0.7
165.01848	0.6
165.06990	4.4
166.28691	0.5
168.05759	0.8
169.06511	1.0
176.04761	0.8
181.06509	1.4
182.07239	1.0
183.08061	9.2
183.09491	0.8
184.05240	0.5
185.06055	1.7
190.16367	0.5
193.06601	1.6
195.04549	0.6
195.08044	2.2
196.05217	1.3
197.06003	3.4
199.07518	1.7
201.05487	0.9
201.09055	0.6
210.06775	1.2
211.07565	21.2
212.08318	1.0
213.05508	2.1
220.21414	0.5
221.06117	0.5
222.59622	0.6
223.03903	2.3
223.07596	2.1
224.04839	0.7
225.05547	2.4
225.09116	3.5
226.09880	2.3
227.07034	3.6
228.07747	1.2
229.04977	1.8
229.08640	6.2
239.07037	16.8
240.07834	3.1
241.04997	2.5
241.08621	2.3
242.05682	0.6
242.09407	1.4
243.06519	0.9
243.10229	2.2
245.08012	1.4
253.08644	4.7
254.09433	3.2
255.06500	1.6
255.10133	1.5
256.07333	1.1
257.08105	20.8
257.12332	1.0
268.10880	1.0
270.08908	0.6
271.09683	11.9
272.10449	100.0
273.07611	4.1
273.10944	2.6
285.11240	6.6
285.22079	0.7
288.09961	11.0
303.04984	15.5
303.12259	40.8
304.05209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1228
Annotation	Ethericin B
Peak:m/z	Relative Intensity
55.01893	0.4
56.64905	0.3
59.87909	0.4
65.03955	0.4
68.99821	0.5
70.00159	0.5
75.04511	0.9
95.04984	0.4
95.08619	0.5
98.21526	0.9
105.07064	0.6
109.02926	0.6
111.00851	0.7
120.08138	0.8
121.02894	0.6
123.04489	0.6
125.92686	0.4
127.03905	0.5
137.02415	1.5
153.01819	3.0
153.07050	1.3
155.04967	0.5
158.94058	0.4
165.01888	1.4
165.07018	2.7
167.04961	0.5
168.05768	1.1
169.06461	0.7
173.06009	0.6
176.04697	0.7
181.06499	1.2
182.07274	0.8
183.03026	0.7
183.04517	0.6
183.08069	8.6
185.05998	1.1
187.03992	0.7
191.07112	0.5
193.06526	1.1
195.04500	0.9
195.07968	1.8
196.05238	1.0
197.06047	3.6
199.07564	1.4
201.05565	1.3
201.09050	0.8
209.06044	0.6
210.06755	1.0
211.05544	0.8
211.07555	17.2
212.08257	1.3
213.05487	2.4
213.08833	0.4
221.06099	0.6
223.03940	1.4
223.07492	2.7
225.05566	2.0
225.09109	3.6
226.06252	0.5
226.09877	2.5
227.07034	3.2
228.07735	0.6
229.05061	2.8
229.08635	5.9
239.03452	0.5
239.07047	14.3
240.07750	2.4
241.05035	2.3
241.08652	1.3
242.09277	1.7
243.10172	1.0
245.08092	1.2
253.08667	4.6
254.09366	4.9
255.06586	1.3
255.10213	1.7
256.07352	1.4
257.04529	1.3
257.08112	19.9
268.10971	0.9
270.08926	1.1
271.09686	11.0
272.10446	100.0
273.07599	3.7
273.10974	3.3
285.11206	6.5
288.09933	10.0
303.05057	29.6
303.08780	2.2
303.12244	39.0
304.05338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01867	0.8
65.03941	0.7
67.01868	5.1
67.05498	1.7
68.99796	5.3
69.03420	2.1
69.07073	1.0
69.62481	3.7
70.06572	1.4
73.17135	0.6
75.35264	0.5
77.03914	0.7
77.69804	0.5
79.05493	8.3
80.05022	1.9
81.03416	2.4
81.07049	1.7
83.01321	0.6
87.00814	0.5
89.03908	2.7
91.05476	6.5
93.03406	0.7
93.07052	7.9
94.06551	2.2
95.04976	2.3
95.08604	2.3
96.42017	0.6
97.02909	1.3
102.42393	0.6
103.05471	6.8
105.05761	1.5
105.07020	1.7
107.04955	1.7
107.07333	1.2
107.08564	1.1
108.04442	0.7
108.08153	1.4
109.02874	1.5
109.10130	0.8
110.06061	1.7
111.00794	2.1
115.05518	0.7
117.03388	6.2
117.06990	1.5
118.06541	2.3
119.04961	0.8
119.07309	2.1
119.08562	0.8
120.08113	41.5
121.02879	2.9
121.06503	1.1
122.06046	5.8
122.09657	0.7
123.04404	1.5
123.08086	0.6
125.02354	0.8
125.06001	1.2
127.03913	0.7
129.07008	0.6
131.04984	1.6
132.08087	0.7
133.10136	1.8
134.03625	0.6
134.06001	0.7
135.04436	1.6
135.11664	0.7
136.03949	7.3
136.07538	1.0
137.01376	0.8
137.02365	7.0
137.05984	11.7
138.05490	1.1
140.07063	0.9
141.01846	1.9
142.58139	0.6
144.08080	1.0
145.02853	13.5
145.10081	0.8
147.08112	0.6
147.11696	1.2
148.07579	100.0
149.02365	1.3
149.05992	3.5
149.08076	0.6
149.08295	0.6
150.09166	1.9
151.03899	0.9
151.07558	3.9
153.01837	70.4
153.05435	1.9
153.06961	1.8
155.04921	1.5
155.08568	1.4
157.10143	1.0
158.09624	1.0
159.11694	0.7
161.05998	0.8
163.03925	1.5
163.07585	1.4
165.01840	3.3
165.06915	2.7
168.05766	0.8
169.01283	0.6
169.08847	0.9
171.02914	8.5
171.04292	1.1
172.07599	0.7
173.06032	1.3
177.05486	19.5
179.03423	4.1
181.06491	1.0
183.02904	1.2
183.04565	0.7
183.06682	0.6
183.07993	2.9
184.11241	2.2
185.05939	0.8
186.09138	1.4
187.03903	0.8
188.10797	1.0
196.05206	1.0
198.09181	2.0
199.08855	1.1
201.05460	3.8
201.14038	0.6
211.07513	3.0
212.10637	3.3
213.05759	0.6
213.10237	2.1
214.11031	1.1
215.11809	2.1
219.06462	0.7
227.08275	0.8
228.04219	1.0
229.04945	7.7
229.13377	11.1
239.07031	0.8
240.10300	1.4
242.10585	0.9
243.11166	4.6
247.06177	1.2
257.04538	4.4
257.12863	39.7
271.09668	4.3
274.04749	0.7
275.13904	1.3
285.03815	1.4
285.12344	54.3
286.12689	0.9
303.05026	85.6
303.08661	26.7
303.13397	16.5
303.23148	1.6
304.05331	1.9
304.08884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
55.01868	3.0
55.05503	1.8
56.96550	1.7
57.03436	5.1
60.04528	9.1
61.02929	4.2
64.18375	1.4
69.03436	17.3
69.07076	44.1
70.06596	3.1
70.75811	3.0
71.04997	2.0
71.08639	22.6
72.08160	3.5
73.02951	1.5
73.27610	1.3
81.03433	7.6
84.04515	4.5
84.08149	3.4
85.02911	71.0
86.02423	7.4
86.09696	2.6
87.04493	1.6
91.03957	1.6
96.04490	1.5
96.08141	2.7
97.02898	44.6
97.06533	4.6
98.97598	2.8
99.04454	1.9
103.03946	6.2
103.78088	1.2
107.04961	1.4
109.02880	14.5
110.02460	1.8
114.05600	1.4
114.09174	19.1
120.08125	1.4
124.03951	1.2
127.03928	16.6
138.06384	1.3
138.09157	4.0
142.08641	100.0
145.04932	7.5
156.10240	2.5
168.07372	1.7
173.01286	1.8
184.09706	78.7
208.09705	14.5
220.09761	2.4
250.10722	10.7
251.21893	1.4
281.01788	1.7
286.12604	2.1
304.05502	3.4
304.13913	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
53.34386	1.1
57.03431	4.5
57.04176	1.2
60.04531	7.1
60.59961	1.1
61.02935	5.8
66.22110	1.1
67.29084	1.2
68.49342	1.1
69.03426	14.1
69.07070	41.1
69.44949	8.4
70.06589	2.5
71.04994	1.2
71.08640	19.7
72.08165	1.6
73.02906	2.3
81.03414	7.3
84.04498	5.2
85.02911	65.8
86.02441	8.0
86.09706	2.5
96.04492	2.0
96.08151	3.6
97.02897	44.0
97.06526	5.8
98.20769	2.5
99.04462	3.8
103.03961	6.5
109.02885	13.7
114.09171	16.9
124.07594	2.8
127.03928	14.8
138.09172	3.5
142.08646	100.0
145.04985	6.2
156.10217	2.5
161.07875	1.3
166.08684	1.5
184.09703	74.3
192.55716	1.2
193.77916	1.2
208.09708	14.3
220.09769	2.7
222.35117	1.1
238.10721	2.7
250.10831	9.4
260.06723	1.3
291.23349	1.1
304.05328	6.7
304.13934	3.1
305.15710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	3.0
56.96568	4.0
57.03437	1.2
58.06604	1.3
62.06092	0.9
69.03428	2.3
69.07079	3.6
69.07398	0.8
69.33098	0.5
70.02954	0.9
70.06599	11.5
71.05001	1.2
71.06937	0.7
71.50010	0.7
72.08157	2.0
73.02942	0.9
74.02423	1.3
74.06087	6.1
79.05486	1.4
81.03432	1.0
81.05778	0.7
81.07068	1.0
84.04501	3.8
84.08148	4.2
85.02911	4.0
86.06107	0.8
86.09711	100.0
87.04502	0.7
87.05563	0.6
87.10040	1.6
88.03986	1.9
89.07181	0.6
95.04985	0.6
96.04523	0.5
96.08154	2.4
97.02919	2.4
98.06073	0.6
98.70644	0.5
98.97591	7.6
99.04477	0.7
101.07139	3.2
102.05543	1.1
107.04943	3.2
110.06073	1.6
110.07172	1.7
110.97577	1.3
111.07513	0.9
112.07577	0.8
112.08746	0.6
112.99093	0.8
116.03497	0.7
116.07121	1.8
116.98610	1.4
120.06596	2.6
120.08090	0.7
124.07606	19.4
126.12768	0.8
127.03940	1.6
127.04976	0.6
127.08685	1.3
128.07104	1.6
128.98592	0.9
129.10271	2.5
130.04988	0.8
132.10286	0.7
133.02902	0.9
134.04518	1.8
136.07654	0.6
137.05956	0.9
138.09126	0.9
138.86740	0.6
140.07104	0.8
141.10249	1.5
142.08635	8.0
142.12289	2.3
143.00195	1.0
143.11809	40.1
148.21909	0.6
155.00217	0.7
155.08167	0.8
156.10208	1.6
157.13376	21.2
158.09323	0.6
158.99742	0.7
167.06989	0.7
171.11302	9.7
173.01250	1.5
173.09314	1.0
175.11971	1.2
177.00804	0.8
184.03888	0.7
184.11656	0.7
185.09332	1.0
185.12859	5.5
187.14438	17.0
193.04416	4.4
200.14050	0.6
201.12399	9.2
201.14235	1.3
202.04967	1.4
208.05283	0.9
215.13953	3.9
219.01717	0.8
229.11995	1.2
233.15109	0.9
237.02811	0.7
241.03922	0.8
268.11859	0.8
271.04535	0.7
276.18292	0.8
286.14471	0.8
286.17636	2.7
304.13165	1.0
304.16196	1.5
305.12073	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1656
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
55.05515	14.2
56.05051	1.1
57.05833	1.4
57.06083	0.6
60.65510	0.7
70.06571	1.0
70.56538	2.0
72.08160	100.0
73.07376	0.7
84.08144	0.9
98.06068	2.5
99.09235	2.2
115.05478	2.2
116.07116	2.0
116.41640	0.6
117.05745	1.2
117.07039	1.3
118.06528	6.1
127.08726	2.8
130.06552	10.3
132.08096	19.5
142.06526	4.1
143.07329	1.3
144.08095	21.4
144.09248	1.1
146.06015	30.9
159.09186	38.0
160.07704	1.0
169.01396	0.9
170.06039	10.2
188.07077	66.2
205.09740	50.2
205.11688	1.7
233.95343	0.8
258.16135	1.2
259.14465	1.5
287.13895	17.6
304.05261	8.4
304.16559	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	304.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
56.05036	2.1
56.96571	3.8
57.03443	0.6
60.05664	0.7
61.02910	0.8
62.06087	0.9
69.03445	2.5
69.07067	3.5
69.92120	1.7
70.02948	0.6
70.06593	6.5
72.08164	1.5
72.93792	0.5
73.02930	0.8
74.06085	3.9
79.05501	1.0
81.03432	0.8
81.07072	0.8
82.06609	0.7
83.06109	0.5
84.04516	1.9
84.08152	3.8
84.96033	0.6
85.02905	3.6
86.06091	0.5
86.09713	100.0
87.04472	0.6
87.10058	1.6
88.04002	1.8
96.08139	1.3
97.02923	2.4
98.20721	0.5
98.97591	7.2
99.04512	0.5
101.07143	1.6
102.05562	1.2
107.04980	2.6
110.06025	0.8
110.07188	1.0
110.97606	2.1
112.08746	1.1
114.09252	0.6
116.07097	0.8
116.98640	1.6
120.06583	3.1
120.08115	0.5
120.25900	0.5
121.06525	0.7
124.07603	11.5
125.07959	0.5
127.02328	0.5
127.03935	1.3
127.04959	0.8
127.08715	0.6
128.04306	0.5
128.98636	1.2
129.10274	2.1
130.05075	0.5
131.00211	0.7
132.10242	0.6
133.02864	2.0
134.04501	2.2
137.06026	0.9
138.09142	0.5
140.07104	0.6
140.98643	0.5
141.10303	0.6
142.08656	6.0
142.12331	1.0
143.00186	1.0
143.11810	32.4
145.04982	0.5
146.99620	0.7
149.06021	0.9
155.42593	0.5
156.10248	0.6
157.13380	29.8
158.99692	0.6
171.11320	8.5
173.01299	1.0
173.09296	0.8
175.11960	1.0
177.00740	0.6
183.11334	0.5
184.03944	1.4
185.09293	1.1
185.12857	7.9
185.14398	0.7
187.14444	7.1
190.95451	0.5
193.04402	6.3
200.14005	0.6
201.12411	4.4
201.14214	1.6
202.05006	1.6
203.13918	0.7
215.13875	2.5
219.01833	1.0
229.11774	0.7
229.13858	0.6
237.02910	0.8
241.03868	1.1
271.04727	0.8
276.18405	0.8
286.17694	2.1
304.13205	0.8
304.16254	0.9
305.12292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
55.22812	0.4
56.05040	7.0
57.03444	0.9
57.07082	3.0
58.02959	0.4
58.06629	0.4
60.04529	100.0
66.26850	0.4
67.05507	4.2
69.03437	0.4
69.07074	4.9
69.56618	2.4
70.06593	1.2
71.08646	1.5
72.04525	0.8
74.06079	2.3
79.05482	2.2
81.07067	3.1
82.06583	0.8
83.05000	0.7
83.08623	3.2
85.10191	0.4
86.06084	1.3
90.05573	1.4
91.05504	1.3
93.07058	1.5
95.08610	3.4
96.08133	0.8
97.06594	0.7
97.10186	1.8
98.20740	0.5
107.08617	1.1
109.10151	2.0
111.11680	0.4
121.10191	0.9
123.11726	0.4
131.08522	0.4
135.11751	0.4
164.56554	0.4
227.75133	0.4
238.25288	1.8
240.26836	0.9
250.25256	2.8
251.23682	0.8
256.26315	3.0
268.26370	15.9
286.27408	18.0
287.27902	0.4
304.28473	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87700	0.7
56.96571	58.7
66.38494	0.8
69.03435	1.5
70.06584	1.8
70.44212	2.3
70.98128	42.1
71.95272	9.4
72.08145	2.1
72.96037	3.0
74.97612	0.9
82.99812	0.9
84.08142	1.6
84.96055	4.6
84.99084	0.6
85.02906	2.0
86.09727	0.8
88.99168	6.1
97.02890	1.4
98.97591	100.0
101.00894	2.5
110.97579	8.8
112.99149	5.0
113.00892	1.1
115.00710	2.6
115.02441	1.5
116.98634	30.2
116.99467	1.6
119.01954	1.9
124.95488	16.0
124.99093	3.9
126.97060	3.0
127.00728	0.8
127.04001	0.8
128.98613	10.5
129.01315	0.7
131.00169	2.9
131.01950	1.6
131.05594	2.5
133.01697	1.4
134.99660	5.9
138.97078	1.1
140.98613	3.1
142.96542	10.1
143.00183	6.1
143.01927	1.8
143.08192	2.1
144.98080	2.5
145.01740	3.3
145.03520	1.1
146.91891	0.8
146.99660	5.7
149.01259	1.3
149.06577	1.4
152.94942	6.4
154.96527	9.1
155.01903	1.9
156.98105	5.5
158.97433	0.8
158.99673	9.1
160.97679	1.5
161.01277	2.4
161.02994	2.8
161.06607	2.3
163.02914	0.8
165.00764	2.0
170.96028	18.2
170.99663	1.9
172.97591	15.6
173.01187	4.2
173.06668	1.6
174.99141	8.7
177.00723	5.4
182.99751	1.3
184.97604	11.4
185.01309	1.7
185.02974	1.6
185.06679	1.8
186.99152	5.9
188.97084	23.5
189.00731	9.6
190.98654	11.0
191.02348	3.2
191.93022	0.7
193.00246	4.6
201.00806	3.1
202.98663	15.0
203.04080	1.5
203.07747	2.5
205.00188	5.2
206.98187	5.7
207.01891	3.3
212.97112	6.7
214.98624	10.7
215.07700	3.4
217.00240	4.6
219.01874	2.1
220.99715	12.5
221.05176	1.8
223.01315	2.1
230.98145	21.8
232.96495	1.1
232.97182	1.0
232.99706	11.8
235.01274	3.8
239.00838	1.5
244.99657	7.2
245.05264	1.6
248.99226	7.4
251.00856	1.3
263.00760	17.8
267.00348	1.1
275.01016	1.3
281.01822	14.3
281.04660	1.1
293.01883	0.9
299.02878	0.9
305.02292	1.6
305.05685	1.4
305.12134	42.0
323.03067	0.8
323.06454	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0185
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	65.0
61.02910	0.9
62.14643	0.8
66.17985	0.8
69.03446	1.4
70.06598	2.0
70.98125	42.7
71.49660	1.1
71.95267	7.4
72.96042	3.3
73.17625	1.0
84.08140	2.8
84.96040	5.5
85.02922	1.7
85.22098	1.0
88.21513	0.8
88.99160	6.0
97.02909	1.3
98.97588	100.0
101.00906	2.2
103.85143	1.0
110.97562	9.3
112.99155	4.6
113.00911	1.6
115.00737	3.3
115.02496	1.4
116.98626	31.2
119.01941	2.9
124.95491	17.6
124.99104	4.7
126.97073	3.4
127.00733	3.1
128.98610	11.5
131.00198	2.8
131.05591	2.8
133.01849	1.3
134.99710	5.0
138.97145	1.1
140.98665	3.5
141.47861	1.1
142.96553	9.8
143.00169	6.2
143.01921	1.9
143.08150	1.2
144.98117	2.6
145.01759	3.1
145.03564	1.1
146.91917	1.0
146.99693	7.7
149.01271	1.6
149.06711	1.0
152.94943	5.0
152.98538	1.0
154.96515	8.6
155.00189	1.3
156.97005	1.0
156.98083	5.2
158.99629	8.5
160.97630	2.1
161.01271	2.3
161.03094	1.7
161.06613	2.0
165.00768	2.0
170.96019	22.5
170.99742	1.7
172.97595	20.0
173.01308	3.7
173.02991	2.0
174.99170	10.5
177.00754	5.0
182.99791	1.7
184.97591	12.0
184.99092	1.0
185.01282	2.1
185.06537	1.1
186.99112	7.0
188.97087	21.1
188.98712	1.3
189.00671	8.2
190.98653	12.9
191.02365	3.4
193.00139	5.3
201.00838	4.0
202.98645	18.2
203.02390	1.5
203.04050	1.5
203.07764	2.7
205.00197	5.6
206.98106	4.7
207.01770	4.7
208.99733	1.9
212.97028	7.1
214.98624	11.8
215.07768	3.9
217.00301	4.8
219.01921	3.9
220.99719	9.3
221.05231	1.7
223.01357	1.2
230.98148	24.2
231.00211	1.6
232.99699	10.9
233.12564	1.0
235.01346	2.3
239.00766	1.2
239.07681	1.6
244.99669	7.5
245.05316	1.3
248.99229	8.8
263.00778	19.4
281.01788	18.0
281.04745	1.5
299.03140	1.6
305.02020	2.1
305.06363	1.4
305.07861	1.9
305.12119	36.7
323.06610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0632
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
55.05491	1.2
56.96572	1.0
60.04519	1.1
61.62286	1.0
66.49442	1.1
69.03410	3.0
70.06609	6.9
70.12327	2.8
70.12727	1.7
72.08145	4.4
73.08484	1.6
74.06071	2.7
79.05468	1.5
81.03410	1.7
83.06071	0.9
84.04467	1.5
84.08129	4.7
85.02881	2.3
86.09682	3.3
87.10021	1.2
91.05463	1.2
96.08085	1.1
96.93029	0.9
97.02853	1.7
99.04437	1.2
101.20111	1.1
107.04939	4.5
109.02855	1.6
110.07164	1.6
113.05994	1.3
120.08118	1.6
123.84811	1.1
129.10225	3.2
132.95891	1.5
133.10429	1.3
136.07588	2.1
147.04378	1.2
160.11577	1.7
161.10791	1.0
165.03989	1.8
174.09561	1.2
174.96889	1.6
183.04999	1.5
215.18205	1.3
221.01175	1.2
234.99042	1.2
239.93777	1.1
259.06116	1.0
279.62540	1.2
305.06302	100.0
306.06406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.7
53.03940	3.0
55.01881	3.5
55.05503	1.4
62.79243	0.6
65.03949	0.8
67.05510	1.2
68.99789	1.1
69.03432	31.7
69.07059	1.4
69.29100	3.7
69.29517	2.1
70.06599	0.8
71.04989	5.6
73.02924	1.0
79.05511	1.3
81.03415	5.8
81.07053	2.7
83.01342	6.3
83.04969	1.1
84.99373	0.7
85.02897	1.2
91.05485	56.4
93.07031	1.4
95.08604	2.2
97.02888	8.8
99.04457	8.9
105.03391	2.1
105.07032	6.0
107.04992	0.8
107.08586	2.8
109.02851	3.7
109.10159	1.9
115.03939	4.7
115.05457	8.7
117.07014	1.4
119.08556	1.5
121.10115	1.2
123.11712	0.9
127.03922	17.1
133.06494	4.8
133.10199	0.8
135.07985	0.8
135.11720	0.7
137.09599	1.1
143.04935	1.2
145.04967	100.0
145.10091	1.0
146.05273	0.7
147.11871	0.8
149.13234	1.4
161.05989	44.4
163.11281	0.7
165.06926	0.7
175.14902	0.8
287.23584	1.0
305.11530	2.6
305.24872	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	305.102
Annotation	Wentilactone A
Peak:m/z	Relative Intensity
55.01865	0.8
55.05511	0.7
67.05510	0.3
69.03412	1.2
69.07063	0.5
69.98127	0.7
69.98524	0.7
70.06595	0.4
71.04978	0.4
79.05501	0.6
81.03413	0.7
81.07057	1.7
83.08602	0.4
91.05486	5.2
93.07037	1.1
95.04946	0.3
95.08622	0.8
98.21427	0.5
105.07028	1.0
107.04952	0.5
107.08581	1.3
109.10176	0.6
115.05471	0.7
119.04927	0.6
119.08568	0.5
121.02981	0.3
121.06485	0.6
121.10143	1.1
123.11742	0.3
127.03884	0.6
128.06181	0.5
129.07011	1.7
131.04942	0.5
131.08525	0.6
133.06456	0.4
133.10129	0.6
135.11726	0.6
137.13202	0.3
144.05722	1.9
145.05014	1.6
145.06467	1.4
146.07286	0.9
147.08015	0.5
147.11635	0.3
149.13281	0.6
156.05724	0.6
157.06535	0.7
158.07295	2.4
159.04395	0.6
159.08037	1.4
161.05951	1.8
161.09622	4.8
163.14693	0.5
168.05705	0.6
169.06482	0.4
171.08037	1.2
173.05986	0.5
174.06764	6.2
175.07527	1.4
177.09143	0.3
183.07953	0.4
185.06061	0.7
186.06755	0.5
187.07562	2.5
188.08327	3.2
189.09125	15.8
191.06999	0.6
197.05969	1.3
199.07512	0.5
201.05554	0.4
201.09106	0.5
202.06242	3.1
212.08325	2.1
213.05466	1.2
215.07028	0.4
215.10699	2.1
216.07802	0.9
217.08618	6.3
227.07230	0.3
228.07787	1.7
243.10226	6.7
245.08104	100.0
246.08386	1.3
259.09625	1.3
287.09140	1.1
298.23352	0.3
305.10226	7.5
305.24646	0.7
320.32483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01879	4.2
55.02092	0.8
55.05509	0.9
57.03442	1.0
59.22388	0.7
59.72489	0.8
67.05473	1.4
68.99774	1.1
69.03436	31.1
70.06604	1.2
70.34734	2.8
71.05000	4.9
81.03426	13.6
81.07048	1.2
83.01347	6.5
83.04990	1.4
85.02885	3.8
91.05486	87.5
93.07026	1.3
97.02897	9.4
98.73037	0.9
99.04457	10.6
105.03370	2.9
105.07019	3.4
107.05008	0.9
107.08585	1.2
109.02865	6.3
115.03941	5.2
115.05474	9.0
118.62115	0.9
127.03925	26.0
133.06473	4.5
143.04904	1.9
145.04968	100.0
161.05992	50.4
161.07074	0.6
162.06235	0.9
163.96432	1.0
179.07068	1.5
245.08279	0.8
271.23886	0.9
305.11710	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59562	0.5
56.96555	1.2
69.44715	3.4
70.98098	0.9
77.09750	0.4
81.04533	1.9
85.02902	0.6
95.06102	1.2
97.02895	0.5
98.97565	1.9
101.00883	1.0
114.72559	0.4
119.01904	0.8
125.07116	1.8
143.01880	0.7
143.08153	7.2
155.01817	0.5
170.95985	0.6
173.02977	0.5
245.04987	0.7
289.99075	0.4
305.12054	100.0
306.12442	1.1
321.25903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75294	0.5
56.96567	46.0
57.03427	0.8
57.27065	0.6
60.19509	0.5
61.02916	1.0
68.25111	0.5
68.96559	0.5
69.03427	1.2
70.98125	33.3
71.49794	0.6
71.95264	6.6
72.96054	3.2
74.97598	1.0
81.03402	0.8
81.04539	1.5
82.99849	0.8
84.08164	0.9
84.96043	5.4
85.02914	2.8
85.06553	0.7
88.99163	6.8
91.09303	0.6
92.08744	0.6
95.06099	1.6
97.02893	1.6
98.97587	82.3
101.00874	4.2
103.00613	0.7
110.97572	4.6
112.99149	4.0
113.00890	2.6
113.04520	1.0
115.00669	3.6
115.02438	2.5
116.98627	26.2
119.01919	4.5
121.01741	0.6
124.95481	16.2
124.99141	2.7
125.07109	1.5
126.97034	1.2
127.00659	1.9
127.02434	0.8
127.03951	1.1
128.98605	7.2
129.04008	0.7
129.10225	1.0
131.00201	1.8
131.01883	2.9
131.05524	4.7
133.01767	1.7
133.03467	3.5
134.99672	5.6
135.03212	0.6
140.98621	2.3
142.96541	8.0
143.00192	4.1
143.01935	2.2
143.03413	0.8
143.05609	1.1
143.08153	5.4
144.98141	1.5
145.01761	2.4
145.03491	2.1
146.99652	7.4
147.05037	1.0
149.01309	0.8
149.06642	2.2
152.94960	5.4
154.96545	4.9
155.01898	4.1
155.05591	0.9
156.02699	0.8
156.98073	3.4
157.03558	1.1
158.99666	5.1
159.01306	0.5
159.03307	0.9
159.05060	1.2
160.97655	2.3
161.01259	1.4
161.02974	2.2
161.06618	3.0
165.00755	2.0
167.02039	0.7
170.96013	16.9
171.01373	0.6
172.97618	9.2
173.01248	2.7
173.03003	3.8
173.06589	2.7
174.99161	10.1
177.00737	4.5
177.02295	0.8
184.97583	9.1
185.01407	0.7
185.03003	1.8
185.06674	2.5
186.99155	3.7
187.00626	0.9
187.04425	0.8
187.08206	0.6
188.97078	25.6
189.00679	7.1
190.98674	6.1
191.02388	3.0
191.03949	1.1
193.00240	4.0
195.01918	1.1
197.02919	0.8
197.06592	1.0
199.08253	0.7
201.00734	1.6
202.98636	16.1
203.02260	1.0
203.04079	2.5
203.07602	4.9
205.00204	5.2
205.01802	0.6
205.04051	0.6
206.98145	6.9
207.01744	3.9
209.03296	0.7
209.06665	1.2
212.97050	6.1
212.98566	0.5
213.03625	0.9
214.98615	4.9
215.07668	5.8
217.00229	4.0
217.09175	0.6
219.01872	1.8
220.99693	11.3
221.05115	2.7
223.01321	1.8
227.00354	0.6
227.07732	1.4
230.98138	22.4
232.99763	4.5
235.01320	3.0
239.00818	1.4
239.07748	1.3
244.99702	7.4
245.05042	2.2
245.08733	1.2
248.99156	5.8
254.99779	0.8
257.08783	0.8
263.00769	14.6
275.09808	1.4
281.01834	7.2
287.09888	0.7
293.01981	0.7
305.12091	100.0
306.11972	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03943	4.1
55.01863	2.6
55.05518	24.2
57.03442	4.1
57.07077	6.9
57.94667	2.0
59.05005	5.2
67.05512	23.7
69.03445	15.5
69.03753	3.0
69.07076	25.7
69.14830	14.4
69.15256	6.0
70.06597	42.9
71.04644	2.6
71.04998	19.5
71.08633	2.3
73.06569	2.8
74.06055	2.5
78.05186	2.0
79.05499	24.4
81.03426	4.2
81.07065	100.0
83.04984	7.2
83.08631	12.5
84.08143	13.3
85.02888	3.2
85.06539	2.8
88.07648	4.4
91.05488	24.1
93.07050	57.5
93.84148	2.1
95.04969	7.9
95.08616	58.1
97.06552	15.4
97.10164	7.7
98.20997	10.2
99.04459	4.6
99.08080	4.3
103.05499	3.2
105.07043	51.0
107.04975	2.6
107.07881	3.9
107.08604	70.0
109.06528	8.6
109.10171	41.0
111.08092	7.0
113.09695	2.8
117.07059	5.4
118.18820	1.9
118.19659	1.9
119.08602	39.4
120.71103	1.9
121.06507	2.7
121.10164	40.7
123.08080	6.5
123.11699	15.4
125.09636	14.8
127.07554	3.0
127.11237	17.0
128.11665	2.0
129.07019	4.6
129.10213	3.6
130.07796	2.1
131.04988	2.6
131.08603	14.1
132.10249	3.2
133.10129	25.6
135.08076	8.8
135.11707	43.8
137.06004	3.2
137.09647	6.2
137.13252	10.6
139.11212	9.9
143.08577	6.4
143.10678	5.9
144.09320	2.5
145.10162	20.8
147.08037	2.6
147.11702	43.5
149.09625	3.7
149.13286	26.8
151.03954	3.7
151.11209	5.9
153.09117	2.5
153.12766	3.7
155.10698	7.7
157.10149	10.7
159.08076	2.8
159.11703	19.8
161.06017	2.9
161.09659	3.0
161.13254	14.7
163.11165	4.7
163.14880	7.7
165.12785	4.5
171.11742	8.4
172.12422	2.8
173.13211	13.5
175.07594	2.7
175.14847	7.5
177.12749	4.7
177.16412	9.1
181.12216	2.4
183.11861	2.5
185.13281	6.8
187.14842	4.5
189.16396	6.0
193.15961	2.2
195.17406	2.5
199.14833	6.6
200.20154	4.6
201.16434	22.5
203.17976	9.7
205.15735	3.1
208.41586	2.2
211.07495	4.2
212.07857	3.1
213.08144	8.8
213.16389	7.6
215.18163	5.0
219.17494	6.0
221.19011	3.2
223.16953	2.5
227.17946	3.1
229.19592	3.0
231.09172	2.4
231.17383	3.0
234.06960	2.4
241.07716	6.6
244.22694	11.7
245.07867	2.3
259.08755	9.3
269.22702	9.1
272.10287	4.9
273.10522	9.3
274.11041	49.0
287.11990	3.7
287.16623	2.8
287.23724	19.4
290.10214	2.9
305.06015	10.4
305.08966	9.4
305.12720	21.7
305.17535	6.7
305.21295	3.7
305.24744	38.1
306.26376	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01877	0.7
56.05025	0.8
56.96567	0.7
57.03433	1.3
58.99593	0.5
60.04521	0.8
61.02926	1.5
61.59652	0.4
65.03950	2.5
68.05021	2.0
69.03432	6.2
69.07035	0.5
69.55650	0.9
69.56065	1.9
70.06588	4.2
71.01340	0.5
71.04988	0.6
72.08148	1.2
72.93796	0.6
73.02933	2.0
74.06081	1.9
81.03408	1.9
81.69544	0.4
84.04502	0.9
84.08143	2.3
85.01131	2.2
85.02905	14.0
86.09702	1.3
87.04456	1.5
91.03918	0.7
91.05489	0.7
97.02899	3.5
98.00644	2.1
98.97588	0.7
99.02694	3.7
99.04457	0.9
101.02404	0.4
102.05511	0.5
103.03948	0.9
104.05342	0.5
107.04950	2.1
109.02863	1.5
110.07173	0.9
113.02991	2.5
114.03750	0.7
116.01725	0.4
116.07079	1.4
119.04936	0.7
120.08105	0.5
126.03746	27.1
126.09114	0.7
127.03882	1.9
127.04704	2.6
129.10219	0.9
130.06546	0.7
132.08073	1.3
132.95822	1.0
136.07570	2.2
137.05946	0.8
144.04790	100.0
144.10182	1.0
145.05006	2.5
159.07793	0.6
159.09209	2.2
165.05560	0.6
174.96950	0.8
175.11879	0.4
186.05818	3.0
228.13676	0.4
289.11813	0.6
306.06683	2.3
306.10068	10.5
306.13333	0.5
306.15686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	7.9
56.96561	3.2
60.04527	100.0
61.01158	3.3
61.02906	1.6
68.05051	1.3
69.03437	2.9
69.85248	2.0
69.85604	6.3
70.02972	3.2
70.06602	7.3
72.04523	2.0
72.08165	6.5
72.56509	1.1
72.93806	2.1
74.06081	14.6
74.06438	1.5
77.06801	1.2
77.73032	1.2
81.03435	1.5
84.04511	20.5
84.08150	6.1
85.02930	3.4
86.09712	86.1
87.05619	3.7
90.94778	1.3
91.05499	2.8
97.02906	2.5
97.96844	1.5
98.20713	1.5
98.97605	6.1
99.05611	2.1
101.07185	4.8
102.05551	61.9
104.05356	4.7
109.02893	1.3
110.07280	1.4
110.09737	3.6
110.97614	1.9
111.05643	1.6
116.07126	1.5
116.98607	2.3
120.08138	3.2
127.03981	2.2
127.12332	1.7
129.06596	26.4
129.07491	1.4
129.10265	2.1
130.06543	1.4
132.08151	2.1
132.09224	2.7
132.10214	47.5
132.95880	4.0
137.06039	4.2
142.47165	1.2
144.04863	1.2
144.10219	2.2
147.07657	67.3
150.96887	1.8
155.11858	5.0
157.06146	5.0
158.09998	3.6
158.99696	1.5
159.09219	3.4
173.12878	11.6
174.96962	2.8
175.07155	63.1
182.99646	1.4
183.11372	5.2
201.12413	5.4
203.12189	7.3
219.01944	1.7
219.13397	29.4
219.15305	2.2
223.30620	1.2
229.11839	6.0
231.11702	1.5
234.99028	2.0
236.96939	1.5
237.02762	2.7
240.26039	1.4
258.06577	2.1
258.14496	2.0
270.14618	1.7
282.07623	4.2
288.15601	10.9
289.11743	1.7
306.16385	4.4
329.98053	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55544	0.3
63.45092	0.3
67.05495	0.5
69.07076	1.7
70.79707	0.3
70.80031	0.5
71.46521	0.3
79.05487	0.8
81.07055	1.0
91.05479	0.4
94.04204	2.2
95.08589	0.6
97.06586	0.4
103.75457	0.3
107.08627	0.8
109.06477	0.4
109.10145	0.8
114.09150	0.6
118.39966	0.3
120.99110	0.3
122.03664	7.3
126.09171	0.4
133.10141	0.7
135.11697	1.0
137.05986	100.0
138.06319	0.5
151.11279	0.4
153.12750	1.3
170.15433	2.5
182.15398	2.0
228.84717	0.3
247.32182	0.5
306.20624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.01863	0.8
55.05518	7.7
57.07059	0.9
63.53770	0.2
65.03931	0.5
67.05511	9.7
69.07073	7.9
71.08633	0.4
71.48302	0.4
72.04498	0.6
75.41565	0.3
79.05508	2.3
80.05024	0.3
81.06595	0.5
81.07063	8.6
82.06566	0.3
83.08621	2.5
85.05293	2.4
86.06065	1.0
91.05483	1.0
93.07040	1.5
95.04982	0.2
95.08611	4.5
96.08121	0.3
97.06526	0.4
97.10145	0.7
98.06062	15.0
99.06800	0.6
100.07616	0.3
105.07060	0.6
107.08583	0.9
109.10144	1.8
110.09702	0.4
112.07600	2.2
112.96097	0.2
119.08585	0.7
121.10163	0.6
122.03639	0.4
122.82342	0.3
123.11713	0.5
124.07632	0.3
124.11228	0.5
125.08415	0.3
126.09161	0.6
135.11700	0.5
137.05989	7.2
140.10698	0.8
147.11722	0.3
152.10707	0.3
154.12302	0.7
162.43057	0.2
164.06450	0.2
168.13876	0.7
182.15446	0.8
196.17033	0.6
208.16920	1.3
222.18556	0.4
224.20187	0.3
236.20105	0.3
250.21651	0.4
306.27924	100.0
307.28149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	2.5
57.03446	2.6
61.02929	3.8
63.43302	1.1
63.50507	1.3
68.33186	1.0
70.99858	1.9
72.61189	1.0
72.93792	1.8
73.02908	2.1
82.77691	1.1
82.99862	6.2
85.02911	3.2
90.94858	1.4
95.01357	4.6
97.01400	5.5
97.02916	1.9
98.52367	1.1
98.97627	2.8
101.00888	54.2
102.00976	1.5
103.00636	1.2
111.60614	1.2
113.00874	9.2
113.02353	1.4
115.02443	15.5
119.01929	59.0
120.19955	1.1
121.01699	1.4
126.98785	2.6
127.02420	2.1
127.03934	1.6
128.98627	1.1
129.04030	6.7
131.01912	15.3
132.95882	6.7
133.03481	12.4
137.02994	6.3
139.02449	1.6
141.01852	1.8
143.01909	15.4
144.95872	3.6
144.99843	2.6
145.03537	4.9
145.04807	1.4
147.01425	2.3
147.05098	3.8
155.01939	7.2
157.03493	4.1
158.97488	4.2
159.01453	4.1
161.02972	12.9
163.04659	1.5
168.99838	13.1
171.01485	3.6
173.02980	11.1
174.96965	6.8
175.04520	2.7
177.02495	7.6
185.03033	4.1
186.96941	2.3
187.00896	20.6
187.04500	2.4
189.00897	2.1
189.02478	1.7
191.04059	3.8
196.99303	9.4
198.97050	2.6
199.01004	1.7
200.98572	1.4
201.02545	3.0
203.04103	2.6
205.00258	2.1
205.01892	7.7
205.05704	3.0
210.96805	1.7
215.00391	30.7
216.98077	2.4
217.02089	1.6
217.05687	2.5
219.03564	10.9
221.05168	4.3
229.01970	16.1
231.69995	1.3
233.01657	2.1
247.03004	51.2
265.04062	5.7
270.04572	1.9
283.05481	1.3
289.04025	9.0
307.04822	3.0
307.10110	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61549	0.4
56.12747	0.4
57.42332	0.4
57.60803	0.4
59.11730	0.4
70.33025	1.3
70.33379	0.8
82.99862	0.9
98.97631	0.4
99.53757	0.5
101.00883	3.5
119.01921	4.3
140.98871	0.8
144.03372	0.4
158.99867	3.2
177.00978	9.6
182.99922	1.4
201.00989	3.7
217.04008	2.5
219.02028	15.8
225.00887	2.4
243.02031	15.3
261.03085	100.0
262.03247	2.4
263.03397	0.5
266.03525	0.5
284.04651	3.2
286.10135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09073	3.2
51.33140	3.2
56.96567	53.1
57.03422	7.0
60.04513	5.3
61.02918	13.8
69.03416	11.2
70.06595	10.9
70.98113	23.9
71.04971	5.6
71.20187	4.9
72.08141	5.3
73.02924	8.3
81.03402	4.6
82.99847	4.4
83.01316	3.3
84.04504	5.0
84.08146	9.0
84.96032	12.8
85.02911	20.7
85.61464	3.2
86.09721	4.6
88.99146	9.0
97.02883	12.9
98.21523	3.3
98.97591	98.0
99.04456	5.3
100.99143	10.9
101.00886	30.6
110.07132	4.9
110.97586	28.8
112.99104	7.2
113.00854	9.6
115.02416	10.0
116.98617	16.5
119.01926	39.7
124.95469	6.6
124.99162	6.9
127.00669	4.0
127.02448	6.0
127.03889	7.5
128.98610	26.6
131.00159	5.0
131.01862	9.0
132.95818	8.8
133.03468	12.7
133.05261	3.9
134.99574	4.2
140.04333	3.0
140.98561	4.7
141.80092	3.1
142.96492	3.4
143.00143	10.1
143.01918	16.3
145.01715	11.2
145.03488	8.2
146.97432	4.0
146.99658	17.1
149.01138	3.3
152.98593	8.2
155.01924	7.6
157.03467	6.7
158.97429	3.9
158.99695	15.0
161.01263	5.0
161.02933	15.7
163.02765	17.6
163.04208	3.6
165.00784	4.3
168.03569	3.4
168.99857	7.4
170.99582	8.2
173.01227	3.3
173.02933	11.2
174.96867	7.8
174.99112	4.2
175.04625	5.2
177.02477	4.1
177.04237	3.1
181.03813	4.7
185.02943	5.8
187.00914	8.6
189.00719	12.8
190.76871	3.0
196.99364	5.7
198.96960	3.9
201.00644	13.5
204.02902	4.7
205.01994	6.0
205.03838	4.9
205.07399	3.5
207.01817	4.8
214.98587	4.0
215.00313	15.5
216.98070	3.3
217.03868	3.7
219.01740	44.2
219.03561	4.4
221.05133	5.6
229.01944	7.0
234.99049	7.8
237.02888	25.5
247.02994	23.1
247.04967	3.9
261.02982	4.3
265.05826	30.3
283.06937	4.9
289.03961	5.1
307.07761	100.0
325.08044	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	307.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41484	0.9
54.96285	0.8
55.01873	4.5
55.05502	3.3
57.03440	1.3
57.07067	1.5
61.26251	1.0
65.03928	1.0
67.05502	4.8
69.03426	1.8
69.07059	3.7
70.06593	6.6
70.74823	1.0
70.75130	1.6
71.04996	1.2
71.06889	1.4
71.08629	1.4
79.05481	3.9
81.03413	1.7
81.07062	9.7
83.04979	1.5
83.08644	0.9
85.02893	2.0
88.07630	2.6
91.05482	3.7
93.07070	4.4
95.04969	2.6
95.08607	8.6
97.10187	1.9
98.21571	1.0
99.04431	1.2
102.09167	1.1
105.03387	1.4
105.07024	3.2
107.04961	12.7
107.08588	5.1
109.06542	1.0
109.10140	5.1
111.04413	1.5
111.08058	1.3
113.89116	0.8
115.05415	2.6
117.06998	1.1
118.72594	0.9
119.08564	2.6
121.02859	3.2
121.06536	1.7
121.10186	2.2
123.08114	1.5
123.11730	2.6
128.06224	2.4
129.07024	1.6
131.04921	2.7
131.08582	1.9
132.10194	1.5
133.02852	1.4
133.06483	0.8
133.10139	1.8
135.04443	1.4
135.11751	2.1
137.13249	1.3
143.04953	1.5
145.06497	6.7
145.10109	2.0
146.07231	2.6
146.11761	1.7
149.02402	1.0
149.13272	2.1
153.07008	1.5
155.08519	0.9
157.06482	0.9
157.07584	1.0
158.07257	1.3
159.08070	1.3
159.11749	1.3
161.13318	1.1
163.03938	2.0
165.07019	8.2
168.53419	0.9
171.04457	4.1
173.09694	1.2
176.06332	0.9
177.07050	1.2
178.07791	8.0
179.08548	5.6
180.09293	2.3
181.06483	3.9
182.07256	1.6
185.05966	4.1
185.26575	0.9
186.06772	11.9
189.06984	13.0
190.07751	12.9
190.09261	1.0
191.08543	20.0
192.09299	1.1
193.06503	3.3
193.10175	1.5
194.07295	2.0
195.08054	2.8
200.20056	2.6
200.74902	1.1
201.06960	1.9
201.20480	5.0
202.07811	8.4
203.08548	5.9
205.06488	8.7
205.10234	1.3
206.07281	6.5
207.08057	22.5
208.08839	12.3
215.08614	0.9
217.06508	1.9
218.07272	28.1
219.08049	47.6
220.08827	26.0
221.05978	10.2
221.09575	2.9
222.06638	1.3
223.07594	1.0
223.11203	3.0
226.49889	0.9
231.07974	1.8
233.05949	2.1
233.09674	3.1
234.06796	7.7
234.10429	1.5
235.07536	39.6
236.08324	36.9
237.08995	1.2
244.22736	3.5
245.06255	1.0
245.23067	10.9
246.06776	9.0
247.07544	26.0
248.08360	6.7
249.05527	6.2
249.09081	6.1
250.06200	2.4
250.09891	3.0
251.10678	77.8
261.05685	0.8
261.09055	5.0
262.06271	4.4
262.09839	1.1
263.07037	27.2
264.07825	72.4
265.08365	1.9
271.24161	0.9
274.06326	1.0
275.07004	5.1
276.07867	1.9
277.05334	2.0
277.08588	7.9
278.06079	1.8
278.09348	21.3
279.07074	1.7
279.10156	27.1
280.10510	1.3
289.08517	1.9
289.14389	1.9
289.17776	1.3
289.25427	1.2
291.06720	4.5
292.07294	12.4
292.10425	1.5
293.08047	12.1
297.86008	1.0
306.08740	5.2
306.26398	4.8
307.09641	100.0
307.26715	34.9
308.10059	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01240	0.4
60.54209	0.4
62.34014	0.4
65.91886	0.4
69.50628	2.7
95.95418	0.4
96.71529	0.4
122.37165	0.4
129.64046	0.4
165.77567	0.4
174.58846	0.4
204.31808	0.4
307.09998	100.0
308.10257	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1652
Annotation	Ruxolitinib
Peak:m/z	Relative Intensity
55.01862	1.6
55.05504	4.3
69.03438	3.4
69.07040	1.7
69.60995	10.2
72.08162	87.0
79.05491	1.9
81.03422	3.3
81.07043	2.6
85.02917	3.1
87.00853	1.5
93.07059	4.7
95.01331	4.2
103.05466	6.1
107.04974	3.5
114.09180	55.7
114.09991	2.7
120.08119	100.0
121.10117	2.0
127.03928	1.7
131.04918	2.8
131.08687	1.5
142.04143	1.6
142.08662	13.8
145.10173	2.3
149.02367	4.7
156.45116	1.4
163.03976	2.1
166.08659	53.3
189.06992	2.0
190.07932	2.0
191.08464	1.7
201.43282	1.4
206.07399	1.5
207.08003	2.5
218.07268	2.5
219.08089	4.6
220.08826	3.8
221.05899	1.7
235.07561	4.4
236.08446	5.3
246.06848	1.9
247.07599	6.0
251.10742	7.2
263.07172	2.4
264.07840	8.1
276.07672	1.7
277.08588	1.9
278.09280	1.9
279.10214	6.7
292.07242	3.4
307.09711	21.2
307.19052	3.1
311.70499	1.4
326.09851	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03957	4.9
54.42367	4.0
55.01864	10.2
55.05502	17.6
57.03448	20.3
57.07067	6.7
61.02906	14.6
61.86960	3.5
65.73881	4.6
67.05514	22.8
69.03425	41.0
69.07076	19.0
69.62023	25.1
70.06610	19.9
71.01360	26.5
71.04980	8.4
72.08153	9.9
73.02921	31.7
74.06068	5.7
76.02219	4.0
79.05506	25.1
81.03403	12.4
81.07059	40.1
83.04984	15.9
83.08620	7.8
84.04520	5.9
84.08121	14.7
85.02908	47.0
85.06552	5.9
86.09685	12.3
87.04428	7.4
91.05483	33.9
93.07047	44.0
95.04984	23.4
95.08615	51.1
97.02871	16.0
97.06512	6.6
98.97562	5.5
98.98465	6.8
99.04453	4.8
101.06013	5.4
101.98185	3.5
103.03931	11.1
103.05447	5.6
105.07040	49.8
107.04945	7.6
107.08586	46.1
109.02851	7.2
109.06511	28.1
109.10154	20.8
110.60596	3.7
111.04436	10.5
111.08054	6.2
115.03919	15.9
115.05444	5.0
117.06998	16.3
119.08578	75.3
121.06497	22.2
121.10147	65.7
123.04401	5.8
123.08065	32.0
123.11733	7.9
125.05997	7.3
125.09566	4.1
127.03910	7.8
128.06194	4.5
129.05518	5.8
129.06984	9.4
129.10275	8.1
130.07791	6.6
131.08582	32.5
133.02881	4.7
133.04948	5.4
133.06494	10.6
133.10153	54.5
135.08035	17.7
135.11679	21.6
137.05942	13.6
137.09625	10.4
139.11188	4.2
141.07043	4.7
142.07776	11.2
143.08580	24.5
144.09302	5.1
145.06458	5.4
145.10135	46.4
147.04445	6.6
147.08061	19.8
147.11668	24.8
149.05969	14.7
149.09605	17.6
149.13258	6.7
151.07539	11.2
151.11215	6.6
153.06924	4.6
155.07042	11.0
155.08481	9.2
156.09309	6.3
157.10115	23.5
158.10847	9.2
159.08058	20.0
159.11690	29.4
160.08727	4.6
161.09674	22.6
161.13240	11.4
162.02094	4.1
163.03964	19.9
163.11154	8.0
165.09111	4.1
166.12282	3.9
167.07027	17.7
167.08359	4.5
169.08720	5.3
169.10095	18.6
170.10950	6.0
171.08057	8.4
171.11691	18.0
172.08824	5.2
172.86050	3.6
173.09630	17.0
173.13269	72.0
174.10265	3.8
175.07587	5.2
175.11179	15.1
175.14828	53.7
177.05544	8.1
177.09169	6.2
177.12701	8.0
181.10085	7.6
183.11707	11.2
185.09560	7.2
185.13239	22.8
187.11189	20.7
187.14809	43.4
189.09006	4.9
189.12744	9.3
189.16376	7.6
191.10626	4.0
191.14328	17.4
192.15053	13.3
195.10074	8.9
195.11713	4.8
196.12549	4.9
197.09566	8.1
197.13202	9.5
199.11205	4.4
199.14815	13.5
201.12706	8.1
203.10649	6.8
203.14410	19.4
205.12199	5.0
209.11633	19.3
211.11223	7.0
211.14751	10.7
213.12711	6.3
214.08517	5.7
215.10738	36.5
215.14299	14.5
217.15897	13.7
225.16310	9.3
227.14319	14.1
229.15862	12.5
233.11768	11.2
241.15840	7.7
243.17610	8.5
245.15518	4.3
247.13321	4.0
247.16937	6.0
249.05505	4.5
251.12862	4.5
253.15904	10.3
259.16925	8.1
265.11884	4.5
271.16934	37.7
289.17999	64.9
307.05942	15.4
307.09528	16.6
307.12863	17.3
307.15881	5.6
307.19046	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03947	1.4
55.01867	1.3
55.05279	0.6
55.05513	15.8
57.07075	5.1
66.48224	0.7
67.05511	25.5
69.03423	2.0
69.07073	19.8
69.07365	0.4
69.80048	4.2
71.04986	2.0
71.08632	1.4
79.05500	10.4
81.03438	1.5
81.07061	100.0
83.04996	1.3
83.08624	9.8
85.02912	0.9
85.06538	2.2
88.07650	0.8
91.05467	4.5
93.07051	13.8
93.46957	0.8
95.04967	2.6
95.08611	87.1
95.73616	0.7
97.06538	2.7
97.10176	9.1
99.08107	1.1
103.05470	1.2
105.07018	5.8
107.04972	3.5
107.08584	12.8
109.06551	1.8
109.10162	42.9
111.08092	2.7
111.11714	4.2
111.76039	0.9
117.07036	1.4
119.08595	5.0
121.06551	1.1
121.10159	8.9
122.96065	0.7
123.08086	2.0
123.11716	22.1
125.09621	1.4
125.13306	0.9
127.03953	1.0
127.07578	0.8
131.04921	2.1
131.08571	1.5
133.10181	4.0
135.08058	1.0
135.11713	5.7
137.05966	1.1
137.09662	2.0
137.13252	8.7
139.11189	2.6
142.11414	0.7
145.10175	1.5
147.11664	2.0
149.09624	1.3
149.13304	5.6
151.11201	2.5
151.14835	13.1
153.12695	0.7
159.11719	2.3
161.13310	2.6
163.11255	1.4
163.14844	2.9
165.09207	0.9
165.12816	1.0
165.16428	1.8
173.13280	1.2
175.14882	2.1
177.12817	1.3
177.16388	1.3
179.14415	2.1
181.12276	0.9
187.14925	1.1
190.07730	1.0
191.14282	1.5
191.18007	1.5
193.15950	0.9
195.13892	1.4
201.16560	1.0
203.18201	1.0
205.16078	0.9
209.15358	1.3
215.17984	1.3
218.07352	1.6
219.08136	1.5
219.17581	1.6
221.05927	1.4
223.17010	1.4
235.07483	0.8
237.18573	2.9
247.07588	2.6
249.05505	1.4
251.10759	1.5
251.20245	1.3
264.07819	1.8
271.17413	0.8
271.24347	2.4
279.10092	1.2
279.27008	0.9
289.08426	0.9
289.25259	5.0
292.07422	2.9
307.09680	10.3
307.13086	1.1
307.19031	1.4
307.26437	24.4
309.73929	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2633
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03944	2.3
55.01868	2.1
55.05515	14.6
57.03441	1.9
57.06864	0.5
57.07087	5.3
59.04990	1.3
65.03951	1.5
67.05508	28.0
69.03432	2.7
69.07073	21.5
69.87169	2.3
69.87563	1.2
71.05003	2.7
71.08637	1.7
74.84158	0.6
79.05067	1.1
79.05495	12.2
81.03422	1.6
81.07060	100.0
83.04997	1.8
83.08623	9.4
84.08147	0.9
85.02914	1.5
85.06547	3.2
91.05483	5.4
93.07050	17.0
95.04977	4.6
95.08611	84.9
97.06550	3.9
97.10175	9.0
97.61233	0.6
99.04458	2.1
99.08104	1.5
103.03974	0.8
103.05476	1.8
105.07041	7.3
107.04972	2.9
107.08600	14.3
109.02885	0.9
109.06544	1.9
109.10164	48.1
111.04457	0.8
111.08121	2.9
111.11726	4.2
113.06001	0.9
115.05470	1.1
115.07573	0.6
117.07021	1.4
119.08598	6.2
121.06527	2.5
121.10158	11.7
121.40173	0.5
123.08065	1.8
123.11715	20.6
125.09637	3.3
127.03953	1.6
128.06201	0.8
129.07022	0.6
129.09189	0.5
131.04918	1.6
131.08594	2.5
133.10149	4.8
135.08086	2.0
135.11710	7.0
135.34796	0.6
137.05962	1.1
137.09637	2.3
137.13266	9.9
139.11223	2.9
141.09096	0.7
143.08530	0.8
144.92337	0.6
145.02899	0.9
145.06491	1.2
145.10129	2.7
147.04372	0.7
147.08034	0.8
147.11674	3.3
149.09621	1.7
149.13269	7.2
151.11234	3.2
151.14838	11.7
153.09026	0.6
153.12781	0.8
157.10135	1.1
159.11705	2.8
161.05978	0.7
161.09589	0.7
161.13252	3.4
163.04074	1.3
163.11244	1.6
163.14835	4.3
165.07022	1.0
165.12749	1.3
165.16397	1.5
167.14429	1.2
169.10194	0.7
169.12315	0.7
171.11662	0.7
173.13293	1.5
175.03841	0.6
175.07570	0.7
175.14816	2.1
177.09206	0.6
177.12825	1.1
177.16333	1.3
179.08611	0.8
179.14365	1.7
179.18008	0.6
181.12256	1.2
181.15846	0.8
183.11673	0.9
187.14827	1.0
189.07050	1.4
189.16370	1.3
190.07826	2.0
191.08585	2.5
191.17975	1.7
193.10202	0.8
193.12193	0.6
193.15916	1.1
194.07216	0.8
197.13235	0.7
201.16408	1.3
203.08530	0.8
205.06837	0.9
205.19505	0.7
207.08061	1.5
208.08826	0.8
209.15382	0.7
211.14966	0.8
215.18013	1.4
217.08521	0.7
218.07370	3.4
219.08109	5.9
219.17548	1.4
220.08983	1.5
221.06067	1.5
223.17041	1.2
233.06192	0.8
233.18929	0.6
233.22607	0.9
235.07501	2.3
236.08383	2.6
237.18559	2.8
246.06854	2.1
247.07515	6.0
247.24182	0.8
248.08347	1.1
249.05516	2.4
251.10696	2.8
251.20059	1.5
261.09073	1.3
261.25571	0.9
263.07141	2.3
264.07898	5.6
265.08481	0.7
271.13477	0.6
271.16879	0.9
271.24197	3.3
275.07025	1.8
277.05203	1.2
277.08502	1.2
278.09235	1.1
278.66885	0.7
279.10168	3.3
279.26886	0.8
289.08640	1.1
289.18057	1.1
289.25256	5.3
290.37497	0.6
292.07367	4.0
292.10275	0.6
293.07993	1.0
307.09656	25.0
307.19327	1.9
307.26404	19.0
308.10287	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2221
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.02383	0.2
55.05506	0.5
57.07071	0.6
58.02950	0.3
66.04713	0.3
67.05492	0.5
69.07063	0.9
70.10040	0.5
70.10424	0.6
71.08624	0.9
79.05489	0.7
81.07059	2.1
91.05457	0.8
93.07059	0.4
94.04187	2.7
95.04965	0.3
95.08601	0.8
98.21471	0.5
99.08060	0.3
105.07072	0.2
107.04912	0.4
107.08594	0.3
107.62715	0.2
109.06532	0.6
109.10159	0.3
119.08579	0.3
122.03658	7.5
135.11740	0.3
137.05986	100.0
137.13255	0.5
138.06343	0.9
151.66298	0.2
155.14238	0.3
165.12730	0.6
172.16946	1.5
184.16972	2.7
216.82013	0.3
218.34909	0.3
291.23218	2.6
308.10660	0.3
308.22385	0.6
308.25897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.5
58.68151	11.5
67.05480	28.3
69.07076	20.9
69.26644	83.3
70.06580	44.9
71.04963	12.4
79.05489	23.8
81.07039	42.8
83.08627	11.4
85.02898	16.4
91.05469	23.3
93.07034	14.0
95.08586	36.7
105.07027	17.4
107.04968	59.6
107.08579	22.1
109.10146	28.2
117.07046	13.0
119.08551	14.5
121.10148	13.5
123.08068	13.3
123.11681	10.3
129.86157	9.6
147.04404	100.0
162.76138	10.2
175.82689	11.0
202.07861	11.0
206.07309	13.5
220.63301	10.6
234.06676	16.9
236.47746	12.1
249.09088	27.7
277.08591	37.3
281.11700	25.5
294.09058	13.4
309.05179	37.2
309.11124	90.5
309.22278	17.5
309.25320	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05510	0.6
57.03421	1.3
61.02911	0.5
65.03935	0.8
67.05483	0.5
67.78249	0.4
69.03423	4.7
69.07063	0.4
70.06596	6.0
71.05002	2.6
71.06908	0.4
71.50565	0.7
72.08147	1.7
73.02904	1.8
73.50182	0.3
75.04488	0.9
81.03427	7.0
83.05002	0.5
83.06116	0.4
84.04508	1.1
84.08141	3.5
85.02907	10.5
86.09713	2.0
91.05487	14.0
95.04960	0.7
96.04492	0.4
97.02888	2.9
98.97594	0.6
99.04465	1.9
103.74151	0.4
105.07022	0.8
106.31483	0.4
109.02883	3.0
109.06550	0.5
110.07149	0.6
115.05431	0.6
116.07101	0.6
119.04945	27.0
119.08589	0.5
120.08083	0.9
124.07596	0.5
127.03920	2.6
129.05537	1.9
129.10223	1.8
131.08527	0.4
133.06511	0.5
147.04417	100.0
148.04791	1.1
159.04381	0.4
163.03990	0.5
165.02377	0.5
165.05513	3.9
175.07494	0.4
177.07101	0.4
182.43695	0.4
191.39572	0.4
199.36890	0.4
208.02899	2.6
217.06575	0.4
234.06920	0.7
243.56598	0.4
249.09077	0.6
251.06984	0.4
251.09335	0.4
277.08652	1.6
291.08661	5.2
309.11600	2.4
309.14462	0.6
309.18188	0.9
310.16599	0.8
329.10117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01869	1.2
55.05503	4.1
57.03440	12.6
59.04993	2.0
61.02916	3.1
67.05498	2.0
69.03423	9.3
70.06568	1.4
71.01336	1.4
71.04604	1.5
71.04997	22.4
71.51486	1.6
73.02908	4.5
75.04489	11.0
79.05500	1.6
81.03432	7.3
83.04994	9.3
85.02911	100.0
87.04459	2.3
91.05483	4.9
94.56577	1.0
95.04978	1.8
97.02899	8.3
99.04450	3.4
101.06011	1.2
104.85571	1.1
105.07023	1.1
109.02879	4.5
111.04434	4.3
119.04963	9.6
123.04379	1.3
126.80405	1.1
127.03934	4.5
129.05489	20.8
129.06963	1.4
137.06070	1.1
145.04951	1.9
147.04427	33.3
147.06508	12.5
147.07648	1.6
147.08121	1.0
165.05449	1.4
171.06531	2.9
177.05418	1.2
205.06577	1.6
206.07207	1.7
207.08028	1.3
221.09605	1.6
223.07672	1.5
229.95671	1.3
234.06776	4.3
235.07489	1.2
249.09044	5.3
251.07074	1.3
262.06287	1.4
263.06790	1.9
265.08539	1.6
266.09387	1.2
277.08508	8.0
279.06543	1.2
281.11807	3.7
291.08722	2.1
294.08887	2.6
307.91406	1.1
309.07596	4.4
309.11203	12.3
309.17371	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42717	1.2
55.05503	5.3
57.03442	13.1
59.04995	1.7
61.02909	2.3
63.37126	1.0
69.03426	3.5
69.86671	6.5
70.06584	4.4
71.01340	2.3
71.04996	26.9
73.02903	3.9
75.04487	13.7
81.03410	3.6
83.04994	6.0
85.02909	100.0
87.04458	3.3
91.05462	2.5
97.02886	4.3
97.90179	1.4
98.21481	1.5
98.97588	2.1
99.04469	1.5
101.05994	1.6
110.97572	1.7
111.04433	2.9
116.90156	1.2
119.04971	2.4
127.03924	3.4
129.05496	22.3
138.85037	1.2
140.96257	1.2
145.04988	2.1
145.50388	1.1
147.04425	7.2
147.06499	11.2
152.54527	1.1
216.32654	1.2
237.02869	1.1
249.09096	1.2
281.07947	1.3
309.07346	1.6
309.10956	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	309.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
54.89612	1.4
55.05506	4.0
57.03438	8.8
58.34974	1.3
59.05000	3.7
61.02924	4.9
65.03938	2.1
67.05487	1.4
69.03438	9.3
69.07078	3.3
70.06592	7.0
70.72388	2.9
70.72755	2.7
71.01341	3.1
71.04998	23.6
73.02905	6.4
75.04485	8.4
81.03420	12.2
81.07054	2.0
83.04994	7.2
84.08143	2.4
85.02910	100.0
87.04473	2.8
91.05478	11.6
92.06930	2.1
93.06982	2.4
95.04961	2.4
95.47503	1.5
97.02883	6.0
99.04482	3.4
100.11241	3.4
101.06018	2.4
103.03951	1.7
105.07047	2.5
107.04962	2.7
109.02909	9.2
111.04453	6.3
118.52330	1.5
119.04942	21.9
123.04404	1.7
127.03936	5.6
129.05507	17.2
129.07014	3.3
133.06458	1.6
137.05890	1.5
145.05031	1.5
147.04422	71.6
147.06335	10.5
165.05519	2.8
170.79124	1.6
175.26688	1.4
177.05615	1.5
178.07793	2.7
181.02655	1.4
189.07060	1.6
191.08633	1.9
194.28908	1.4
202.07878	1.6
203.08621	3.5
205.06509	1.8
206.07268	4.3
207.08012	2.0
217.06531	2.6
219.08084	2.1
220.08818	2.3
221.09659	4.7
223.07701	1.7
229.03145	1.3
231.08163	3.4
234.06813	8.4
235.07585	2.2
237.09103	1.5
247.07794	1.6
248.08319	2.3
249.09135	8.2
251.06961	3.5
262.06314	2.7
266.09225	2.5
277.08594	12.9
281.11795	8.3
291.08621	6.2
294.08752	4.1
309.07703	3.3
309.11166	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.03594	1.1
52.50546	1.5
53.03950	2.3
55.01868	5.4
55.05517	27.3
57.03428	2.4
57.07074	2.4
61.88763	1.2
67.05508	21.3
69.03432	3.2
69.06784	1.3
69.07076	13.2
70.06588	2.8
71.04991	2.2
71.50986	1.4
71.51369	1.9
75.95668	1.2
79.05501	18.6
79.20512	1.4
81.03425	2.7
81.07063	26.4
83.04980	4.7
83.08636	15.4
91.05481	11.6
93.07059	14.0
95.04977	5.8
95.08596	13.8
97.06528	3.0
97.10181	24.1
103.05491	1.3
105.07043	11.7
107.04926	4.4
107.08598	11.5
109.02892	2.0
109.06516	4.7
109.10144	5.9
111.04458	4.7
111.08087	3.1
117.06984	5.4
119.04922	2.2
119.08567	9.1
121.06515	4.6
121.10143	6.0
123.08091	7.4
125.09637	16.2
129.07030	2.3
131.08577	5.8
133.06477	3.1
133.10130	5.9
135.08073	4.4
135.11649	4.0
137.05995	12.4
137.09625	2.7
142.07764	1.4
143.08560	2.8
145.06535	1.3
145.10129	4.7
147.04442	2.9
147.08009	3.9
147.11711	4.5
149.09648	2.3
151.11214	1.3
153.09116	1.9
156.97466	2.7
157.10124	2.7
159.11653	3.6
161.09698	1.7
163.11119	3.6
165.09109	3.5
169.10223	1.6
171.11671	2.2
175.11218	2.3
181.12225	2.2
189.11243	10.9
195.11771	1.4
216.18394	1.5
223.13232	3.3
245.18903	2.5
249.14865	2.4
249.18451	1.9
251.07114	2.3
255.17502	1.5
273.18515	17.3
277.08542	2.5
277.18039	4.5
287.51321	1.5
291.19559	100.0
292.19791	3.0
293.07785	1.4
294.08777	3.0
301.01587	2.7
309.10968	10.4
309.20709	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03937	7.3
54.03883	2.2
55.01871	20.8
55.05514	30.1
57.03426	7.1
60.53302	2.2
65.03940	5.1
67.05507	69.9
69.03426	7.3
69.07076	31.9
70.39200	8.5
71.04990	11.2
79.05489	47.9
81.03414	5.5
81.07059	95.7
83.01342	3.6
83.04994	17.2
83.08627	11.1
84.50956	2.8
85.06544	6.4
86.75890	2.6
91.05488	51.5
93.07048	41.4
95.04990	12.7
95.08611	38.5
97.02862	3.9
97.06534	6.3
97.10178	5.6
99.04472	3.9
105.07034	56.6
107.04958	12.4
107.08597	51.1
109.02884	3.9
109.06538	11.3
109.10163	80.9
111.04427	7.2
111.08074	8.7
117.07009	7.2
119.08587	20.4
121.06487	7.3
121.10104	13.4
123.04445	3.9
123.08095	7.2
123.11706	13.7
125.05947	3.3
125.09624	4.1
127.07552	6.4
129.06967	6.4
131.08601	13.7
133.06462	7.2
133.10130	100.0
135.08040	3.6
135.11679	9.7
137.09610	5.6
139.07574	6.5
143.08589	10.8
145.10107	11.3
147.04457	4.0
147.08076	11.8
147.11726	7.5
149.09610	9.1
151.11182	60.4
157.10127	5.6
159.08115	3.0
159.11676	4.6
161.09630	14.6
161.13245	3.1
169.12241	13.9
171.11627	4.2
175.11189	5.1
177.09209	3.4
179.10712	4.3
181.08649	3.8
185.13313	5.1
189.12775	3.2
193.12222	4.2
199.11163	3.4
203.14279	3.4
227.18021	4.1
233.15126	2.9
237.16373	2.7
245.19037	12.3
263.20126	13.6
273.18488	39.0
279.98669	2.8
291.19562	65.0
291.22852	3.2
309.11395	3.2
309.20599	25.4
318.75266	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2216
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03938	3.7
54.42821	1.9
55.01876	2.3
55.05507	12.6
57.03432	5.1
57.07067	4.4
67.05508	26.4
69.07079	17.6
69.10860	2.3
71.51646	2.8
75.36772	2.2
79.05492	26.2
81.03421	4.3
81.07062	37.5
83.04972	3.4
83.08619	7.0
91.05491	34.7
93.07047	54.9
95.04978	45.7
95.08616	38.0
97.06539	14.4
103.05459	4.4
105.07039	77.2
107.04955	7.3
107.08603	30.6
109.06515	10.9
109.10191	15.7
115.05451	5.3
117.07034	13.6
119.08591	56.9
121.06486	6.6
121.10151	100.0
123.08057	10.0
123.11700	5.6
128.06213	8.2
129.07021	12.2
130.07774	4.8
131.07738	2.8
131.08589	34.8
133.06578	3.4
133.07617	3.4
133.10132	36.1
135.08052	3.9
135.11740	11.6
136.97110	1.9
137.09586	2.7
141.07008	5.5
141.17853	2.0
142.07809	12.3
143.08546	23.7
144.09326	6.3
145.06526	2.2
145.10130	43.9
147.04410	3.5
147.08044	3.7
147.11705	11.4
149.09671	3.5
149.13202	2.5
153.06950	2.9
154.07820	2.4
155.08554	9.8
156.09363	12.2
157.10147	34.0
159.11720	31.1
161.09601	7.2
161.13246	4.3
165.07048	2.8
167.08557	3.2
168.09465	2.9
169.10120	16.1
170.10909	3.6
171.11716	21.2
172.12485	2.6
173.13268	15.8
175.14781	5.1
179.08563	5.7
181.10178	4.6
183.11711	14.7
184.12422	2.8
185.09695	2.0
185.13312	12.8
187.11206	11.5
187.14809	17.2
189.12679	2.4
192.09325	3.6
193.10110	6.3
194.10939	3.3
195.10156	2.3
195.11746	8.8
196.12512	3.4
197.13261	13.6
199.14899	9.8
201.12784	4.9
201.16354	4.4
206.10849	3.4
207.11641	3.9
209.13174	7.8
211.14850	8.6
213.16351	4.0
215.14304	2.2
217.15849	3.2
221.13182	4.8
223.14844	3.9
225.16380	5.8
235.14769	2.7
237.16348	3.9
239.14447	3.2
239.18022	5.6
241.19562	2.7
253.15880	6.0
253.19630	3.8
265.19620	3.7
267.17389	2.3
267.20792	2.0
281.22711	5.9
291.21033	8.0
309.11090	2.9
309.14981	2.5
309.22113	77.9
309.25751	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	310.165
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	11.8
68.54646	0.8
69.56065	0.9
70.06576	3.0
71.01347	2.8
71.04971	0.9
71.51168	1.2
72.08147	1.9
73.02925	4.2
77.71493	0.7
79.05537	0.8
82.64779	0.7
84.04495	0.8
84.08158	6.3
85.02895	1.6
86.09703	3.2
87.04473	35.9
89.02377	3.1
91.05488	33.2
97.93263	0.7
103.05457	2.0
105.03417	1.3
105.07022	0.9
106.63755	0.8
109.02879	0.8
115.03947	15.1
115.05457	5.8
117.07025	47.0
119.04943	1.3
120.08062	1.0
129.10223	1.6
131.04956	1.2
133.06471	4.2
135.08064	1.9
136.06161	3.7
136.07590	0.9
137.17017	0.8
145.02879	0.8
145.06503	18.3
147.04414	1.7
148.04785	1.5
155.06059	3.1
161.05933	3.9
187.07573	12.9
188.08302	3.0
189.05545	1.0
189.09119	31.4
198.50102	0.8
205.08606	13.8
207.02934	1.9
215.07045	2.2
233.08102	100.0
234.08348	1.5
251.09209	19.8
264.15991	8.6
310.16507	99.1
311.16727	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1652
Annotation	Fulvine
Peak:m/z	Relative Intensity
55.05519	0.5
58.06632	0.6
60.07885	0.5
60.08170	8.0
68.99801	0.5
69.59318	2.7
70.06604	2.5
72.08146	1.0
73.02922	100.0
73.90569	0.4
83.04964	0.6
84.08163	3.1
85.02909	1.0
86.03204	0.6
86.09711	3.5
87.04496	1.8
89.02380	2.2
90.87383	0.5
91.05482	17.3
104.10750	6.7
107.05030	0.4
115.05443	0.8
117.07033	3.7
119.04987	1.6
120.08099	0.9
124.07655	0.8
129.10208	1.0
130.08676	0.5
131.03360	0.6
136.06175	1.0
137.05989	1.2
143.04947	1.2
145.06487	5.4
147.04422	6.7
148.04811	2.8
161.06017	0.8
163.07559	5.2
171.04434	3.0
179.07065	0.5
185.26836	0.5
187.07526	0.8
189.05498	2.0
189.09135	1.3
191.07019	3.7
197.09262	0.6
205.08650	1.3
217.55118	0.4
219.08234	0.6
233.08080	4.6
250.14497	0.5
251.09122	16.9
279.10059	0.5
310.16495	66.5
311.13074	0.7
311.16953	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.1
55.05508	1.4
56.88929	1.4
56.96560	1.5
57.03427	5.2
61.02927	3.9
69.03432	23.3
70.06577	4.0
70.73149	3.9
71.01349	1.5
71.04990	2.0
73.02910	4.9
73.37354	1.3
79.05506	2.3
81.03419	7.5
83.05003	1.7
83.86289	1.4
84.08127	3.4
85.02900	13.9
86.09681	2.3
91.03885	1.3
91.05470	3.0
94.04165	2.2
95.04957	3.1
97.02896	22.3
98.97578	7.2
99.04452	2.2
103.03947	2.0
103.05461	5.4
107.04958	4.3
109.02891	2.5
110.97601	2.2
111.04465	3.4
115.03970	3.2
115.05447	2.4
117.06987	2.8
119.04966	7.9
121.06528	1.6
122.03658	2.7
123.04441	2.1
127.03951	9.0
129.05511	2.3
131.04944	9.6
133.02905	3.1
135.04399	3.2
136.07698	1.3
137.05977	59.7
141.07011	4.2
143.04987	2.6
144.05705	1.5
145.04897	2.5
145.06497	4.6
147.04404	10.9
148.05182	1.4
149.02113	25.5
149.05975	15.4
151.03925	4.6
151.07500	4.0
159.04413	3.9
160.05167	3.6
161.05933	3.7
161.07149	7.5
163.07571	8.0
164.04811	1.7
165.05441	2.2
167.07031	4.1
169.06503	6.0
171.04477	1.5
175.07559	7.8
176.04654	3.1
177.05466	24.7
177.09100	1.7
179.07021	9.3
183.04410	1.5
184.03896	1.7
185.04291	7.5
187.07552	5.7
188.04758	1.7
189.05504	2.2
190.06403	1.7
191.07018	20.0
193.04417	5.0
197.06009	6.4
200.04810	1.8
201.05511	2.0
202.04974	2.9
203.07051	5.9
205.08710	2.8
207.06557	2.8
215.07048	8.5
217.08556	2.7
221.08110	4.3
229.08530	9.6
233.08096	5.2
237.02740	1.8
257.08295	6.0
275.09171	4.2
293.10150	8.6
311.07401	100.0
311.11273	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.5
60.74565	1.0
63.77936	0.9
69.03425	1.3
69.07057	1.5
69.34521	3.4
69.34937	4.4
75.07484	1.0
79.05479	3.6
81.03416	2.4
81.07043	4.0
84.08131	1.4
91.05492	6.0
93.07035	2.2
94.04171	4.0
95.04963	1.3
99.04438	1.5
103.05439	2.6
105.07041	8.4
107.04961	4.9
107.08575	2.2
109.02872	1.2
109.06516	5.6
115.05454	3.4
119.08563	1.3
121.02895	1.3
121.06501	3.7
121.10142	2.2
122.03654	9.8
123.04491	1.3
128.06206	3.0
129.07011	5.2
131.04916	2.6
131.08578	1.9
132.05768	1.0
133.02815	1.3
133.06474	5.6
133.10071	1.4
135.11696	1.1
137.05983	100.0
144.05669	4.1
145.06488	2.1
145.10095	1.5
147.04428	2.3
149.05994	5.8
149.09598	1.6
151.07550	1.5
155.04929	7.4
157.06473	2.4
159.08063	8.6
161.06007	14.4
165.06956	4.0
172.05168	2.3
174.35922	0.9
175.07555	3.5
179.08629	2.0
180.09341	2.2
181.06509	1.4
187.07547	26.4
187.14810	1.0
189.06964	6.9
190.07777	24.8
191.08569	47.6
195.08168	1.7
201.06995	2.2
202.07698	2.5
203.08595	1.7
205.06509	3.9
207.08034	7.9
208.08817	7.3
211.07497	1.0
217.06343	1.2
218.07275	13.3
219.08067	61.7
220.08849	8.3
221.05908	4.1
223.07504	2.4
223.11122	1.6
225.09074	2.5
227.07030	1.2
229.07616	1.5
231.08073	1.6
233.09607	2.7
235.07495	8.6
236.08307	15.8
237.09001	3.6
238.06313	1.6
238.65184	1.1
247.07570	28.2
248.08270	5.5
251.10690	85.8
252.11024	2.1
253.08620	7.7
261.09140	4.7
263.07050	2.7
264.07837	9.3
265.08536	4.5
267.10272	1.6
268.07135	1.5
268.10934	2.2
279.10178	71.7
280.07999	1.3
280.10815	5.6
281.08066	11.0
283.06287	1.4
283.09598	2.0
283.13074	2.5
296.10416	13.4
311.05396	3.4
311.09238	5.7
311.12735	80.1
312.13339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
52.50952	0.9
60.96149	1.0
66.38486	1.1
70.95866	1.6
70.96185	1.1
71.27175	1.0
76.44749	1.0
78.47202	0.9
79.05487	2.9
81.07030	2.3
91.05488	5.7
94.04175	5.0
103.05443	1.9
105.07031	7.3
107.04931	3.3
109.06535	5.9
115.05461	2.6
116.06248	1.7
121.06516	1.2
122.03651	10.8
127.05357	1.1
128.06221	3.1
129.07002	4.9
131.05002	1.3
133.06497	4.5
137.05984	100.0
141.06900	1.0
143.06059	1.1
144.05699	3.2
145.06506	1.1
146.03688	1.2
147.08090	1.2
149.06023	5.8
155.04871	7.4
155.05989	1.4
156.05739	2.4
159.08061	10.8
161.06007	13.4
165.07028	4.7
171.04466	1.2
172.05190	3.4
174.06688	1.1
175.07574	3.1
179.08597	2.4
187.07545	27.6
189.06992	6.9
189.08626	1.1
190.07794	23.2
191.08563	51.7
192.09023	1.1
193.06482	1.2
201.06989	2.8
202.07787	2.8
203.08650	1.3
205.06543	3.2
207.08029	5.1
208.08791	6.6
217.06465	1.1
218.07285	15.4
219.08060	67.9
220.08737	7.6
221.05952	2.9
221.09697	2.0
225.09186	1.8
229.07552	2.2
233.09697	1.6
235.07567	8.8
236.08334	16.9
237.09108	3.0
246.06815	2.0
247.07556	27.6
248.08238	4.0
249.05515	2.1
250.09654	1.3
251.10681	91.9
252.11142	1.7
253.08580	8.6
261.09174	5.1
263.06940	2.5
264.07837	9.2
265.08469	2.2
267.10193	1.3
268.10941	2.2
277.08514	1.3
279.10178	77.4
280.10727	5.6
281.08121	11.5
283.13474	1.6
296.10397	14.9
309.11502	1.5
311.12781	74.6
312.13141	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1278
Annotation	Porphine
Peak:m/z	Relative Intensity
54.68989	0.7
55.01872	2.3
62.47232	0.8
67.04403	0.9
67.05457	1.0
69.40115	0.9
70.39165	3.4
79.05486	3.8
81.07045	2.4
91.05489	6.1
93.07082	1.0
94.04205	5.5
95.04990	1.0
95.57935	0.9
103.05477	2.1
105.07030	9.2
107.04943	2.7
109.06557	4.8
115.05462	4.0
116.06210	2.0
117.07030	1.4
121.02831	0.9
121.06501	2.3
122.03661	10.6
128.06219	2.3
129.07034	6.2
131.04958	2.0
131.08537	1.9
133.02805	1.1
133.06471	6.3
135.04401	0.9
137.05986	100.0
144.05722	4.0
145.06502	0.9
149.06006	6.3
151.07585	1.2
155.04939	7.7
155.06090	1.7
156.05658	2.0
159.08087	9.6
161.06000	13.9
163.07507	1.1
165.07031	3.0
167.07101	1.1
172.05214	2.6
175.07574	4.1
179.08641	1.9
180.09354	2.0
187.07552	27.1
189.07013	7.5
189.08955	1.2
190.07780	26.3
191.08569	53.5
193.06557	1.8
194.07178	1.1
195.08005	1.0
195.60316	0.9
201.06926	1.7
202.07730	2.9
205.06497	2.7
207.07977	6.8
208.08833	8.8
218.07274	16.2
219.08064	69.8
220.08833	7.4
221.05983	2.5
223.11060	1.6
225.09123	2.1
229.07620	2.3
231.07936	1.2
233.09534	3.3
235.07532	9.7
236.08304	15.3
237.09012	3.0
238.06105	1.1
246.06738	2.4
247.07545	26.6
247.09933	1.9
248.08179	4.3
249.05438	1.5
249.09047	1.0
250.09712	1.4
251.10692	86.5
252.11058	1.7
253.08646	5.6
261.09177	4.6
263.06970	1.5
264.07880	8.4
265.08594	3.4
267.10214	1.3
268.07593	1.0
268.10565	1.3
279.10178	72.4
280.10837	6.7
280.34830	1.1
281.08081	9.8
281.10574	1.1
283.09967	1.8
283.13297	2.4
293.11829	1.1
295.09717	1.0
296.10446	11.1
310.58545	1.0
311.05463	3.0
311.12775	67.1
312.13074	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
51.82560	0.9
53.03933	1.6
55.01868	1.7
55.22224	0.7
69.03442	0.9
71.49630	0.9
79.05495	4.1
81.07059	3.2
81.67603	0.8
86.09734	1.1
89.03900	1.1
91.05477	6.1
94.04205	5.1
95.04938	1.2
98.20701	1.6
103.05453	1.6
105.07041	10.4
107.04962	3.6
109.06539	5.4
115.05476	3.2
116.06262	1.1
117.03461	1.0
117.07029	1.2
121.06483	3.1
122.03671	11.3
123.04453	0.8
127.05402	1.1
128.06229	2.6
129.07002	5.0
131.04897	1.4
131.08525	0.9
133.02864	7.1
133.06508	7.0
135.04359	1.0
137.05991	100.0
144.05717	4.2
145.06511	1.4
149.05983	7.6
151.07527	1.0
155.04941	8.8
155.06049	1.4
156.05663	1.4
159.08089	9.9
161.05995	16.7
163.03839	1.4
165.05782	1.1
165.06969	4.3
167.07071	1.6
171.04411	1.7
172.05278	3.0
175.07597	3.6
180.09334	1.0
181.94379	1.1
187.07562	26.9
189.07048	7.6
189.09167	1.1
190.07784	24.8
191.08571	54.8
201.06935	1.6
202.07858	1.7
203.08586	1.9
205.06505	3.0
207.08054	6.5
208.08839	6.4
210.06853	1.1
218.07285	14.2
219.08067	65.5
220.08798	8.1
221.05887	4.0
221.09534	0.9
224.08325	1.0
225.09114	1.8
229.07564	2.0
233.09636	2.4
235.07549	9.0
236.08371	15.9
237.09094	3.6
246.06750	2.2
247.07564	25.9
248.08266	3.5
249.05531	1.2
249.09076	2.1
251.10695	86.1
252.11388	1.0
253.08638	7.5
261.09052	6.1
263.07144	2.9
264.07828	8.4
265.08609	3.7
267.10159	1.1
268.10968	2.1
278.09351	1.5
279.10184	69.7
280.07526	0.9
280.10846	4.4
281.08176	10.2
283.06207	1.2
283.09586	1.1
283.13074	1.7
293.11948	1.2
295.09470	1.4
296.10486	11.2
311.05664	7.8
311.12799	71.8
312.13086	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03930	3.4
53.28253	2.0
55.01863	3.7
55.05515	12.0
57.03441	2.9
57.07077	26.5
67.05505	14.6
68.99816	2.7
69.07069	8.6
71.04977	3.3
71.08630	8.3
71.51222	1.8
76.22372	2.1
79.05500	10.1
81.07058	13.7
83.04974	9.0
83.08615	6.0
91.05475	7.0
93.07050	10.6
95.04959	3.3
95.08618	11.5
97.02905	2.2
97.06529	5.1
97.10146	5.3
99.08118	4.9
105.07027	6.2
107.04955	5.4
107.08591	7.5
109.02908	4.9
109.06526	4.5
109.10173	6.0
111.04460	20.0
117.07037	3.1
119.08583	7.1
121.06542	2.9
121.10135	5.3
125.05996	6.4
131.08543	5.5
133.10121	6.0
135.04405	4.3
135.11745	3.8
137.05978	5.7
143.08542	3.1
145.10121	8.7
153.05482	16.4
157.10144	4.3
159.11685	3.9
161.13295	2.2
163.11185	3.6
173.13283	3.3
181.04930	5.0
181.12234	6.1
185.13213	3.0
191.08922	2.9
191.10696	12.7
197.13364	2.2
199.14844	2.6
209.11739	100.0
209.90468	1.9
217.56947	2.0
219.08098	2.8
232.07515	2.2
237.11220	83.9
247.07512	2.2
251.10538	2.2
255.12259	16.2
275.20056	4.6
279.10153	4.6
293.17825	4.0
293.21054	52.4
296.30731	2.2
297.78619	2.0
311.05212	2.5
311.12970	5.2
311.23828	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	311.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
54.82826	2.9
55.01868	8.5
55.05506	25.7
56.32174	2.9
57.03434	3.3
57.07071	26.4
63.87271	2.8
64.07735	3.3
65.03922	5.0
67.05503	48.5
67.51797	3.0
69.07073	64.6
71.04984	5.9
71.64901	3.0
72.08150	3.4
79.05493	33.4
81.03417	7.1
81.07050	60.2
83.04979	7.8
83.08644	15.4
88.78305	3.4
91.05482	43.7
93.06482	6.6
93.07047	100.0
94.59108	3.1
95.04974	56.6
95.08609	85.4
97.06529	30.8
97.10170	5.3
98.20735	8.1
103.05457	4.3
104.46609	3.5
105.04518	5.6
105.07033	75.7
107.04979	4.6
107.08595	49.2
109.06540	11.9
109.10165	34.4
111.04429	9.9
115.05474	4.0
117.07027	18.0
119.08579	75.7
121.06497	21.9
121.10145	58.3
123.08066	21.2
123.11690	17.6
125.06033	5.9
128.06232	4.6
129.07069	7.0
130.07814	5.3
131.08604	22.9
133.10126	47.2
135.04410	23.0
135.08055	13.1
135.11685	19.2
137.09613	4.1
137.13248	7.8
141.06920	3.7
142.07753	9.3
143.08533	17.6
144.09337	5.6
145.10133	40.6
146.07323	3.6
147.08023	3.9
147.11700	27.4
149.09605	10.6
149.13286	6.8
153.05455	11.6
153.61349	3.2
155.08534	7.8
156.09396	3.6
157.10114	29.0
159.11708	45.8
161.09633	34.0
161.13271	11.1
163.11168	4.1
169.10150	16.9
171.11673	18.8
173.09589	5.5
173.13284	13.8
175.14821	10.6
177.16408	20.7
179.08556	6.1
181.12274	3.9
183.11697	10.3
185.13255	8.5
187.14859	9.7
189.16362	14.4
191.10733	7.7
195.11658	3.6
197.13225	10.9
199.14828	10.3
201.16393	12.4
209.11699	59.9
209.13390	5.9
211.14850	12.5
213.16373	9.2
215.14275	4.2
215.18019	7.6
219.17503	3.5
223.14861	5.7
227.18065	4.4
237.11208	57.2
237.16429	5.7
241.19650	5.1
255.12280	12.9
255.21121	8.5
267.21036	4.8
293.22635	10.5
311.13135	3.3
311.16202	16.5
311.23697	41.3
311.27139	10.0
311.31326	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	313.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01874	1.1
56.05047	2.5
56.96571	18.6
57.03434	1.4
57.07067	0.6
60.05666	0.5
61.01157	1.0
61.02921	1.7
64.79786	0.5
65.86889	0.5
67.05502	1.0
69.03429	3.8
69.07084	0.7
70.06596	11.9
70.33241	0.5
70.98133	1.4
71.04976	1.0
71.06920	0.6
71.50266	0.7
71.95265	3.3
72.08143	1.7
72.93790	2.6
73.02902	1.6
76.57743	0.5
79.05509	0.8
81.03398	1.6
84.04518	1.3
84.08152	5.5
84.96041	1.2
85.02909	5.6
86.09724	1.3
87.04514	0.7
88.39328	0.5
89.06055	0.6
90.94827	1.3
91.05478	2.4
97.02905	5.7
97.96827	2.0
98.06062	2.3
98.97591	100.0
101.00768	0.6
102.96918	1.0
104.05351	2.6
106.87476	0.5
107.04964	5.5
109.02882	1.0
110.07147	1.2
110.97572	3.6
111.04478	0.7
112.07608	5.6
112.99114	0.7
113.96371	1.3
115.97845	1.1
116.98629	47.5
119.01866	0.6
119.04955	2.2
120.08122	0.7
121.06484	0.8
127.03918	2.3
128.02322	0.6
128.96356	0.8
128.98573	3.2
129.10243	1.3
131.00166	0.7
131.05016	0.6
131.97444	1.2
132.08101	0.6
132.95853	0.9
133.06458	1.1
134.06017	0.7
134.99664	16.2
136.06200	3.5
136.07578	4.3
137.05994	6.8
137.07924	0.8
138.06410	0.8
140.00189	1.0
141.99422	0.6
143.00182	1.5
145.04913	0.7
146.99664	1.4
147.04430	3.8
149.05994	1.4
151.09726	0.7
153.00711	1.9
156.03372	1.0
158.99644	2.9
160.02748	0.8
160.99181	1.8
161.01256	1.0
161.02802	0.9
161.06024	0.8
165.05510	1.4
167.07066	1.7
170.99684	0.9
172.95277	0.8
173.01202	1.2
173.98544	1.2
177.00774	2.5
179.00217	2.4
179.07001	1.3
186.04404	1.2
186.96942	0.8
186.99193	1.7
189.00713	1.3
191.03824	0.6
193.01758	1.0
193.04338	0.6
193.98878	1.0
195.03351	2.1
197.01236	1.8
197.10374	0.7
201.00754	1.7
202.01712	0.9
202.03703	0.8
202.98618	0.7
205.00098	0.7
206.04419	0.8
208.00366	3.0
208.04965	2.1
211.02774	1.3
211.99969	1.1
212.98380	0.9
213.04419	2.9
214.04968	0.8
214.12845	1.0
217.05521	0.6
219.01804	2.6
223.00977	0.6
223.02855	2.9
223.05400	2.5
223.96370	1.0
226.01530	5.7
227.02156	0.7
231.05309	0.7
232.06027	1.1
235.02803	25.5
237.02870	2.6
241.03931	7.4
244.02635	0.8
248.99274	0.6
253.03864	23.0
253.06073	0.9
255.01761	0.8
256.02597	1.3
259.04898	1.3
265.03860	7.8
265.06393	0.7
270.91785	0.9
271.04935	8.3
271.98553	1.0
276.05530	1.5
277.03842	0.6
283.04907	8.4
283.07727	0.9
289.07333	0.6
289.95105	1.1
290.94742	1.5
295.04810	13.9
295.07465	1.5
304.08112	0.7
313.05957	14.5
313.08954	5.9
313.14395	1.4
313.27457	1.1
314.12207	0.7
331.06937	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	9.9
56.05022	1.9
57.03438	5.4
61.02926	4.3
67.01885	3.3
67.05499	4.2
68.99812	1.7
69.03429	5.0
69.07078	2.0
70.06598	18.5
70.98121	1.5
71.06921	1.4
71.50008	1.5
71.50416	2.2
72.08152	2.1
73.02891	2.1
79.05482	1.8
81.03397	4.0
81.07053	2.3
83.04968	2.1
84.08142	11.5
85.02915	18.1
86.09700	6.0
88.04556	1.6
89.06024	3.1
91.05481	5.5
93.07042	3.1
95.04963	5.1
95.08607	2.2
97.02907	4.4
103.03944	4.9
103.05529	2.3
105.03467	1.9
105.07063	5.3
107.04961	4.4
107.08617	1.8
109.02881	12.7
109.06546	2.8
110.07192	2.5
112.08765	1.8
115.05470	2.2
117.07000	3.3
119.04967	6.6
121.02863	10.2
123.04439	8.0
123.08080	5.9
125.95436	1.4
127.03921	5.9
129.07025	2.5
129.10260	5.0
130.10594	1.9
133.06505	5.8
135.04460	4.1
136.07587	5.0
137.06017	5.2
137.09627	2.7
139.03915	5.8
143.04945	2.5
145.06479	3.9
145.44597	1.6
147.04419	9.8
151.03906	24.7
151.11145	3.2
153.01828	2.7
161.06042	8.8
163.03897	22.0
165.05492	11.6
165.06841	2.7
169.04974	17.4
171.04434	3.1
173.05942	2.0
175.03917	6.5
177.01874	2.0
177.05479	3.4
179.07034	3.2
181.04968	62.0
187.03946	10.4
189.01796	3.4
189.05460	15.8
193.04979	38.1
193.06708	2.0
195.02936	1.7
201.05617	2.1
205.04971	12.5
207.03065	3.0
207.06543	44.6
207.08418	3.0
213.05457	3.0
217.04953	8.2
219.06487	3.9
229.04996	18.0
231.06512	7.5
233.04408	4.7
235.06015	100.0
239.06866	1.9
241.04987	7.6
247.06038	86.4
249.07613	2.2
259.06046	44.3
260.13153	1.7
265.07056	8.6
277.07095	21.9
285.07703	2.5
295.08218	13.7
313.06955	5.3
313.10129	2.9
313.27545	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1548
Annotation	Phe Phe
Peak:m/z	Relative Intensity
53.03941	0.2
55.01867	0.2
55.66177	0.2
57.03424	0.2
58.60676	0.1
69.03419	0.2
70.06601	1.9
70.54391	0.4
70.63480	0.1
77.03932	0.2
79.05504	0.2
81.03421	0.3
81.07077	0.2
84.08141	0.2
85.02917	0.4
91.05481	0.9
91.20232	0.1
93.03419	0.2
93.07056	1.8
99.04470	0.1
102.62438	0.2
103.05474	6.2
105.07050	0.4
107.04973	0.3
107.28263	0.1
109.02883	0.3
119.04989	0.3
120.08115	100.0
121.02861	0.8
121.08446	0.3
127.08710	0.2
131.04900	0.2
137.05997	0.3
145.02859	0.3
149.02376	0.6
149.06032	0.4
151.03941	1.0
151.19402	0.2
165.01709	0.2
166.08650	4.3
166.09969	0.3
167.03423	0.5
177.01852	0.4
195.02951	0.3
221.05908	0.2
229.04842	0.1
267.06549	1.6
267.14938	0.5
269.04437	0.2
270.05276	0.6
283.06082	1.3
284.06781	1.9
285.07489	0.3
295.06021	1.0
313.07083	11.9
313.15451	1.7
313.19769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.214
Annotation	(E)-Guggulsterone
Peak:m/z	Relative Intensity
55.05502	2.7
57.03440	1.6
57.07084	6.2
67.05502	5.0
69.07054	2.9
70.06591	5.5
71.08623	4.3
71.51267	2.0
79.05489	3.3
81.07066	6.3
83.08592	2.4
85.10178	2.1
91.05485	2.9
93.07048	3.5
95.08611	6.3
105.07046	2.8
107.08564	3.4
109.10155	2.5
119.08587	4.1
121.10121	3.2
124.45386	1.4
131.08553	1.4
133.10121	2.0
143.08575	2.3
145.10150	2.0
157.10150	2.7
159.11693	2.8
169.78223	1.2
171.11626	1.7
173.13274	2.9
183.11716	1.5
187.14969	1.4
194.09677	1.2
199.14986	1.6
255.21049	1.4
295.24280	2.3
310.03806	1.2
313.07123	1.4
313.21436	100.0
313.24765	4.0
314.13666	2.4
314.34140	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	313.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30578	1.8
55.01850	3.0
55.05510	13.4
57.03426	3.0
57.07065	12.4
60.13964	2.0
65.53674	1.7
67.05507	23.0
67.56091	2.1
69.07076	20.9
70.06580	2.8
70.12711	5.5
70.13107	3.0
71.08609	5.5
73.83292	2.1
77.54166	2.2
79.05497	19.2
81.03410	2.0
81.07063	65.1
83.08591	7.1
83.45105	2.0
85.06548	17.1
85.10169	2.2
88.07591	3.0
91.04984	2.2
91.05493	29.7
93.07048	47.1
95.04928	2.8
95.08610	48.1
96.70461	1.8
97.06509	3.8
97.10136	5.4
99.08058	2.0
105.06405	3.3
105.07039	40.1
105.07736	3.6
105.08063	2.2
107.08600	36.0
108.08940	2.6
109.06476	4.1
109.10164	30.5
111.08037	7.7
111.11662	2.6
117.06995	6.1
119.07843	2.2
119.08592	39.4
121.06455	2.7
121.10136	27.9
123.11716	9.9
125.09509	3.2
127.68331	2.1
128.06204	2.9
129.06950	6.4
130.07800	2.4
131.07710	2.5
131.08578	23.6
133.10156	25.8
135.08089	3.3
135.11702	14.4
141.06953	2.2
142.07800	2.8
143.08566	15.8
145.10114	30.3
147.11685	22.6
149.09569	2.1
149.13280	11.8
151.11224	2.6
155.08527	4.5
155.41711	2.0
156.09293	3.1
157.10139	22.1
159.11703	38.7
161.13297	17.7
163.11174	3.5
163.14778	6.3
169.10069	6.0
171.11658	13.2
173.13295	21.8
175.14876	10.7
177.00458	2.1
177.12788	2.2
183.11665	8.5
185.13249	16.1
187.14848	18.1
189.12685	4.4
189.16321	4.9
191.14189	3.1
197.13199	7.3
199.14798	15.6
201.16385	19.1
203.14285	6.4
203.17947	6.8
211.12679	2.3
211.14769	7.5
213.16374	17.3
215.17984	26.0
217.15840	3.1
225.16310	8.8
227.17834	5.6
231.17413	4.0
239.17844	9.0
243.17412	2.8
253.19464	6.6
255.21014	8.6
257.18906	3.9
267.21075	4.2
269.22580	6.6
295.24240	49.3
313.10468	2.2
313.21677	6.0
313.25153	100.0
313.32825	22.1
314.34018	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.6
53.76086	1.7
55.01867	2.1
55.05521	14.2
56.04657	1.7
57.03197	1.9
57.03442	24.3
57.07080	79.9
62.16596	1.7
67.05511	29.1
67.05862	2.8
67.05995	1.6
69.07070	23.7
71.08640	52.2
71.36024	3.8
75.18671	2.0
79.05486	11.3
81.06592	3.0
81.07060	57.8
83.04954	2.1
83.08624	21.0
85.06536	11.4
85.10197	27.9
85.81934	1.8
89.06016	2.4
90.69991	2.1
91.05491	14.1
93.07049	31.7
95.04971	3.0
95.08614	60.7
97.06515	2.9
97.10162	11.2
103.07557	4.0
105.07034	24.4
107.08594	25.7
109.10169	33.0
111.08039	2.1
111.11726	2.7
117.07027	3.7
119.08585	22.4
121.06473	2.4
121.10159	15.6
123.11723	11.7
126.75680	2.1
129.07004	2.6
131.08556	12.3
133.10144	11.7
135.11690	8.8
137.13249	5.4
143.08545	6.5
144.09248	2.1
145.10136	21.6
147.11684	13.3
149.13268	7.2
151.11081	2.5
156.09314	2.7
157.10143	14.1
159.11681	25.6
161.13254	11.4
163.11108	2.4
163.14839	4.3
169.10136	3.3
171.11667	9.8
173.13274	13.0
175.14807	7.7
183.11723	5.4
184.12657	2.0
185.13246	8.4
187.14755	9.7
189.16451	2.5
197.13220	3.8
199.14711	11.1
201.16393	10.6
203.14417	3.4
203.17976	3.6
211.14810	4.7
213.16408	12.7
215.17932	12.6
217.15907	3.5
225.16403	6.1
227.18050	4.2
239.17793	6.0
239.23703	5.4
240.18628	2.3
243.17471	2.3
253.19450	3.8
255.21066	7.0
257.24753	7.3
267.21277	2.2
269.22647	5.1
285.25839	2.0
295.21127	1.6
295.24203	34.7
313.24680	29.6
313.27344	100.0
313.36725	3.6
321.55087	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09528	0.7
54.90743	0.8
55.05272	0.8
55.05516	11.9
57.03445	22.7
57.07080	72.6
61.69965	0.7
62.01524	0.7
67.05176	1.2
67.05508	15.0
69.07074	12.5
69.37070	3.4
69.37494	2.1
71.08636	44.7
79.05489	1.1
81.07062	19.0
82.66309	0.7
83.08627	16.1
85.06546	0.9
85.10188	24.7
89.06033	4.6
93.07050	1.2
95.08615	26.4
95.10924	0.8
97.10166	7.7
103.07585	2.7
109.10166	12.9
111.11732	1.7
113.13296	0.7
117.09100	0.9
121.10143	1.2
123.11710	4.7
123.92799	0.7
135.11687	1.0
137.13300	2.2
151.14841	0.9
165.16391	1.0
239.23698	4.7
257.24738	8.0
313.27386	100.0
314.27649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	9.2
57.03439	21.6
57.07078	65.0
67.03013	1.1
67.05505	12.5
68.76658	0.9
69.07075	16.8
71.05006	1.1
71.08633	44.2
71.51798	1.3
74.06095	1.8
79.05463	2.4
81.07064	19.1
83.08615	14.1
85.06531	1.3
85.10188	21.0
86.27959	0.9
87.27056	0.9
88.07642	1.2
89.06021	3.0
91.05470	2.9
93.07055	2.7
95.04969	1.1
95.08610	27.5
97.10177	6.8
99.08057	1.3
103.07588	2.6
104.71095	0.9
105.06989	2.4
107.08577	3.0
109.10165	14.5
111.11708	1.5
119.08560	2.2
121.06501	4.2
121.10146	3.0
123.11687	7.4
125.13271	1.0
133.10147	1.9
135.11656	1.4
137.13266	2.7
149.05949	5.9
149.13251	1.4
151.14824	1.0
159.11661	1.5
161.13261	1.7
163.14830	1.1
165.16385	1.1
175.14775	1.1
239.23718	4.0
257.11749	2.5
257.24738	4.3
302.94980	1.0
313.27377	100.0
313.32660	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	8.6
57.03164	0.9
57.03442	21.6
57.07080	65.0
67.05181	1.1
67.05509	12.3
69.06731	1.0
69.07075	11.3
70.60732	0.6
70.64153	1.4
70.64485	0.8
71.08637	41.7
75.04436	0.9
79.05482	1.7
81.07064	17.1
83.08629	13.8
85.06534	0.6
85.10188	24.0
89.06039	3.4
93.07045	1.8
95.08616	23.6
97.10176	6.3
99.11739	2.0
101.05962	0.7
103.07585	2.3
107.08622	0.8
109.10163	11.2
111.11722	1.9
112.22364	0.7
123.11728	5.6
125.13299	1.1
137.13309	1.4
160.16814	0.6
168.24342	0.7
178.74380	0.6
183.10712	0.7
239.23642	4.9
257.24799	6.9
313.27386	100.0
314.27646	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93164	0.8
55.05515	9.5
57.03160	0.9
57.03442	22.1
57.07081	62.7
67.05513	14.7
69.07071	11.8
71.08638	45.5
80.47799	0.8
81.07059	19.2
83.08622	15.0
85.06586	1.0
85.10189	23.4
89.06034	3.8
93.07004	1.4
95.08614	28.1
97.10194	7.8
98.20718	1.5
99.11711	1.5
101.06031	1.3
103.07580	2.5
107.08609	1.9
109.10175	13.3
111.11730	1.8
119.08607	1.3
121.10083	0.8
121.22997	0.8
123.11715	6.2
125.09619	1.0
137.13254	2.8
151.14763	0.9
165.16467	1.0
221.22551	1.5
239.23692	4.0
257.24777	7.7
275.54526	0.8
298.27560	1.0
313.27396	100.0
314.13800	2.0
314.27722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.9637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61193	0.7
55.01867	1.1
55.05494	1.6
56.05045	1.7
56.96569	27.4
56.96852	1.6
57.03444	3.8
60.04500	1.1
61.02922	3.5
67.05512	2.5
69.03432	10.0
69.07070	1.2
70.06602	16.7
70.46922	1.4
71.05000	1.7
71.95287	3.6
72.08160	3.8
72.93787	1.9
73.02918	2.3
74.06052	1.3
80.05000	0.9
81.03437	3.6
81.07046	1.1
82.06588	1.3
83.05042	0.9
83.06107	1.0
84.04509	2.9
84.08149	13.6
84.96028	3.7
85.02918	12.0
86.09715	8.5
87.04489	1.1
90.05512	0.8
90.94834	0.8
93.07080	1.0
95.04955	0.8
97.02301	1.1
97.02898	18.6
98.97590	100.0
99.04440	1.4
99.97930	1.3
101.00896	2.8
101.01588	0.7
104.05322	0.8
106.06557	2.0
107.04961	2.5
108.08126	42.1
109.02897	1.9
110.07190	6.1
110.97575	4.3
112.07610	1.5
112.08775	1.2
112.99146	2.1
113.00854	1.1
116.07103	2.1
116.98628	54.7
119.01902	3.6
120.02027	1.4
121.01699	0.9
123.06808	2.8
124.07597	6.6
124.99125	1.6
127.03915	3.1
127.08647	1.1
128.98625	5.1
129.10243	3.4
130.93300	1.4
131.00200	1.4
131.01924	0.8
132.10284	0.9
132.95862	1.8
134.06000	4.4
134.09673	11.5
134.99666	20.5
136.06194	25.0
136.07571	10.3
136.11171	0.9
140.00183	1.4
143.00180	1.3
143.01753	0.9
145.03413	0.8
145.04979	1.3
146.99625	1.2
147.03088	0.7
147.04410	1.0
149.01196	1.0
152.05836	1.5
152.07068	26.9
152.10718	13.1
153.00684	0.8
154.08612	1.9
155.00192	0.9
156.03355	2.1
158.99727	1.6
161.01297	1.4
161.02785	0.9
164.05673	1.1
168.03326	1.5
170.99625	2.2
172.94392	3.6
173.02928	1.6
174.04474	1.4
174.99092	1.2
177.00841	1.8
177.04172	2.0
178.07257	0.9
182.99658	1.0
185.02914	1.2
186.04448	3.9
189.00803	1.6
190.95395	2.5
197.10367	0.8
199.10791	0.8
200.97139	1.1
201.00745	2.1
203.02295	1.0
204.05434	2.2
206.92743	1.0
218.98264	2.5
219.01808	4.6
220.02321	1.4
224.04681	2.1
229.14799	1.2
230.98143	2.6
231.01825	0.9
232.14230	0.8
232.96442	1.4
236.04901	1.9
236.99422	1.6
237.02835	2.8
248.93658	3.0
248.99236	16.0
249.01878	1.4
254.05777	2.8
258.99857	1.3
267.00250	7.5
272.93582	10.9
272.96097	2.1
273.02890	0.8
284.05118	0.9
290.19647	0.8
290.94708	56.3
291.03784	2.7
291.65576	1.1
296.07965	1.4
308.95856	6.6
309.01224	1.9
313.22357	1.1
313.96390	1.3
314.08481	5.6
314.12360	30.8
314.16080	8.2
314.20053	1.6
315.07355	1.8
315.10812	0.9
332.03317	1.0
332.06842	1.7
332.10455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07771	0.2
55.05507	0.3
57.07079	8.9
57.71138	0.2
58.06611	1.3
60.04525	0.2
62.06097	3.3
67.05499	0.3
69.07051	0.4
70.06608	0.2
71.00764	0.3
71.01096	0.2
71.08637	3.8
72.08158	1.5
75.43613	0.2
81.07068	0.2
85.10186	0.9
93.07025	0.2
96.51647	0.2
109.10140	0.2
156.17473	1.8
159.49858	0.2
170.19058	0.3
172.16960	0.4
174.18553	5.5
184.20612	1.7
198.22176	0.3
202.21678	5.3
233.36461	0.2
270.31616	0.3
296.29535	0.6
296.33139	1.4
298.10635	0.7
299.11658	0.3
314.13971	1.3
314.34177	100.0
315.34534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40567	0.9
53.03946	7.0
54.95705	0.8
55.01870	2.3
55.05489	0.8
58.25154	0.9
62.48451	0.8
67.05503	1.2
69.03416	1.1
69.66867	5.6
71.04974	1.1
74.51843	0.9
79.05489	2.0
81.03419	37.2
81.07047	1.8
83.04962	1.7
85.02878	1.0
91.05481	3.5
95.04980	1.8
95.08612	1.9
97.02892	2.4
98.20817	1.0
105.03398	2.1
105.07027	5.8
107.04953	1.6
107.08596	2.1
109.02883	100.0
109.10185	1.4
115.05450	6.7
117.07018	6.0
119.08571	1.6
119.94258	0.9
127.03880	1.7
127.76517	0.9
131.08598	1.1
133.06502	9.9
133.10139	1.2
137.05946	3.0
143.04922	1.9
145.10144	1.6
146.03639	1.4
149.09604	0.9
152.06181	1.5
153.06978	1.1
161.05995	27.9
161.13226	1.2
165.06960	2.3
167.08534	1.9
169.06335	1.0
169.10172	1.2
171.04445	5.1
171.08083	1.3
176.06067	1.3
177.07057	1.6
178.72060	0.9
181.06500	1.5
185.06129	1.0
189.05405	1.4
191.06934	1.0
195.02924	1.4
195.08066	4.2
197.06032	2.3
199.07674	4.3
205.06528	1.0
211.07501	2.1
217.08548	1.2
221.05884	1.5
222.06837	1.0
223.07559	4.5
237.09029	1.6
239.06914	2.3
240.07854	2.0
241.08505	1.1
251.07043	1.8
253.08656	1.0
255.10252	3.6
265.08575	1.8
269.08026	2.7
283.09573	9.6
284.10367	3.3
297.07584	1.0
297.10999	1.1
315.08484	3.8
315.12177	6.9
315.15778	2.0
315.19608	1.5
315.23096	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.8
51.41099	0.6
53.03954	7.3
55.01866	1.7
55.05518	1.1
58.48653	0.6
67.05502	0.9
69.03427	2.3
71.11626	1.1
71.11969	0.7
74.10091	0.7
76.36396	0.6
79.05505	1.5
81.03427	36.5
81.07050	1.3
91.05486	4.1
93.07055	1.1
95.04973	1.2
95.08590	1.3
95.99344	0.6
97.02901	3.1
103.05477	1.1
105.03413	2.6
105.07052	7.3
107.04971	0.9
107.08618	1.7
109.02893	100.0
109.06562	1.0
115.05468	11.0
117.07036	12.3
119.04963	0.7
119.08573	0.7
121.10208	1.2
127.03928	7.7
128.20593	0.7
129.07021	1.6
130.81137	0.7
131.04926	1.6
131.08521	1.1
133.06512	11.4
137.05988	0.8
141.07021	1.0
143.04942	3.3
143.08540	1.1
145.06502	1.8
145.10185	1.1
147.11694	0.8
149.09657	1.1
153.07048	1.2
155.08609	1.2
157.06558	1.3
157.10165	1.1
161.06003	32.7
165.07060	2.8
167.08580	2.4
169.06532	1.4
171.04422	8.8
171.08058	1.4
174.72058	0.7
178.07758	0.9
179.08580	1.7
181.06509	0.9
183.08070	1.7
187.03819	0.7
189.05435	1.0
193.06548	0.6
194.07336	1.7
195.08099	3.1
197.06056	2.3
199.07622	2.5
205.06583	1.2
209.09677	1.1
211.07658	2.0
221.06065	1.0
222.06754	1.3
223.07605	4.2
225.05646	0.7
225.09052	1.0
227.07076	1.0
237.09233	1.3
239.07098	2.5
240.07817	1.6
243.10207	1.0
251.07083	2.4
253.08746	1.1
254.09369	0.8
255.10231	3.1
265.08737	1.8
266.09479	2.2
269.08087	2.8
269.11783	0.6
271.09888	0.8
273.07571	0.8
283.09665	9.1
284.10477	4.4
297.07727	2.4
297.11240	2.8
315.08670	4.3
315.12360	4.4
315.23257	1.6
315.26770	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27471	1.4
53.03946	7.5
55.01850	1.6
60.20805	1.8
70.95788	3.8
77.38444	1.6
81.02985	3.0
81.03423	32.4
97.02894	3.7
98.21128	2.1
105.07050	7.6
107.80066	1.7
108.41793	1.6
109.02892	100.0
110.51749	1.6
115.05467	10.9
117.03694	1.5
117.07034	9.9
127.03907	5.9
129.07085	2.3
133.06490	10.2
143.04987	3.0
151.07552	2.2
161.05997	32.5
171.04440	6.8
189.05553	2.4
195.08125	2.4
229.75627	1.6
269.08179	3.5
283.09717	2.5
297.07834	2.4
315.08530	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	315.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.6
60.30898	1.2
64.21400	1.3
65.56383	1.3
67.05465	1.8
70.66108	2.7
70.66440	3.0
79.05520	1.6
81.03422	33.5
81.07080	1.5
85.02931	1.4
91.05491	4.2
97.02871	2.1
98.03912	1.4
103.05489	4.2
105.07010	8.3
107.08591	2.0
109.02883	100.0
109.10104	1.3
115.05451	10.1
117.07018	11.7
121.10234	1.8
127.03912	6.3
131.04900	3.4
133.06503	13.7
143.04910	3.9
147.11722	1.7
155.08595	1.4
156.35248	1.3
157.06482	1.6
161.05995	35.7
163.07483	1.9
167.08585	1.9
171.04395	6.2
177.06903	1.6
179.08633	1.4
181.06419	2.1
191.06963	1.6
195.07980	2.7
197.05992	2.1
211.07544	3.3
222.06833	1.8
223.07588	3.0
239.07225	2.6
269.07971	3.0
283.09650	9.1
297.07584	2.4
310.27444	1.4
315.08612	5.4
315.12256	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.7
53.03952	9.7
55.05523	2.0
57.03398	1.6
58.56041	1.3
58.89761	1.3
62.05445	1.4
64.40639	1.4
67.05502	2.2
69.07063	2.2
72.36376	1.3
78.41798	1.3
79.05462	1.4
81.03424	31.6
81.07060	3.5
83.08630	1.5
86.63095	1.3
87.91846	1.4
91.05473	4.2
93.07041	3.3
95.04992	2.0
95.08620	3.6
97.02888	3.3
103.05439	1.7
105.03397	2.9
105.07034	6.5
107.08569	2.1
109.02888	100.0
109.10139	1.6
115.05442	9.7
117.07021	12.2
119.08595	1.7
121.10139	2.1
127.03897	5.4
129.07060	2.0
133.06512	10.6
133.10104	1.3
135.68466	1.3
143.04906	2.7
145.06526	2.2
145.10176	2.1
147.11676	1.7
147.87724	1.3
149.05954	1.7
153.06987	1.6
155.08612	1.6
159.11737	2.0
161.05991	26.9
165.06992	1.8
171.04431	5.3
171.08112	1.9
173.13255	2.2
181.06554	1.7
183.08083	2.3
189.08971	1.7
195.02847	1.6
195.07991	2.8
197.06012	2.9
199.07542	3.2
223.07465	3.1
239.76094	1.4
269.08081	3.7
283.09607	5.2
295.67447	1.6
297.07462	2.5
297.18320	2.0
304.25543	1.5
315.08478	5.5
315.12067	2.8
315.19577	2.0
315.23053	4.2
315.26483	1.9
316.32138	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
52.45270	0.7
53.03950	9.3
55.01876	1.6
55.79005	0.7
60.04519	0.8
67.05502	3.0
70.85979	1.4
71.04977	0.8
79.05484	1.6
81.03420	39.1
81.07042	2.7
91.05473	3.6
93.07030	1.8
95.08603	2.4
97.02888	2.9
105.03397	2.0
105.07034	6.0
107.04951	1.4
109.02885	100.0
110.03224	0.9
115.05447	7.5
117.07031	10.3
119.08604	1.5
121.10215	0.8
127.03911	7.0
133.06485	9.5
141.06967	1.1
143.04935	2.6
145.06508	1.9
147.11604	0.9
152.06180	1.0
155.05960	0.9
155.08612	1.2
157.06534	0.8
159.11786	1.3
161.04643	1.4
161.05984	26.0
166.07701	0.8
167.08600	1.5
169.06509	1.2
171.04411	7.6
171.08049	1.4
177.07022	1.0
181.06532	1.0
183.08040	1.8
189.05504	2.0
195.08003	2.5
197.05981	2.2
199.07596	2.7
211.07457	1.4
216.19180	0.8
223.07555	2.4
227.07004	1.1
239.07272	1.3
251.07188	1.1
255.06607	0.9
255.10080	1.2
269.08139	2.0
279.23361	1.1
283.09610	6.4
285.08737	2.3
297.07513	2.4
315.08578	4.6
315.12637	3.3
315.19727	1.6
315.23248	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
Peak:m/z	Relative Intensity
53.03935	0.4
55.01859	0.3
57.03443	7.9
62.53730	0.2
63.92109	0.1
65.03941	0.3
68.99791	1.2
69.03438	0.2
70.06583	0.3
70.77039	0.4
71.04980	0.2
81.03416	2.8
83.01345	0.6
85.02911	20.3
90.89500	0.1
93.03410	0.4
95.04945	0.2
97.02903	1.2
107.01298	0.8
107.04955	0.2
109.02898	3.0
111.00798	1.2
111.04430	0.2
111.98772	0.2
119.04916	0.3
121.02891	1.4
123.04466	0.3
125.02367	3.9
127.03913	0.4
135.00790	0.3
139.03925	0.3
147.04422	0.7
149.02328	2.1
153.01837	2.7
161.06009	0.2
167.03439	0.5
171.02898	3.2
177.01865	1.8
195.02905	100.0
196.03223	0.6
213.03978	0.6
223.07410	0.2
240.15260	0.2
265.11246	0.2
273.07681	0.9
283.09656	0.4
315.08734	2.5
315.12164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.1
51.71951	0.1
53.03949	0.2
55.01878	0.4
57.03441	8.5
64.00938	0.1
65.03929	0.3
67.01875	0.3
68.99785	0.9
69.03448	0.1
70.06612	0.1
70.77373	0.4
71.05017	0.2
81.03421	2.6
83.01343	0.4
83.04987	0.1
85.02908	22.0
91.05490	0.3
93.03389	0.3
97.02902	1.3
99.04447	0.3
107.01322	1.1
107.04954	0.2
109.02895	3.0
111.00810	1.3
111.04430	0.2
119.04916	0.4
121.02859	2.0
123.04427	0.2
125.02362	4.2
127.03914	0.6
135.00732	0.2
139.03923	0.3
147.04391	0.4
149.02356	2.2
153.01836	2.5
161.06003	0.2
162.05486	0.5
165.07016	0.2
167.03423	0.5
171.02888	2.9
177.01862	2.2
195.02898	100.0
196.03232	0.6
202.68552	0.1
204.65385	0.1
213.03966	0.4
222.06818	0.2
223.07472	0.2
237.08981	0.2
265.08536	0.2
273.07681	0.7
283.09668	0.3
294.30893	0.1
297.10922	0.2
315.08649	2.4
315.12134	0.2
338.14822	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	315.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01867	2.3
55.05510	9.0
57.03441	4.8
65.03945	1.5
67.05502	5.1
69.03430	20.2
69.07069	1.9
69.09328	0.7
70.23745	0.7
71.01350	2.4
71.04984	2.1
74.93224	0.7
79.05491	4.9
81.03422	100.0
81.07059	2.9
83.04985	42.6
85.02908	26.6
85.06501	0.6
91.05486	5.3
93.03435	1.2
93.07056	3.0
94.60303	0.7
95.01324	5.8
95.04983	10.2
95.08611	2.8
97.02882	4.2
97.06559	1.2
98.21591	2.4
99.04475	3.5
101.06078	0.8
105.07014	4.2
107.04976	4.6
107.08602	1.8
109.02887	19.1
109.06567	2.2
109.10201	1.5
111.04443	9.8
111.08085	1.3
113.06014	2.0
115.05465	1.8
117.07022	2.7
119.04977	2.9
119.08585	1.0
121.02904	1.5
121.06540	2.2
121.10165	1.5
123.04430	6.3
125.02374	1.8
127.03950	5.5
128.06198	0.9
129.05522	2.5
130.19780	0.8
131.04933	1.7
131.08586	1.0
133.06451	1.0
135.04420	6.9
135.08037	1.4
135.11748	0.8
137.05972	4.1
141.05493	1.2
145.06474	1.7
145.10149	1.7
146.03677	0.8
147.04449	1.7
147.11728	1.6
149.06010	2.9
151.03957	2.3
152.06255	1.1
153.05492	1.7
153.06905	0.9
157.04994	7.3
157.10046	1.1
159.11696	1.3
161.05922	4.5
161.13347	0.8
163.07503	1.6
165.05501	2.5
165.06970	1.6
166.07748	1.0
167.07124	1.0
167.08553	1.0
171.04419	1.5
173.06061	0.8
177.07037	1.4
178.07674	0.9
189.16269	0.8
191.07060	2.8
193.04997	1.4
193.06549	0.8
194.07362	1.3
195.02953	1.5
195.08102	2.7
205.06583	1.7
208.05334	1.7
209.06096	1.1
209.08072	1.1
211.07619	1.6
222.06851	1.0
223.07603	2.5
224.08359	0.8
226.09891	0.8
229.06889	0.8
237.07478	12.6
239.07166	1.9
240.07904	0.8
241.12190	0.9
251.06999	1.8
255.08301	1.2
255.10329	3.0
265.08640	3.8
266.09378	2.2
269.08167	1.4
269.11838	1.8
272.10385	1.5
282.08908	1.0
283.09644	9.9
284.10434	5.6
297.11310	3.3
297.18683	1.5
297.25635	0.8
300.35129	0.7
315.08499	1.7
315.12476	6.6
315.15952	1.2
315.19495	4.6
315.23090	1.3
315.26831	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.01888	2.1
55.05516	8.9
57.03444	8.0
63.54036	0.9
63.68425	0.8
64.53104	0.9
65.03944	1.8
67.05496	5.0
69.03435	28.1
69.07084	1.1
70.06599	1.2
71.01349	3.9
71.04994	3.8
71.51787	1.0
71.89322	0.8
79.05488	4.7
81.03423	100.0
81.07059	3.1
82.03709	1.1
83.04987	45.8
85.02913	34.8
85.03432	1.2
87.04459	1.2
91.05495	5.0
93.07039	2.6
95.01340	8.4
95.04993	11.9
95.08613	1.3
97.02906	6.8
99.04451	4.4
101.05982	1.0
103.05446	1.3
105.07052	3.3
107.04971	6.9
107.08591	1.5
109.02889	17.7
109.06541	1.2
109.10195	0.8
111.04449	12.2
113.06020	2.1
115.05445	0.9
117.07038	1.2
118.04124	1.1
119.04946	2.8
121.02901	2.1
121.06495	1.8
123.04432	5.9
125.02365	3.6
127.03938	5.2
129.05502	2.8
131.04953	3.2
133.10083	0.9
135.04434	7.6
135.08075	1.7
137.05992	7.5
141.05452	2.8
145.06514	1.6
146.03610	1.9
147.04448	2.2
149.05972	2.7
151.03934	3.3
151.07574	2.3
152.06210	1.2
157.04976	9.0
161.06024	8.0
161.13278	0.9
163.04056	1.4
163.07561	4.4
165.05525	2.6
165.07019	3.5
166.07693	0.9
167.07076	1.1
167.08482	1.4
175.03860	1.0
177.05499	1.0
177.07040	2.0
181.06519	1.2
191.07042	4.1
193.04944	1.1
193.06512	1.7
194.07298	2.1
195.02907	21.0
195.08044	5.6
197.06039	2.0
208.05270	2.3
209.07954	1.4
210.06825	1.1
211.07602	1.8
219.06525	0.9
222.06761	2.4
223.07549	6.5
224.08237	1.4
225.05486	1.9
227.07158	0.9
236.04767	1.0
237.07430	13.6
239.07013	1.4
240.07906	2.5
241.08762	1.0
251.07039	2.4
253.08748	2.0
254.09392	1.4
255.10440	7.4
265.08615	4.7
266.71991	0.9
269.08148	3.4
283.09631	17.3
284.10437	3.5
285.07825	1.3
297.11298	3.5
297.72861	0.9
300.09875	1.1
315.08585	2.1
315.12344	15.5
315.19666	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05514	6.0
55.93494	0.7
56.05033	1.4
56.96559	1.3
57.03418	0.8
58.25485	0.7
67.05482	1.4
69.03415	2.8
69.07034	1.1
70.06590	6.1
71.49766	0.7
71.50158	1.1
72.08150	4.2
72.93790	1.5
73.02915	0.9
79.05484	1.2
81.03409	2.3
81.07050	1.0
82.06585	61.6
84.04510	1.0
84.08158	7.0
85.02908	7.3
86.09712	5.2
87.04424	0.8
87.10031	0.9
89.96437	1.0
91.05474	1.3
95.01346	0.8
95.04967	0.9
97.02892	6.4
98.97562	1.7
106.04911	0.8
107.04977	4.2
108.05384	0.7
109.02893	2.1
110.06068	0.8
115.08747	0.8
116.98587	1.0
118.08539	0.8
123.04491	0.7
127.03943	1.8
128.07048	1.3
129.10246	3.0
130.08643	1.8
132.95889	0.9
137.05984	1.6
144.95850	1.4
147.04391	1.0
153.06593	100.0
154.06903	1.5
158.97409	1.2
184.00598	1.1
185.04150	1.0
195.02939	1.5
195.07649	12.7
203.05357	1.3
217.26157	0.9
219.07646	2.8
226.01711	2.2
234.99078	1.7
244.02682	1.0
261.08765	1.8
274.03906	1.2
292.04810	3.6
304.16183	0.9
315.10526	87.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1227
Annotation	Magnaldehyde C
Peak:m/z	Relative Intensity
55.01863	0.6
57.03423	0.5
67.05484	1.0
69.03437	0.8
69.07029	0.5
70.06918	2.1
75.04455	0.4
79.05473	1.2
81.03403	1.7
81.07042	0.9
83.04974	0.8
84.64478	0.4
85.02920	1.0
91.05476	1.4
93.07048	1.1
95.04975	0.4
95.08610	0.7
98.20866	0.6
101.49364	0.5
103.05493	0.5
105.07027	1.2
107.04977	0.6
107.08612	0.5
109.06548	0.8
109.10169	0.5
131.04979	0.6
131.08582	0.9
133.10112	0.8
133.55528	0.4
137.05954	1.0
137.38826	0.4
139.70766	0.5
140.82300	0.4
143.08505	0.6
145.10103	0.7
146.03574	0.7
147.11736	0.5
151.07452	0.5
152.06189	0.6
153.06889	0.7
155.08543	0.7
159.11696	0.8
161.05983	2.9
163.11180	0.5
165.06976	4.3
166.07764	2.5
167.08534	1.2
169.06490	0.5
173.13414	0.5
176.06303	0.5
177.06958	2.3
178.07771	1.7
179.08556	4.8
181.06512	1.6
181.10057	1.1
182.07268	0.5
183.08052	3.2
188.08302	0.6
190.07733	0.9
191.07008	0.7
191.08615	1.0
193.06529	1.9
194.07266	6.5
195.02899	0.9
195.08032	7.2
196.08856	1.3
197.05959	1.3
197.09619	0.8
199.11200	0.5
201.09140	1.1
204.05804	0.6
205.06458	5.4
206.07300	2.6
207.08061	3.9
208.05148	0.6
208.08795	1.5
208.84473	0.4
209.09615	10.8
210.06889	0.9
210.10391	4.4
211.07545	9.8
212.08409	2.1
212.10228	0.5
213.08998	0.9
217.06439	1.0
218.07259	0.8
219.08075	1.9
220.08809	1.2
221.05986	4.2
221.09540	1.1
222.06749	4.5
223.07530	8.7
224.08304	1.2
225.05537	0.8
225.09114	4.2
226.06258	0.7
226.09880	7.7
227.10626	2.6
228.11243	0.6
229.08540	1.4
233.05971	3.9
234.06779	2.3
235.07513	4.4
236.04593	0.6
236.08243	2.7
237.09105	21.8
238.09857	4.5
239.07021	10.4
239.10463	2.1
240.07782	1.5
240.11479	1.0
241.08572	3.5
241.12260	5.6
243.10204	1.3
247.07552	2.7
248.08342	3.8
249.05467	2.5
249.09111	2.3
250.06210	3.5
251.07045	10.5
251.10674	7.8
252.07712	3.0
253.08565	8.4
254.09390	7.9
255.10149	7.0
256.10754	0.8
257.08084	4.7
264.07816	1.8
265.08582	14.5
266.09384	33.6
267.06537	4.2
267.10135	6.9
268.07275	1.3
268.10440	0.6
269.08118	8.0
269.11719	21.3
270.08844	0.8
271.09674	2.6
272.10434	20.9
279.10190	5.9
280.10907	0.9
281.08228	2.5
282.08875	11.1
283.09662	12.7
284.10428	100.0
285.10876	1.9
297.11206	49.8
298.11603	0.8
300.09811	0.8
315.12238	31.0
315.23062	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1592
Annotation	Ferulagol A
Peak:m/z	Relative Intensity
50.04180	0.4
53.03926	0.7
54.78369	0.4
55.01873	0.7
55.05510	8.9
57.07077	9.0
59.05006	16.6
62.06432	0.4
64.34486	0.4
65.03939	0.9
66.24612	0.5
67.05488	1.6
67.34208	0.4
68.99798	0.7
69.07041	1.7
70.15556	1.8
74.06097	0.6
79.05481	1.1
81.03413	0.6
81.07043	1.7
83.01316	1.3
83.04978	1.1
85.06548	8.2
91.05486	8.9
93.07023	1.1
95.08607	1.1
103.05460	1.7
105.07013	1.4
106.66470	0.4
107.04929	0.7
107.08576	0.9
109.02857	1.9
112.39065	0.5
115.05426	1.6
117.07033	1.0
119.04955	4.7
119.08545	0.6
121.06535	0.8
128.06177	0.8
129.07010	0.9
131.04936	4.3
131.08539	0.7
131.22113	0.4
133.06474	1.9
135.11687	0.5
145.06479	0.9
145.10133	0.8
147.03238	0.9
147.04419	18.4
149.06030	0.6
151.03917	0.6
157.10098	0.6
159.04411	3.7
159.11761	0.5
161.05971	3.9
163.03923	1.6
173.06007	1.7
175.03915	100.0
176.04521	1.6
177.05467	23.2
187.03914	13.3
187.07565	1.9
189.05475	19.3
199.03883	0.6
201.05492	5.0
201.09129	1.2
203.03461	4.9
203.07056	1.8
203.10675	2.5
213.09135	0.8
215.07030	2.6
217.05029	1.7
217.08647	1.8
229.08623	3.4
231.10178	29.0
241.08607	1.6
243.10139	1.0
247.09668	1.0
259.09680	7.6
283.09753	1.0
284.10312	0.5
315.15952	20.0
315.19305	1.0
315.23355	1.2
315.26801	0.9
316.31943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.7
55.01867	20.3
55.05515	50.3
57.03436	31.6
59.04979	8.8
61.02921	13.6
67.05496	16.7
68.11178	4.6
69.03433	29.2
69.07066	24.4
69.73334	4.5
70.06583	13.0
70.19862	22.8
71.01357	9.1
71.05002	51.7
73.02917	21.9
79.05483	23.4
81.03408	10.6
81.07055	37.2
83.04984	7.5
84.08155	10.3
85.02914	71.0
86.09698	18.8
91.05492	42.5
93.07052	66.0
95.04945	16.7
95.08643	23.2
97.02905	29.1
97.06510	11.0
99.04443	6.2
103.03939	14.5
105.07023	67.5
107.04956	16.5
107.08607	72.6
109.02876	5.6
109.06527	38.7
109.10155	9.6
111.04455	5.0
111.08099	8.0
114.66977	4.3
115.03941	16.9
117.07022	20.6
119.04926	5.3
119.08586	73.5
121.06514	10.5
121.10153	15.7
123.04449	5.3
123.08073	29.5
123.11710	5.5
127.03862	9.1
128.06271	7.1
129.05525	7.2
129.07008	9.8
129.10265	8.0
130.07770	7.6
131.08589	35.2
133.04991	30.5
133.06499	10.1
133.10121	10.6
135.08049	8.3
135.11682	27.4
137.05963	10.2
137.09628	13.8
137.13261	5.1
143.08543	13.9
145.06450	6.5
145.10147	26.2
147.08041	42.0
147.11713	10.4
149.09628	12.0
149.13240	5.7
151.07504	6.9
151.11154	16.9
153.12770	25.2
157.10117	6.6
159.08037	11.0
159.11742	10.8
161.09589	12.3
163.11189	17.5
165.06998	5.2
165.12767	100.0
171.11653	6.8
173.09648	27.4
173.13217	8.3
175.07512	12.9
177.12764	23.7
187.11124	4.6
189.12723	15.1
191.10690	12.4
195.02907	22.5
201.12724	12.5
205.12401	4.5
207.13736	8.5
211.09650	5.3
219.13834	11.2
231.13815	11.1
243.13771	14.1
255.11261	18.0
261.14935	15.8
265.08588	5.8
269.27750	5.1
279.15897	21.2
297.16812	6.2
310.18625	4.9
315.13712	17.1
315.18024	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	315.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58503	4.4
53.03940	5.6
55.01878	23.5
55.05508	42.0
57.03443	32.9
57.07067	4.4
57.67996	5.7
59.04990	10.0
59.61853	4.8
61.02924	13.0
63.24132	4.4
66.66865	4.1
67.05494	11.1
69.03434	33.8
69.07079	23.6
69.56748	32.0
71.01377	11.8
71.04998	54.6
73.02924	19.4
73.73869	5.3
79.05485	29.8
81.03414	19.4
81.07062	30.7
85.02911	66.7
87.04517	5.1
91.05492	42.6
93.07048	54.4
95.04963	16.7
95.08601	21.8
97.02896	20.4
97.06534	11.5
99.04443	6.4
103.03960	13.4
105.07038	67.5
107.04977	9.1
107.08597	45.6
109.02882	7.4
109.06533	38.0
109.10149	7.8
111.08078	7.9
115.03944	19.4
116.06237	6.1
117.07036	16.9
119.08599	59.4
121.06474	8.0
121.10162	15.2
123.08091	28.2
125.13303	6.8
127.03883	6.9
128.06230	7.6
129.05504	8.9
129.06995	10.1
131.08572	33.1
132.58385	4.8
133.04973	35.2
133.06506	11.4
133.10109	8.3
135.08090	10.7
135.11670	27.2
137.09647	13.4
143.08554	14.6
145.06584	6.2
145.10132	34.4
147.08095	33.0
147.11705	10.0
149.09662	13.2
149.13368	5.0
151.07506	6.9
151.11191	17.8
153.12766	17.9
155.08542	7.4
159.08084	11.2
159.11696	12.0
160.61192	4.9
161.09602	5.6
161.13283	5.4
163.11194	18.7
165.12761	100.0
171.11806	6.3
173.09669	30.4
173.13199	9.1
175.11131	7.9
177.12775	20.8
183.11684	6.1
188.39081	5.1
189.12738	19.8
201.12729	8.1
207.13858	8.5
219.13850	15.6
231.13686	10.9
243.13927	6.7
261.14899	17.8
279.15964	15.7
297.16904	11.2
315.17950	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35102	4.6
53.03936	10.2
55.01882	24.9
55.05513	48.7
57.03447	37.5
59.04998	5.8
61.02930	20.6
63.72822	3.9
67.05501	14.2
67.72515	4.4
69.03436	39.8
69.07078	26.1
70.06585	12.4
70.88924	9.4
71.01363	5.8
71.05003	60.4
72.08167	9.2
73.02928	31.5
79.05495	25.1
81.03408	22.4
81.07056	40.2
82.02089	3.9
83.04967	10.4
83.08621	6.3
84.08146	13.9
85.02915	83.2
86.09712	10.0
87.04494	6.5
89.06053	4.3
90.19242	3.8
91.05483	44.2
93.07058	53.1
95.04955	26.1
95.08630	24.9
97.02885	30.4
97.06551	9.9
103.03928	11.6
105.07039	72.6
107.04944	18.7
107.08611	66.4
109.02888	4.7
109.06535	46.2
109.10167	23.2
111.04459	4.2
111.08081	9.1
115.03947	17.6
117.07034	16.0
119.04954	5.7
119.08598	65.5
121.02850	4.9
121.06535	14.6
121.10143	15.0
123.04427	5.3
123.08096	33.9
123.11736	4.6
125.05958	4.1
127.03906	12.9
128.06187	8.9
129.05499	9.0
129.06979	12.1
129.10252	7.2
130.07793	7.2
131.08580	29.3
133.04997	34.3
133.06494	17.0
133.10149	11.1
133.48296	4.5
135.08136	9.8
135.11702	30.7
137.05977	13.0
137.09660	14.1
143.08589	15.1
145.06502	6.7
145.10114	28.8
147.08055	30.2
147.11656	10.8
149.09625	18.1
151.07503	5.0
151.11157	12.4
153.12775	21.7
159.08075	13.3
159.11720	12.0
161.06001	4.5
161.09584	11.4
163.11206	18.4
165.07173	4.6
165.12773	100.0
171.08162	5.8
171.11639	11.5
173.09648	29.8
173.13268	9.3
175.07584	10.0
177.12708	27.9
179.14267	3.8
183.08058	4.4
183.11769	7.4
189.12848	21.9
191.10703	8.4
195.02924	12.0
195.08067	5.0
195.13812	9.9
201.12714	9.2
207.13811	13.0
219.13812	20.5
223.07588	7.8
231.13881	8.5
237.14935	5.5
243.13811	9.9
261.14868	21.7
267.96323	4.9
278.69376	4.0
279.15927	14.8
279.62747	4.8
297.17078	9.9
315.08746	5.1
315.12497	14.8
315.17902	8.8
318.13379	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	315.2684
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
55.05511	11.4
56.48579	2.3
57.07074	4.4
60.44157	2.1
67.05511	21.2
69.07079	12.3
69.47965	7.2
69.48389	8.6
73.39861	1.9
79.05518	12.5
81.07062	62.7
83.08601	9.5
85.06562	13.8
85.12665	2.2
86.70001	2.1
91.05484	12.2
93.07047	36.7
93.76152	1.8
95.08604	46.3
97.10160	4.9
99.08093	2.7
102.47099	1.8
103.38623	2.1
104.50728	2.0
105.07041	33.6
107.08597	29.0
109.09491	2.4
109.10168	30.1
111.08064	2.8
117.07015	3.1
119.08582	28.5
121.10145	22.5
123.11692	9.6
130.07796	3.0
131.08577	21.6
133.10149	13.5
135.11702	12.6
137.13261	5.3
142.16360	2.1
143.08531	5.3
144.09357	3.5
145.10123	43.2
147.11711	15.5
148.36125	2.1
149.13297	21.0
151.11232	2.4
155.19098	2.1
157.10117	8.1
159.11697	70.3
161.13297	14.1
163.14795	13.5
171.11588	3.4
173.13307	19.8
175.14832	12.9
177.16296	2.7
185.13261	5.5
187.14821	13.0
188.63252	2.9
189.16420	8.5
191.17912	2.5
199.14790	5.9
201.16405	12.9
203.17961	6.5
213.16365	9.5
215.17958	18.9
217.19580	7.5
219.17511	3.3
227.17833	4.4
241.19505	5.3
297.25781	31.5
315.26831	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.9
54.70057	0.6
55.01871	0.6
55.05518	6.3
55.92749	0.5
56.05036	1.7
57.03423	0.7
60.04529	5.8
60.05634	0.6
61.02927	0.9
62.02349	0.6
63.81514	0.5
63.98614	0.5
67.05537	0.8
68.05056	0.6
69.03432	3.4
69.07074	5.2
70.06596	22.0
71.50882	0.9
72.08159	85.8
79.05501	1.1
81.03432	2.3
81.07037	1.4
82.06578	1.6
84.04498	5.0
84.08150	7.2
85.02918	4.5
85.04016	0.6
86.09710	100.0
87.05606	3.2
91.05482	1.4
93.07053	0.6
94.06571	0.7
96.04427	0.6
96.08149	1.1
97.02905	2.1
107.04972	1.6
108.08121	8.7
109.02896	1.0
110.06030	1.3
110.07191	1.5
112.08743	0.6
116.07098	38.1
118.06544	1.6
118.08635	1.6
120.08116	1.0
122.06026	1.6
124.03912	1.4
124.07594	5.8
127.03865	1.1
128.10701	1.7
129.10217	2.6
130.06543	6.7
132.08124	3.6
136.07593	7.8
137.05968	1.7
137.07217	1.2
137.08360	6.6
138.09079	1.1
144.08084	1.4
144.10207	0.8
146.05998	4.1
152.05272	0.7
153.06570	0.7
154.08635	37.5
157.23108	0.7
159.09177	1.8
162.05493	1.8
163.03928	0.8
165.06590	0.7
166.08748	0.7
170.06354	13.4
171.14935	29.9
173.12868	18.4
188.07060	7.4
190.04962	1.3
197.30824	0.7
199.14427	13.8
199.18057	19.2
201.12384	4.5
203.13956	5.5
205.09731	2.7
217.15492	3.0
227.17532	7.3
266.08838	0.7
270.12381	3.2
280.11438	0.6
284.09769	0.6
298.11847	1.5
316.13373	2.4
317.06427	2.3
317.11758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2848
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05502	0.6
56.04792	0.7
56.05040	10.0
57.07077	15.2
58.06607	0.8
60.04517	1.4
66.23632	0.5
67.30659	0.4
69.48075	1.8
69.48488	1.4
70.06584	4.2
71.08633	5.8
72.01320	0.5
72.04521	1.4
72.08149	0.4
74.06082	27.3
79.05518	0.4
81.07047	0.7
85.10178	3.1
88.07635	65.2
102.05537	3.6
106.08681	7.1
116.07101	1.3
120.06572	4.3
136.65540	0.4
154.94362	0.5
161.46165	0.5
270.27927	20.7
298.27481	3.7
305.08536	0.5
316.28564	100.0
316.32175	27.9
317.28763	2.1
317.32132	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.6
56.96553	20.1
57.03423	10.9
61.02929	30.1
69.03443	24.2
69.03750	4.4
70.06577	11.3
70.92328	13.1
71.04982	4.6
72.08160	24.8
73.02890	6.5
84.04485	16.1
84.08151	100.0
84.96002	5.6
85.02921	33.4
86.09704	38.3
89.00885	5.8
95.01301	5.2
97.02892	18.7
98.97591	36.3
101.00906	31.4
107.03358	4.2
107.04947	4.8
109.02893	5.6
110.01234	5.5
110.97556	15.9
113.00859	20.3
115.08647	4.6
116.07117	5.0
116.98656	5.0
119.01919	34.1
120.03288	5.0
121.98960	4.9
127.03913	13.9
128.02312	9.9
128.98569	10.6
129.10245	72.7
130.04991	9.1
130.08598	5.8
131.01866	24.9
133.03436	7.0
143.01923	24.9
143.11781	12.2
144.99771	6.5
145.01743	6.1
145.03397	11.8
145.04996	6.4
145.55402	4.5
146.04980	11.2
146.99620	6.9
147.05023	8.7
147.07625	7.5
147.11375	7.5
155.01869	33.9
155.04613	7.2
158.99678	14.1
161.02994	16.2
167.69846	4.7
172.97632	5.2
173.02940	32.3
175.11853	6.5
176.71667	6.1
183.02298	6.0
185.02921	13.3
186.12349	5.3
189.06029	9.4
196.95050	8.6
197.02913	8.5
197.12909	6.2
201.00832	6.4
201.06203	5.7
203.04028	6.2
213.03362	16.5
215.00409	10.2
219.01779	11.3
220.04196	9.2
227.04155	7.7
227.06827	15.8
229.04713	8.0
236.07225	6.0
237.02847	9.9
245.05099	7.0
257.01263	8.2
259.07855	10.1
275.02615	6.3
287.10364	4.6
317.05875	37.8
317.11765	28.4
317.21729	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	317.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11832	0.2
58.97949	0.3
64.01314	0.2
65.03939	0.8
68.99796	0.3
69.69061	1.3
70.06577	0.3
72.08154	0.3
84.08149	0.3
85.02879	0.2
85.09709	0.2
92.02627	2.9
93.03417	2.6
95.00216	0.3
97.02876	0.4
97.31991	0.3
98.20840	0.4
101.34457	0.3
109.06496	0.3
111.00798	0.2
116.95551	0.2
121.02868	2.1
122.03649	0.3
125.05943	0.3
126.03121	1.1
126.33066	0.2
137.02277	0.6
139.03925	1.4
151.03934	1.6
152.01115	0.3
153.01836	16.8
155.04863	0.3
161.06006	0.3
165.01826	0.9
173.05978	0.6
177.05498	0.5
179.03474	0.3
183.02838	0.4
183.04430	0.3
192.04324	0.3
194.70415	0.3
200.04686	0.8
201.05524	1.4
203.03334	1.4
204.04164	0.3
211.03795	0.3
211.29301	0.3
217.04977	3.5
218.05777	1.3
219.02946	0.7
228.04179	3.7
229.04974	7.2
231.02887	0.9
236.03183	0.3
239.03464	0.3
243.06589	0.5
245.04465	3.5
246.05225	3.4
256.03610	0.6
257.04492	4.7
260.03140	0.9
261.07532	0.6
271.06064	0.4
273.03967	3.0
274.04742	7.1
284.03223	1.0
285.03940	7.8
286.04730	0.5
287.05502	0.5
288.06567	0.3
301.03452	0.5
302.04221	21.8
317.06573	100.0
318.06976	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.56445	0.1
55.29865	0.1
65.03945	0.7
67.01868	0.2
67.05507	0.2
68.99781	0.5
69.03417	0.1
70.06566	0.1
71.51277	0.1
79.05470	0.1
81.03403	0.1
81.07072	0.1
82.04184	0.1
82.17967	0.1
85.02895	0.2
92.02621	3.2
93.03410	3.1
94.04169	0.2
95.04951	0.2
95.08610	0.1
97.02901	0.1
97.06527	0.2
99.56273	0.1
101.06116	0.1
107.04938	0.1
108.02126	0.1
109.02868	0.2
109.06409	0.1
109.10165	0.2
109.48023	0.1
110.03650	0.1
111.00799	0.4
117.07001	0.1
120.02122	0.2
121.02873	2.2
122.03648	0.4
123.04431	0.1
124.01569	0.1
124.05251	0.1
126.03123	1.2
131.04915	0.1
133.02849	0.3
135.04434	0.2
136.01541	0.1
137.02339	0.6
137.05989	0.2
139.02876	0.1
139.03902	1.6
142.38873	0.1
143.04916	0.1
145.02913	0.1
145.06516	0.2
147.04399	0.1
149.02333	0.2
150.03133	0.2
151.03911	1.4
151.05011	0.2
152.01067	0.2
153.01830	17.8
154.02208	0.1
155.04913	0.2
155.10680	0.1
161.05983	0.1
163.03899	0.4
165.01845	1.2
166.02617	0.4
172.05193	0.2
173.05984	0.5
177.01764	0.1
177.05519	0.6
179.03400	0.3
183.02852	0.4
183.04396	0.4
187.03902	0.4
189.05461	0.3
190.02592	0.2
190.06226	0.2
191.03325	0.1
192.04132	0.2
199.03902	0.1
200.04668	0.9
201.05464	1.7
203.03398	1.7
204.04176	0.4
211.03865	0.2
217.04948	3.3
218.02240	0.1
218.05765	1.1
219.02898	0.6
228.04153	4.0
229.04956	7.8
230.05478	0.2
231.02905	1.2
232.03712	0.2
233.04335	0.2
239.03415	0.3
243.06442	0.2
245.04454	4.1
246.05246	3.5
247.02238	0.1
247.05469	0.1
256.03714	0.4
257.04453	4.8
258.05060	0.1
259.02444	0.1
260.03201	0.8
261.07553	0.4
271.06131	0.4
273.03928	3.5
274.04718	7.3
284.03177	1.0
285.03937	8.1
286.04565	0.3
287.01874	0.2
288.06207	0.3
299.05417	0.1
301.03442	0.6
302.04211	21.6
303.04507	0.3
317.06552	100.0
318.06946	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0659
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.05505	0.4
65.03909	0.7
68.99772	0.9
70.25870	0.3
70.60138	0.5
70.60489	0.9
81.07030	0.7
92.02626	3.1
93.03400	2.8
93.07063	0.6
95.01306	0.3
95.08620	0.7
105.07025	0.6
107.08585	0.3
108.63662	0.3
109.55612	0.3
119.08549	0.4
121.02878	2.7
122.03620	0.3
126.03138	1.4
132.12376	0.4
133.02945	0.3
133.04195	0.3
137.02345	0.6
137.05960	0.5
139.03937	1.8
145.10112	0.5
149.09760	0.3
151.03938	1.7
153.01837	15.8
155.04915	0.4
165.01849	1.4
166.02547	0.4
173.06023	0.5
183.02837	0.5
189.05478	0.5
200.04744	0.9
201.05490	1.1
203.03377	1.3
204.04263	0.5
217.04942	3.1
218.05757	1.3
219.02948	0.5
228.04198	3.3
229.05002	7.2
231.02907	1.2
245.04462	4.1
246.05260	2.5
256.03867	0.4
257.04453	5.8
260.03198	0.9
261.07428	0.4
271.06183	0.5
273.03967	3.5
274.04739	7.7
284.03137	1.3
285.03949	7.8
288.06290	0.4
301.03702	0.5
302.04233	19.2
317.06573	100.0
318.06894	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
56.27258	0.3
57.07080	2.8
58.06577	0.4
58.45514	0.2
62.69389	0.3
67.27325	0.3
70.06603	4.6
70.99685	0.7
71.08613	0.6
72.08116	0.4
81.03422	0.5
81.07045	0.6
88.07638	6.6
91.05495	0.4
95.04939	0.4
95.08625	0.4
102.09186	4.3
103.05472	0.7
105.07025	0.4
107.04948	0.5
107.08601	0.4
109.02857	0.9
115.05518	0.4
117.07018	0.4
117.61210	0.3
121.10079	0.4
128.06184	0.7
129.06987	0.8
131.04901	1.3
141.06972	1.2
144.05699	1.2
155.04907	0.8
155.06049	0.5
156.04561	0.3
156.05685	2.0
157.06424	0.6
159.08028	0.6
160.05266	0.4
168.05682	0.5
169.06483	0.4
171.08055	0.4
172.05150	1.0
185.05937	2.1
186.06752	1.2
187.07579	0.8
198.06779	1.2
199.07520	0.7
200.04695	5.6
211.03934	0.7
211.07623	0.8
213.05455	3.9
215.03406	9.2
215.06786	0.4
225.05548	0.6
226.06306	0.8
228.04187	3.3
240.07829	1.3
241.08621	10.1
243.06537	100.0
244.06879	1.2
255.10165	0.5
256.26358	13.3
285.07748	0.4
299.09137	1.1
300.28970	0.9
317.06824	0.6
317.10193	2.4
317.28198	0.6
318.30048	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	317.1234
Annotation	Taxicatin
Peak:m/z	Relative Intensity
51.11472	1.7
53.03946	4.9
55.01875	3.0
56.05028	3.3
57.03435	5.4
57.92144	1.5
59.94790	1.6
60.04528	4.6
61.02934	6.5
65.03944	5.7
67.05502	7.2
69.03429	4.7
69.07062	3.2
69.31454	1.5
70.06598	25.0
70.69004	4.6
71.06918	2.5
72.08154	6.1
74.21703	1.7
76.99824	1.7
79.05507	7.5
81.03413	3.5
81.07050	3.9
82.83039	1.7
84.04493	6.0
84.08150	26.0
85.02911	7.9
86.09716	17.8
87.10055	2.7
91.05479	15.9
93.03421	2.5
95.01339	2.1
95.04967	15.3
95.08591	2.1
97.02879	3.8
97.04027	1.9
97.06514	2.4
102.05552	2.3
105.03399	2.2
107.04971	19.0
109.02886	3.6
109.06533	13.5
110.03688	1.9
110.05993	2.5
110.07177	3.3
111.04441	3.6
116.07116	4.9
117.07450	2.5
119.04966	3.6
121.06496	3.4
123.04431	23.0
125.02363	5.8
125.06017	3.2
127.03936	3.7
127.07565	1.6
129.10245	14.4
130.06558	8.9
132.04485	4.3
133.02896	12.0
135.04471	8.5
137.05977	18.2
138.05510	2.0
139.03963	2.9
140.04698	100.0
141.05429	3.0
143.11940	2.1
147.04437	4.9
149.05937	4.8
151.03915	4.6
153.01822	4.3
153.05446	4.7
155.03410	2.1
155.07045	97.8
158.06020	6.0
161.03035	1.8
161.06032	2.0
163.03961	9.8
165.01863	2.1
165.05486	19.2
167.07083	3.0
171.06604	3.8
173.08080	4.0
173.12874	2.6
174.13191	2.4
179.07089	7.8
180.04237	10.1
181.04974	57.0
183.06468	2.1
185.07104	2.1
186.12326	1.7
192.04141	1.8
193.04988	21.7
195.06581	10.0
197.08090	7.3
201.12546	2.0
207.06560	26.4
210.05109	2.1
213.07597	2.9
225.07605	20.4
237.06589	4.4
243.08679	27.6
243.11128	2.9
257.08145	2.8
258.08801	5.4
264.76657	2.4
274.04794	2.1
282.08749	4.6
285.06369	2.2
300.09787	11.7
302.04309	5.4
309.48318	1.9
317.06625	28.1
317.10178	2.6
317.12396	4.4
317.22021	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	317.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.05500	1.1
57.03428	1.0
65.03942	1.4
66.92422	0.6
67.05492	1.4
68.99809	0.8
69.03423	1.7
69.07056	1.1
69.27003	5.1
70.06594	1.0
71.04992	3.8
73.02885	0.7
79.05489	1.3
81.03416	0.9
81.07064	6.0
83.04975	1.3
84.08131	0.8
85.02901	4.0
86.09703	0.7
91.05464	1.9
92.02631	2.9
93.03397	2.4
93.07047	2.0
95.04941	1.8
95.08607	4.1
98.21597	0.8
103.05471	0.7
105.07007	1.7
107.04962	17.2
107.08598	3.2
109.02831	1.2
109.06509	1.0
109.10184	1.2
113.05977	0.9
117.06998	1.0
119.08584	1.8
120.08147	1.1
121.02884	3.6
121.10118	1.1
121.15589	0.6
123.04436	0.9
123.08093	1.3
126.03087	1.4
131.04951	1.9
131.08537	1.0
133.10210	0.7
135.07991	0.6
135.11696	2.1
137.02304	0.9
137.06001	1.1
137.13272	6.0
139.03896	1.9
147.08061	1.4
147.11702	0.9
148.07628	1.0
149.06009	0.7
151.03909	2.1
153.01837	20.4
153.12762	2.6
157.10083	0.8
163.07542	2.3
165.01848	1.4
165.12819	0.8
171.11711	0.6
173.06033	0.7
175.11234	0.7
183.02963	0.8
193.04988	1.4
201.05472	1.7
203.03424	1.5
211.06070	2.3
217.05035	3.5
218.05739	1.1
219.02881	0.7
228.04160	3.2
229.04965	8.5
231.02768	1.2
245.04482	4.0
246.05260	2.9
256.03647	1.0
257.04422	5.1
273.03906	3.1
274.04733	7.9
281.17676	0.6
285.03961	7.3
299.09088	0.7
302.04233	24.8
317.06570	100.0
318.06921	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	317.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67266	1.6
55.05515	2.0
60.53616	1.9
69.70482	11.6
71.04998	13.3
74.37054	1.6
79.05484	5.4
81.07068	14.8
85.02909	7.1
87.26041	1.8
91.05477	1.8
92.02645	4.5
93.07066	11.1
95.08608	2.4
97.06536	2.3
98.20827	4.0
107.08585	8.4
109.10162	3.8
121.02876	3.1
135.11702	14.2
153.01837	15.5
153.12764	53.6
203.03339	2.0
209.49370	1.7
210.54222	2.4
217.05040	4.9
228.04317	3.1
229.04974	5.0
245.04460	4.0
246.05165	3.1
257.04529	6.8
260.75754	1.7
273.04001	5.0
274.04803	9.8
285.03986	5.7
302.04282	22.1
317.06586	100.0
318.06870	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01873	0.8
55.05508	1.0
57.03427	1.5
60.04512	1.7
61.02928	2.1
67.05509	1.1
69.03439	5.0
69.07052	1.5
70.06583	1.0
70.32546	1.1
70.32930	0.8
71.04975	0.4
72.08141	1.3
73.02919	0.9
79.05499	0.7
81.03439	2.1
81.07039	0.4
82.06563	1.0
83.08611	0.6
84.08130	0.8
85.02908	9.8
86.09713	5.1
87.04450	0.6
87.05573	1.0
91.03961	0.5
91.05478	0.7
93.07044	1.7
95.08618	2.1
96.04496	3.6
96.08134	2.4
97.02898	4.0
97.05273	1.5
97.06523	1.7
99.04397	0.4
100.07607	1.3
109.02861	1.0
109.06486	0.5
110.06055	6.9
110.09695	5.2
111.08125	1.0
120.08079	1.1
121.06510	6.1
125.08388	1.1
126.08321	0.7
126.09167	8.8
127.03914	1.6
128.10710	1.2
138.05508	1.3
138.09148	21.4
139.07535	1.8
145.04968	1.4
152.10762	0.5
156.10210	100.0
157.10547	1.3
159.11320	0.6
163.03854	0.5
168.10199	1.4
173.12875	6.4
180.10191	0.7
198.11238	0.8
201.12366	1.2
222.11258	0.4
250.28789	0.4
318.15424	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.01865	4.7
56.05023	3.4
57.03427	7.0
61.02926	10.2
62.18494	1.7
69.03435	22.4
69.07062	2.2
70.06595	82.7
71.04990	2.7
71.50232	2.1
72.08161	3.3
73.02921	3.7
74.06084	3.3
81.03420	9.5
84.04515	2.6
84.08155	15.7
85.02911	100.0
86.09709	11.8
87.04459	1.8
91.03973	5.0
91.05466	5.7
93.07034	6.1
95.04966	2.5
97.02896	24.9
99.04469	6.0
102.05557	2.6
102.41599	2.1
103.03919	1.9
103.05460	5.3
107.04947	3.0
109.02886	7.5
114.41609	2.0
115.08704	17.1
120.08122	21.3
121.06511	89.4
127.03925	23.1
129.10251	10.2
130.06529	8.2
130.08611	2.4
138.05496	15.6
141.04979	2.5
143.08211	4.3
145.04962	40.5
145.06471	4.0
147.11305	4.3
153.01973	2.1
156.04790	3.3
156.06459	4.5
156.10188	3.8
157.07729	3.0
158.05995	3.9
159.08043	3.4
159.09203	3.0
163.06052	6.0
175.08717	5.9
182.05305	2.7
185.05983	2.9
187.07574	13.7
191.11743	2.9
201.12410	3.1
203.08177	3.6
205.08574	11.5
217.08713	2.3
221.09236	8.5
226.15408	2.2
229.08641	5.2
235.09560	2.1
237.58894	2.0
244.16547	12.1
247.05750	2.5
247.09726	5.3
248.06303	2.5
261.07767	1.8
265.10699	3.4
275.05255	2.3
276.05817	10.3
290.07434	3.4
300.09885	2.1
318.06995	8.5
318.14471	7.0
318.29816	2.4
319.13437	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	318.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82728	3.8
56.05038	7.5
57.03426	6.9
61.02914	10.7
65.37266	3.3
69.03429	16.2
69.07072	4.1
70.06577	13.3
71.49848	3.4
72.08143	13.5
73.02908	5.8
76.09382	3.0
81.03416	10.1
84.04507	42.5
84.08144	12.6
85.02907	88.9
85.08474	4.2
86.09707	100.0
88.03989	11.0
91.05482	7.6
95.02962	3.3
96.04484	11.4
96.08183	3.5
97.02901	21.3
98.97594	6.2
99.04475	5.7
101.07175	3.9
102.05558	29.2
103.05507	5.4
107.04961	52.8
109.02871	6.6
114.05508	4.2
116.07020	5.1
121.06519	52.0
123.01994	3.2
124.03963	11.3
127.03922	17.5
129.10226	6.7
130.08632	7.1
132.10187	33.3
137.05901	5.0
138.05518	43.3
138.09180	6.4
141.06616	42.7
141.10258	5.2
145.04980	33.5
145.06111	4.7
156.06569	16.5
156.10216	14.4
159.07648	53.4
163.06024	5.1
173.12842	13.0
180.08720	8.8
183.11372	3.8
187.07185	45.1
189.12413	7.6
192.06870	4.1
193.24883	3.5
197.12840	6.3
201.12337	43.3
205.06834	3.4
205.08630	10.5
229.11868	6.9
231.87180	3.4
243.13316	4.9
247.12801	5.7
318.11523	5.2
318.29776	6.5
319.13593	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	318.1814
Annotation	Trp Leu
Peak:m/z	Relative Intensity
55.01864	0.6
56.96561	0.6
57.03437	0.5
61.58670	0.5
63.81272	0.5
69.07063	1.1
69.16863	2.5
69.17289	2.5
70.06587	1.4
71.04970	0.8
74.02448	6.3
83.04964	0.5
84.08139	1.7
85.02916	1.1
85.03992	0.6
86.09713	15.3
88.04037	0.5
91.05508	0.8
98.21461	1.1
105.07029	0.7
107.04943	1.6
112.07590	0.5
113.10789	0.9
115.05457	4.2
117.05769	4.8
117.07021	1.9
118.06554	1.6
120.08107	1.3
130.06540	26.1
130.08617	2.9
132.08104	57.4
141.10239	1.8
142.06532	9.6
143.07315	1.7
144.08098	44.8
146.06018	1.9
155.06026	0.6
158.08443	0.8
159.09193	100.0
160.07591	5.3
160.09599	0.7
170.06029	20.7
172.07571	1.1
174.40540	0.5
188.07076	4.7
205.09698	2.8
213.14040	0.5
255.14938	0.8
259.14313	0.7
272.17661	0.6
273.15952	2.7
301.15485	47.0
318.06992	2.1
318.14661	0.7
318.18118	3.3
318.21603	0.7
318.29810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1814
Annotation	Ile Trp
Peak:m/z	Relative Intensity
55.13589	0.6
56.05027	0.7
69.03411	1.0
69.06686	0.7
69.07067	13.8
70.06583	1.4
71.50598	0.7
72.08158	0.8
84.08136	1.2
86.09711	100.0
87.10051	1.1
109.02897	0.7
113.10760	1.1
118.06567	4.0
120.08128	2.5
130.06563	1.5
132.08080	1.4
135.97842	0.7
138.05502	1.3
141.10258	2.2
142.06551	0.7
144.08075	3.3
145.09735	1.3
146.04842	1.1
146.06012	19.3
146.07106	1.1
146.11812	0.8
153.01826	1.2
156.06540	0.9
159.09201	2.2
160.68736	0.7
170.06097	1.9
181.37361	0.6
186.17630	0.6
188.07069	37.9
205.09732	35.4
217.99605	0.6
303.04654	1.1
318.06934	6.4
318.18069	6.0
319.04620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1812
Annotation	H-ILE-TRP-OH
Peak:m/z	Relative Intensity
65.03945	1.0
65.79765	0.9
66.16067	0.9
69.07061	2.8
70.06607	1.3
70.77789	1.0
71.51029	1.6
74.02439	3.4
85.02895	1.2
85.38078	1.0
86.09711	100.0
86.49341	1.3
92.02641	1.1
113.10773	1.5
115.05430	2.1
117.05749	2.4
117.07062	2.1
118.06540	9.3
120.08128	1.9
130.06537	14.4
130.08659	2.3
132.08098	29.9
137.06009	1.6
138.05502	3.7
141.10194	5.5
142.06499	3.4
144.08098	25.9
146.06020	36.2
153.01862	5.5
154.02162	4.0
156.06555	1.8
158.08432	1.3
159.09184	49.3
160.07573	3.4
170.06023	11.7
178.93810	1.0
188.07077	76.9
196.03177	1.3
197.03343	1.5
198.03690	1.5
205.09749	52.4
218.05281	1.4
223.79202	1.0
227.15549	1.1
230.05330	3.9
246.04939	1.5
247.05426	1.2
258.04797	1.9
272.17532	1.4
273.15958	3.5
274.04526	1.4
275.05005	2.9
286.04364	3.6
301.15488	20.9
303.04617	9.7
318.06906	42.0
318.10541	2.2
318.18106	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	318.2025
Annotation	Ser Val Leu
Peak:m/z	Relative Intensity
55.05508	4.0
57.15009	0.5
60.04525	22.1
69.07056	0.5
70.02941	1.5
70.06585	2.0
71.51064	0.8
72.08157	64.8
75.61590	0.5
78.42676	0.5
84.08134	2.1
86.09709	26.9
86.57654	0.5
87.05594	16.6
94.06551	0.9
96.08131	1.8
98.09707	0.6
107.04999	0.5
108.15209	0.5
114.09174	17.6
118.08612	0.7
120.08093	0.9
122.13736	0.5
128.10704	2.0
129.10266	1.5
132.10193	5.5
138.05493	1.3
141.10223	0.6
142.08621	0.8
155.60750	0.6
156.06564	0.7
159.11298	100.0
160.11644	0.7
173.11353	0.8
173.12854	15.4
187.10793	29.3
201.12308	3.8
231.17122	1.8
264.51920	0.5
301.11844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.3003
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
52.85031	0.2
53.03941	0.3
55.05514	4.2
56.05037	7.1
57.03439	0.9
57.07080	4.2
58.02961	0.5
58.06601	0.3
60.04527	100.0
67.05507	3.7
68.05040	0.5
69.07070	4.8
69.07355	0.2
69.61937	1.2
70.06590	2.2
71.04993	0.5
71.08630	1.9
72.04513	1.2
74.06078	2.4
78.58844	0.2
78.98148	0.2
79.05489	2.4
81.07059	3.6
82.06590	0.7
83.04986	0.7
83.08620	3.1
83.93758	0.2
84.08131	0.3
85.10198	0.8
86.06085	1.0
88.07638	1.9
89.05024	0.2
90.05550	1.4
91.05508	0.5
93.07041	2.0
95.08613	3.9
96.08144	0.5
97.06556	0.3
97.10181	2.2
98.21481	0.4
100.07658	0.3
102.09158	1.2
107.08612	0.7
109.10178	1.4
111.11735	0.5
121.10175	0.9
123.11688	0.5
135.11702	0.5
163.02788	0.3
170.18973	0.3
252.26857	1.7
254.28476	0.8
256.26349	4.0
264.26917	2.3
265.25305	0.8
270.27939	2.7
282.27921	14.7
300.28976	17.5
301.29373	0.3
318.30029	42.7
319.30298	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19464	0.6
53.03930	0.8
55.89710	0.8
55.93519	1.4
56.94308	6.9
56.96561	3.3
65.43382	0.7
69.03423	3.3
70.06612	1.4
70.33604	2.8
70.95883	5.2
71.46806	0.7
71.93001	1.3
72.08155	5.6
72.93792	14.3
73.02917	0.9
74.95341	2.9
81.03422	1.0
82.95848	0.8
84.08121	2.2
85.02921	3.4
85.06533	0.8
86.09703	2.7
86.95341	4.3
87.10041	0.9
88.93220	0.7
88.96929	1.5
89.57987	0.7
89.94096	0.8
90.94820	6.0
91.05486	1.3
97.02898	2.9
98.97594	9.8
99.04493	0.9
102.94814	3.7
104.03104	0.8
104.96362	2.2
107.04949	7.9
109.40543	0.6
110.07154	2.0
110.97605	1.6
114.94765	4.1
116.96387	4.9
116.98595	1.7
118.94279	1.3
119.01919	0.9
120.95817	1.3
128.96378	2.5
128.98579	1.1
129.10188	1.7
130.94235	0.8
130.97931	1.4
132.95844	64.4
134.97409	2.5
140.96309	2.1
140.99963	1.2
144.95851	17.5
146.97365	2.6
147.04390	1.8
150.96898	11.1
156.99521	2.1
158.97420	20.6
158.99670	2.4
159.01019	1.3
160.95302	0.9
162.96912	4.7
168.95850	5.2
170.97421	1.0
174.96902	100.0
176.05212	1.3
176.98459	3.8
177.00763	1.1
186.96896	12.2
188.98422	1.5
192.97972	3.2
198.96896	2.1
199.00554	16.9
201.00688	1.1
202.96326	1.0
204.97960	2.1
208.04953	1.0
211.00565	10.2
216.97966	12.9
217.01495	1.7
219.01779	1.6
229.01588	1.0
234.99011	56.0
237.02882	1.0
241.01511	1.1
253.00095	4.3
259.02686	1.0
263.12216	0.8
301.03625	12.4
301.06683	0.9
319.04584	7.9
319.10117	1.1
319.13379	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	319.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96799	3.0
56.96563	7.0
61.02933	8.4
69.03431	9.2
69.45764	17.9
69.46184	7.2
70.06593	4.7
73.02903	4.8
82.99834	3.4
84.08147	5.0
85.02912	9.7
86.09740	3.3
97.02893	5.2
97.48471	3.4
98.97588	11.2
101.00893	17.3
110.07175	5.5
113.00908	3.5
119.01904	17.3
127.02408	3.6
127.03918	5.0
128.02368	4.7
131.01932	5.2
133.03506	5.7
143.01898	11.0
145.03459	6.6
155.01857	4.4
157.03574	4.2
158.99725	3.8
161.02956	8.9
172.97594	4.6
185.02928	4.5
189.02463	5.0
196.02217	3.3
199.00908	6.5
217.01962	12.9
221.04904	3.3
234.99017	4.9
245.05075	4.2
248.25053	3.5
301.08945	3.8
319.10410	100.0
319.13660	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	319.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19619	0.3
57.07078	1.2
58.87169	0.3
67.05512	0.3
69.03382	0.3
69.07062	0.3
70.06594	2.3
71.08612	0.5
88.07620	1.7
91.05500	1.6
98.75105	0.2
103.69972	0.3
105.07046	0.5
106.08665	0.3
107.04969	2.1
109.10155	0.4
114.09177	0.7
115.05456	0.4
116.06244	0.3
119.04954	1.1
121.06490	0.3
128.06223	0.6
129.06999	1.1
131.04930	0.3
131.08553	0.6
132.10211	2.9
133.10533	0.4
139.06770	0.2
140.17120	0.3
141.07065	0.3
144.05730	1.4
145.06490	0.8
146.07272	1.1
148.05177	0.3
150.11237	2.1
156.05797	0.3
157.06514	0.3
158.07310	2.4
158.94469	0.3
159.04378	0.4
159.08095	1.5
161.05974	0.7
161.09618	4.6
168.05682	0.4
171.08066	1.1
173.06027	0.4
174.06781	6.6
175.07614	1.4
179.08372	0.2
185.06021	0.4
186.06827	0.7
187.07550	2.4
188.08316	3.4
189.09109	15.9
197.06010	0.7
197.09540	0.3
199.07567	0.8
200.08257	0.7
201.09200	0.7
202.06258	2.8
212.08365	0.7
213.05496	0.7
213.09084	0.9
215.07071	0.3
215.10660	1.6
216.07796	1.2
217.08597	8.0
225.09143	1.0
228.07756	0.6
229.70212	0.3
230.09352	0.4
243.10197	4.9
245.08102	100.0
246.08437	1.1
257.07974	0.3
258.08936	0.7
273.11298	1.8
275.27951	0.3
287.09186	0.6
301.10736	0.8
318.30078	6.1
319.11768	7.8
319.30338	7.0
320.11789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1179
Annotation	Evofolin B
Peak:m/z	Relative Intensity
53.03937	1.0
55.01866	1.8
57.35225	0.7
58.39967	0.7
59.43097	0.7
65.03934	2.1
67.05493	2.6
68.99792	1.3
69.03429	1.2
69.07088	0.9
70.06598	1.5
71.04998	1.1
71.51375	1.5
79.05479	1.3
81.07055	1.7
83.04941	0.9
84.08152	1.4
85.02924	3.8
86.09719	1.2
89.03931	4.3
91.05487	24.1
93.07047	2.0
95.01333	2.3
95.05003	1.8
95.08565	0.9
97.02887	1.3
103.05502	0.8
105.07008	1.8
107.04961	1.8
107.08578	1.1
108.02106	3.6
109.02879	1.1
111.04513	0.9
113.02368	0.9
117.03362	2.5
121.06498	4.9
121.10168	0.9
122.03675	1.0
123.04445	1.6
127.03984	0.9
133.08498	0.7
134.03642	2.1
135.04486	1.1
137.06003	6.9
141.01846	3.3
141.05467	2.4
143.08603	0.8
145.08405	1.3
147.11813	0.8
149.05991	74.5
151.03920	83.1
151.05037	9.3
151.07555	2.5
153.05646	1.4
153.06992	7.3
159.09274	1.6
160.09572	1.4
161.05981	1.5
169.06483	1.0
170.07281	1.1
177.05484	100.0
181.06490	11.4
195.08084	1.2
198.06786	1.8
201.03934	3.5
205.12050	0.7
209.05975	3.2
213.09097	6.1
215.07068	1.1
223.07570	0.9
226.06337	1.7
241.08589	7.7
247.07503	0.9
268.07254	0.9
269.08075	3.0
270.63196	0.9
273.11218	15.9
283.09637	1.4
301.10626	8.9
302.15909	1.3
319.04480	1.0
319.12683	2.1
319.19025	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	27.1
56.96569	41.7
60.04535	34.9
69.89773	74.3
70.06586	45.4
71.06928	15.9
72.08141	34.7
74.06128	18.4
83.89229	13.5
84.04539	32.5
84.08154	70.9
85.02927	16.5
86.09727	46.9
98.21450	25.7
98.97589	26.8
99.09145	17.3
104.05344	35.5
105.73082	13.8
107.04956	100.0
107.45009	14.4
116.07104	18.7
129.10265	29.9
132.95889	19.6
146.06345	18.1
148.06064	27.6
158.97401	20.9
161.09222	18.4
186.57672	15.3
194.15646	14.3
227.29683	17.5
234.98985	21.8
279.01950	29.0
297.02728	25.5
321.03586	82.7
321.09882	23.0
321.14172	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	321.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.4
56.94300	4.5
56.96558	13.8
57.03409	2.3
59.92664	2.0
60.04506	7.0
61.02904	2.8
69.03400	2.3
70.06583	7.5
70.77910	2.1
70.86407	5.5
70.99858	3.4
72.08142	8.2
72.93778	7.4
82.99837	10.7
84.08146	13.7
85.01408	3.1
85.02892	4.9
85.08452	2.8
86.09709	5.1
91.02448	4.3
97.01373	6.6
97.02883	2.8
97.33084	2.1
97.99166	2.3
98.97590	29.1
101.00891	83.6
102.05546	2.3
102.94761	2.4
104.96378	5.2
110.97566	7.2
112.99132	6.5
113.00879	23.6
115.00682	2.2
115.02425	22.3
116.98609	6.2
119.01922	76.8
126.98804	2.7
127.02404	3.0
128.96413	2.2
128.98595	4.4
129.02214	5.3
129.03981	7.8
129.10223	6.3
130.10533	3.6
130.97893	2.5
131.01920	31.9
132.95848	26.4
133.03473	38.1
137.02979	4.6
140.98598	3.0
141.84662	2.4
143.00174	2.3
143.01900	18.9
144.99846	3.2
145.03474	6.6
146.97386	5.3
147.01442	2.8
147.05096	5.9
149.02972	6.4
150.96860	4.9
151.04480	2.2
155.01869	5.4
157.03444	6.1
158.93806	3.7
158.97450	2.6
158.99640	11.6
159.01392	5.0
159.03239	3.9
159.05009	4.5
160.98949	2.3
161.02950	15.9
168.99809	25.0
171.01381	10.8
171.05020	4.4
173.01534	4.2
173.02948	21.6
174.96947	3.3
174.99127	3.0
175.04585	3.3
177.00645	5.0
177.02344	4.4
177.04340	6.7
185.03015	4.7
187.00879	41.4
187.04482	3.5
189.02405	18.4
189.06050	4.6
191.04044	16.0
196.99313	17.2
199.00917	2.8
200.94853	4.0
201.00694	5.4
201.02429	11.7
201.04311	4.7
203.04008	5.3
205.01924	9.6
206.88176	2.2
214.20583	2.2
215.00394	48.8
218.95857	2.6
219.01772	12.6
219.03569	5.6
219.05345	2.7
219.07193	4.0
221.05125	7.4
227.04114	2.6
229.01945	40.3
230.95927	11.1
231.03476	7.3
233.01382	7.1
233.05066	35.9
234.98914	2.7
237.02782	7.0
247.03009	100.0
248.03358	3.0
249.04536	4.8
260.96774	2.8
261.08194	8.3
261.61990	3.2
265.03964	8.8
278.97943	5.4
279.06012	4.2
279.09274	12.5
289.04230	10.4
290.13016	8.3
298.64328	4.4
309.06689	2.2
320.65637	3.7
320.99252	2.4
321.06134	5.0
321.09390	13.1
321.11209	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	321.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15927	0.8
56.94307	1.6
56.96305	1.6
56.96566	22.1
57.03423	1.1
60.04510	3.0
61.02895	1.1
66.07832	0.8
69.03414	2.9
69.07047	3.6
70.06593	4.5
70.33283	3.0
70.95863	1.8
71.04971	1.0
71.95242	0.8
72.08136	1.6
72.93790	5.3
74.95323	1.2
81.03395	1.4
84.04485	1.1
84.08151	6.6
84.96042	10.9
85.02892	3.5
85.06519	1.6
86.09698	3.5
86.95273	1.0
90.94810	3.2
97.02879	1.6
97.96774	1.2
98.97588	100.0
99.04466	0.9
102.05518	1.1
102.94779	0.9
107.04916	1.6
110.07143	1.4
110.97569	28.4
112.08710	1.0
112.99162	4.0
115.08676	1.0
116.96386	1.1
116.98624	27.1
118.94272	0.8
124.99104	2.7
126.97060	1.4
127.03910	1.0
128.98618	16.5
129.10242	2.8
130.97859	1.1
131.00166	2.3
132.95857	7.2
134.99646	3.6
137.05995	1.1
140.96307	0.8
140.98599	6.3
141.02176	0.8
143.00168	9.6
144.95798	3.9
144.98053	3.3
145.19345	0.8
146.99687	4.7
150.96951	0.9
152.98593	12.7
155.00119	1.1
158.97441	12.3
158.99652	16.8
159.00943	1.6
159.03232	1.2
161.01279	4.7
162.42719	0.9
162.96902	1.8
162.99107	1.6
168.95815	1.3
170.97458	1.1
170.99672	12.0
174.13214	1.6
176.98451	2.6
177.00690	9.9
177.02089	3.0
182.99579	1.5
183.07980	1.0
186.96910	3.3
189.00740	3.9
189.04240	1.1
201.00623	4.4
201.04227	1.3
204.97833	0.8
206.24654	1.0
216.97937	6.9
219.01697	28.4
231.03131	2.9
231.05258	1.4
234.99013	36.6
237.02824	28.2
248.93579	2.0
253.00066	1.8
255.03444	2.7
260.24335	0.9
261.06479	12.9
279.07526	82.2
297.08588	7.7
303.05258	2.6
321.05563	3.3
321.08917	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	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	3.9
61.02942	2.4
62.99886	1.0
69.03436	1.3
69.57877	6.2
72.93798	2.5
79.26096	1.0
82.99851	1.5
83.63433	1.0
84.08150	1.9
85.01443	1.4
85.02937	3.5
90.94838	1.7
97.02924	1.8
98.97575	8.0
101.00885	16.2
101.01490	1.7
102.94828	1.3
103.85206	0.9
104.96406	1.8
110.97581	2.2
111.05548	2.2
113.00901	3.9
114.94885	1.2
115.02415	5.5
116.98627	1.4
119.01937	16.4
121.01734	1.1
123.05605	1.1
127.03949	2.3
130.71495	1.0
130.97946	2.0
131.01929	7.8
132.95845	10.7
133.03488	10.1
141.06635	3.9
143.01950	3.5
144.95868	1.7
145.01703	1.6
145.03491	3.4
146.97443	1.7
149.03036	1.5
150.96947	1.4
155.01941	4.0
157.03564	3.2
158.93808	1.7
158.99709	1.6
159.05048	1.3
159.06456	1.0
159.07729	3.7
161.02985	5.2
168.99829	6.0
170.99661	1.3
171.01434	1.9
171.05183	1.2
173.02968	8.3
174.96962	2.6
175.04572	3.1
177.00758	1.2
177.02411	1.1
177.06065	1.0
185.02948	1.1
187.00899	10.2
189.00824	1.1
189.02504	2.0
191.04071	3.2
196.99393	2.9
199.00912	1.2
200.94882	1.4
201.00752	1.8
201.02573	8.0
202.96550	1.0
205.01973	2.6
213.02521	1.6
215.00406	8.6
215.04106	1.1
219.01714	1.8
219.03546	9.6
219.07249	1.5
220.97560	1.5
221.05132	2.0
228.94359	1.3
229.01927	6.1
230.96022	3.7
231.03664	3.5
231.07220	2.2
233.05220	3.7
247.02994	14.6
249.04660	1.5
255.07397	1.1
260.96997	1.6
265.04126	2.5
278.98248	1.4
289.04074	2.5
321.11691	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18110	1.1
70.23809	1.4
70.99888	1.1
71.04588	2.1
71.04922	1.6
75.61228	1.2
79.51598	1.2
98.97628	2.3
101.00932	5.3
111.05601	1.6
119.01945	3.6
120.63472	1.2
131.01956	1.9
133.03453	2.4
140.96748	1.1
141.06682	2.7
157.08174	1.0
159.07675	1.8
161.02994	1.2
168.99974	1.4
187.01041	2.9
215.00519	2.2
219.01680	1.4
229.02061	2.1
233.05167	1.2
247.03200	3.4
321.11777	100.0
322.12390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1123
Annotation	Betulinan A
Peak:m/z	Relative Intensity
53.03941	0.4
54.11769	0.3
55.05505	0.4
55.49618	0.3
67.05495	0.7
69.03413	0.7
69.07059	0.3
69.47791	0.7
69.48204	1.2
77.11924	0.2
79.05494	0.5
81.03429	1.4
81.07058	1.6
84.08122	0.3
84.31799	0.3
88.63518	0.3
91.05476	0.8
93.07038	1.2
95.04946	0.4
95.08584	1.0
105.07029	1.2
107.04934	0.3
107.08597	1.1
109.02873	1.4
109.10130	0.8
119.08558	0.7
121.06505	0.3
121.10175	0.7
123.04378	0.3
123.11700	0.6
127.03903	0.8
129.06952	0.5
131.04924	0.6
133.10080	0.5
145.02870	0.4
145.06575	0.5
145.10095	0.5
147.04420	0.5
148.07898	0.3
149.05980	0.3
149.13260	0.3
159.04402	0.3
159.11700	0.4
161.05963	0.8
163.11246	0.3
177.05437	1.2
179.08571	0.9
189.06958	4.6
190.07822	3.4
191.08479	0.6
197.20422	0.3
200.06302	0.3
201.07031	2.5
201.08734	0.3
202.07780	2.4
202.77094	0.3
203.08607	1.8
205.06468	1.0
205.10078	0.4
206.07210	0.4
207.08052	4.8
215.08554	1.0
215.18117	0.3
217.06500	1.2
218.07288	16.4
219.08110	3.9
220.08704	0.4
221.06039	0.6
221.09682	0.5
222.06700	0.5
228.05714	0.5
229.04224	0.7
229.06482	10.6
230.07242	3.0
231.08060	2.1
232.08870	1.5
233.06006	0.4
233.09615	4.3
233.65305	0.3
234.06703	1.0
235.07542	11.4
236.08073	0.4
243.08003	0.6
244.08910	0.3
245.06012	3.4
245.09731	0.5
246.06770	22.4
247.07552	9.0
247.09540	0.2
248.08339	0.6
249.09145	1.9
250.06131	0.4
250.09937	2.8
257.05963	6.3
258.06747	4.3
259.07523	2.6
260.08362	2.3
261.09119	39.1
262.06284	0.8
262.09720	1.9
263.07050	12.9
264.07736	0.7
265.12228	0.4
271.07541	0.5
272.08249	0.3
273.05460	2.6
273.09030	1.1
274.06256	16.8
275.07013	9.1
275.10098	0.7
276.07608	0.5
277.05652	0.3
277.08594	7.5
278.09378	16.2
279.10010	0.9
280.96332	0.3
288.07895	1.4
289.08597	42.0
290.09348	11.4
291.06598	7.8
291.09970	1.1
292.11032	0.5
293.11728	3.3
303.10190	1.0
305.08173	2.4
306.08871	27.5
307.09430	0.5
321.11212	100.0
322.11600	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63194	0.5
53.18628	0.5
55.84514	0.5
56.94310	0.9
56.96566	1.3
57.03439	1.4
61.02932	2.3
70.99859	0.9
71.05080	1.3
72.93790	2.3
73.01397	0.8
73.02918	0.9
82.99831	3.1
85.02914	1.1
93.57100	0.5
94.99878	0.5
97.01416	1.3
98.97596	2.2
101.00889	20.7
102.00941	0.5
102.94762	0.6
103.00620	0.5
103.02452	1.4
104.96379	1.1
111.05589	1.1
113.00859	5.3
113.27024	0.5
115.02445	5.2
119.01929	18.8
121.01646	0.8
122.74496	0.4
123.05653	0.6
126.98759	0.9
127.02424	0.9
129.03989	1.7
130.97984	0.8
131.01924	7.8
132.95851	5.7
133.03473	9.3
135.03177	0.6
137.00906	0.6
137.02994	1.7
139.02394	0.8
141.06592	2.1
143.01915	4.5
144.95853	0.7
144.99826	1.1
145.03468	2.2
146.97499	0.9
147.05038	1.2
149.02966	1.7
150.96835	1.2
151.04549	1.1
155.01883	1.5
157.03487	2.9
159.05069	0.6
159.07660	1.2
160.09738	0.7
160.99042	0.7
161.02988	4.4
162.96951	0.8
167.01926	0.9
168.99857	6.0
171.01424	2.0
171.04985	0.7
173.02946	4.6
174.96931	1.7
175.04543	2.1
177.02437	1.1
177.06329	0.8
185.03003	1.2
187.00890	10.2
189.02428	4.1
191.04034	4.7
193.05608	1.0
196.99274	2.5
197.02985	1.1
199.00999	0.7
200.94899	0.9
201.00806	1.1
201.02475	5.1
202.96393	0.7
203.04019	1.7
205.01984	2.0
213.02505	1.0
215.00412	10.4
215.03819	0.5
218.03598	0.7
219.01665	0.6
219.03572	5.9
219.07127	1.1
221.05106	1.2
227.03958	1.1
229.01952	7.5
230.95975	1.6
231.03571	2.3
231.07193	0.9
232.97446	1.3
233.01439	1.2
233.05096	4.9
245.05153	1.0
247.03018	17.4
249.04610	0.8
260.96997	0.9
261.04520	2.0
265.04135	1.9
278.97937	0.8
279.05679	0.8
289.04184	4.8
307.05368	0.7
315.01886	0.6
321.11591	100.0
322.11932	1.2
344.74747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88624	0.3
56.88554	0.3
59.38803	0.3
69.50576	2.2
69.50984	0.5
82.79209	0.3
84.88638	0.3
98.21590	0.5
111.05571	0.4
119.05569	0.3
141.06593	0.7
156.17859	0.4
159.07579	0.4
181.61763	0.4
222.65054	0.4
321.11566	100.0
322.11890	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58011	1.0
54.86613	0.8
55.01885	0.8
65.47430	0.8
67.05499	1.0
69.03428	1.6
70.75622	2.2
79.05475	1.8
81.03415	3.0
81.07042	2.5
85.06586	0.7
86.09714	95.8
91.05482	1.6
93.07055	2.2
95.04990	0.9
95.08598	1.5
99.04453	1.3
103.05489	5.1
105.07019	2.6
107.04947	1.6
107.08585	2.4
109.02897	2.7
109.10169	1.4
117.03391	1.1
119.08607	1.0
120.08118	100.0
121.08417	1.0
121.10180	1.6
127.03941	1.4
128.10728	47.7
131.04927	1.8
133.10191	1.1
135.11707	0.8
137.09613	1.0
145.02850	1.9
149.05988	2.8
156.10219	12.1
158.07222	0.7
159.11722	1.2
166.08659	55.1
169.10014	0.9
177.05470	3.8
178.93036	0.9
188.41493	0.9
215.19359	0.8
218.07220	1.0
246.06712	1.2
261.09134	1.2
278.09393	1.0
289.08456	1.9
306.08746	0.9
321.11325	7.0
334.30270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1763
Annotation	Phe Val Gly
Peak:m/z	Relative Intensity
53.03947	0.5
53.56849	0.5
55.05514	6.7
57.05820	0.7
60.05659	0.4
70.06593	5.9
70.75177	1.2
72.08158	58.8
73.04313	0.5
73.08492	0.6
83.06123	0.5
84.04494	0.7
84.08157	2.5
86.09724	4.2
91.05500	1.0
93.07066	1.1
97.02846	0.4
103.05485	1.7
105.07136	0.5
110.07159	2.3
111.04336	0.5
112.08738	0.8
115.08663	1.0
116.07102	0.6
120.08109	100.0
121.08418	0.7
129.10245	1.9
141.59386	0.4
156.07614	0.7
160.07547	1.3
175.11917	1.3
219.14934	27.5
223.10789	18.5
223.12640	0.3
235.11922	0.9
247.14407	6.0
253.13080	0.5
274.11984	0.4
276.33957	0.4
322.13733	1.1
322.18448	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43397	0.4
50.65504	0.4
50.73418	0.4
52.36226	0.4
53.03959	0.5
55.05514	12.7
55.75890	0.4
56.05041	0.8
57.05807	1.2
60.05658	0.9
65.31506	0.4
70.06596	8.0
70.24463	1.9
70.97511	0.4
72.08158	100.0
73.08473	0.5
84.08161	3.2
86.09719	2.1
88.03997	0.8
91.05483	1.3
98.06126	0.4
103.05512	1.7
107.04971	0.8
110.07143	0.5
112.08774	0.7
115.08868	0.6
116.07096	0.6
120.08111	51.6
121.08435	0.6
129.10239	5.2
131.04945	1.3
137.05983	0.6
145.06572	0.8
146.06023	0.6
149.06024	0.7
157.09734	11.6
157.10941	0.8
160.07596	0.6
161.06044	1.2
166.08644	29.3
171.04514	1.4
175.11961	1.0
177.10240	6.0
205.09769	0.8
207.07703	0.6
223.10788	20.3
277.15521	1.3
283.96396	0.5
291.10135	0.7
322.18558	3.1
323.12683	1.6
325.72531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1875
Annotation	Arginylphenylalanine
Peak:m/z	Relative Intensity
51.19925	0.4
53.03955	0.6
54.61827	0.3
55.01857	0.6
56.05045	0.5
56.96569	3.3
57.03439	1.3
57.07085	0.6
59.72087	0.3
60.04541	0.4
60.05653	17.2
61.02928	1.1
67.05490	0.5
68.05032	0.7
69.03442	2.6
70.06597	100.0
70.98129	0.4
71.05010	2.1
71.06922	0.4
71.50169	0.6
72.08160	3.0
72.93787	0.5
73.02927	0.9
74.06081	0.6
80.36682	0.4
81.03421	1.1
84.04504	0.9
84.08153	1.9
84.96022	0.6
85.02910	6.2
85.07711	0.8
86.09697	1.0
88.07620	0.9
91.05483	2.9
95.06092	0.9
96.08121	0.5
97.02905	2.9
97.07645	2.2
98.06081	4.0
98.97598	7.4
99.04474	0.8
103.05489	1.3
104.05350	0.5
107.04959	3.0
109.02888	0.7
110.06047	1.0
110.07162	0.4
110.97606	1.4
111.50509	0.5
112.08732	13.1
112.09495	0.9
112.99205	0.4
115.08691	2.7
116.07103	5.6
116.98612	2.3
120.08114	12.9
127.00678	0.6
127.02473	0.5
127.03956	1.7
128.98599	1.0
129.10260	0.5
130.06534	0.7
130.09790	1.4
131.01839	0.4
131.04950	0.5
132.95822	1.0
132.98065	0.5
136.07646	0.8
137.05933	1.0
140.08199	1.4
142.03250	0.8
143.00204	0.6
143.01871	0.6
145.04922	0.8
146.99731	0.5
157.10881	3.1
157.82187	0.4
158.09259	3.5
158.97493	0.5
158.99666	3.1
160.04211	2.1
160.07619	3.4
160.09741	1.2
160.13367	0.5
161.04674	0.9
166.08662	1.0
170.99699	0.6
174.99217	0.4
175.04488	0.4
175.11914	19.3
176.98430	0.4
177.00746	1.3
178.97757	0.4
189.00662	0.8
190.09775	1.6
193.00058	0.5
199.12369	0.6
200.10741	0.9
201.00800	0.7
205.03639	0.5
205.10065	0.4
216.14973	0.4
219.01724	2.4
232.04228	0.4
232.06984	0.5
233.06770	1.1
234.98970	1.3
237.02892	0.9
242.07234	1.9
242.12926	1.3
245.12807	0.5
246.11296	1.6
259.15665	1.0
262.15475	2.1
263.00323	0.5
263.13892	4.8
271.06815	0.5
279.03879	0.5
287.14990	0.5
288.13425	1.1
301.07678	0.9
303.07581	0.5
305.16083	12.4
319.08862	0.7
321.08432	0.5
322.18762	66.8
323.02161	0.8
323.19052	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55357	1.1
55.05507	4.0
57.07066	1.6
62.06096	100.0
66.69395	1.1
67.05515	16.9
69.07057	5.4
70.06602	1.5
70.12698	5.2
79.05504	14.9
81.07074	15.9
83.08638	3.0
91.05499	7.2
93.07050	14.5
93.33668	1.1
94.26138	1.1
95.08620	11.4
97.10162	1.7
105.07030	5.2
107.08615	7.9
109.10162	4.9
119.08595	2.6
121.10150	5.2
123.11689	2.1
131.08557	1.6
133.10138	1.5
135.11708	3.0
137.05884	1.3
147.11656	1.6
149.13248	3.5
159.11729	1.9
161.05911	1.4
163.14900	2.2
261.22293	1.7
291.10144	2.9
305.24768	21.0
322.27542	14.7
323.12738	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	323.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96302	2.8
56.96569	44.4
57.03434	2.9
61.02930	11.6
64.01083	1.4
67.51163	1.5
69.03429	5.4
69.59225	10.4
70.97782	2.3
70.98125	23.2
71.95265	4.3
72.93806	2.7
72.96046	1.7
73.02912	4.2
74.97595	3.3
77.30170	1.8
84.08118	1.9
84.91173	3.5
84.96031	3.9
84.99604	1.6
85.02894	8.1
85.74422	1.6
86.79711	1.4
86.97590	4.6
88.99124	3.5
95.01333	3.6
97.02893	5.9
98.97591	100.0
101.00888	2.2
103.00626	6.4
110.97579	8.2
112.99093	3.6
113.00815	2.9
114.97063	15.8
115.00639	4.7
116.97835	2.0
116.98627	28.5
117.02176	2.6
119.01898	5.3
121.01655	5.3
124.23724	1.6
124.95498	11.2
124.96247	1.9
124.99131	2.2
126.00783	3.8
126.97044	3.3
127.03938	4.4
128.98621	13.5
131.00172	4.1
131.01857	2.6
132.95807	3.9
132.98100	18.0
133.01639	4.2
133.03386	2.1
134.99678	7.6
135.03198	2.9
139.33127	1.5
140.98624	3.5
141.01265	2.7
142.96516	6.6
143.00151	2.1
143.01884	5.1
144.98053	2.2
145.01666	6.8
146.99675	8.5
149.01208	2.9
150.01776	2.8
150.99171	8.3
152.94945	5.0
155.01930	3.1
156.98117	4.5
158.99631	7.8
160.97615	2.0
161.02936	5.7
163.02713	3.8
170.96053	17.9
170.99619	4.1
172.97574	3.9
173.01184	3.4
173.02989	3.2
174.99174	18.2
175.02792	2.1
177.00722	4.2
177.02219	1.7
178.99951	2.2
184.97534	9.9
188.97096	22.2
189.00674	10.8
191.02240	4.8
191.03920	2.0
193.00215	28.2
201.00706	1.9
202.98643	15.9
203.02193	6.5
203.04013	4.5
206.98106	4.6
207.01724	4.8
211.01642	6.5
212.97075	6.6
217.00258	9.4
219.01756	6.0
220.02345	1.7
220.99713	18.1
221.03294	4.3
230.98157	18.9
231.01740	2.5
234.98950	2.2
235.01190	4.1
237.02837	2.7
239.00729	6.8
240.94443	1.6
244.99673	16.6
248.99100	4.5
249.02885	4.5
263.00800	29.1
281.01855	18.1
281.04910	3.2
299.02853	5.1
305.01675	2.0
323.07101	8.1
323.10535	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	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71767	5.8
55.99612	5.6
70.01842	27.5
90.27587	5.8
96.97482	5.3
109.80917	5.8
141.38309	6.6
259.05301	6.0
315.95059	5.6
323.07465	100.0
323.11459	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	323.128
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
64.14182	0.9
67.05486	1.4
70.06565	1.0
70.56489	2.6
71.92458	0.8
79.05483	2.3
81.07055	1.8
91.05475	3.1
95.08617	1.2
98.20941	1.1
103.05466	2.5
105.07039	7.8
107.08582	1.1
109.06500	2.2
109.10157	1.0
115.05470	4.1
119.08619	0.9
122.03620	1.3
127.04059	0.9
131.04959	1.4
133.06485	7.2
134.03612	1.0
137.05984	19.7
146.03647	5.8
149.05978	1.3
154.99008	0.9
161.05995	72.2
162.06644	0.8
165.07068	1.1
167.04959	1.1
171.07928	1.4
175.07584	1.6
178.07819	1.3
184.05199	2.1
189.07036	1.6
191.08598	4.8
192.09343	3.6
199.07564	7.8
202.07774	18.5
203.08571	32.1
204.09401	1.6
205.06509	2.9
213.07144	1.3
215.08582	2.1
218.07310	1.0
219.08069	11.6
220.08836	11.7
221.09785	1.2
229.06438	0.9
230.07310	5.6
231.08070	49.2
232.08821	8.6
233.06027	1.5
233.09520	1.0
234.06699	1.0
235.11148	1.7
237.09164	1.8
243.07985	1.1
245.09631	1.7
247.07600	8.3
248.08334	26.5
249.09090	2.7
258.06845	4.1
259.07574	41.6
260.08350	27.8
261.08878	2.1
262.09891	2.4
263.10715	21.1
265.08630	2.9
273.09042	1.2
275.07040	4.4
276.07822	18.1
277.08591	6.4
290.09314	1.3
291.10172	100.0
292.10803	6.7
293.08102	5.9
295.10071	1.1
295.13361	2.7
308.10397	5.7
323.12799	75.6
323.27295	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1278
Annotation	4''-Deoxyterphenyllin
Peak:m/z	Relative Intensity
50.83194	1.5
55.01848	1.5
70.06580	1.6
71.05277	2.1
71.05580	1.8
79.05472	2.9
81.07082	2.0
87.08098	1.7
91.05460	3.1
95.04967	1.7
103.05463	2.3
105.07036	12.6
107.04944	6.9
109.06535	3.5
115.05443	5.8
117.06956	1.7
118.04194	1.8
122.03628	3.8
131.04883	2.1
133.06488	7.5
137.05992	50.6
139.54250	1.7
146.03662	10.1
149.05952	2.0
161.05992	87.8
167.04874	2.4
191.08565	3.8
192.09387	3.1
199.07542	13.5
202.07780	23.5
203.08566	36.8
204.09372	2.2
205.06569	3.7
219.08122	11.6
220.08781	11.6
221.09671	2.2
230.07272	4.2
231.08064	53.5
232.08846	9.2
233.06094	2.5
235.07611	2.6
235.11308	2.6
237.09261	1.9
247.07530	11.7
248.08348	24.3
249.08943	3.3
258.06842	3.1
259.07565	41.9
260.08356	17.8
261.08984	2.9
263.10666	28.7
265.08676	4.4
275.07074	3.8
276.07837	20.0
277.08575	6.2
280.10995	2.9
291.10175	87.5
292.10913	7.0
293.08167	10.3
295.09830	2.0
295.13071	2.9
308.10565	7.9
323.09402	5.9
323.12775	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.05520	5.7
57.07069	1.5
59.96019	0.5
67.05508	7.1
69.06792	0.5
69.07077	5.8
69.47870	0.9
69.48280	3.4
79.05495	4.2
81.07064	16.3
83.08617	2.8
91.05481	4.1
93.07056	8.7
95.08616	14.9
97.10164	2.3
105.07040	11.0
107.08603	13.3
109.09486	0.7
109.10165	10.3
115.33029	0.5
117.07026	1.4
119.08587	13.2
121.10155	8.7
123.11713	5.8
128.06236	0.7
129.06985	1.9
131.08595	5.2
132.34026	0.7
133.10139	7.4
135.11703	4.1
137.13254	1.6
142.07790	2.0
143.08578	5.7
144.09363	1.0
145.09056	0.8
145.10141	10.6
147.11705	6.6
149.13289	4.6
151.14883	0.5
155.08565	3.0
156.09322	1.9
157.10132	10.9
158.10928	0.9
159.11703	11.7
161.13272	7.1
163.14859	2.6
165.16469	0.6
167.08606	1.0
168.09340	0.7
169.10164	6.2
170.10957	0.7
171.11725	8.8
173.13272	10.0
175.14847	4.8
177.16417	1.2
181.10173	0.8
182.10934	0.9
183.11731	6.3
184.12422	0.9
185.13280	6.8
187.14822	5.3
189.16359	1.5
191.17944	0.6
195.11781	1.3
196.12514	1.6
197.13257	6.9
198.13913	0.6
199.14818	8.7
201.16406	5.2
203.18004	1.2
209.13237	1.6
211.14825	7.5
212.15596	1.0
213.16397	14.2
215.17953	5.5
223.14798	0.9
224.15732	0.9
225.16437	5.6
226.16795	0.8
227.17982	9.3
229.19614	2.7
237.16418	0.9
239.17957	6.3
241.19522	3.7
251.18126	0.6
253.19556	10.2
254.20212	0.8
255.21103	1.3
265.19479	0.7
267.21088	11.8
268.21823	0.7
281.22647	5.7
291.10196	0.6
295.24228	1.5
323.27356	100.0
324.27707	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01880	0.6
55.05508	1.9
63.57843	0.5
67.05503	3.8
69.07072	9.5
69.41690	1.7
69.42113	1.6
72.50533	0.4
79.03531	0.4
79.05505	4.2
81.07060	7.5
83.04987	3.0
83.88347	0.4
86.09711	100.0
91.05489	9.8
93.07049	12.1
95.04973	3.1
95.08591	2.3
97.06527	0.7
98.20916	1.2
98.21491	0.9
105.07037	15.2
107.08596	3.0
109.06517	9.1
109.10172	1.6
111.08073	2.1
118.08260	0.4
119.08588	4.2
119.97476	0.4
121.10143	1.1
123.08068	0.9
125.75343	0.5
128.10741	4.8
129.07031	0.6
131.08556	3.5
132.10210	28.7
133.06519	1.4
133.10139	19.0
137.06013	0.6
145.10132	0.5
146.69601	0.4
147.08023	0.8
147.11699	11.2
149.09656	1.4
149.13304	1.1
151.07619	3.5
151.11192	39.4
156.10217	1.1
157.10239	0.5
165.12793	1.9
167.14316	0.8
175.11212	3.8
193.12238	4.2
210.14919	1.1
222.14946	0.6
233.51399	0.5
242.34499	0.5
260.20105	6.4
278.21167	27.3
296.75369	0.5
306.20639	5.1
314.36420	0.4
324.21722	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	325.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69099	13.9
51.21938	12.5
52.24432	12.7
56.96556	26.7
57.03418	23.8
61.02916	44.3
69.03423	42.6
71.20383	26.1
71.20987	13.2
73.02897	15.0
83.65818	12.8
85.02905	73.4
86.90937	24.7
97.02883	35.4
98.97610	52.2
107.04980	20.7
119.01841	14.4
127.03914	34.6
145.01732	14.3
145.04945	21.1
145.07616	57.5
154.04738	41.5
159.70827	15.6
163.02806	17.0
163.04425	43.2
163.08731	33.7
202.59711	15.5
205.05672	15.2
213.03455	26.2
235.06573	30.3
244.07185	22.8
252.13197	14.5
307.08643	33.9
308.08957	12.9
325.08804	100.0
325.13806	46.9
341.05719	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	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03934	1.8
57.03424	1.2
61.02913	1.4
65.03935	0.5
69.03434	6.7
69.29066	2.7
69.29484	1.4
77.03943	0.5
79.05491	1.2
81.03415	1.1
85.02907	2.6
88.81689	0.4
89.35352	0.4
92.02631	0.5
95.04939	0.7
97.02880	1.4
103.05396	0.4
103.17681	0.4
105.03403	0.8
105.04536	0.5
108.27070	0.4
109.02843	0.4
121.02876	1.8
127.03946	3.5
131.04922	1.5
133.02861	6.5
135.04419	6.3
145.04961	0.8
145.06474	0.6
149.02351	23.5
159.04410	1.5
163.03914	100.0
164.04242	0.9
178.05911	0.4
179.03329	0.6
181.04964	2.2
181.14203	0.4
187.03891	0.7
189.01892	0.5
215.03395	2.2
244.17291	0.5
267.06641	0.7
268.07339	0.9
296.06937	0.5
297.04224	0.4
297.07309	0.8
325.07086	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	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.8
55.01869	2.6
57.03438	1.9
60.04473	0.5
61.02926	0.5
61.36040	0.4
69.03436	16.6
69.50823	3.2
70.06598	0.6
71.01367	1.2
71.05001	5.3
73.02930	0.9
79.05488	0.5
81.03428	16.8
84.08097	0.6
85.02913	1.6
91.05486	3.7
99.04462	6.5
111.04498	0.6
117.05494	1.9
118.06559	5.7
119.08540	0.4
127.03904	0.5
132.95868	0.6
133.02814	0.5
135.04420	1.0
137.05991	0.7
144.95897	0.6
145.06561	0.9
145.07611	6.7
147.09172	8.2
149.02371	1.9
149.09630	0.7
161.05876	0.6
162.07921	1.4
163.03906	11.0
163.08673	1.2
163.11154	0.5
173.05714	0.9
173.07127	11.9
175.08714	5.5
175.11154	0.6
191.08167	100.0
193.12357	0.5
205.09708	0.8
233.09186	1.3
234.99016	1.1
241.60225	0.5
243.11398	0.7
245.09198	0.6
289.11752	1.8
295.49390	0.6
307.12900	31.8
325.03586	1.2
325.10162	1.0
325.13913	21.5
335.39478	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
54.39546	0.4
55.01866	2.2
57.03444	3.1
61.02919	1.0
65.54213	0.5
69.03434	16.6
71.01334	1.4
71.02173	1.3
71.04996	5.3
73.02901	0.5
75.04479	0.8
81.03423	15.7
85.02917	0.9
91.05482	1.7
98.24579	0.5
99.04466	7.4
117.05508	2.1
118.06527	5.8
121.10120	0.6
127.03973	0.7
133.02911	0.6
137.05978	1.0
145.07614	6.7
147.09175	8.0
149.02357	2.2
162.07910	1.1
163.03906	12.3
163.08702	1.4
173.07124	11.1
175.08702	6.6
181.04887	0.6
183.78787	0.5
187.08679	0.6
191.08163	100.0
192.08501	0.6
221.34840	0.5
233.09288	1.0
289.11847	1.4
296.33456	0.6
299.22250	0.6
307.12885	29.5
308.76880	0.5
325.03662	1.0
325.13928	21.6
328.69513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1436
Annotation	Glabridin
Peak:m/z	Relative Intensity
57.18242	1.0
69.03434	2.0
70.31342	2.7
79.05504	2.2
85.02917	1.2
89.03899	1.4
91.05483	12.5
94.04166	1.8
103.05470	8.5
105.07034	2.7
107.04945	3.6
115.05473	9.9
117.07001	7.0
119.04907	1.7
119.08607	5.6
122.03670	6.7
128.06201	3.7
129.07025	8.6
131.04942	17.5
132.05681	7.1
133.02858	10.7
135.08008	1.6
137.05986	95.3
138.06357	1.3
141.07011	14.0
145.06468	2.7
147.08046	28.1
150.06740	1.3
157.06487	3.1
158.07289	2.2
160.05215	4.2
161.06030	9.1
163.03906	4.7
163.07536	20.3
165.05598	1.3
169.06490	23.3
173.06067	1.2
173.09639	1.3
174.06732	1.5
175.07559	100.0
186.06743	3.7
187.07550	3.5
189.09096	11.6
194.07271	1.7
201.05444	2.2
201.09114	9.4
203.08589	1.1
205.06432	2.7
205.10149	2.2
218.07310	1.3
233.05988	2.5
233.09534	4.2
237.08929	1.7
261.08920	3.6
265.08624	2.2
265.12222	3.1
273.66907	1.1
293.08102	2.5
293.11420	4.5
295.09460	1.4
307.09518	1.8
325.10709	5.0
325.14301	62.4
326.14648	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.15651	1.3
53.03943	2.1
55.01864	3.4
55.05516	51.0
57.03444	23.3
57.07080	18.9
59.05005	1.0
67.05509	33.2
69.07076	62.5
70.06609	1.7
71.04990	2.4
71.08638	10.6
71.25003	1.7
79.05502	14.0
81.03401	1.5
81.07065	39.5
83.04972	2.2
83.08622	36.3
85.06553	2.5
85.10203	3.4
87.08093	1.4
91.05499	5.1
93.07049	20.8
95.08615	36.6
97.06538	7.5
97.10181	22.6
104.14577	1.1
105.07047	2.5
105.40196	1.2
107.08610	13.4
109.10170	15.1
111.08087	5.9
111.11730	8.1
115.08697	3.3
119.08587	1.8
121.09312	2.1
121.10157	19.0
123.11684	6.0
125.09631	1.8
127.11163	1.5
129.05495	1.3
133.10193	2.0
135.11711	15.7
137.13286	4.8
139.11201	3.2
146.72125	1.1
149.13287	8.2
151.14870	2.3
161.13222	1.9
163.14851	3.0
174.04330	1.3
177.16399	2.0
199.14793	1.3
233.22723	6.0
238.86192	1.2
251.23744	11.2
325.27448	100.0
326.27710	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05523	4.8
57.07061	2.4
67.05512	8.8
69.07075	9.2
70.06757	2.3
77.81454	0.7
79.05492	6.3
81.07059	23.3
83.08615	4.4
87.09424	0.8
91.05485	6.2
93.06491	1.2
93.07048	14.3
95.08613	22.4
97.10162	2.4
105.07041	12.8
107.08598	17.7
107.44528	0.7
109.10165	21.2
111.11736	0.8
117.07017	1.2
119.08585	14.4
121.10148	17.3
123.11715	16.6
129.06982	1.0
130.07852	0.8
131.08560	6.7
133.10139	15.7
135.11697	13.2
137.13229	5.1
143.08569	2.7
145.10121	11.0
147.11697	10.3
149.13234	5.1
151.00026	0.8
157.10136	4.0
158.10954	1.7
159.11696	10.5
161.13269	7.9
163.14857	6.3
171.11684	3.2
172.12515	1.1
173.13257	9.3
175.14813	8.2
177.16394	2.8
185.13246	3.0
187.14844	11.3
189.16388	8.0
190.16624	0.9
191.17947	3.0
199.14882	2.1
201.16377	10.3
203.17987	5.8
205.19398	0.9
213.16393	2.3
215.17978	8.9
217.19586	2.4
227.17839	3.6
229.19550	6.9
231.21053	1.3
241.19449	5.1
243.21144	2.2
255.21095	6.4
257.22491	1.1
269.22717	5.4
283.24249	1.1
325.28912	100.0
326.29288	2.6
335.92926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05515	12.2
57.03434	1.0
57.07080	4.8
65.03935	0.9
67.05183	1.4
67.05509	17.3
69.07072	13.2
70.23698	1.8
70.24084	1.6
71.04994	1.0
71.08622	2.0
71.13214	0.8
79.05495	10.5
81.07062	43.0
83.08630	5.3
88.07623	5.4
91.05476	8.8
93.06490	1.2
93.07050	21.8
95.08612	41.1
97.06455	0.9
97.10165	5.6
105.07036	20.3
107.08604	23.8
109.06530	0.8
109.10162	30.5
111.11729	2.1
117.07005	3.2
119.08586	23.3
121.10146	24.0
123.08090	1.0
123.11719	19.6
129.07004	1.6
130.07722	0.9
131.08554	10.1
133.10135	17.7
135.11711	14.0
137.13266	3.6
143.08517	4.1
144.09340	1.6
145.10136	18.1
147.11687	14.5
149.13258	13.2
151.14874	1.0
156.09303	1.9
157.10150	5.5
158.10864	1.1
159.11702	19.2
160.12064	1.0
161.13269	12.7
163.14821	8.7
169.10115	1.0
171.11681	6.2
172.12468	1.4
173.13274	14.1
175.14838	14.3
177.16389	5.1
183.11559	1.0
185.13248	5.1
187.14825	13.5
189.16382	7.5
191.17941	2.3
195.11674	0.9
197.13266	1.2
199.14798	6.1
201.16391	13.8
203.17961	6.8
213.16348	4.0
215.17941	12.0
217.19533	3.7
223.14680	0.9
227.17940	2.8
229.19527	9.1
231.21100	1.1
241.19562	5.0
243.21141	2.9
255.21042	7.5
269.22650	7.1
270.23108	0.9
283.24222	2.2
325.25595	4.1
325.28909	100.0
326.30185	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	326.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.4
65.72317	0.8
69.03433	1.1
70.02949	1.5
71.49595	1.4
79.91786	0.8
85.02918	1.1
89.54423	0.8
96.00933	0.8
97.02919	6.9
98.97598	10.6
98.98483	1.3
101.00893	9.5
103.00635	2.1
113.03520	7.4
116.98631	5.8
119.01933	18.4
120.02010	2.4
120.97980	1.2
121.01693	3.9
126.05632	0.8
134.99744	1.8
137.02985	2.7
140.98799	1.2
142.03499	4.1
158.99892	3.3
177.00972	15.3
178.01089	3.3
179.00774	3.4
181.00620	1.5
199.98056	1.3
201.00998	2.9
203.00674	1.1
205.00533	1.1
216.98929	1.7
217.04146	1.9
217.99063	4.6
218.98801	1.0
219.02042	20.1
219.03624	0.7
220.02202	2.7
221.01761	8.8
222.01877	2.0
223.01523	9.0
225.01006	1.3
235.96840	0.8
236.00110	4.4
238.95628	2.8
239.95647	1.9
240.95389	2.4
241.99033	8.2
242.99313	1.4
243.01978	13.2
243.04256	1.0
256.96661	12.7
257.96594	3.7
258.96490	8.0
258.99966	2.9
259.96899	1.9
260.00122	16.7
261.03085	100.0
262.00620	1.0
262.03238	6.1
263.03088	2.9
264.03275	1.1
272.94766	1.5
273.94849	1.2
274.94601	1.4
274.97839	2.6
275.44376	0.9
275.94968	1.5
275.97818	1.3
276.92010	2.2
276.97458	1.4
277.00916	1.4
278.01172	3.9
279.98282	2.0
282.99957	5.3
284.00128	43.8
284.04987	2.2
284.99884	7.7
285.99954	1.4
287.27399	1.0
293.27682	0.9
300.92154	1.0
301.01154	3.5
302.01187	38.9
302.45709	3.2
302.97128	6.0
303.00940	6.0
303.04004	1.6
304.01184	1.3
308.93057	3.2
308.98453	1.2
309.43164	1.1
309.92639	2.3
310.96057	2.6
311.42535	1.5
311.46042	16.6
311.96048	16.0
312.46127	5.3
314.95670	1.0
317.93420	3.5
318.43237	4.7
318.93347	2.9
320.43643	3.3
320.46664	3.0
320.93466	1.3
320.96725	2.2
321.46866	1.0
322.96738	2.2
323.97067	1.1
325.03076	1.1
326.01389	4.5
329.44226	3.3
329.94269	2.1
337.92175	1.2
344.02261	12.4
345.01874	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89053	5.3
53.03949	7.4
56.96573	9.4
57.03433	10.1
58.89157	4.8
61.02922	9.4
61.34355	6.0
63.33112	5.8
69.03429	14.1
69.16261	5.3
70.34839	9.8
70.35191	14.1
73.02935	6.5
81.03424	8.5
85.02900	26.7
97.02896	15.4
98.97604	25.1
98.98465	51.0
107.04955	35.2
108.05301	8.2
110.97574	13.8
112.89619	5.3
119.01962	6.4
127.03917	19.0
151.63315	6.0
177.00734	5.9
182.99591	7.3
185.02895	10.1
187.00900	7.8
219.01839	13.6
221.56500	5.8
237.02864	8.9
237.05193	7.2
245.05127	8.5
246.05730	14.8
262.92313	5.2
327.04675	100.0
327.10480	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	327.1594
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
53.03937	0.5
55.01881	1.0
55.05512	0.6
66.04725	0.6
67.05499	0.8
69.03436	0.6
70.06599	0.8
71.04978	1.1
71.35088	0.6
71.35435	0.6
71.62918	0.5
79.05508	2.1
81.03413	1.0
81.07071	2.7
85.02911	0.8
88.36703	0.5
91.05494	5.2
93.07053	1.5
94.04177	2.8
95.04965	1.2
95.08613	0.7
98.98474	89.1
103.05477	16.2
105.06395	1.1
105.07040	9.3
107.04980	2.8
107.08578	0.6
109.06529	3.3
109.10146	0.7
115.05470	1.9
116.99523	1.7
117.07025	2.2
119.04953	1.3
119.08596	1.0
121.06515	6.0
122.03658	7.7
123.08044	1.2
123.11681	0.5
128.06238	0.5
129.07013	0.5
131.04936	21.1
133.06502	34.4
135.07123	1.0
135.08066	11.6
136.05176	1.3
137.05988	100.0
138.06332	0.9
143.04907	1.4
143.08563	1.3
145.06483	7.9
147.04427	0.8
147.08061	2.0
147.11647	0.5
149.05995	1.8
151.03909	2.0
151.07549	10.6
154.79547	0.5
157.06508	2.6
157.10115	0.6
160.05241	1.1
161.05995	2.1
162.06769	0.9
163.07556	49.7
165.06969	0.7
171.08008	1.3
174.99242	11.1
175.07594	3.3
177.09116	1.0
178.07809	0.7
179.08533	1.3
180.18942	0.5
187.07520	1.8
189.07173	0.7
189.09119	1.8
194.07350	0.6
195.08115	0.8
202.07750	0.8
203.10652	2.1
206.07350	0.8
207.07994	1.4
220.08717	0.9
223.07584	0.9
225.09009	0.7
234.06732	1.3
235.07552	1.8
235.11171	2.3
245.09598	1.4
249.09102	1.9
250.99954	1.3
252.07742	0.8
262.06320	0.6
263.07169	0.7
263.10651	4.3
263.27975	0.5
267.10205	1.7
277.08624	4.3
281.08084	1.0
283.09714	0.6
295.09683	3.1
295.13278	8.6
296.10345	0.9
299.12744	1.0
309.11252	1.2
312.10065	0.9
312.13501	0.8
327.08493	0.8
327.12173	6.9
327.15912	7.9
327.19479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1594
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
55.01871	1.1
55.05517	0.6
57.03447	0.5
64.68190	0.4
65.03934	0.6
67.05505	1.5
69.07051	1.1
69.50756	1.1
69.51171	2.5
77.01613	0.6
77.03954	0.6
79.05504	3.5
81.07043	2.8
83.08614	0.6
87.07828	0.4
91.05480	5.1
93.07049	1.6
94.04193	2.1
95.04983	1.3
95.08629	2.4
98.98470	100.0
103.05468	15.6
105.07039	8.8
107.04951	4.0
107.08624	1.3
109.06509	2.2
109.10168	1.2
115.05467	1.7
116.99512	1.5
117.07041	2.6
119.04932	1.6
119.08593	1.2
120.05711	0.6
121.06520	5.4
121.10153	0.6
122.03663	5.1
123.04449	0.6
123.08082	1.3
123.11775	0.7
124.71387	0.5
128.06207	0.8
129.07030	1.4
131.04938	19.1
131.08513	0.7
133.06496	26.8
133.10150	0.6
135.08055	8.9
135.11678	0.6
136.05197	0.8
137.05983	80.6
138.06316	0.9
141.06979	0.6
141.16295	0.5
143.04918	0.9
143.08585	0.8
144.05659	0.8
145.06496	6.8
145.10156	0.5
147.04414	0.8
147.08057	2.1
149.06004	1.8
151.03964	0.5
151.07564	9.3
155.06010	0.6
155.08537	0.6
157.06531	3.3
159.08159	0.4
159.11635	0.6
161.05995	1.0
162.06848	0.6
163.07553	43.2
167.08679	0.5
171.08020	1.3
174.06717	0.5
174.99237	9.6
175.07602	3.0
177.09154	1.1
179.08664	0.6
187.07588	1.3
189.09106	1.4
202.07762	0.5
203.10661	1.4
207.08121	0.8
207.11615	0.5
219.07970	0.7
220.08833	0.8
234.06644	0.5
235.07507	0.7
235.11203	2.7
239.17863	0.5
245.09645	1.4
247.07373	0.5
248.08327	0.9
251.00056	1.2
263.10727	2.2
267.10062	0.6
277.08563	0.6
295.09738	1.2
295.13257	7.7
301.00311	0.5
327.08398	0.8
327.12189	2.3
327.15900	6.1
327.19733	1.3
327.23288	0.9
327.26941	0.7
346.72815	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.8
51.02391	1.5
53.03950	6.1
55.01866	0.9
55.05510	2.9
57.07079	1.8
65.03920	0.7
67.05506	6.4
69.07069	2.7
69.23629	6.0
71.04976	1.0
76.64326	0.6
77.01569	0.7
77.03931	1.7
78.51762	0.6
79.05494	4.1
80.00147	0.6
81.03418	1.1
81.07067	6.9
83.08624	2.0
85.06551	1.0
91.05492	9.1
93.07045	15.9
95.04972	21.1
95.08620	9.8
97.06554	3.2
98.98472	100.0
105.04515	3.4
105.07028	10.9
107.08599	8.4
109.06519	2.0
109.10165	5.4
115.05453	0.8
116.99512	0.8
117.07035	4.4
119.08591	11.9
121.06506	2.5
121.10157	4.6
123.08070	2.2
123.11756	1.5
128.06209	1.5
129.07025	2.4
130.07832	1.5
131.08519	4.5
133.10135	9.3
135.08086	1.9
135.11694	2.2
137.09647	0.9
141.07005	1.2
142.07808	2.8
143.08545	4.7
144.09344	0.9
145.06465	1.0
145.10133	9.0
147.08133	0.7
147.11690	3.0
152.06215	13.1
153.07016	9.0
155.08563	2.5
156.09323	2.2
157.10124	5.9
158.11002	0.9
159.08104	1.4
159.11696	7.4
161.09608	2.5
161.13303	1.3
168.05707	3.4
169.06508	1.0
169.10120	3.0
170.10947	1.2
171.08032	0.9
171.11720	3.3
172.12492	0.8
173.09653	1.2
173.13310	3.5
174.99225	9.6
175.01598	1.0
175.14819	3.2
179.08595	1.3
181.10033	1.7
183.11736	1.8
185.13251	2.4
187.11240	1.4
187.14827	2.9
189.16466	1.3
195.11607	1.0
197.13231	2.7
199.14874	2.2
201.16272	1.0
209.13214	2.0
210.14090	0.8
211.14803	1.1
213.16373	1.7
215.02585	2.9
215.14307	0.7
221.13284	0.7
225.16289	1.1
228.09373	2.2
229.15739	1.0
233.03630	12.1
235.14641	0.9
251.00105	0.9
251.04674	7.8
253.15714	0.8
253.19635	0.7
271.20337	0.7
309.06799	0.8
309.22131	2.1
309.25525	0.8
327.07825	44.4
327.23019	5.9
328.08145	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20342	0.5
55.01870	0.6
56.31471	0.6
56.96303	1.1
56.96568	15.9
57.03448	0.8
61.02924	0.7
69.03434	2.8
70.06583	2.6
71.49632	1.0
71.95243	1.4
72.08158	0.8
73.02908	1.3
81.03425	1.3
83.97630	0.9
84.08134	2.2
84.96035	1.2
85.02911	5.1
85.85745	0.6
86.03253	0.6
86.09700	2.5
97.02892	2.4
98.97585	35.2
98.98479	5.9
99.04476	0.6
99.97931	0.9
101.05991	0.6
107.04912	0.8
110.97566	2.1
111.01375	0.5
111.97914	0.6
112.92294	1.1
116.98625	10.5
119.01901	0.6
126.02280	1.1
127.03921	1.2
128.98602	0.8
129.10257	0.8
130.93321	3.1
134.99673	1.3
140.03850	1.1
142.05438	1.1
143.00151	0.6
146.99544	0.6
148.06157	1.0
148.07584	0.9
148.94380	0.7
150.05510	3.4
152.07057	0.8
154.93321	1.7
155.94098	0.7
158.04926	1.3
158.92842	1.1
158.99707	0.7
160.06467	1.8
166.07269	12.5
166.08578	0.5
170.04947	1.1
170.99719	0.7
172.94362	43.6
179.09062	0.6
188.06073	0.8
190.09309	0.6
190.95407	16.8
191.54137	0.8
201.00778	0.8
208.96600	2.6
214.95399	55.2
216.97115	0.7
219.01778	1.6
220.02071	0.6
232.96472	100.0
237.02794	1.2
237.05103	0.7
237.55350	2.3
238.02997	0.6
238.05394	0.9
246.55908	1.8
250.97533	31.1
255.98088	1.6
269.96191	0.6
273.59006	0.7
278.95782	1.1
286.02872	1.1
287.97067	1.5
304.03696	1.3
305.98346	0.8
310.08621	1.0
311.00589	0.9
328.03784	17.4
328.10178	1.2
337.10715	1.0
337.15030	0.6
346.04883	71.5
347.05310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.73148	0.4
59.63702	0.4
68.49691	0.4
69.03419	1.5
70.06562	0.7
79.05495	5.2
80.05004	1.1
81.03407	0.6
83.17697	0.4
85.02939	2.4
91.05486	3.3
93.07047	5.1
95.04940	0.7
97.02859	0.6
98.98470	17.6
103.05466	5.9
105.05783	1.7
107.04910	0.6
109.02864	0.6
118.06553	2.0
119.07335	1.9
120.08112	21.4
124.93610	0.5
125.11938	0.4
130.06538	0.7
138.06409	0.5
142.12332	0.5
148.07578	100.0
149.07948	1.2
166.08644	9.7
174.99257	1.2
175.99568	0.5
176.98863	0.6
182.43645	0.5
202.10683	0.7
276.29837	0.5
328.12906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.7
54.15570	1.7
55.01875	3.2
55.05509	40.0
67.05508	9.0
69.03426	3.5
69.07076	9.1
70.60649	5.1
79.05501	23.3
81.07068	12.9
83.04964	2.9
83.08617	21.4
91.05476	9.2
93.07032	5.8
95.08577	3.7
97.10171	40.9
98.98470	100.0
105.07043	9.0
107.08592	54.4
109.02877	1.7
116.99478	1.6
119.08595	3.5
121.10169	1.7
125.09626	41.1
131.08539	3.9
133.10144	5.4
135.08009	2.8
135.11620	2.4
137.05971	2.3
138.06343	2.0
145.10109	4.0
147.11699	3.2
149.09668	2.5
153.09084	2.5
153.33189	1.8
171.10152	7.1
174.99323	8.2
176.98967	2.9
181.12177	2.0
189.11226	52.6
194.58966	1.8
239.17793	2.1
257.19000	6.8
275.20096	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	329.15
Annotation	phenylalanyltyrosine
Peak:m/z	Relative Intensity
53.03953	0.3
55.05516	0.3
56.05023	0.2
57.12111	0.2
57.46140	0.2
62.95338	0.2
65.73407	0.2
69.07063	0.3
70.06602	2.0
70.48441	0.5
71.06937	0.2
72.08160	1.8
73.06543	0.3
77.01593	0.2
84.04513	0.6
84.08163	1.4
85.02921	0.4
86.09714	2.5
87.10054	0.6
91.05476	1.7
93.07045	2.2
95.04990	0.3
98.98476	74.6
100.98875	0.6
103.05482	7.4
103.41477	0.2
107.04996	0.3
109.02829	0.2
116.07120	1.1
116.99496	1.1
117.07381	0.3
118.06523	0.3
119.04948	1.3
119.59418	0.2
120.08116	100.0
121.02894	0.4
121.06501	0.2
121.08458	0.7
123.04438	1.7
129.10252	0.6
133.02879	0.4
136.07588	6.2
137.06004	0.4
137.37436	0.2
138.05531	0.4
140.01137	0.3
147.04433	0.6
149.09610	0.4
151.03886	0.2
162.05534	0.3
165.05492	2.9
167.07092	0.2
173.05933	0.2
174.99261	5.2
175.07603	0.2
176.98965	2.7
182.08144	5.8
185.16515	0.3
186.16844	0.5
191.08897	0.3
214.16336	0.3
251.00175	0.4
252.99821	0.7
261.74219	0.2
283.06189	0.4
283.14417	0.7
329.06549	2.0
329.15161	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1497
Annotation	H-Tyr-Phe-OH
Peak:m/z	Relative Intensity
61.71115	0.2
65.03938	0.5
69.07045	0.3
69.64129	1.2
70.06593	2.1
71.06924	0.5
72.08162	1.4
77.01582	0.3
79.05529	0.2
81.07068	0.2
84.04516	0.5
84.08143	1.5
85.02908	0.4
86.09711	2.0
88.03992	0.3
90.79009	0.3
91.05486	27.5
92.05822	0.3
93.07043	0.3
95.04979	0.3
97.02899	0.4
98.98470	56.6
100.98911	0.5
103.05479	0.8
107.04961	2.9
109.02896	0.3
109.06522	0.7
116.99513	1.0
118.06546	1.0
119.04944	16.6
120.08110	10.1
121.02904	0.3
121.06517	1.4
121.08440	0.2
129.10201	0.5
132.08101	0.6
136.07582	100.0
137.06017	0.4
137.07913	0.9
140.07063	0.4
146.06020	2.0
147.04407	0.4
149.05849	0.2
166.08646	4.6
168.10112	0.3
174.99240	4.9
176.98927	2.3
182.08139	0.4
184.04550	0.5
184.09735	0.3
206.08104	1.2
210.02502	0.4
229.15616	0.3
236.20679	0.2
252.99661	0.7
283.06046	0.4
283.14395	0.8
284.12759	0.4
300.06277	0.3
312.12259	0.8
325.45679	0.2
329.06592	2.4
329.10248	0.3
329.10938	0.3
329.15198	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	329.2478
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
Peak:m/z	Relative Intensity
53.03948	3.4
53.16175	1.4
53.36853	1.1
55.05518	11.4
57.07055	1.8
57.15672	1.3
67.05511	13.9
69.07076	8.9
69.86182	8.0
71.04992	1.5
79.05488	12.0
81.07063	35.5
83.04992	3.3
83.08627	5.1
85.06555	20.1
91.05495	9.0
93.07051	28.2
95.08612	24.0
95.25223	1.5
97.06545	1.7
97.10162	1.4
98.21426	1.9
98.98474	54.8
99.04449	4.7
101.06022	4.7
101.83459	1.3
105.07037	29.5
107.08604	41.1
109.06519	5.3
109.10175	16.4
111.08116	1.6
117.07030	4.9
119.08582	25.6
121.10154	25.6
123.08108	2.4
123.11695	6.7
127.07556	7.8
129.07004	2.8
130.07768	2.2
131.08585	16.6
133.10146	17.7
135.08035	2.2
135.11708	8.6
141.09161	1.3
143.08574	3.7
144.09366	3.6
145.10146	31.3
147.11685	16.1
149.09659	3.6
149.13252	7.6
157.10138	8.7
158.10841	1.6
159.10468	3.0
159.11713	38.8
161.09630	1.6
161.13284	9.5
163.11189	1.6
163.14827	3.3
167.10725	4.1
171.11678	4.7
173.13264	21.8
174.99254	2.1
175.14812	4.4
176.98845	1.8
185.13275	4.0
187.14787	11.8
189.16368	3.6
199.14867	4.9
201.16379	19.1
203.17996	5.9
207.13805	1.8
211.14914	3.4
213.12701	2.3
213.16370	4.6
215.17969	35.9
219.13820	2.4
221.15472	2.7
223.14857	1.8
227.14458	1.8
227.17870	2.4
229.19626	2.7
233.15337	1.9
235.17145	1.6
237.16225	2.7
241.15887	2.2
255.17395	2.3
259.16956	1.7
269.19073	1.4
269.22763	3.7
273.18542	3.1
293.22668	4.2
301.02069	1.5
311.23703	8.1
329.24762	100.0
330.25082	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	329.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58141	0.8
53.03937	0.9
55.01883	1.2
55.05516	12.5
57.03427	4.1
57.07084	7.8
61.07358	0.9
65.03921	1.1
67.05517	14.4
69.06728	1.5
69.07075	19.3
69.76745	1.5
69.77155	3.3
70.06593	0.9
71.04977	1.4
71.08633	3.7
75.04492	1.0
79.05499	11.4
81.07070	20.2
83.08633	15.4
85.10201	2.4
88.07624	1.3
91.05447	2.2
93.07050	14.5
95.08612	15.0
97.06544	8.5
97.10174	8.0
98.20886	1.2
98.98478	100.0
100.98907	1.2
107.08614	11.9
109.10155	6.8
111.08085	3.3
111.11733	1.9
120.27955	0.9
121.10156	23.2
123.11749	5.5
125.09645	1.5
129.05490	1.1
135.11710	16.5
136.28027	0.8
137.13286	4.7
137.61493	1.0
139.11134	1.1
149.13269	6.9
159.72861	0.9
163.14810	4.1
167.14272	1.1
167.99754	1.0
174.99251	6.6
176.98785	1.7
177.00294	1.8
177.16394	1.1
190.01022	1.8
199.01512	1.2
219.21097	21.2
230.03470	1.2
237.22163	12.6
248.68108	1.1
252.99789	1.2
286.03006	2.2
304.04285	1.3
311.25827	6.7
330.33722	5.7
336.90958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.061
Annotation	2',3'-Cyclic AMP
Peak:m/z	Relative Intensity
55.01877	6.3
56.96572	5.7
57.03437	20.5
61.02932	93.6
69.03430	5.8
70.06590	100.0
70.85732	7.3
73.02927	4.9
79.10130	4.1
81.03398	6.0
85.02911	19.0
86.09701	16.6
87.00819	6.1
97.01446	6.5
97.02857	7.7
98.06036	4.9
98.98457	30.3
101.00896	24.2
101.02380	8.8
109.01321	4.7
110.02189	4.0
113.00874	6.4
113.02366	5.3
115.02489	9.9
115.03947	6.4
116.07066	4.7
118.01923	6.3
119.01938	17.1
123.05505	4.1
126.98794	8.1
127.02430	4.8
131.01915	9.8
133.02507	5.2
133.03474	14.7
139.02376	7.4
142.03043	5.4
143.01917	17.4
144.99817	15.9
146.01390	4.6
147.02940	7.3
148.02992	6.7
153.02139	7.0
155.01930	4.5
157.03499	5.9
159.01413	7.7
161.03003	13.8
161.04379	4.3
167.01865	11.4
168.99857	10.8
171.01414	9.7
172.99373	14.1
173.02988	17.1
174.02840	8.9
174.99217	5.3
175.00868	4.6
176.02533	6.5
177.02448	10.6
183.03271	7.1
183.14984	22.9
185.02930	10.9
187.00943	15.1
188.02487	23.2
189.02411	8.4
196.99275	6.4
197.02966	36.7
199.00839	7.3
201.02449	5.5
202.01587	9.4
203.04135	6.9
205.01991	12.6
211.14484	13.8
212.98907	4.8
213.02354	5.1
215.00333	5.0
216.99251	4.1
217.01949	6.6
218.03506	28.9
218.53596	7.0
219.03493	11.7
227.00381	6.7
227.03955	30.7
229.02077	6.2
231.68326	5.0
239.49789	4.3
245.01469	6.5
245.04956	5.8
247.02957	13.0
254.99947	8.6
265.04150	4.9
270.00516	6.0
271.03186	7.9
273.00977	8.3
287.02527	6.0
291.04477	6.2
297.99991	5.2
299.02484	8.2
301.00629	6.4
305.03650	6.9
315.01929	15.5
330.12146	11.3
333.03159	12.5
347.04504	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	330.1097
Annotation	Fluridone
Peak:m/z	Relative Intensity
69.27296	0.2
70.06583	0.4
71.51222	0.5
74.79498	0.2
81.03398	0.5
84.08107	0.3
84.90695	0.2
85.02859	0.4
97.02888	0.3
98.98466	5.1
110.10413	0.2
111.36539	0.3
114.04675	0.3
152.06175	2.4
153.06972	0.3
154.04140	0.5
173.04408	1.0
180.05707	3.3
181.06520	0.7
182.07120	0.3
184.05164	0.4
194.03627	2.2
196.05194	0.8
197.05989	0.7
198.06757	0.7
208.05200	56.6
209.05730	0.9
211.03888	3.1
212.04652	1.1
222.03131	3.6
224.04684	2.0
225.05461	3.1
226.06245	3.7
227.07063	1.3
229.04993	1.2
236.04695	12.4
239.03401	0.4
239.07088	0.9
240.04185	5.6
241.04909	0.4
241.08524	1.9
243.06436	0.4
250.02618	1.2
253.04950	1.0
254.05746	13.0
255.06494	1.2
257.04480	6.2
257.08221	0.4
264.04230	1.7
267.06586	0.9
268.03650	4.0
269.08087	39.5
270.05353	0.3
271.06076	2.6
271.09082	0.4
272.06772	6.7
273.07742	0.5
282.05258	6.1
283.05920	1.2
285.03918	0.3
285.07657	0.4
286.04681	1.3
286.08365	0.8
287.09137	5.1
297.07452	1.6
299.05499	0.5
300.06284	5.3
301.07120	3.2
314.07907	0.5
315.08618	100.0
316.09006	0.9
330.10974	88.7
331.11383	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1336
Annotation	Melicopicine
Peak:m/z	Relative Intensity
69.31493	2.1
74.80695	0.3
81.03391	0.3
82.28931	0.2
85.02886	0.5
94.99107	0.2
98.97872	0.4
98.98468	6.8
104.03728	0.3
107.07354	0.7
122.09702	1.3
122.10416	0.2
127.90539	0.2
129.70186	0.2
150.09149	11.0
158.81000	0.2
161.05957	1.1
167.07281	0.3
168.10187	0.8
169.05247	0.3
170.07289	0.3
176.98976	0.3
180.08104	0.5
181.06464	0.5
182.05841	0.3
182.07298	0.5
184.07605	0.3
185.05977	0.7
185.09592	0.6
195.06735	0.3
196.07620	0.4
197.08315	1.5
198.06781	0.8
198.95782	0.3
199.07571	0.6
200.08414	0.4
209.08363	0.5
210.05424	0.4
210.09140	0.6
212.07059	0.9
212.10574	0.4
213.09167	2.4
224.04945	0.5
224.07056	5.2
224.09283	0.3
225.07845	42.2
226.08211	0.7
240.10202	12.3
241.10628	0.5
242.08191	0.3
243.08929	1.1
258.11264	45.5
259.11615	0.9
271.08408	0.3
272.09103	0.3
284.09293	0.3
286.10861	1.5
286.13736	0.3
297.09784	0.5
312.12332	0.6
315.11038	3.0
330.13361	100.0
331.13693	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2026
Annotation	Pro Leu Thr
Peak:m/z	Relative Intensity
51.78051	0.2
53.03960	0.3
56.05032	0.4
57.09888	0.3
65.61471	0.2
69.07072	1.4
69.66425	0.5
69.66829	1.4
70.06596	100.0
71.06920	0.5
84.08160	0.7
85.02917	0.3
86.09710	15.6
98.98472	7.1
114.09193	0.6
120.06611	0.8
127.03983	0.4
130.05003	0.3
137.27066	0.3
140.07101	0.4
144.25349	0.3
168.06615	0.3
183.14940	36.7
211.14427	18.2
215.13918	1.2
233.14998	2.4
251.04369	0.3
269.11136	0.3
289.54742	0.3
311.19925	0.3
312.19180	1.7
330.12183	0.7
330.20279	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	330.2388
Annotation	Val Val Ile
Peak:m/z	Relative Intensity
50.58570	0.3
55.05515	7.4
57.05825	0.6
66.17625	0.3
69.27213	2.8
70.06599	1.1
72.08158	100.0
84.08126	0.5
85.02899	0.4
86.06115	0.4
86.09713	7.7
91.78330	0.3
98.20727	0.6
98.98469	14.8
105.45831	0.3
129.10260	0.4
132.10193	1.7
168.06558	0.4
171.14935	35.2
174.99281	0.9
176.98938	0.7
185.16495	2.5
199.14429	16.8
199.90598	0.4
208.05278	0.7
213.16075	1.1
231.17024	4.6
269.08167	0.6
294.63428	0.3
315.08725	1.5
330.11084	1.5
330.24084	0.5
346.09818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.4
55.01872	3.2
55.05512	46.8
60.07692	1.9
64.25060	2.0
67.05512	12.9
69.03410	4.4
69.07062	9.1
71.08624	6.7
71.51086	3.2
76.96275	1.9
79.05499	13.0
81.03392	2.5
81.07072	13.7
83.04918	3.2
83.08623	29.7
87.04463	6.0
87.30234	1.9
88.07623	2.0
89.67797	2.1
91.05496	3.4
93.07038	6.9
95.04984	2.3
95.08595	4.4
97.10177	55.2
98.98473	100.0
99.08098	3.2
105.07035	2.4
107.08593	10.7
109.10183	2.7
118.19845	2.2
119.08604	2.7
125.08771	3.4
125.09637	49.8
127.03938	3.5
135.08041	3.2
143.10609	2.4
151.11171	3.0
153.09077	3.7
161.13243	3.8
171.10170	14.1
174.99159	4.6
176.98949	3.3
189.11218	82.4
203.96367	2.3
259.20490	3.1
277.21664	40.0
295.22815	4.4
330.10654	2.3
330.30252	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	330.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67939	0.2
55.05522	1.3
55.05734	0.2
56.05038	5.6
57.03419	0.2
57.07077	2.4
58.06584	0.7
60.04528	12.2
67.04332	0.2
67.05511	1.6
68.05028	0.5
69.07072	1.6
69.95340	1.1
70.06596	2.1
71.05001	0.3
71.08633	1.6
72.04523	1.9
74.06084	100.0
79.05496	0.7
80.57484	0.2
81.07051	1.3
82.06587	0.5
83.04994	0.3
83.08626	1.1
84.80908	0.2
85.10202	0.5
86.06056	1.1
88.07641	2.6
90.48579	0.3
91.05467	0.2
93.07034	0.4
94.06562	0.4
95.08619	1.7
96.08183	0.2
97.10204	0.7
98.20870	0.3
98.98474	13.5
100.98950	0.3
102.09182	0.4
106.08681	0.9
107.08611	0.4
107.90836	0.2
109.10178	0.6
123.11700	0.3
130.08682	0.7
166.32716	0.2
174.99269	0.6
176.98993	0.7
226.05702	0.2
254.28607	0.5
256.26410	0.3
264.26974	0.5
265.25400	0.3
266.28577	0.4
270.28036	0.8
282.27924	3.1
294.28058	1.5
300.28964	1.4
312.29117	2.4
312.32800	0.8
313.13547	0.3
330.25916	0.5
330.30145	9.2
330.33859	8.9
340.38861	0.2
352.14255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.3368
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
55.05510	0.5
56.05035	1.2
57.07082	8.6
58.06589	0.6
60.04529	2.1
62.06080	0.6
67.05505	0.4
68.05034	0.4
69.07093	0.4
70.06599	13.9
70.93208	0.3
70.93533	0.2
71.08636	3.4
71.18234	0.2
72.04514	0.2
74.06086	16.7
81.07030	0.3
85.10188	1.5
86.06088	0.7
88.07637	16.6
98.98463	1.8
101.08441	0.2
102.09190	4.9
106.08675	9.5
151.74554	0.2
153.31429	0.2
168.82701	0.1
238.65491	0.2
268.30023	0.4
282.27951	0.5
286.31061	0.7
294.28061	0.2
312.29376	0.2
312.32596	6.3
313.33298	0.2
330.33670	100.0
331.34021	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03714	0.8
53.03938	4.8
54.91965	0.8
55.01865	0.9
57.03422	1.1
61.02933	1.3
67.05490	1.6
68.11791	0.7
69.03415	1.0
69.76465	5.1
71.05006	1.6
78.33369	0.8
79.05492	1.4
81.03426	26.1
81.07060	2.3
85.02898	1.7
91.05477	1.7
93.07025	2.4
95.04977	1.1
95.08612	1.6
97.02898	8.0
98.20859	1.7
98.98476	63.0
99.04455	4.9
100.98906	1.1
105.07055	1.6
107.04926	0.8
107.08587	2.0
109.02888	58.8
117.07034	0.9
121.06523	0.8
121.10098	1.2
127.03925	100.0
131.08569	1.2
137.06009	1.5
139.03905	2.0
139.17374	0.8
145.10146	1.8
169.04982	23.9
174.99254	2.0
176.98944	5.3
183.08138	0.9
191.16397	0.9
201.19151	0.8
331.11874	4.6
331.19092	1.8
331.22739	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
53.44248	0.5
57.03418	0.6
61.02921	0.7
69.60031	0.8
69.60439	1.9
71.04993	1.8
81.03424	25.7
83.01360	0.9
85.02892	1.4
93.24807	0.4
97.02898	6.8
98.21114	1.5
98.98477	7.2
99.04450	3.6
103.03953	1.0
109.02888	56.8
116.99475	0.5
118.31120	0.4
122.55076	0.5
127.03925	100.0
128.04276	0.7
137.06009	0.9
139.03925	3.1
165.07063	0.9
169.04985	20.4
174.99136	0.5
176.98830	0.5
195.77420	0.5
197.05914	0.5
229.07135	0.5
331.11804	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
70.06546	0.9
71.04972	2.6
81.03422	22.8
81.07021	1.4
83.01316	1.4
85.02908	1.6
91.05502	1.9
93.66539	0.8
95.08593	1.7
97.02879	7.4
98.98470	52.7
99.04454	3.7
100.98881	1.7
107.04949	0.9
109.02885	60.1
117.06999	2.3
121.10162	1.1
127.03921	100.0
135.11752	0.9
139.03915	2.5
141.73779	0.9
143.07326	0.8
145.06500	1.0
165.07043	1.4
169.04971	18.6
174.99240	2.0
176.98906	3.7
181.04980	1.0
186.24071	0.8
196.05014	0.9
204.68056	0.9
206.02884	0.9
235.41708	0.9
252.99777	1.4
318.76828	0.8
331.11786	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	331.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20325	0.9
53.03931	3.3
55.05498	0.9
56.76486	0.7
57.03442	1.1
61.02925	0.9
69.03436	1.2
69.27270	7.5
71.04977	1.9
77.69341	0.7
79.05514	1.0
81.03420	23.0
85.02900	2.4
91.05490	1.0
91.46158	0.8
93.07055	1.2
95.04953	1.2
97.02898	6.5
98.20716	1.4
98.98470	57.3
99.04438	3.1
100.98870	2.0
107.08591	1.4
109.02882	54.1
109.74936	0.8
117.07032	1.0
127.03919	100.0
139.03885	2.5
151.03882	1.4
169.04955	19.9
174.99171	2.5
176.98912	5.6
228.39641	0.9
242.91917	0.9
318.26212	0.9
331.11990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.5
55.01871	1.0
57.03434	1.2
67.05511	0.7
69.03424	0.7
69.07079	0.8
71.04994	2.3
79.05506	1.0
81.03425	24.6
81.07047	2.0
83.01363	0.7
84.64018	0.5
85.02907	2.1
91.05472	1.8
93.07076	1.6
93.92439	0.5
95.04992	1.1
95.08605	1.3
97.02896	8.0
98.98475	43.8
99.04482	2.7
100.98907	0.8
105.07037	2.0
107.04963	0.6
107.08587	1.1
109.02890	55.8
109.10176	0.6
117.07059	0.5
119.08580	1.2
127.03930	100.0
131.08578	0.7
133.10135	0.8
137.06021	2.9
137.09692	0.7
139.03906	2.7
144.59904	0.6
145.10138	1.0
153.07036	0.7
159.11801	1.0
165.07066	0.9
167.56520	0.5
169.04976	20.4
171.11671	0.7
174.99287	1.6
176.98949	4.2
181.06487	1.0
182.07326	0.8
183.08090	1.3
185.05954	0.9
188.08905	0.5
209.05786	1.2
211.07527	1.4
212.08493	0.5
213.05417	0.6
213.16360	0.5
215.03429	0.6
225.09259	0.7
243.06776	0.7
271.09729	1.1
285.35901	0.6
331.11853	11.2
331.18756	0.8
331.22598	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1024
Annotation	32142-31-7
Peak:m/z	Relative Intensity
53.03946	0.6
55.01854	1.7
55.05499	1.1
55.58552	0.6
57.03421	0.8
61.02944	0.7
67.01849	1.6
67.05542	0.6
68.99789	0.7
69.03432	3.3
70.06582	2.3
71.05007	0.6
71.24578	1.0
72.08153	7.7
73.02898	0.6
73.08471	1.2
79.05459	0.6
81.03401	1.8
83.04988	0.9
84.08142	1.5
85.02916	4.4
86.09689	1.9
91.05477	1.1
95.04962	1.8
97.02896	1.2
98.98467	54.1
99.04442	1.1
100.98896	1.7
105.07014	0.7
107.04924	0.9
109.02841	1.0
109.06581	0.7
109.24831	0.6
116.99506	0.7
119.45193	0.5
120.08086	0.7
121.02857	3.9
123.04414	9.4
127.03934	9.2
129.10220	0.8
137.06012	1.5
142.89658	0.5
145.04990	0.7
149.06010	1.0
151.03905	16.4
151.07532	1.6
151.11203	1.5
153.07098	0.7
163.03838	0.8
165.05432	0.8
169.04965	100.0
171.14922	1.9
172.15276	1.2
173.04485	7.3
174.99229	2.1
176.98938	5.3
182.07237	0.9
193.04988	0.8
195.02917	1.5
199.14323	0.9
200.14528	0.6
227.06879	0.8
257.96143	0.6
331.07129	2.9
331.11728	3.2
331.17328	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	331.1025
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
53.03942	1.0
55.01851	0.4
61.02912	0.3
65.86636	0.3
69.03439	3.6
69.56770	2.1
70.85997	0.3
71.04980	0.5
72.08173	0.5
73.02939	0.5
73.52998	0.3
75.79551	0.3
81.03430	4.5
85.02899	2.5
86.09704	0.8
92.37193	0.4
97.02898	1.5
98.98469	3.8
99.04478	1.1
109.02872	4.3
127.03927	100.0
128.04289	0.4
187.05984	2.4
199.78595	0.3
239.51462	0.4
348.14191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1025
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.10703	0.8
52.83047	0.9
55.01865	2.4
55.05518	1.1
57.03446	1.4
61.02919	1.3
61.42025	1.0
63.63955	0.9
67.01854	2.4
67.05495	1.2
69.03417	3.9
70.06610	5.9
70.78973	3.3
72.08144	1.7
73.02916	1.1
81.03410	3.1
83.05003	1.4
84.04507	2.2
84.08144	3.1
85.02918	15.3
86.09722	5.6
91.05511	1.3
95.04939	1.4
97.02891	3.7
97.06436	1.0
98.98473	100.0
99.04468	1.7
100.98896	1.8
103.03960	1.2
107.04908	1.8
109.02916	5.1
109.10094	1.5
116.99516	1.3
119.04968	1.7
120.08118	2.0
121.02864	2.3
123.04425	4.1
125.06007	17.2
127.03918	15.9
129.10257	2.4
137.05991	2.6
139.03920	1.2
144.06517	2.5
147.04414	4.3
151.03918	8.6
151.07545	4.4
151.11166	5.4
161.09219	2.3
163.03944	6.2
165.05473	3.2
169.04938	5.6
169.08611	58.0
174.99242	3.0
175.03905	1.5
176.98904	6.5
179.07092	1.1
181.04953	16.3
187.03845	2.6
189.05476	3.1
189.56181	1.0
193.03293	2.0
193.04971	28.7
205.04941	3.4
207.02940	1.7
207.06557	7.5
211.06036	20.7
229.04903	4.5
231.06743	1.3
235.06020	20.1
241.04950	2.8
247.06015	22.5
259.06027	11.7
265.07089	2.6
277.07187	5.2
295.08060	2.6
331.13751	3.3
345.53702	0.9
347.80859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01876	1.3
55.05515	0.8
56.05024	2.3
57.03436	1.3
60.05651	0.8
62.33969	0.6
63.38855	0.5
63.62178	0.6
67.05503	0.8
69.03425	2.1
69.07068	3.4
70.06599	14.7
71.06937	1.0
71.26048	0.9
72.08161	4.3
74.06094	5.6
81.03424	2.3
81.07064	0.8
83.04965	0.8
84.04501	1.3
84.08154	5.0
85.02916	5.8
86.09712	17.1
87.10048	1.1
88.04017	1.2
91.05480	1.2
95.04962	0.8
97.02887	2.2
98.98473	100.0
100.98881	2.3
107.04960	1.7
108.08113	0.9
109.02892	1.8
110.07172	1.9
112.08763	1.6
115.08739	1.6
116.07108	1.3
116.99500	1.5
119.04983	0.9
120.08153	0.7
121.02840	1.1
123.04444	2.0
123.08222	0.6
125.06006	2.9
127.02988	1.1
127.03924	18.7
129.06570	0.7
129.10233	2.0
130.04985	0.7
135.04425	0.6
136.07736	0.8
137.05957	0.7
139.03931	1.1
147.04413	1.9
149.06128	0.7
151.03908	4.5
151.07591	1.4
151.08630	1.0
151.11200	1.5
152.07045	0.8
157.10806	0.6
157.12242	0.6
159.11290	1.2
161.06117	0.7
162.01949	0.6
163.03935	2.0
165.05511	1.4
169.04979	3.9
169.08620	7.5
169.09976	0.7
169.10742	0.8
169.12206	1.6
171.07669	0.7
174.99254	3.5
175.03943	0.9
175.11984	1.7
176.98947	7.1
177.05417	0.7
181.04962	7.5
187.03992	0.8
189.05498	1.4
193.04973	11.0
195.58022	0.6
205.05000	1.8
207.06522	3.0
211.06013	8.6
211.15594	0.8
217.04996	0.9
219.06610	0.9
229.04948	2.2
231.06595	0.7
235.06049	9.3
236.04472	0.6
247.06041	10.4
252.99835	0.9
259.05981	4.8
265.07056	1.0
273.17932	4.6
273.68201	1.1
277.07129	2.3
295.08182	1.1
296.42273	0.7
304.13165	0.6
317.95508	0.7
330.69263	1.4
331.13217	1.9
331.20605	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1179
Annotation	Angulifolin C
Peak:m/z	Relative Intensity
53.03946	2.0
55.01869	3.4
55.05516	2.2
62.34237	1.1
63.33624	1.0
64.03716	1.1
65.03951	1.1
67.05514	2.8
67.93275	1.1
69.03435	1.8
69.07087	1.6
70.06578	1.6
70.31177	3.9
73.93738	1.1
74.95417	0.9
79.05494	3.4
81.03411	1.6
81.07059	6.2
83.04977	2.6
84.08147	1.4
85.02880	1.5
88.67381	1.1
91.05481	9.9
93.07059	3.6
94.04211	1.5
94.41667	0.9
95.04962	4.3
95.08614	2.3
96.04877	1.0
97.01112	1.5
97.06543	1.2
98.20882	1.7
98.98478	90.4
99.04461	2.2
100.11201	1.3
100.98842	1.5
103.05454	1.8
105.04543	1.1
105.07047	7.2
107.04982	4.1
107.08630	3.0
109.02903	1.2
109.06523	10.0
115.05466	2.0
117.03448	1.3
117.07053	1.3
118.04147	1.9
119.04979	1.5
119.08585	2.5
121.06521	7.4
122.03657	3.6
123.04443	1.7
125.05981	1.0
126.36654	1.2
127.03928	2.2
128.06276	1.9
131.04951	2.7
131.08607	2.0
133.06512	3.2
133.10080	2.1
134.03694	1.3
135.08089	1.5
137.05997	57.1
141.07018	2.3
143.08556	1.8
145.06490	1.4
145.10156	1.5
146.03667	8.3
147.04419	5.8
147.11667	1.3
149.06020	10.5
151.07544	3.7
152.06238	4.2
153.07002	18.5
154.07767	3.7
155.08591	2.2
157.06477	2.5
157.10126	1.4
159.11697	1.5
161.06000	48.6
162.06772	8.4
163.07579	1.7
165.07021	47.1
166.07716	2.8
167.08583	3.6
168.05696	2.3
169.06528	2.9
169.10121	1.7
170.07333	2.4
171.08124	1.1
173.04477	3.0
173.13252	1.7
174.99229	3.5
175.11256	1.1
176.98959	5.9
177.05493	1.4
177.07011	1.4
179.08540	1.9
180.05757	1.2
181.06503	30.0
182.07277	20.2
183.08090	5.1
185.06047	1.7
185.09587	1.3
185.13297	1.5
189.05484	2.5
192.05751	2.1
193.06503	35.9
194.07323	10.9
195.08089	3.9
196.05145	1.9
197.05984	3.8
197.09647	4.6
198.06778	5.2
199.07568	2.6
203.24805	1.1
209.05957	7.6
210.06792	33.7
210.18578	3.8
211.07555	8.2
212.04703	1.1
213.05479	3.3
213.09142	11.4
221.06009	34.1
222.06819	7.4
223.07498	3.1
224.08363	2.3
225.09126	58.9
226.06256	2.7
227.07069	3.0
228.07878	2.1
237.05466	3.6
238.06282	17.6
239.07045	9.7
241.04970	1.6
241.08678	8.5
242.09404	2.6
243.10182	1.9
252.07802	1.5
253.08629	100.0
254.09299	7.9
255.06523	4.1
256.07333	1.9
257.08038	2.0
269.08090	10.0
270.05939	1.1
270.08691	6.4
271.09775	2.6
273.11279	4.4
281.08136	13.2
284.10355	5.5
285.11240	36.4
299.09137	2.2
301.10797	12.8
313.10742	30.6
316.09015	4.8
331.11780	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	331.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23747	1.4
55.01854	2.1
55.05502	2.4
57.03428	4.7
65.23038	1.3
69.03434	20.3
69.07064	2.3
70.06593	5.9
70.10074	6.3
71.05000	33.4
72.08163	2.9
73.02900	1.4
79.05495	1.7
81.07050	5.7
83.04979	6.4
83.06070	1.7
84.04506	3.2
84.08133	1.7
85.02906	35.3
85.86461	1.7
86.09702	11.6
86.25221	1.4
87.09994	2.0
91.05488	2.4
95.04945	2.3
98.21475	2.3
98.98472	100.0
100.98909	2.1
109.06550	1.4
127.03914	14.7
129.05479	10.7
129.06490	2.6
129.10216	1.5
137.05969	2.6
141.06601	2.5
146.11749	3.9
151.11197	2.2
153.05475	2.1
166.06311	1.7
167.07072	3.4
169.12305	2.2
170.05714	9.4
174.09438	2.5
174.99210	4.2
176.98933	7.6
177.05624	1.6
178.06284	2.9
182.05746	4.3
182.65468	1.6
185.08105	6.2
185.16512	2.0
186.08743	2.4
186.16803	2.1
194.05730	4.4
195.06558	1.8
197.08150	7.2
201.09065	1.8
203.14099	2.0
227.09071	3.3
251.09187	3.5
258.07211	1.5
277.10666	6.3
295.12112	1.8
331.12982	6.8
348.18530	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	2',3'-Dihydro-jatamansin
Peak:m/z	Relative Intensity
53.03933	0.8
55.05314	0.7
55.05516	7.7
56.29699	0.7
57.07080	3.9
59.04994	0.8
65.03931	3.9
67.05509	18.2
69.07059	2.6
69.60455	4.1
71.04993	1.6
73.95526	0.7
81.03407	0.8
83.01332	1.5
85.06080	1.1
85.06554	15.2
88.90903	0.7
91.05489	5.2
98.20872	1.5
98.98474	10.7
103.05434	1.6
105.07038	1.1
109.02905	2.0
117.07025	0.7
119.04942	3.3
121.10104	1.0
127.03893	3.4
128.06271	0.9
129.07025	0.7
131.04012	1.0
131.04922	7.7
143.04906	1.3
147.04424	15.0
154.38380	0.7
159.04430	7.7
161.05981	2.0
163.03893	3.2
167.08537	0.8
169.04985	0.8
171.04436	2.7
173.05975	1.7
175.03918	100.0
176.04480	1.4
176.98924	0.9
177.05489	13.2
185.09645	0.9
187.03928	18.9
187.07552	3.0
189.05444	10.6
198.06787	1.3
199.03886	8.7
201.05530	5.7
201.09093	0.8
203.03391	5.2
203.07072	2.6
211.07565	1.2
212.04642	1.1
213.05522	2.7
213.09116	1.7
215.07068	4.9
217.05061	1.7
217.08676	1.2
226.06253	5.4
227.07076	1.0
228.07788	2.1
229.08606	28.8
231.10170	16.1
239.07060	1.3
241.08612	18.2
243.10208	19.2
245.08058	3.6
247.09669	48.3
253.08575	2.4
259.09671	14.1
261.11124	1.6
271.09662	2.0
295.13318	2.9
313.14365	11.8
331.11874	1.3
331.15384	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	331.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.9
55.05520	5.9
55.39219	1.1
59.04980	4.5
61.02916	1.1
67.05503	1.3
69.03438	6.1
69.86285	4.6
70.06601	2.1
71.04989	1.9
79.05495	2.5
81.03427	5.4
81.07038	8.0
83.04973	4.0
83.56739	1.1
84.08138	1.6
85.02918	9.6
90.28413	1.1
91.05479	4.0
93.07034	2.5
97.02885	4.7
98.20773	1.4
98.98474	100.0
99.04427	2.3
100.98889	1.9
101.06013	3.7
103.05489	1.1
105.07008	2.1
105.94332	1.0
107.04895	2.1
107.08564	3.0
109.02855	2.7
109.06514	2.3
109.10149	4.5
111.04436	4.3
111.08060	1.3
115.09225	1.1
116.99504	1.8
120.08081	2.2
121.06474	2.2
123.11699	6.0
124.46262	1.1
127.03267	0.9
127.03933	9.5
129.05484	2.6
133.10114	2.9
137.05992	16.4
147.04364	1.4
149.05974	3.7
151.03853	1.3
151.07570	2.0
151.11221	8.2
153.06992	4.6
161.05988	5.4
162.06462	1.2
165.05612	1.5
165.06978	5.2
167.07117	1.4
173.04466	14.8
174.99257	5.4
176.98909	9.4
177.05463	2.2
181.06517	5.8
182.07153	2.0
193.06538	2.6
195.08037	2.1
204.57314	1.1
209.05904	2.1
210.06755	3.1
211.07481	3.1
213.09038	2.7
214.09467	2.5
214.18895	1.3
221.05933	2.6
225.07475	12.7
226.08191	36.8
227.06894	1.4
239.07040	2.2
240.10191	3.0
241.08522	2.5
241.10532	8.7
253.08667	5.8
256.07553	1.4
258.05304	1.5
258.11298	8.6
259.11618	43.8
269.08154	1.2
270.05234	1.3
271.09720	5.2
281.07968	3.0
283.09689	1.2
285.08264	2.2
285.11325	3.3
287.11298	1.2
299.09088	2.7
300.09851	3.4
301.10693	3.0
313.10989	1.6
315.04858	5.6
316.11392	3.2
331.07965	6.6
331.13876	98.2
332.13702	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	13.0
55.26864	1.8
57.03434	8.2
57.07080	100.0
67.05508	23.1
68.27480	2.5
69.07071	15.9
69.29883	20.1
69.30206	2.8
70.06580	6.6
71.08637	69.8
81.07065	32.7
83.08624	26.1
85.10188	40.9
88.07628	7.6
93.84846	2.2
95.08619	59.5
97.10188	11.3
98.98481	17.4
102.09151	3.0
103.07544	2.6
106.08669	5.0
109.10158	26.5
111.11749	3.3
123.11720	10.1
137.13239	7.1
151.14764	2.8
161.60564	2.1
223.25294	2.1
239.23792	16.8
257.24841	4.9
313.27408	55.2
313.32916	3.8
331.34006	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.8
57.03429	7.8
57.07080	100.0
67.05509	30.8
69.07073	19.4
70.06583	10.3
70.11285	4.1
70.11683	7.8
71.08636	67.0
74.06087	4.2
76.89742	2.6
81.07060	38.9
83.08630	20.9
85.10193	40.3
88.07635	9.9
89.07937	2.8
95.08608	55.5
96.75773	2.4
97.10175	12.9
98.98471	89.5
100.98882	4.9
102.09220	2.7
105.07019	3.0
106.08679	7.9
109.10153	28.3
123.11715	10.7
137.05930	3.2
137.13301	4.6
174.99196	2.8
176.98860	6.1
181.17911	2.5
181.91406	2.9
191.35922	3.2
239.23734	14.9
243.42392	3.2
257.24695	7.5
313.27393	56.7
313.32953	6.0
331.25992	3.9
331.34039	95.4
331.38049	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	331.2845
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05501	13.4
57.03435	7.8
57.07082	100.0
67.05517	26.3
69.07071	22.0
69.73537	15.9
71.08639	77.6
75.04494	3.3
81.07065	32.8
82.71694	2.3
83.08637	26.7
85.10195	38.2
89.06046	2.8
93.07087	3.0
95.08613	51.9
97.10170	14.8
98.20837	4.4
98.98476	41.2
99.11691	3.4
109.10166	26.1
123.11752	12.3
137.13252	6.6
218.31108	2.5
239.23697	16.4
257.24741	8.4
313.27411	61.3
331.34042	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	331.2996
Annotation	Geranylgeranylacetone
Peak:m/z	Relative Intensity
55.05499	6.0
57.07059	4.7
59.04956	1.3
67.05505	10.0
69.07068	10.5
69.57040	6.1
69.57445	3.4
71.04990	1.9
71.08614	1.9
79.05484	4.1
81.07064	30.8
83.08601	7.9
85.06535	2.6
91.05459	4.4
93.07043	15.3
95.08613	35.7
97.10149	3.8
98.98469	100.0
99.08070	4.2
105.07035	7.4
106.26979	1.6
107.08593	23.0
109.10158	26.3
111.11703	1.6
113.09635	3.5
116.99519	1.5
119.08577	12.4
121.10143	20.5
123.11711	18.0
125.09656	1.8
131.08554	1.7
133.10132	10.1
135.11700	15.9
137.13255	10.0
145.10078	4.2
147.11699	8.7
149.13255	19.2
151.14819	3.0
159.11700	4.4
161.13272	6.1
163.14842	16.3
173.13222	3.5
174.99232	3.7
175.14856	6.9
176.98917	6.1
177.16335	6.7
187.14795	2.3
189.16315	5.0
191.17932	4.8
201.16377	2.8
203.17928	3.0
205.19528	5.8
215.17856	1.5
217.19557	5.4
243.21164	2.8
249.22029	2.0
257.22647	2.8
273.25751	4.0
275.23523	2.3
313.28952	13.3
331.26324	2.8
331.29947	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	332.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39494	0.6
53.03944	0.8
55.01860	0.6
56.96579	1.2
57.03436	1.8
59.02344	0.6
61.02922	2.9
67.05491	2.4
69.03430	9.0
70.06601	1.1
70.09941	2.5
71.05000	0.7
72.08148	1.6
73.02914	2.5
79.05474	1.4
81.03417	2.4
81.05801	0.8
81.07057	2.1
84.08155	1.9
85.02914	10.3
86.09701	1.8
87.04477	1.3
91.03978	0.7
93.05798	0.7
96.08145	0.8
97.02901	4.0
98.97588	1.6
99.04469	1.1
106.06574	5.0
108.08123	100.0
109.02888	1.4
109.08453	0.7
110.97563	1.4
115.80623	0.6
123.06815	4.3
124.07603	18.5
125.07204	0.8
127.03941	2.2
129.10280	0.8
129.61003	0.6
134.06013	9.8
136.07585	14.1
145.05029	1.0
150.01828	1.1
152.07077	71.4
154.08624	2.2
161.05629	3.1
170.05145	1.5
170.08154	6.9
171.07637	0.7
177.06081	0.8
219.01942	0.8
251.07826	0.8
307.69940	0.7
314.12360	39.1
315.12720	0.7
321.10352	2.9
332.13440	51.3
333.13812	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1344
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03966	1.2
55.01874	0.7
56.96559	1.7
57.03438	1.5
61.02924	2.5
65.03939	1.4
67.05505	2.0
69.03436	6.9
69.64120	0.6
70.44283	1.6
70.44639	0.8
73.02911	1.8
79.05505	0.9
81.03413	2.3
81.07051	1.1
84.08118	1.0
85.02914	6.0
87.04469	0.8
93.05807	0.8
96.08147	1.0
97.02907	3.7
98.97610	1.1
99.04467	0.7
106.06568	5.1
108.08125	100.0
109.02890	1.2
123.06808	4.9
124.07596	16.0
127.03934	1.3
134.06026	10.4
136.07584	12.2
152.07079	64.9
154.08676	1.2
161.04640	1.4
170.05208	2.2
170.08127	6.7
219.01657	0.6
242.07219	0.8
287.33856	0.6
314.06879	1.0
314.12350	32.5
332.13425	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	332.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04529	22.4
69.07074	7.3
69.67491	3.2
70.02948	0.6
70.06587	1.6
72.08167	0.7
81.03404	0.9
82.99530	0.5
84.08148	2.2
85.02924	0.7
86.09711	88.0
87.05593	10.1
91.05463	0.7
95.90145	0.5
98.20802	0.6
98.98477	6.5
100.11243	0.8
102.76476	0.5
105.06650	2.5
108.08124	0.6
110.09696	1.0
120.08119	1.0
123.57675	0.5
127.03935	0.8
128.04248	0.6
128.10732	11.6
132.10229	4.8
137.05998	1.4
173.04501	0.8
173.12871	100.0
174.04840	1.3
174.13182	0.6
176.98846	0.5
188.03786	2.7
201.12358	20.7
219.13432	4.3
245.18536	0.7
332.07254	0.8
332.11905	0.5
332.21255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.218
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04224	1.2
60.04527	22.6
60.93727	0.6
69.03411	0.8
69.07069	7.6
70.02949	1.2
70.06592	2.0
70.89140	1.8
73.69823	0.6
75.04344	0.6
79.63377	0.6
81.03414	0.8
84.08131	1.6
84.10541	0.6
85.02909	1.0
86.09707	89.2
87.05594	10.0
88.04121	0.6
94.68655	0.7
98.98472	6.7
99.04478	0.6
105.06623	2.0
108.08154	0.7
110.09634	0.7
115.45965	0.6
117.06922	0.6
127.03999	0.7
128.10713	13.4
130.25012	0.6
132.10199	4.1
137.05956	1.3
157.44144	0.6
173.04460	1.4
173.12862	100.0
174.04776	1.0
188.03830	2.5
201.12343	22.2
219.13397	3.2
242.79938	0.6
245.18639	0.7
260.96536	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.218
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
51.39976	0.6
52.84235	0.5
53.20413	0.5
59.94252	0.5
60.04222	1.0
60.04529	19.1
69.03439	0.6
69.07066	0.9
69.92874	1.4
69.93266	0.9
70.02954	1.5
70.06600	0.8
72.04504	0.8
81.03399	0.8
84.08143	0.8
85.02924	1.4
86.09711	81.8
87.05597	11.7
91.05451	0.7
98.98479	5.4
100.11265	0.6
101.87365	0.5
110.09620	0.7
114.86075	0.5
120.08117	1.0
127.03876	0.6
128.10735	9.6
132.10222	6.8
143.07132	0.6
167.07153	0.7
173.12871	100.0
174.13341	0.7
188.03773	0.7
197.29445	0.7
201.12357	25.6
219.13400	1.4
231.83344	0.6
245.18546	2.7
257.15671	0.7
273.13553	0.9
315.47107	0.6
343.92953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	15.7
55.01881	4.5
55.05509	2.8
57.03438	2.4
60.39935	2.3
65.03951	2.3
67.05514	4.6
68.99760	2.1
69.03432	17.7
69.68935	5.4
69.69351	9.9
71.04993	6.3
79.05484	3.9
80.12184	2.2
81.03416	44.6
81.07040	6.3
83.05006	3.9
85.02911	13.4
85.06573	2.9
86.09731	3.1
91.05487	100.0
93.07045	5.7
95.04955	2.5
95.08595	5.5
97.02909	6.7
97.06529	2.4
98.98480	24.8
99.04474	17.1
99.49780	2.4
100.98931	2.6
103.03990	2.9
103.05495	2.6
105.07013	9.0
107.04967	3.5
109.02886	67.7
109.06561	2.5
115.05489	15.8
117.07026	22.7
119.04924	2.8
119.08614	2.5
121.06554	2.6
121.10117	3.6
123.04444	4.1
125.02386	3.9
127.03926	71.9
129.07021	4.2
131.04900	2.8
133.06525	7.7
137.05991	22.7
143.04926	12.1
143.08549	5.0
145.04973	5.7
145.06500	13.6
147.04448	2.8
147.08075	2.5
153.06989	6.6
155.06064	4.8
157.10075	2.6
161.06004	38.5
165.07071	3.1
167.07048	22.8
171.03032	4.3
171.04419	42.6
171.08080	9.4
179.07056	7.1
181.06541	6.1
181.08717	2.7
189.05502	6.6
199.07530	23.6
213.09131	3.3
217.08585	7.2
223.07626	2.9
243.10202	3.5
245.08066	2.9
269.08173	11.2
287.09256	4.0
288.09967	7.7
333.09293	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	333.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03756	0.8
53.03956	9.1
53.22903	0.6
55.01883	3.5
55.05518	0.9
57.03432	1.5
65.03944	0.8
67.01852	0.8
67.05501	0.9
68.99791	1.2
69.03435	29.5
69.07053	0.7
71.01368	1.2
71.05010	5.4
79.05490	2.7
81.03423	33.2
81.07056	1.8
83.01335	5.6
85.02914	6.0
88.64106	0.6
91.05487	42.4
93.07072	1.1
95.04980	1.3
96.49861	0.7
97.02898	4.0
97.68253	0.7
98.98486	4.7
99.03849	1.5
99.04465	21.9
103.05489	1.4
105.03393	3.1
105.07039	22.5
107.04939	1.1
107.08611	1.2
109.02890	59.2
110.03297	0.7
115.03950	1.2
115.04844	0.6
115.05459	30.5
117.07025	41.8
119.04956	2.0
119.08599	1.6
121.10137	0.9
123.04449	1.0
127.03927	100.0
128.04225	0.9
131.04909	1.8
133.02859	1.0
133.06505	25.3
133.10161	0.9
137.05980	6.7
143.04932	15.8
143.08652	0.9
145.04974	21.9
145.06493	10.0
145.10178	1.0
147.04419	2.0
147.11676	0.8
153.05539	1.1
153.06982	2.0
155.06100	2.1
159.11642	0.9
161.05994	57.3
162.06328	1.1
167.07101	7.6
171.04419	35.7
171.08098	1.1
179.07089	3.0
181.06468	1.6
185.05952	0.9
189.05487	4.3
199.07535	2.1
243.10271	1.6
255.06511	1.1
269.08167	1.7
273.11063	0.8
288.09949	5.0
333.09485	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	16.3
54.05729	1.7
55.01861	4.6
57.03423	2.6
67.05504	2.7
69.03433	17.7
69.07101	1.8
69.76768	9.1
70.90802	1.7
71.04990	3.9
73.02903	1.6
76.36592	1.6
79.05489	2.3
81.03423	44.8
81.07043	3.5
83.01315	3.8
83.05067	1.7
85.02908	8.5
91.05489	68.7
93.07034	2.4
95.08566	3.3
97.02893	5.1
98.20885	3.7
98.98485	17.7
99.04462	23.7
100.98923	1.6
103.05478	3.9
105.03415	4.2
105.07035	15.7
109.02889	77.8
112.80308	1.6
113.43511	1.6
115.05459	22.3
117.07028	37.4
119.04953	3.4
121.06491	2.5
125.02361	3.6
127.03929	100.0
128.06244	2.6
133.06505	15.5
133.76949	1.8
137.05981	8.4
143.04938	11.3
143.08516	3.4
145.04968	10.2
145.06482	14.7
147.04413	3.6
151.07530	6.7
153.06989	7.4
157.06517	2.9
161.05991	47.9
167.07045	8.1
167.08405	1.8
169.06389	1.9
170.07204	1.8
171.04419	32.3
171.08041	8.6
179.07083	4.0
181.06496	6.6
183.08031	2.0
189.05449	7.4
199.07561	20.2
217.08554	8.0
225.09198	2.5
227.07101	3.2
243.10056	9.1
245.08167	5.1
269.08060	13.0
287.09119	3.1
288.10028	4.5
318.01871	2.5
333.09671	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	333.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.4
53.00303	1.2
53.03745	0.8
53.03949	8.6
55.01875	4.5
55.05507	0.9
57.03436	1.7
57.50784	1.1
59.07108	0.8
68.99751	0.9
69.03430	29.6
69.96228	3.8
70.14094	0.8
71.01357	0.8
71.04996	5.1
73.06125	0.9
79.05495	1.6
81.03421	30.2
83.01343	4.9
83.04984	0.9
85.02902	5.6
88.07635	1.0
88.66962	0.8
91.05486	43.5
97.02906	4.5
98.98468	3.7
99.03856	1.4
99.04463	19.5
102.18891	0.9
103.05492	2.3
105.03369	3.6
105.07028	21.0
107.08613	1.8
109.02883	61.2
112.92439	1.1
115.04007	1.2
115.05459	27.2
117.07023	41.7
127.03924	100.0
133.06491	21.8
143.04916	12.3
145.04947	22.1
145.06467	10.7
145.10147	1.1
155.03374	1.6
155.05956	1.4
161.05989	50.5
170.07185	1.0
171.04424	39.1
176.98944	1.2
179.07031	3.4
189.05530	4.6
199.07535	2.1
245.07993	0.9
269.08154	1.8
333.09692	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	333.1165
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
52.61929	0.8
53.03930	0.9
55.05515	1.1
56.94304	0.7
56.96559	1.0
59.26352	0.6
60.04515	2.1
67.05518	1.0
69.03423	2.0
70.06590	2.9
70.49838	1.7
70.50231	1.4
72.08141	1.5
72.93775	0.8
81.03406	1.2
82.06587	6.3
83.04966	1.1
84.04491	3.0
84.08142	8.1
85.02905	5.1
86.09705	11.3
87.10030	1.0
90.05573	1.2
90.94830	0.7
97.02898	2.6
98.97584	1.8
98.98475	17.0
98.99123	1.0
100.98899	1.6
107.04941	2.7
108.08086	0.9
111.04454	2.4
117.06606	0.7
120.29124	0.7
127.03926	1.3
129.10214	5.0
130.04961	1.2
130.06549	2.1
132.08072	1.3
132.10158	1.0
132.95853	1.7
136.06210	0.9
137.05971	5.7
139.03941	3.8
142.85606	0.7
143.11821	1.3
144.95789	0.7
152.07176	1.1
153.06569	10.0
158.97369	1.6
158.99632	1.2
159.09160	3.9
167.07066	1.4
170.06041	2.4
171.06433	5.5
171.07716	1.3
176.98840	1.6
189.12375	2.3
189.72644	0.7
195.07689	1.3
198.13152	0.7
202.08278	0.9
234.99007	3.7
235.91011	0.7
237.02742	0.9
255.06657	1.7
297.65726	0.8
315.05011	1.1
315.16705	0.9
333.11560	100.0
333.14938	4.6
334.11914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1333
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
53.46670	1.2
55.05495	1.5
55.63459	1.3
67.05521	2.4
69.03428	3.3
69.07066	1.6
69.93166	7.4
77.17270	1.2
78.04709	3.3
79.05488	2.3
81.03417	2.3
81.07067	1.8
84.08120	1.9
85.02917	4.3
85.06552	1.8
85.39635	1.2
85.81989	1.3
87.10771	1.3
91.05470	5.4
93.03370	1.9
93.07059	3.0
94.04175	3.7
95.04988	2.1
95.08608	2.0
97.06527	2.1
97.57099	1.3
98.98485	12.4
103.05471	1.7
105.07037	3.3
107.04967	2.7
107.08571	1.9
109.02857	1.8
109.06515	1.9
119.04926	2.6
119.08570	2.3
120.08141	1.4
121.06496	2.4
122.03649	7.5
123.04433	8.6
124.05219	2.9
127.03862	1.6
136.78030	1.6
137.05986	89.5
147.04379	2.5
147.11639	2.2
151.07564	2.4
152.04704	1.8
161.06006	1.6
165.07010	2.5
167.07048	100.0
181.06531	2.3
183.07991	2.5
199.07358	1.4
211.07527	2.4
227.07056	3.8
243.10437	1.5
271.09732	2.3
283.09552	2.4
288.09940	29.7
303.12280	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	333.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59121	1.0
53.03939	2.0
53.33825	1.1
55.01864	4.2
55.05508	5.5
56.04830	1.1
56.05042	11.8
58.99594	12.3
67.05509	18.0
69.03429	6.4
69.07070	10.6
70.02950	2.9
70.06579	2.3
71.04973	4.2
71.50976	2.0
73.01128	3.3
74.00652	5.7
76.02225	3.5
76.04014	2.4
79.05497	7.5
80.05013	3.6
81.03409	2.2
81.07081	8.3
82.06577	2.0
83.04988	2.7
83.08620	2.9
84.04492	3.3
84.08102	1.5
85.01127	2.6
85.02904	6.4
85.06519	1.7
86.00661	35.8
86.99047	5.9
87.02695	2.4
88.02206	3.9
91.05478	13.8
93.07053	18.6
95.04961	1.9
95.08608	12.7
96.08147	1.6
97.01121	27.5
97.06516	6.3
98.98472	12.9
99.02676	3.0
99.04444	2.3
100.02225	2.2
103.75590	1.2
105.07021	4.3
107.04992	1.9
107.08577	8.9
108.08167	1.4
109.02866	3.0
109.06530	3.1
109.10165	18.2
111.02673	2.1
112.02187	2.4
112.03942	2.0
113.00582	2.1
116.01694	23.5
116.05326	3.5
117.07006	2.0
119.04910	1.6
119.08592	11.5
121.10087	2.4
127.03925	3.0
130.05016	2.2
131.08560	2.4
133.10147	2.6
135.08029	3.7
135.11700	2.2
137.05972	8.0
137.09618	30.3
141.07286	1.6
143.02742	3.2
144.01144	4.2
147.11696	2.0
149.09576	2.0
150.58481	1.2
151.05760	1.7
154.12291	13.1
159.11734	1.6
160.00665	1.3
161.09669	2.0
162.02159	4.2
166.12267	4.2
167.07034	10.1
167.08838	2.5
169.06825	13.7
171.02863	1.8
172.13353	11.4
176.99037	1.4
177.07321	3.2
184.11653	2.3
184.13309	16.3
189.03304	4.5
193.07852	1.4
195.08411	9.6
212.11049	54.0
212.12811	3.4
213.09370	2.0
230.12064	28.3
230.13943	22.6
234.25905	1.5
240.08305	2.1
240.10567	16.7
258.11786	1.4
287.14209	2.3
288.09885	3.7
297.18726	2.0
298.11115	19.4
315.13687	6.0
315.19583	1.8
316.12158	3.1
333.11444	4.3
333.14767	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
55.05510	8.1
57.03437	8.7
57.07084	11.7
66.36655	5.0
69.03409	11.5
69.07069	13.7
70.06593	15.3
71.05008	23.8
71.50539	5.3
72.08160	18.6
73.02931	5.1
74.06085	8.6
79.05486	5.8
79.94939	4.3
81.03393	5.7
81.07061	23.8
84.08140	18.9
85.02917	36.0
86.09711	14.4
91.05499	10.7
93.07063	11.6
95.08614	13.3
97.02919	10.2
97.06516	12.4
98.98468	61.5
100.98899	7.5
103.05436	6.3
105.07037	5.8
107.08591	8.4
109.02910	7.5
109.06519	11.3
109.10142	5.8
117.07030	5.2
119.08590	6.3
120.08138	15.5
123.08051	5.3
123.11664	5.7
127.03931	10.9
129.10251	9.7
135.11711	19.9
137.06006	5.7
137.13239	10.7
141.12776	11.2
145.04970	5.6
153.12741	100.0
165.12787	13.7
167.01060	4.6
167.07045	6.2
171.12456	5.3
171.13788	28.1
177.12708	5.6
233.42293	4.7
272.34692	4.7
297.17542	5.1
313.66498	5.1
315.09860	5.6
315.17886	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	333.1911
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
55.01867	17.1
55.05503	16.6
57.03434	11.4
57.07066	14.6
57.18258	6.9
59.05013	6.0
60.81608	6.2
61.02906	8.5
62.76979	5.7
67.05502	10.6
69.03439	37.3
69.07063	26.3
70.06595	13.5
70.10150	15.4
71.05009	42.4
73.02886	10.7
74.34873	6.0
79.05494	16.6
81.03417	21.6
81.07054	38.0
81.84311	5.7
83.05029	5.8
83.08623	6.9
84.08137	7.5
85.02913	100.0
85.06553	38.0
86.09695	10.3
87.00848	9.0
91.05485	39.4
93.07057	47.2
93.98853	5.9
95.04951	14.1
95.08600	21.8
97.02897	23.6
97.06526	15.5
98.98468	73.1
99.04456	9.3
103.03937	9.2
105.07044	48.1
107.08600	46.5
109.02870	18.2
109.06525	20.1
109.10181	17.8
111.04459	13.1
111.08073	6.4
115.03942	7.4
115.74818	5.3
117.07014	16.3
119.08616	30.4
120.08137	9.4
121.06492	9.9
121.10151	7.2
122.03623	6.2
123.08102	12.6
127.03948	21.8
128.06244	6.2
128.93385	5.4
129.06992	6.4
131.08565	22.7
133.04945	9.6
133.10143	14.0
134.64026	5.4
135.08043	6.8
135.11688	47.4
137.05984	44.1
137.13193	5.5
143.08557	20.2
145.04979	14.3
145.10135	23.3
147.08054	41.3
147.11633	8.3
149.09569	5.3
151.07570	9.5
151.11208	10.5
153.05547	5.8
153.12752	72.6
159.08095	15.0
159.11630	7.9
165.12782	32.5
167.07065	55.8
171.08145	10.8
173.09613	26.4
173.13297	17.8
175.07559	11.9
177.12785	12.3
183.08153	5.7
183.11783	7.4
189.09079	6.0
189.12802	14.6
191.10718	9.1
195.96136	6.4
197.13350	6.2
198.86588	5.3
201.09177	6.1
217.41469	7.1
219.13875	9.4
231.13751	11.3
243.13828	6.8
261.14877	6.7
279.15881	8.5
288.09946	16.5
297.17102	11.0
315.18210	13.2
333.13904	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	333.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.0
55.05500	12.5
56.05003	4.2
57.03435	6.3
57.07065	3.6
58.06550	3.6
60.04516	7.2
67.05479	4.5
69.03427	11.8
69.07059	10.9
70.06593	5.0
71.04977	13.9
71.50409	4.8
72.08158	12.9
73.02917	4.4
74.06071	6.4
79.05482	8.6
81.03432	8.9
81.07068	15.9
83.04996	3.7
84.04502	4.1
84.08141	9.3
85.02912	34.0
86.09702	27.2
86.14670	3.0
87.05576	7.3
91.05489	9.9
93.07048	21.2
95.04996	5.6
95.08617	8.6
97.02881	12.4
98.98463	35.7
101.07132	3.4
105.07022	14.6
107.04922	4.3
107.08600	21.8
107.91358	2.9
109.02885	5.8
109.06532	6.6
109.10168	5.7
115.03898	4.5
119.08622	15.1
120.08054	4.5
123.04433	5.5
127.03960	7.3
131.08597	6.9
133.06085	13.7
135.11678	12.1
137.05981	18.7
143.08557	6.0
145.10120	8.7
147.08055	12.6
151.11243	3.7
153.12700	15.9
159.08165	3.4
165.01938	8.3
165.12764	14.8
166.06976	3.4
167.07101	18.5
171.08029	3.7
173.09689	7.4
173.12881	33.2
174.11176	5.1
174.13264	7.5
177.05446	3.5
181.07721	3.3
189.12810	3.1
193.96257	3.4
195.09265	4.6
197.07080	6.6
201.12437	9.7
205.04990	61.1
213.06622	5.2
223.08670	5.3
231.06593	5.5
231.13745	6.1
249.07611	100.0
251.08067	5.3
279.15927	4.5
287.10263	10.4
288.10025	5.8
297.16983	4.7
315.09689	13.9
315.18185	6.2
333.10641	29.9
333.14175	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.191
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.69259	1.6
51.80379	1.7
53.03941	3.4
55.01877	5.3
55.05514	6.7
57.03443	10.9
57.07080	18.2
59.05003	10.8
60.04527	2.5
61.02931	13.5
67.05515	12.4
69.03436	33.5
69.07072	15.1
69.20445	17.4
69.20850	2.2
70.06587	6.8
71.05003	5.6
73.02920	5.5
73.63275	1.8
79.05482	3.0
81.03418	15.9
81.07050	6.8
83.08614	6.3
84.08138	4.5
85.02910	94.5
85.06544	15.0
86.09699	15.6
87.04485	4.1
87.10033	3.8
91.03964	6.4
91.05461	3.0
93.07051	7.0
95.04969	4.7
95.08612	62.2
97.02897	26.1
97.06550	7.0
98.21591	2.7
98.98482	9.0
99.04456	7.4
99.08096	17.4
107.08601	11.0
109.02874	7.9
109.06519	9.6
109.10161	20.7
110.07241	2.0
111.08102	12.8
111.08777	1.8
111.11745	3.0
113.09647	83.6
127.03935	17.3
127.11194	53.3
129.10211	2.1
135.11699	15.7
137.05969	8.9
137.13295	5.3
145.04985	27.3
151.03976	2.1
153.12747	100.0
153.68690	2.0
155.14314	13.5
167.07066	5.0
171.13812	46.2
173.12938	6.9
174.13219	5.0
177.12796	3.2
200.88318	1.9
213.14853	4.1
277.81879	2.2
301.11670	2.2
307.26035	1.7
318.03735	2.0
333.06085	7.5
333.19009	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	334.15
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51818	1.1
55.46872	1.0
56.05028	2.3
56.96563	3.3
57.03422	1.2
57.27035	1.1
58.06612	1.6
60.04523	7.5
61.02928	2.1
63.91825	1.1
69.03427	3.5
69.77066	6.6
70.02953	2.7
70.06598	9.2
71.04981	1.3
72.08157	2.2
72.93792	2.3
73.02895	1.3
74.06082	3.2
78.48649	1.1
81.03404	1.8
82.98215	1.3
83.06920	1.2
83.64365	1.1
84.04507	4.5
84.08141	12.1
85.02901	8.9
85.08498	1.8
86.09710	27.4
87.05597	2.7
87.10030	2.4
88.04010	3.0
91.05476	2.1
94.04186	3.7
97.02915	5.6
98.97587	6.8
98.98470	2.8
101.07133	2.0
102.05497	1.9
105.11446	1.3
107.04961	9.6
109.02934	1.7
110.06066	2.1
110.07127	2.0
115.05038	3.9
116.98619	2.3
117.11027	1.0
120.08113	3.7
120.25726	1.4
122.03661	6.2
124.07569	1.6
124.42215	1.4
127.03954	2.0
129.10245	3.6
130.04994	4.8
130.06493	1.9
131.08270	1.2
132.08038	1.4
132.10207	4.9
136.07503	1.7
137.05984	100.0
142.12320	1.4
145.05086	1.6
150.96886	1.3
154.08681	1.4
157.06071	3.2
158.99677	2.3
170.06096	1.6
170.99626	1.4
172.09720	2.4
175.07100	7.0
177.00700	1.3
187.14435	10.0
203.06654	5.1
215.13963	3.9
219.01753	1.6
219.13399	1.7
237.02896	2.3
246.72516	1.2
253.06535	2.5
334.11835	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	335.074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65014	8.0
56.96566	62.2
59.12931	7.7
61.02932	61.0
70.98108	14.1
71.50539	11.4
76.78135	7.6
82.57672	7.5
84.08146	20.3
85.02913	19.4
89.18320	7.4
96.71002	7.3
97.02905	18.7
98.97586	71.3
101.00877	18.1
110.97563	23.9
116.98630	15.6
119.01915	37.7
123.05569	20.8
127.02454	12.6
128.02325	19.9
128.98625	29.4
129.10202	10.5
130.97871	8.0
131.01912	8.7
132.95854	24.8
143.01923	29.4
146.99643	25.3
150.96948	8.9
157.82671	9.0
158.05112	8.2
161.02975	26.1
172.97591	17.6
173.02968	18.0
176.45688	8.9
185.02982	13.3
189.00722	21.4
190.98674	33.0
207.01707	13.1
213.03445	21.4
213.53635	16.1
214.98633	25.5
226.52626	16.6
230.97960	10.4
232.99699	34.3
245.05121	23.6
263.05978	11.3
320.51471	9.7
335.03387	10.9
335.07364	100.0
335.09766	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.4
52.43803	0.2
53.03957	1.2
55.01903	0.2
58.80676	0.2
66.16348	0.2
67.01854	0.4
67.05499	0.3
69.03433	2.5
70.06591	0.6
70.88203	0.2
70.88521	0.3
71.04994	0.4
77.03944	0.4
79.05493	0.3
81.03426	3.0
81.07055	0.6
83.04987	0.2
84.08202	0.2
85.02914	1.5
86.09751	0.2
91.05481	0.3
93.07053	0.3
95.04978	0.8
95.08633	0.6
97.02901	3.1
97.17509	0.2
99.04453	0.9
102.04689	0.4
103.05476	39.7
105.04548	0.3
105.07065	0.2
109.02884	2.6
109.10188	0.3
113.67653	0.2
119.08603	0.2
127.03946	1.4
131.04939	100.0
132.05302	1.2
132.10287	0.3
145.10136	0.2
149.06046	0.3
158.07391	0.2
179.48196	0.2
187.06047	0.2
187.07567	0.2
201.09203	0.9
214.06139	0.3
229.08611	0.8
247.09616	0.3
257.08102	1.8
272.25778	0.6
273.26181	0.5
275.09113	1.5
285.07343	0.5
317.10422	0.5
334.29489	0.8
335.12341	0.3
335.30173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.05516	0.5
57.03428	0.6
57.65358	0.2
67.01848	0.3
67.05495	1.1
69.03426	2.7
69.07085	0.5
71.00223	0.6
71.04992	0.7
77.03945	0.5
79.05490	0.5
79.64317	0.3
81.03419	4.1
81.07059	1.5
85.02906	1.6
91.05492	0.7
93.07053	0.7
95.04957	1.2
95.08603	1.1
97.02902	2.3
98.20776	0.3
99.04479	0.6
103.05469	39.5
105.04515	0.3
105.07037	0.8
107.04965	1.6
107.08587	0.5
109.02888	3.3
109.06510	0.3
109.10144	0.5
119.08551	0.5
121.06541	0.4
121.10129	0.4
127.03905	1.9
131.04932	100.0
132.05283	1.1
133.10127	0.3
137.13269	0.3
145.10175	0.4
147.11711	0.5
148.63928	0.3
149.05980	0.4
149.09683	0.4
159.08086	0.4
159.11716	0.3
183.11792	0.4
187.06071	0.4
255.55025	0.2
272.12955	0.3
275.09180	0.8
335.12524	0.9
335.26874	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	335.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.4
53.03934	1.4
53.68377	0.3
56.05020	0.8
57.07070	0.5
58.06590	0.7
58.86319	0.3
64.17572	0.3
69.03436	2.1
69.84265	1.6
71.04995	0.5
74.07307	0.3
80.56546	0.3
81.03425	3.5
85.02893	1.8
88.07640	3.6
89.07936	0.3
95.04987	0.6
97.02909	2.3
99.04456	0.5
103.05474	37.1
104.05824	0.4
109.02911	3.0
121.13238	0.3
127.03889	1.6
131.04936	100.0
132.05289	1.2
132.10223	1.2
164.01888	0.3
179.30322	0.4
242.24811	1.8
243.25201	1.7
275.09161	1.3
285.89948	0.4
286.27457	0.4
287.27866	0.6
334.29581	5.8
335.11420	0.4
335.18323	1.3
335.29865	7.1
344.17230	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
69.03438	2.2
69.43727	2.7
75.15107	0.3
77.03930	0.7
81.03431	2.7
85.02885	1.5
97.02898	2.7
99.04439	1.1
99.13284	0.3
103.05472	35.7
105.04483	0.4
109.02870	3.1
127.03915	1.4
131.04932	100.0
132.05257	1.1
149.06004	0.6
185.12524	0.3
275.09131	1.4
305.05490	0.4
315.34891	0.3
328.01700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.2
51.02388	0.5
53.03949	1.2
55.05509	0.3
57.03426	0.5
61.02899	0.1
65.57980	0.1
67.01870	0.2
67.05500	1.1
67.67725	0.1
69.03432	2.6
69.07058	0.3
70.68987	0.3
71.04988	0.4
77.03938	0.5
79.05498	0.5
81.03419	3.4
81.07050	1.0
83.54800	0.1
85.02905	1.5
85.96419	0.1
91.05473	0.4
93.07029	0.7
95.04990	0.8
95.08607	0.8
97.02888	2.2
98.98457	0.4
99.04452	0.6
102.04667	0.2
103.05467	39.0
104.05788	0.3
105.04482	0.3
105.07047	0.3
107.04961	0.8
107.08593	0.4
109.02878	2.8
109.10166	0.3
119.08603	0.2
121.10187	0.2
123.11736	0.2
127.03941	1.6
131.04930	100.0
132.05258	1.0
133.10106	0.3
134.77980	0.1
135.11687	0.2
144.08109	0.2
145.10188	0.2
149.05978	0.4
159.63576	0.2
161.13248	0.2
169.04973	0.2
173.13229	0.2
187.05911	0.2
216.50381	0.2
248.65796	0.1
275.09067	1.2
278.66403	0.1
335.11319	0.3
335.22137	0.2
335.25827	1.5
342.52887	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	335.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.6
53.03941	1.4
54.87325	0.3
66.91691	0.3
69.03436	2.4
69.85896	1.7
71.04995	0.4
81.03420	3.2
84.30920	0.3
85.02929	1.4
95.04990	0.5
97.02905	2.6
99.04453	0.6
103.05476	36.0
105.04543	0.3
109.02899	2.6
114.06656	0.3
127.03973	1.6
131.04938	100.0
132.05286	0.9
139.39722	0.3
149.06075	0.6
158.88399	0.3
180.66554	0.3
275.09229	1.3
335.11438	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
56.05019	1.5
57.07061	1.0
60.04531	1.2
63.60248	0.9
67.05474	0.8
68.99786	1.3
69.03429	1.9
70.06599	8.0
71.50015	0.7
71.50491	1.3
72.04508	3.2
72.08147	3.4
74.06104	1.0
84.04495	2.4
84.08148	5.7
84.28546	0.8
85.02905	2.9
85.06522	1.7
86.09715	4.3
87.00821	1.2
87.04476	1.6
89.02406	7.8
91.05473	2.8
97.02873	1.4
98.97562	1.0
100.03978	3.8
109.02848	1.0
110.07162	2.4
113.02343	2.3
115.05441	3.5
117.05757	3.7
117.07025	1.5
118.05154	4.2
118.06550	34.5
120.08115	1.5
127.03878	1.1
127.07552	1.2
129.07101	0.8
129.10239	3.2
130.06531	3.0
131.03419	11.3
132.08104	63.0
142.06519	3.0
143.07312	4.3
144.07014	1.7
144.08098	21.7
145.08595	1.4
146.06020	78.7
147.06270	1.2
148.05984	1.0
158.09657	0.9
159.09140	1.0
170.06009	6.5
186.04021	1.2
188.07082	100.0
189.07413	1.6
199.08568	1.1
204.05049	8.8
231.11259	2.9
245.09299	1.5
275.09604	0.9
289.11746	5.5
335.08780	1.4
335.12494	16.4
335.16162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.0
57.03428	0.5
58.24137	0.4
66.92994	0.4
69.03421	0.8
70.92890	0.6
70.93227	0.7
81.96970	0.4
85.02898	1.5
97.02881	1.2
98.97599	2.4
103.02453	0.7
107.04968	2.7
108.05315	0.8
110.97511	0.5
116.98608	0.5
123.05560	1.6
127.03951	0.6
128.98653	0.5
130.08633	0.5
132.95839	0.8
137.05974	0.9
155.01935	0.5
156.03331	1.7
168.03362	1.7
173.07864	5.4
174.04376	0.8
174.96864	0.5
186.04388	3.9
191.07706	0.6
194.97490	0.5
201.00725	0.5
204.05493	0.8
219.01866	0.6
224.01608	0.5
227.57062	0.4
234.99074	0.9
242.18680	0.4
267.75977	0.4
279.10126	1.3
293.10535	0.4
297.11249	2.4
300.57846	0.4
335.13135	100.0
336.13602	1.0
352.92929	0.5
354.07425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05484	1.2
67.05506	6.5
67.70521	0.8
69.03421	1.2
69.75770	1.9
69.76181	2.9
70.06587	2.7
79.05479	0.9
81.07061	2.4
84.08138	0.9
86.09717	2.4
88.89552	0.8
91.05460	2.8
93.07030	2.1
94.06561	5.8
95.08595	1.0
105.07034	1.6
107.08608	2.4
108.04568	0.9
108.08125	1.1
109.10124	0.9
110.07137	1.1
111.04437	1.1
117.81351	0.8
119.08555	1.2
120.08086	1.7
121.10152	0.9
122.06030	15.1
133.10139	1.5
136.07587	62.4
137.05988	1.7
140.07079	1.1
145.10117	1.0
147.11694	1.1
148.25204	0.9
159.11681	1.5
161.06052	1.2
164.07074	100.0
165.07318	1.1
182.08139	81.2
183.08546	1.5
260.08081	0.8
317.11124	1.5
320.10709	1.0
335.12778	3.3
335.18356	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	5.1
55.05270	2.2
55.05515	22.8
57.03204	1.4
57.03443	21.4
57.07066	6.2
62.55679	1.4
65.03928	3.0
65.86967	1.2
67.05509	100.0
67.65112	1.3
69.07071	19.4
69.39139	6.1
69.39560	5.0
71.04976	3.7
71.08627	2.6
72.15604	1.3
75.78575	1.3
77.53054	1.2
79.05499	45.2
81.07060	85.6
83.04963	1.7
83.08207	1.4
83.08627	12.3
85.06539	3.1
87.43699	1.2
91.05486	27.2
92.78352	1.4
92.78932	1.3
93.07048	52.8
95.04962	3.9
95.08611	74.9
97.06534	3.1
97.10182	4.2
99.08062	2.7
99.11696	1.3
105.07034	16.4
107.08601	28.0
109.10162	27.9
111.08028	1.6
111.11771	2.0
117.07010	5.4
119.08585	10.6
121.10155	21.9
123.11708	9.3
131.08580	8.9
133.10110	10.0
135.11691	15.2
137.13324	2.7
145.10088	6.6
147.11696	6.3
149.13206	7.8
159.11693	5.6
161.13297	5.1
163.14827	3.7
173.13277	2.8
175.14890	2.2
177.16403	1.7
187.14828	2.1
243.21092	3.6
261.22079	7.8
318.26929	1.4
335.25821	89.6
336.26212	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03931	2.7
55.01848	1.8
55.05269	1.4
55.05514	16.4
57.03439	20.9
57.07071	2.4
60.54060	0.9
65.03934	1.5
67.05508	68.4
69.07071	14.1
70.82750	2.6
71.04994	1.2
77.03900	1.5
79.05498	37.3
80.50819	1.0
81.07061	80.7
83.04994	2.0
83.08623	9.3
90.11832	1.0
91.05482	19.3
93.07050	44.1
95.04950	2.8
95.08611	61.3
97.06521	2.4
97.10155	3.5
99.08074	1.4
105.04533	1.2
105.07034	14.7
107.08602	25.3
109.06553	1.7
109.10157	26.2
111.08057	1.0
117.07011	5.0
119.08592	9.9
121.10147	22.4
123.08060	1.3
123.11702	9.6
125.09636	1.1
129.05504	2.8
131.04953	1.6
131.08571	8.6
133.10146	9.7
135.11699	18.3
137.09630	1.5
137.13254	3.4
145.10133	7.4
147.11655	9.0
149.13272	11.8
159.11719	7.1
161.13257	7.7
163.14833	5.9
165.12770	1.1
173.13281	5.8
175.14824	2.4
177.16405	2.2
185.79796	1.0
187.14790	3.3
189.16278	1.1
201.16412	1.8
233.22697	1.3
243.21098	13.4
261.22159	12.6
291.10522	1.2
317.24792	3.1
320.40613	1.1
335.25818	100.0
336.26047	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	4.3
55.01859	1.3
55.05272	1.6
55.05514	25.4
57.03439	24.9
57.07056	2.6
65.03939	3.8
67.05508	100.0
69.07072	19.9
69.38354	1.0
70.76496	1.9
70.76813	1.6
71.04973	3.2
79.05495	48.1
81.07059	92.1
83.04967	3.1
83.08608	7.6
85.06532	3.6
91.05488	26.2
91.06032	2.7
93.07050	49.8
95.04982	3.1
95.08613	67.9
97.06521	2.0
97.10165	4.1
99.08121	1.3
105.04487	1.3
105.07045	14.5
105.85245	1.2
107.08594	25.7
109.06514	2.5
109.10163	27.6
111.08070	1.7
117.07018	4.5
119.08578	12.4
121.10155	18.8
123.08071	2.7
123.11693	10.0
131.08607	6.6
133.10136	8.7
135.11691	16.0
137.09689	1.7
137.13252	3.6
145.10135	3.8
147.11726	6.0
149.13249	8.3
159.11658	5.4
161.13263	4.4
163.14828	3.9
173.13280	4.8
175.14862	1.4
177.16339	1.3
187.14833	3.9
205.13684	1.3
210.26978	1.3
217.28011	1.3
243.21103	4.9
261.22092	9.9
297.43121	1.2
335.25821	95.3
336.26175	1.6
351.11768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1919
Annotation	Phe Ile Gly
Peak:m/z	Relative Intensity
51.23161	0.5
52.21065	0.4
53.03966	0.5
56.05031	0.6
58.06578	0.7
60.04514	1.0
69.07071	6.2
70.06595	18.4
72.08156	1.7
72.77927	0.5
74.06081	1.1
84.08151	3.4
85.08469	0.7
86.09708	80.0
87.10033	0.7
91.05484	0.9
93.07041	1.2
98.21500	1.7
103.05457	4.9
105.94729	0.5
108.28135	0.6
110.07181	1.3
112.08721	0.9
112.74663	0.5
114.09175	0.5
115.08694	0.6
116.07084	0.5
120.08111	100.0
121.08462	0.8
128.52612	0.6
129.10226	1.7
130.06497	0.5
142.93555	0.5
144.15530	0.4
144.32465	0.5
153.79916	0.5
170.86748	0.5
174.09140	3.4
183.14914	1.8
184.22728	0.5
189.12387	5.6
201.41284	0.6
215.17552	0.5
223.11871	0.5
233.16495	44.2
234.16846	0.8
241.13051	0.6
243.16617	0.5
261.16019	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	337.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52984	1.3
56.96566	53.5
57.23824	1.3
60.30648	1.4
70.44395	3.1
70.74240	1.4
70.97736	2.5
70.98121	46.6
71.95261	5.4
72.93771	1.7
72.96032	2.9
84.96025	7.7
86.97590	1.5
88.99166	16.3
98.97588	100.0
99.65629	1.3
100.99144	1.9
103.59653	1.5
107.00217	1.4
110.97575	30.5
112.99119	5.7
115.00698	2.9
116.98622	21.6
124.95476	17.2
128.97699	2.3
128.98607	40.3
131.00174	3.5
133.01691	1.7
134.99619	4.3
140.98569	5.6
142.96544	10.9
143.00108	1.6
144.98083	2.4
146.99663	30.7
152.94984	7.7
152.98630	2.4
156.98083	4.1
158.99673	6.1
160.97517	1.5
165.00710	6.7
170.96036	29.6
170.99677	7.1
172.97604	3.5
173.01228	3.1
174.99167	9.7
177.00722	2.5
184.97598	14.6
186.99127	4.7
188.97078	23.2
189.00700	27.4
191.02263	2.1
193.00089	2.3
193.01616	1.8
198.99188	2.5
201.00682	2.8
202.98645	17.8
205.00195	10.1
206.92062	1.5
206.98151	5.2
207.01793	11.4
212.97028	11.9
214.98486	1.9
217.00183	9.2
219.01744	8.1
220.99722	10.5
223.01233	5.0
230.98134	31.5
234.99043	2.3
235.01241	4.6
237.02823	5.2
244.99686	27.7
247.01111	2.9
248.99123	8.7
249.02855	5.6
263.00769	44.5
267.03854	2.2
277.02313	25.0
277.05862	5.0
281.01785	4.6
295.03397	5.5
295.06989	12.9
305.01715	3.2
337.04977	1.9
337.08530	3.0
344.15637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01122	2.5
69.87251	12.3
73.26461	2.2
98.20780	2.9
160.01012	2.5
337.10916	100.0
338.11304	3.5
345.15347	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94298	0.8
56.96569	60.6
57.03425	1.5
61.02931	1.7
69.03429	2.0
70.06605	1.8
70.86625	1.2
70.98126	54.6
71.05013	1.5
71.95260	6.9
72.93781	1.4
72.96055	2.2
73.02926	1.5
74.97601	1.1
81.03403	0.7
84.04481	0.9
84.08143	1.7
84.96041	7.7
85.02911	4.4
86.97588	1.1
88.98638	1.1
88.99168	15.9
97.02897	2.2
98.97589	100.0
99.04380	0.7
100.99146	1.1
101.00890	1.0
107.00211	1.1
110.97576	35.9
112.99139	11.8
115.00710	2.8
115.02472	1.1
116.98627	25.7
119.00201	0.9
124.95484	14.3
124.99146	1.1
126.97066	1.3
127.00700	1.8
127.03945	1.9
128.98615	45.6
129.10236	1.1
131.00165	6.6
132.95825	2.5
133.01744	1.1
133.03436	1.3
134.99687	4.2
140.98622	7.7
142.96555	9.5
143.00191	2.2
144.95877	1.3
144.98122	1.9
144.99509	1.1
145.01723	2.3
146.99654	30.7
149.01219	2.3
152.94958	11.4
152.98540	1.7
154.96515	1.8
155.97264	1.2
156.98119	4.4
158.97438	1.3
158.99657	9.9
160.97664	1.3
165.00735	8.7
170.96016	30.4
170.99640	7.0
172.97571	3.9
173.01257	4.4
173.02669	0.8
173.98396	1.7
174.96924	1.2
174.99173	8.8
175.00545	0.9
175.02759	2.3
177.00726	3.4
184.97585	14.0
184.99117	1.1
186.96915	1.2
186.99162	5.3
187.02699	1.3
188.97086	28.7
189.00713	24.2
190.98627	1.7
191.02304	3.2
193.00197	2.9
193.01649	3.4
193.03773	1.7
198.99176	2.4
201.00706	1.7
202.98643	17.1
203.02356	0.8
205.00200	10.8
205.03752	0.7
206.98193	6.5
207.01759	11.6
211.04808	1.0
212.97083	12.6
214.98671	2.6
216.98207	1.0
217.00220	10.1
217.03665	1.1
219.01772	8.8
220.99710	7.9
223.01274	2.9
224.08992	0.8
225.02759	1.0
226.98579	1.1
227.04062	1.0
230.98132	37.0
232.99757	2.9
233.03307	1.1
234.99055	2.3
235.01289	5.1
237.02824	4.6
239.00745	0.9
244.99706	33.2
247.01093	1.3
248.99190	8.6
249.02869	4.2
253.99712	0.9
256.05109	0.8
263.00763	56.8
267.03857	1.6
277.02368	29.6
277.05939	3.9
281.01819	5.2
281.04703	0.8
286.02518	1.1
295.03387	6.0
295.07056	7.5
305.01794	5.6
337.05624	2.0
337.08868	19.5
355.09186	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.092
Annotation	Flagranone C
Peak:m/z	Relative Intensity
51.55571	3.3
55.01872	12.8
57.03441	3.8
60.04512	4.2
61.02924	13.4
69.03432	5.6
69.07072	4.5
70.06599	30.6
71.01358	4.9
72.08160	17.4
73.02916	3.3
81.03409	5.4
83.01353	5.3
84.08147	27.3
85.02907	11.3
86.09716	21.2
91.05485	11.4
95.04973	3.8
97.02851	3.9
98.21558	6.9
101.02409	7.9
103.05453	28.5
105.07032	14.5
107.04953	7.7
109.02842	7.8
110.07166	8.8
111.50887	3.2
111.98083	4.0
115.05488	13.0
116.07092	6.8
117.07064	7.3
118.04173	16.3
120.08089	5.2
127.30768	3.6
128.06151	4.2
128.10699	17.8
129.07004	6.0
129.10262	11.5
130.04169	8.4
131.04939	100.0
131.08594	3.5
133.06517	8.1
139.03868	3.7
141.06998	23.1
143.04942	8.2
144.05745	5.6
145.06488	13.1
146.03598	13.0
146.07350	3.5
147.04416	14.1
149.05940	4.1
155.03389	6.1
157.02936	4.6
157.06506	14.8
158.06059	4.0
158.07266	4.1
159.04430	17.6
159.08096	4.9
160.05206	4.7
161.06000	36.7
163.03958	7.2
167.07001	5.6
168.05772	3.9
169.06494	21.1
171.04463	7.1
173.05983	10.4
174.03094	7.5
175.03894	11.0
175.07536	7.7
176.04742	13.5
177.05463	7.5
178.06223	7.0
181.04903	5.5
183.04504	4.7
184.05345	4.5
185.05959	10.3
186.06766	11.0
187.03923	47.8
187.07574	8.7
188.04758	10.8
189.01820	14.8
189.05481	27.0
191.03427	6.0
191.07028	72.8
191.08536	2.9
193.08601	11.3
197.06035	23.9
199.03879	7.1
200.04675	4.9
201.05481	10.1
201.09184	6.4
202.06372	3.7
203.03406	14.7
203.07089	5.9
204.04163	50.1
205.04982	23.1
205.08607	9.8
206.05746	7.9
213.05511	10.0
214.06314	6.6
215.07071	25.5
216.04195	9.4
217.04962	31.5
217.08569	7.9
218.05775	12.6
219.06543	83.4
220.03854	5.0
221.08095	8.8
225.05452	3.8
229.04944	8.4
229.08607	10.4
230.05702	4.7
231.02876	11.4
231.06570	13.9
232.07379	5.7
233.08153	13.6
234.05200	6.4
235.06017	16.1
239.07115	4.4
241.05000	4.6
243.03297	3.6
243.06474	16.7
245.04425	37.0
245.08127	15.4
247.06032	4.2
247.09677	14.8
249.07603	12.9
257.08087	26.8
259.06018	9.6
260.06879	33.0
261.07526	5.6
262.04691	18.8
263.05499	20.9
273.07608	18.4
275.09143	82.5
277.07080	93.2
287.05527	13.1
289.07123	9.1
291.08652	8.1
301.07175	14.6
319.04535	7.2
319.08151	28.8
337.09232	33.9
337.13956	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	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03933	2.8
55.01876	1.6
55.05514	36.3
57.03445	23.9
57.07075	7.0
65.03941	2.3
67.05509	79.9
69.07073	45.9
70.34053	3.3
71.04990	1.5
71.08623	2.4
79.05502	19.6
81.07062	78.9
83.04968	1.9
83.08155	1.6
83.08625	22.2
85.06525	1.2
85.10176	0.9
91.05486	12.7
92.00187	0.9
93.07053	19.8
95.04985	1.5
95.08613	61.1
97.06522	5.1
97.10177	12.8
98.20797	1.0
99.08105	2.5
105.07028	9.7
107.08617	10.8
109.10162	25.5
111.08045	1.9
111.11716	3.2
113.09658	0.9
119.08607	8.5
121.10152	9.5
123.11731	10.8
125.09647	1.3
125.13287	1.0
131.08588	1.2
133.10130	7.7
135.11681	5.7
137.09570	1.8
137.13310	4.8
139.11124	1.1
140.59070	0.9
147.11714	5.3
149.13271	4.1
151.11139	1.1
151.14824	2.2
161.13322	4.1
163.14816	3.2
165.16344	1.3
167.14354	1.1
170.09779	1.0
175.14818	3.1
179.14377	0.9
189.16475	1.6
201.66083	0.8
203.18025	0.9
245.22621	3.8
258.03156	0.9
263.23672	7.3
337.27386	100.0
338.27780	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0866
Annotation	Milletenin B
Peak:m/z	Relative Intensity
51.02380	0.2
53.03948	1.2
55.01631	0.2
55.01861	0.7
57.03431	0.2
60.87949	0.1
65.03936	1.3
67.05504	1.4
68.99789	2.0
69.03427	1.1
70.06583	0.3
71.01348	0.2
71.04987	0.2
71.50801	0.2
71.51445	0.1
77.03937	0.4
79.01863	0.1
79.05498	3.3
80.70557	0.1
81.03420	5.2
85.02898	0.8
86.09753	0.1
89.03917	0.9
91.05485	10.7
93.03386	0.8
93.07034	0.2
95.04974	9.3
97.02896	0.3
99.04458	0.4
101.81994	0.1
105.03381	0.6
105.04504	0.3
105.07021	0.3
107.01321	0.3
107.04962	4.4
109.02884	8.0
111.00790	0.2
111.02690	0.1
111.04439	0.2
115.05453	0.2
117.03396	2.3
119.04942	5.2
120.08080	0.2
121.02873	3.2
121.06527	0.4
123.04430	4.0
127.03894	1.6
133.02866	0.2
134.03612	0.3
135.04420	9.1
137.06029	0.2
145.02850	6.0
147.04417	12.3
149.02348	1.4
149.05968	0.8
151.03912	1.7
159.08162	0.1
161.06047	0.3
162.03072	0.2
163.03911	24.2
165.05533	0.2
167.03409	0.2
171.04417	0.2
175.03926	0.2
177.00269	0.2
177.01857	5.9
177.05467	8.1
178.02531	0.2
181.04959	0.9
189.05489	0.3
191.03398	60.2
192.03761	0.6
193.04962	0.2
195.02904	3.8
195.06583	0.4
207.06453	0.2
209.04422	2.0
218.07439	0.2
219.02892	100.0
220.03220	0.9
235.07443	0.2
237.03925	2.7
245.04492	0.3
247.07654	0.1
269.08069	0.5
279.10272	0.3
293.08362	0.2
297.07532	1.7
307.09607	0.3
311.09134	0.6
311.12509	0.1
321.09796	1.5
339.08640	19.7
339.12091	1.1
340.09042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
52.09801	0.2
53.03950	1.0
55.01878	0.8
65.03940	1.1
65.13529	0.1
67.05508	1.2
68.99781	1.9
69.03430	0.8
69.97000	0.5
70.06580	0.5
71.04994	0.1
76.05239	0.2
77.03939	0.3
79.05497	3.7
79.05958	0.2
80.08097	0.1
81.03423	4.4
83.04998	0.2
84.08134	0.4
85.02899	0.5
86.09703	0.2
87.00838	0.1
89.03917	0.9
91.05487	5.9
93.03399	0.8
93.07059	0.2
95.04977	9.4
96.08207	0.1
97.02866	0.2
99.04465	0.2
103.05491	0.2
105.03387	0.4
105.04517	0.4
105.07008	0.3
107.01276	0.2
107.04970	4.4
109.02891	8.1
111.04441	0.4
113.11588	0.2
117.03391	2.1
119.04958	4.3
121.02884	3.7
121.06477	0.3
123.04441	4.3
127.03926	1.2
129.10243	0.2
131.04976	0.1
133.02827	0.1
133.06459	0.1
134.03728	0.2
135.04430	8.4
137.05940	0.3
145.02850	4.8
147.04420	12.3
149.02347	1.2
149.05995	0.7
151.03917	1.9
163.03917	21.9
164.04182	0.2
167.03465	0.5
173.02385	0.2
175.03957	0.2
177.00275	0.3
177.01855	5.7
177.05479	6.6
181.04945	0.8
189.05521	0.3
191.03406	55.4
192.03755	0.5
195.02919	3.4
195.06512	0.2
201.01772	0.2
209.04453	1.7
218.07405	0.2
219.02902	100.0
220.03224	0.9
231.06313	0.2
234.06444	0.2
237.03961	2.9
245.04430	0.3
247.07703	0.2
251.07289	0.2
269.08035	0.3
293.08023	0.2
297.07507	1.8
307.09518	0.3
311.09116	0.8
311.12650	0.2
321.09790	1.4
339.08652	21.2
339.12064	0.9
340.08972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57858	0.9
55.01879	1.1
58.42796	0.9
60.04527	1.9
70.06592	5.0
71.50815	1.7
81.07072	1.5
84.08134	6.2
85.02882	2.9
86.09700	1.3
91.05429	1.5
95.01344	1.4
97.02888	1.2
98.97572	2.7
107.04964	1.7
119.04922	4.6
123.04409	1.2
129.10262	2.0
132.95813	1.3
136.07625	1.7
137.05992	5.8
147.04428	14.7
158.99606	1.0
163.03914	1.3
177.05347	2.3
177.06676	1.6
185.04233	1.8
207.06483	1.2
321.14355	1.7
339.10535	100.0
355.14349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1228
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03936	2.0
55.01871	5.5
55.05500	1.1
57.03417	1.3
58.12011	0.8
65.03934	2.0
67.05505	1.0
68.99786	1.1
69.03412	3.4
70.66432	2.6
71.04971	1.3
73.31199	1.0
75.30350	0.9
79.05485	2.8
81.03407	6.7
81.07043	2.3
85.02926	2.7
88.91124	1.0
89.03905	2.5
91.05477	4.1
93.07033	1.7
94.04221	1.5
95.01350	1.5
95.04939	1.3
95.08601	1.2
97.02894	1.7
103.05463	3.7
105.03406	1.0
105.07043	4.2
107.04943	2.8
107.08606	1.0
109.02867	4.2
109.06512	2.6
110.03656	2.6
111.04430	1.3
115.05446	2.6
117.03369	8.3
119.08592	1.1
121.02914	1.1
122.03631	2.8
125.02398	0.9
125.05997	4.5
127.03915	2.5
128.06186	1.2
128.71161	0.9
129.07016	2.2
131.04942	2.9
131.08546	1.2
133.06523	2.1
133.10114	1.0
135.04413	1.3
137.05978	22.6
144.05699	1.7
145.02837	19.5
145.06493	1.1
145.10159	1.1
146.03656	2.4
147.04437	1.9
149.06021	4.4
151.03859	1.9
153.05496	2.4
155.04944	3.2
159.08066	2.0
159.11594	0.9
161.05975	17.7
162.06715	2.1
163.07574	1.9
165.05479	15.0
165.06993	4.4
171.04477	1.6
172.05193	1.5
175.07593	2.0
176.06229	1.5
177.05481	33.3
177.06857	1.3
178.07771	3.0
179.08560	3.4
179.49420	1.1
181.06392	1.0
183.04373	1.4
184.48824	1.0
185.06015	1.4
186.06801	2.0
187.07599	3.3
189.06970	9.2
190.07761	10.6
191.08546	12.2
192.09244	1.3
193.06509	4.1
194.07281	2.3
195.06583	1.3
195.08159	1.6
201.07013	1.6
202.07774	5.6
203.08521	6.3
204.01047	1.0
205.06508	7.0
205.10130	1.6
206.07304	3.4
207.08026	10.9
208.08859	3.8
209.05965	1.0
209.09560	1.2
210.06680	1.0
211.07620	1.8
215.06914	4.4
217.06523	4.1
218.07280	19.7
219.08058	21.4
220.08717	4.5
221.06047	8.5
221.09636	2.9
222.06776	3.0
223.07561	3.7
225.09000	2.2
229.06407	6.8
230.07315	2.2
231.08070	4.5
232.08868	1.6
233.06009	3.2
233.09544	5.5
234.06720	5.5
234.10451	1.3
235.07542	19.3
236.08258	10.2
237.05569	1.2
237.09123	5.3
238.06297	1.0
238.09883	1.6
239.07024	1.8
240.07690	1.0
245.06096	3.7
246.06737	12.5
247.07539	24.4
248.08284	5.6
249.05449	5.5
249.09038	8.6
250.06152	2.9
250.09888	6.7
251.07051	4.4
251.10651	11.0
252.07857	1.2
253.08598	6.2
254.09198	1.0
256.11038	1.2
257.05957	4.1
258.06689	1.4
259.07559	4.1
261.06183	1.8
261.09106	28.2
262.06360	1.7
262.09909	4.9
263.07013	16.0
263.10825	1.2
264.07791	16.3
265.08612	12.6
265.11984	6.1
266.05884	1.1
267.10040	2.2
269.08060	1.5
270.08878	1.3
273.05597	1.5
274.06219	8.5
275.07037	13.1
275.10605	2.6
276.07684	2.1
277.05441	1.9
277.08603	9.7
278.09311	11.5
279.10184	24.7
280.07736	1.6
280.10840	9.2
281.08130	7.0
281.10843	1.0
282.08862	1.1
283.13336	1.2
289.08575	25.7
290.09372	7.7
291.06540	4.4
291.09964	2.1
292.07349	5.1
292.10330	1.0
293.08185	4.4
293.11734	17.1
294.08893	2.2
295.09604	5.7
296.10477	6.5
303.10278	2.0
304.10913	1.4
305.08234	1.7
306.08871	13.1
307.09631	33.5
308.10333	10.2
309.07797	2.2
309.11282	3.1
311.12784	16.0
321.11285	37.1
323.09122	1.3
324.09802	4.6
339.12283	100.0
340.12848	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	339.123
Annotation	CHEBI:67529
Peak:m/z	Relative Intensity
51.46708	1.0
53.03941	1.7
54.89105	1.0
55.01880	2.5
55.05507	1.2
65.03941	3.1
69.03410	4.0
70.68278	3.6
72.95110	1.1
81.03418	11.9
81.07088	1.5
83.05000	1.3
85.02908	7.3
89.03913	5.1
91.05478	4.0
93.07069	1.5
95.04985	1.6
99.04456	2.3
105.07026	2.9
107.04952	4.9
109.02924	6.0
110.03667	2.1
111.04398	1.6
115.05492	2.8
117.03410	12.7
117.07027	1.9
119.08594	1.9
121.10210	1.4
125.05993	6.5
127.03912	2.7
127.10979	1.1
128.06236	1.4
129.07037	1.9
131.04968	1.8
132.05713	1.2
134.03589	1.8
135.04378	1.6
137.05969	8.4
141.62521	1.2
144.05701	1.5
145.02858	36.1
145.06503	2.8
149.05952	5.9
151.03917	3.5
153.05501	3.4
155.04947	1.8
159.08110	8.1
161.05927	1.3
165.05690	1.6
165.06992	5.6
171.04446	3.4
175.07520	1.5
177.05487	56.6
178.07780	3.4
179.04962	1.6
179.08575	3.4
185.06010	6.3
186.06816	6.4
187.07620	1.7
189.06947	6.3
190.07785	8.7
191.08548	12.8
193.06494	5.7
194.07275	1.9
195.06523	1.6
195.08118	2.5
202.07803	4.5
203.08585	4.6
204.09303	1.6
205.06541	8.2
206.07362	5.0
207.08067	9.1
208.08867	7.4
210.06912	2.4
214.06326	7.7
217.06482	2.4
218.07309	14.3
219.08064	27.0
220.08829	11.5
221.06004	13.2
221.09628	4.7
222.06844	1.2
223.07571	2.1
223.11160	1.9
225.09140	2.3
229.06584	1.5
229.08650	17.2
231.08090	2.0
233.06026	4.6
233.09598	4.8
234.06725	6.6
235.07544	22.3
236.08345	20.4
237.09146	4.8
238.06358	2.3
239.07068	3.0
245.05959	2.1
246.06741	6.5
247.07535	19.7
248.08313	5.6
249.05515	7.4
249.09084	7.5
250.06334	3.2
250.09930	2.7
251.07109	2.9
251.10693	31.8
253.08665	5.9
260.04797	1.4
261.09149	5.2
262.06274	2.2
263.07089	15.2
264.07837	37.9
265.08600	14.4
266.05731	1.7
266.09177	1.6
267.06689	1.5
267.10037	1.7
274.06061	1.5
275.07089	7.6
276.07864	2.3
277.05167	1.6
277.08649	5.6
278.09317	11.8
279.10165	32.0
280.11011	3.3
281.08093	9.9
282.08823	1.5
289.08600	2.2
291.06610	2.2
292.07303	8.5
293.08133	8.4
293.11346	1.5
294.09152	2.2
295.09732	2.1
296.10425	4.6
306.08899	3.1
307.09650	66.4
308.10410	12.1
309.07736	1.8
311.09177	2.0
311.12802	42.5
321.09537	9.9
324.09894	9.3
339.12299	100.0
340.12622	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	339.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.7
55.05513	20.3
57.03434	6.8
57.07070	6.5
62.99925	1.8
65.03947	3.3
65.47936	2.3
67.05511	94.3
69.03423	2.8
69.07068	15.0
71.05003	12.2
76.36383	1.7
79.05501	57.3
81.07065	100.0
83.04975	3.4
83.08624	5.8
85.02884	2.6
85.06549	7.0
88.10514	1.9
91.05491	35.8
93.07050	80.0
95.04971	4.6
95.08614	89.3
97.02850	2.1
97.06528	4.1
97.10172	5.4
99.08089	3.9
105.07040	46.3
107.08601	54.6
109.06534	5.3
109.10165	49.8
109.10738	1.2
111.08102	6.7
113.09659	3.1
117.07031	15.8
118.29346	2.1
119.08591	36.6
121.10151	55.5
123.11717	18.7
125.09592	3.4
125.57574	1.8
129.06938	1.9
131.08580	30.2
133.10126	28.1
135.08061	2.1
135.11703	40.4
136.51151	1.8
137.09625	2.6
137.13275	6.6
139.11180	3.6
143.08600	5.9
145.09058	3.4
145.10132	39.3
147.11710	27.4
149.13269	24.2
151.11217	2.3
156.09358	2.3
157.10132	8.1
159.11732	38.8
160.12422	3.7
161.13269	15.1
163.14850	7.9
169.10104	2.8
171.11693	5.2
173.13278	23.2
175.14824	4.5
177.05502	4.2
177.12859	2.4
183.11684	2.8
185.13283	4.6
187.14807	9.1
189.16403	8.3
191.14351	2.2
197.13297	3.1
199.14784	4.8
201.16447	6.6
213.16406	5.6
219.21109	6.7
223.14713	2.2
225.16333	3.7
229.19560	25.6
247.20601	92.5
248.20898	2.2
255.21117	4.8
259.13849	2.4
265.21768	3.6
281.11746	4.8
281.22678	3.4
293.11609	3.1
295.53723	2.0
307.09656	5.5
311.12891	2.1
311.18835	2.0
321.24402	7.3
339.12119	4.6
339.19653	2.4
339.26379	27.2
340.16315	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	339.2533
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03940	3.4
55.01848	1.9
55.05510	16.7
57.03439	7.2
57.07065	3.7
65.03937	3.7
67.05507	94.6
69.07071	14.6
69.85850	7.5
71.04996	2.8
73.79637	1.4
79.05498	43.1
81.07059	100.0
83.04979	2.1
83.08627	10.3
85.06538	2.9
91.04981	1.9
91.05490	23.0
93.07048	61.2
95.05006	1.9
95.08611	94.0
97.06527	3.7
97.10186	3.6
98.21490	1.6
99.08107	2.8
103.05501	1.3
105.07032	21.4
106.04163	1.4
107.08601	47.0
109.10162	54.0
111.08068	1.6
111.11738	1.4
113.09641	2.1
117.07037	10.7
119.08582	23.3
121.10150	37.8
123.08080	2.8
123.11716	18.8
125.09651	1.4
129.06984	1.6
131.08568	19.2
133.10132	19.3
135.11694	33.6
137.09663	2.4
137.13251	5.2
139.11186	2.5
142.94231	1.3
145.10132	21.9
147.11685	13.0
149.09608	1.6
149.13260	23.2
149.86543	1.2
151.11137	3.0
157.10104	1.6
159.11710	19.2
161.13266	5.9
163.14784	7.6
165.12750	2.9
173.13264	15.1
175.14803	1.6
177.05363	1.6
177.12773	1.9
185.13158	1.8
187.14848	5.3
191.14394	1.5
201.16371	2.4
202.47032	1.6
219.21065	4.5
229.19505	28.6
236.96257	1.2
247.20583	88.4
265.21710	5.5
307.09799	1.5
321.24167	11.8
339.12225	2.2
339.18906	1.3
339.25378	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	339.2685
Annotation	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
53.03924	4.1
53.33754	2.5
55.01868	3.4
55.05518	23.1
57.03438	6.4
57.07073	5.4
67.05513	72.2
67.88417	2.9
69.07067	20.4
69.51481	7.9
69.51917	13.0
71.04990	12.0
71.08614	3.3
79.05499	38.7
81.03426	3.5
81.06594	5.3
81.07058	80.6
83.08630	15.2
85.06538	4.7
91.05474	35.0
93.06487	4.6
93.07048	82.7
94.49769	3.7
95.04948	5.3
95.08610	100.0
97.06519	6.8
98.20766	6.0
105.07031	56.5
107.08601	54.3
109.06525	8.1
109.09478	4.6
109.10166	61.7
111.08063	10.4
113.09649	4.8
117.07023	13.3
119.07803	4.8
119.08593	56.3
121.10146	49.4
123.11727	18.2
125.09637	2.9
129.06978	2.9
130.07826	4.0
131.08575	31.0
133.10130	31.3
135.11726	27.0
137.05968	3.9
137.09587	5.6
137.13220	6.2
142.07793	3.3
143.08548	11.7
145.10110	41.0
145.86757	3.3
147.11696	37.1
149.13263	19.1
151.11194	4.0
153.12650	3.9
155.08478	2.8
156.09343	3.5
157.08835	3.9
157.10110	16.9
159.11720	45.2
161.13263	17.7
163.11226	4.0
163.14847	7.1
169.10152	7.1
171.11714	8.2
173.13280	23.3
175.14839	5.0
177.05447	5.2
183.11703	5.5
185.13280	10.5
187.14822	19.6
189.16418	14.7
197.13304	4.7
199.14864	6.7
201.16379	15.2
202.17316	3.4
203.17999	4.6
211.14784	5.6
213.16376	10.0
215.17990	4.2
219.21083	4.0
225.16391	5.0
227.17935	5.4
228.98996	3.2
229.19411	14.1
247.20622	54.7
255.21104	8.2
265.21716	5.7
281.22620	11.6
283.17007	22.7
321.25610	11.1
336.86917	4.1
339.12207	5.2
339.26956	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23302	2.3
50.81127	2.3
53.03944	4.1
55.05512	49.4
57.03445	15.3
57.07075	19.9
65.03944	2.6
67.05143	2.2
67.05505	47.7
69.07070	66.6
71.04979	17.6
71.08626	10.4
71.51963	2.7
79.05502	24.8
80.02685	2.8
81.03430	3.1
81.07057	87.5
83.04975	3.5
83.08623	42.9
85.06538	3.7
85.10188	4.9
91.05472	20.6
93.07048	57.3
95.04961	2.9
95.08610	81.6
97.06515	4.3
97.10174	23.2
99.08054	2.5
105.07031	58.3
107.08594	41.6
109.06518	4.4
109.09467	4.1
109.10158	43.1
111.08090	8.2
111.11743	6.3
117.07038	8.4
119.08582	57.7
121.09333	3.7
121.10140	35.9
123.11702	23.3
129.07028	3.3
130.07713	2.4
131.08575	21.6
133.10127	26.9
135.11690	23.1
137.09599	2.5
137.13263	7.4
139.11172	3.0
141.07095	2.2
142.07809	3.8
143.08545	9.3
144.09271	4.0
145.10135	39.4
147.11691	29.5
149.13268	17.3
156.09351	2.8
157.10138	22.8
159.11697	67.3
161.13284	19.5
163.14828	7.7
167.14313	3.3
169.10098	5.2
171.11674	14.6
173.13243	19.2
175.14827	8.6
177.16386	5.3
178.90434	2.3
183.11661	6.5
185.13281	11.2
187.14809	13.9
189.16397	13.4
197.13245	4.1
199.14850	12.0
201.16371	12.6
202.17253	2.9
203.17973	4.0
209.13179	3.3
211.14745	4.2
213.16344	21.2
215.17964	8.1
223.14830	2.9
225.16315	4.9
227.17950	8.8
229.19463	5.6
241.19519	3.7
243.21132	3.0
255.21112	9.5
257.22675	5.0
265.25452	2.5
281.22632	5.3
283.16977	5.3
283.24243	4.2
315.88000	2.3
316.99921	2.7
321.25653	3.9
322.31693	2.3
339.11984	3.0
339.29233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2684
Annotation	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
53.03941	3.5
55.05520	32.2
55.50669	1.8
57.07080	14.4
61.10655	1.8
65.03949	1.7
67.05179	3.0
67.05511	42.6
69.07075	42.6
71.05003	15.1
71.08630	6.9
71.52148	2.9
71.52527	2.3
74.26675	2.1
78.91615	1.9
79.05498	25.4
81.06586	4.5
81.07062	85.4
82.07386	3.5
83.08621	25.0
84.08917	2.7
85.06544	4.5
86.06053	2.2
91.05489	24.6
93.07051	63.4
95.04961	3.5
95.08611	100.0
96.08945	4.5
97.06543	4.4
97.10192	17.9
98.10547	3.2
99.08067	2.9
105.07036	72.6
107.08598	55.3
109.06510	6.9
109.10162	53.3
111.08099	12.2
111.11729	5.1
113.09696	2.4
117.07008	12.9
119.08589	80.9
121.10149	41.4
123.08117	2.6
123.11713	26.7
124.84525	1.9
128.06218	4.6
129.07011	3.8
130.07787	4.5
131.08574	38.0
133.10139	44.1
135.11688	25.2
137.09598	4.8
137.13266	7.1
142.07802	5.8
143.08591	22.7
143.31224	1.9
144.09386	4.2
145.10126	63.4
147.11691	38.5
149.13280	22.9
155.08696	2.7
156.09378	5.5
157.10139	36.7
158.10901	2.9
159.11703	77.9
160.12521	2.3
161.13272	30.8
163.11258	2.2
163.14825	14.0
169.10080	9.7
170.10873	2.8
171.11707	26.1
173.13272	33.3
175.13553	2.3
175.14830	14.3
177.16397	8.0
183.11681	7.4
185.13240	18.3
187.14832	43.1
187.16478	3.6
189.16408	27.0
191.17949	2.4
197.13304	5.5
199.14851	16.6
201.16440	17.4
203.17995	6.1
209.13281	2.4
211.14757	6.0
213.16383	35.9
215.18005	15.8
217.19482	6.5
223.14915	3.0
225.16451	5.4
227.17966	22.5
229.15942	2.4
229.19513	16.1
231.21089	2.7
239.18011	4.1
241.19453	8.8
243.21094	9.4
251.17976	3.0
253.19606	2.9
255.21075	19.7
257.22702	3.6
265.19583	3.2
269.22684	9.5
281.22488	11.4
283.20862	3.4
283.24146	6.9
297.25830	4.2
304.30844	2.3
321.25885	11.7
322.31747	2.5
339.26813	42.0
339.30478	89.8
339.34637	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	63.0
57.03430	8.7
57.07082	75.2
67.05507	41.8
69.07068	100.0
71.04990	5.2
71.08642	42.4
71.51823	11.2
79.05482	23.4
81.07063	51.8
83.08625	65.1
84.08947	8.4
85.06541	6.1
85.10188	32.5
91.05488	7.8
93.07035	37.0
95.08608	65.6
97.06525	14.3
97.10170	33.8
99.08092	5.7
101.06031	5.8
105.07037	14.4
106.63776	5.2
107.08596	35.2
107.92520	4.7
109.10148	41.4
111.08084	10.1
111.11697	13.6
119.08592	10.1
121.10146	36.4
123.11709	21.6
125.09603	12.2
129.84593	5.4
133.10138	14.1
135.11673	28.2
139.11200	10.4
144.54065	4.9
147.11691	9.4
149.13266	34.2
153.12718	13.3
157.10121	7.3
159.11693	7.1
161.13336	5.8
163.14828	16.0
163.87453	5.5
167.14389	6.1
167.18314	5.0
173.13327	6.1
177.16415	9.4
191.17888	6.5
219.20959	6.9
303.30469	18.7
321.31543	16.0
322.31918	8.7
339.29376	33.9
339.34183	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82814	1.7
53.03941	5.2
55.01874	6.0
57.03426	6.0
61.02923	7.6
68.99817	3.1
69.03434	37.5
69.48330	10.7
70.06609	8.4
71.04994	2.1
72.08160	3.0
73.02910	5.0
75.15704	1.6
81.03424	22.3
84.08154	2.2
85.02912	100.0
86.09738	4.5
87.00834	48.0
97.02905	32.6
98.20812	3.4
98.97574	2.3
99.04462	11.2
105.01871	67.8
108.04456	3.8
109.02891	26.9
110.07174	2.4
120.08112	18.5
127.03928	69.6
129.01843	3.4
145.04967	31.3
147.04408	3.2
147.09155	2.7
148.04745	5.0
159.02898	8.2
163.08687	2.0
165.69261	2.1
166.08647	2.6
175.08716	3.3
189.04008	2.9
231.05040	16.9
249.06085	5.2
294.13474	2.3
300.12546	2.1
322.12820	3.2
340.13892	2.6
354.02725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05273	1.3
55.05515	16.5
56.05013	2.0
57.03439	0.9
57.07085	5.1
60.04531	29.7
62.57622	0.8
67.05505	14.4
69.07072	23.6
69.24442	7.1
71.04971	1.9
71.08632	1.6
75.55708	0.8
79.05487	4.7
81.07059	17.7
83.04968	1.5
83.08617	16.4
91.05499	5.8
93.07040	6.8
95.08607	15.9
97.06523	1.5
97.10172	10.8
98.21552	1.9
99.08105	1.3
99.70812	0.8
105.07029	4.5
107.08585	5.5
109.10154	11.4
111.08056	1.5
111.11715	2.2
119.08574	3.7
121.10151	4.0
123.08046	0.9
123.11677	2.5
127.11192	1.2
133.10121	4.1
135.11713	1.8
137.09624	2.5
137.13277	1.5
137.38229	0.8
142.15924	9.6
147.11746	4.1
149.13310	1.8
151.11163	1.3
154.12236	4.4
161.13277	3.1
165.12737	1.5
172.13350	2.8
175.14830	1.1
182.19031	1.3
184.17004	2.2
189.16527	1.0
193.79543	0.9
245.22633	2.1
248.21295	0.8
263.23743	7.3
280.26334	12.1
298.27396	14.5
322.27408	3.9
335.44040	0.9
340.28500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2847
Annotation	N-oleoyl glycine
Peak:m/z	Relative Intensity
54.45988	1.0
55.05518	19.0
56.05030	1.8
56.05847	1.5
57.03426	3.0
57.07072	6.5
58.07397	1.2
60.04529	30.5
67.05177	1.4
67.05507	15.9
68.03156	1.1
68.05869	1.5
69.07076	26.5
70.07383	2.9
71.04978	2.1
71.08631	1.9
73.51194	1.0
79.05503	5.0
80.05827	1.1
81.07061	23.0
82.07369	1.5
83.04985	1.2
83.08628	15.3
84.08949	1.8
85.10185	1.4
91.05472	4.4
93.07040	5.1
95.08623	17.7
96.08934	1.6
97.06548	2.4
97.10162	9.0
97.60915	1.0
98.10534	1.7
100.11250	1.0
105.07016	4.0
107.08607	3.3
109.06538	1.8
109.10175	10.2
110.10432	1.3
111.11689	2.4
119.08566	3.6
121.10168	4.4
123.11732	3.8
128.14417	1.1
133.10141	4.0
135.11694	2.6
137.09584	2.2
137.13264	1.9
142.15921	8.4
147.11624	3.3
149.13208	2.0
151.11163	1.1
154.12256	3.4
161.13261	1.3
163.14784	1.1
172.13289	1.9
175.14888	2.6
200.19193	1.0
245.22652	3.1
263.23718	3.8
280.26413	11.1
298.27466	14.3
310.40002	1.0
322.27435	2.3
340.28571	100.0
341.28909	1.8
362.25156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70417	1.2
56.62657	1.0
56.96572	10.6
62.76796	0.9
69.22869	8.9
71.95255	1.8
73.93444	1.1
80.82275	0.8
88.26935	0.9
90.60117	1.1
98.97591	96.9
114.95576	1.9
116.98625	29.9
134.99692	4.2
138.03659	0.9
156.96599	7.4
160.19234	1.0
170.68137	1.0
174.97650	22.9
177.00951	1.5
177.89493	1.1
190.95636	2.4
192.98737	6.8
198.97667	8.1
214.95641	17.9
216.98730	64.4
217.98935	1.0
219.02063	3.4
232.96721	15.5
234.99782	59.2
235.99934	1.7
238.95702	1.6
240.98572	1.6
250.97762	4.6
253.00565	1.1
256.96710	33.6
257.96964	1.6
258.99802	14.6
261.03015	1.6
274.97748	40.5
275.97968	1.8
277.00815	12.6
280.96841	3.1
292.98837	3.8
298.97769	99.1
299.97974	3.2
316.98840	100.0
317.99054	4.3
334.99905	1.8
340.00360	1.4
340.98865	32.2
341.98978	2.0
358.99869	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	341.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18622	1.2
54.09534	1.2
55.01870	1.6
56.96568	31.3
57.03437	1.7
64.66108	1.3
69.03441	6.3
70.06598	10.1
71.04997	1.6
71.50920	2.0
71.95279	3.5
72.08157	3.1
73.02929	2.9
73.04758	3.8
74.97607	3.9
81.03415	4.1
82.63644	1.2
83.97603	1.2
84.04498	3.3
84.08148	10.3
85.02908	7.0
86.09716	3.9
91.05804	4.9
97.02918	3.0
98.97591	90.5
99.04477	3.8
107.04958	9.1
109.02884	1.2
110.07184	11.1
110.97582	14.8
116.98627	58.9
117.05501	4.9
119.04950	1.5
120.08128	1.9
124.99174	1.8
127.03918	2.6
128.98616	13.8
129.10260	3.1
134.99658	21.7
136.07620	1.7
136.08591	1.6
137.06024	7.3
140.00214	1.6
143.00191	6.3
146.99672	5.8
147.04434	3.8
149.06018	1.7
153.00746	2.5
156.07727	1.9
158.01260	1.5
158.99678	2.4
161.01251	4.0
161.07156	2.2
162.05519	3.2
164.99759	4.2
167.07094	2.8
170.99615	1.4
175.07564	1.4
177.00636	1.5
179.03423	3.0
179.08261	2.3
179.11867	1.6
183.00803	20.1
185.01350	2.3
189.00705	1.5
197.01254	1.5
201.01854	100.0
203.02306	4.2
205.04793	10.3
209.10347	1.4
214.98503	2.5
215.02234	1.6
217.20576	1.4
219.02928	56.2
225.01863	15.5
233.03403	2.8
234.99045	1.5
237.01962	2.0
242.04468	1.4
243.02913	64.1
250.47955	1.2
251.03391	2.0
255.02956	4.8
261.04114	10.7
266.04559	1.8
266.07513	2.5
269.04465	11.7
273.03909	2.1
278.05148	1.3
281.04486	5.5
299.05588	8.7
305.09033	1.3
317.06677	3.8
341.02466	2.3
341.06708	14.2
341.12112	40.1
359.03143	2.6
359.07407	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	341.1023
Annotation	Cornigerone
Peak:m/z	Relative Intensity
55.01878	64.1
55.05517	3.7
65.03926	6.5
67.05493	5.9
69.03413	4.4
69.07066	4.3
71.04980	4.5
71.09561	4.8
74.99255	2.3
79.05500	8.9
81.03443	4.8
81.07055	10.1
81.78418	2.1
83.04982	4.1
83.08627	3.1
85.06527	4.1
91.05487	18.1
93.07070	10.8
95.04977	6.9
95.08597	9.0
96.02142	4.2
98.14907	2.4
99.04505	10.8
103.05505	5.6
105.07041	27.4
107.04945	9.6
107.08585	10.8
108.77981	2.0
109.06506	10.3
109.10198	3.2
109.22534	2.2
111.04465	17.0
115.05479	13.5
116.87542	2.4
117.07021	6.6
119.04918	2.7
119.08598	9.6
121.06522	3.7
121.10160	3.7
122.03667	6.5
123.04372	2.4
128.06209	7.5
129.07002	12.8
131.04907	9.9
131.08553	8.2
132.05765	3.2
133.02840	4.0
133.06503	22.0
133.10115	5.6
135.08041	6.4
137.05991	79.3
139.03911	7.1
141.07022	5.0
143.08549	6.8
144.05751	6.0
145.06508	12.1
145.10123	7.1
146.07269	3.8
147.04431	3.5
147.08029	4.7
147.11707	4.9
149.05984	2.5
151.03906	2.5
151.07500	3.6
152.06245	3.7
153.05536	5.5
153.07018	6.8
155.08502	2.6
157.06458	2.4
157.10104	5.3
159.04376	3.7
159.08023	9.1
159.11668	6.1
161.05998	35.8
161.09648	3.4
163.07469	2.9
165.05658	4.2
165.06931	15.6
166.07817	2.3
167.03392	4.5
167.07050	10.7
167.08446	3.7
169.06511	4.5
170.03551	2.7
171.04291	3.3
171.05603	4.3
171.08061	3.9
171.11740	3.8
172.05203	3.4
173.05992	14.3
173.13197	3.5
174.06799	13.7
175.07553	24.9
177.05516	2.8
177.07028	3.3
178.07765	9.2
179.08514	2.9
181.06447	16.0
182.07259	7.5
183.08054	4.1
183.11758	4.0
184.05222	4.0
185.13205	4.2
186.03215	3.2
187.03868	3.3
187.07552	29.9
189.05472	49.0
189.07079	3.9
189.09099	6.6
191.08580	4.2
192.05638	4.8
193.06503	6.2
194.07300	4.7
195.08064	6.5
195.11708	2.5
197.06076	4.3
198.06721	4.3
199.07542	14.1
199.11272	2.7
201.05511	20.9
202.06248	13.0
203.06950	7.8
203.08548	6.1
205.06473	9.7
206.07323	6.6
207.07930	4.0
209.06039	15.2
210.06731	18.1
211.07465	11.4
213.05652	4.3
213.09132	5.3
217.06511	2.2
217.08591	3.4
219.08051	5.0
220.05225	7.0
221.05997	21.9
221.09569	5.5
222.06738	8.3
223.07544	9.0
224.08334	7.8
225.05534	3.7
225.09132	6.5
226.06140	3.2
227.07025	23.6
231.08051	9.5
233.06056	3.0
234.06731	9.7
235.07561	13.5
236.08156	3.8
237.05507	15.1
238.06297	14.7
239.07056	10.8
240.07747	3.1
241.08606	4.7
242.09383	2.6
243.06474	10.4
247.07562	6.8
248.04750	7.4
248.08405	7.9
249.05495	13.3
249.09091	8.2
250.06184	7.2
251.06993	10.7
251.10699	5.0
252.07835	12.3
253.04822	4.5
253.08632	47.0
255.06522	30.1
256.07336	7.3
257.08081	2.7
259.07529	3.4
262.06232	2.8
263.07028	31.7
263.10220	4.6
264.07770	6.7
265.04968	19.4
265.08392	5.1
266.05649	9.0
266.09134	2.8
267.06519	25.9
267.10077	8.9
269.08151	5.1
270.08807	7.4
271.09573	9.7
276.07788	3.5
277.04950	6.2
277.08591	9.8
278.05826	4.0
279.06543	6.4
279.10071	4.2
280.07355	22.5
281.08087	42.6
281.11618	9.4
282.08893	6.5
282.22165	2.4
283.06168	12.6
283.20612	2.9
285.11230	8.7
287.09097	9.7
288.52081	2.4
291.06500	8.3
291.10114	15.0
292.07187	6.4
292.10858	3.2
293.07962	4.4
294.05444	2.9
295.06509	3.9
295.09668	25.0
297.07617	2.8
298.08383	8.3
308.06619	3.2
309.07538	55.0
309.11160	13.3
310.08301	17.5
311.12741	5.6
313.10699	21.7
313.14056	3.4
323.09146	32.2
323.12833	8.8
326.07864	6.7
341.10153	100.0
341.13867	27.9
341.20868	4.3
341.24753	7.9
342.10226	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	341.1022
Annotation	Cornigerone
Peak:m/z	Relative Intensity
52.49840	1.9
52.73571	1.8
54.49621	2.4
55.01874	53.2
55.05510	3.2
65.03947	5.1
67.05507	5.2
69.03449	4.7
69.07061	3.3
69.67674	10.1
70.06618	2.6
70.80678	1.9
79.05492	5.0
81.03410	6.0
81.07048	9.0
83.04989	2.4
85.02899	3.2
91.05476	10.5
93.07037	5.8
94.04202	3.0
95.04955	4.6
95.08611	5.7
96.02076	3.6
97.02914	3.0
98.21508	2.6
103.05489	6.1
105.07021	13.1
107.04964	8.5
107.08589	3.6
108.01361	1.8
109.06546	2.0
109.08288	1.9
109.10149	4.6
111.04433	15.6
115.05457	16.0
116.04976	4.6
117.07020	3.9
118.04192	2.3
119.04937	3.3
119.08569	3.5
121.06516	4.3
121.10131	2.6
122.03648	7.7
123.04447	4.6
128.06262	2.9
129.07018	16.1
131.04947	10.2
132.05731	2.0
133.02815	6.1
133.06514	23.0
133.10144	3.9
134.17212	1.9
137.05981	100.0
139.03871	5.0
141.06941	2.6
143.08574	3.5
144.04515	4.8
144.05637	4.2
145.06425	9.7
146.03603	4.9
147.04456	3.7
149.06018	5.0
151.03871	3.7
151.07523	4.7
152.06224	4.1
153.05453	2.4
153.07002	5.9
155.04927	3.9
155.08598	2.7
156.05687	3.4
157.06474	5.6
159.04352	3.8
159.08063	6.9
161.05978	37.5
163.03902	5.6
165.05655	3.7
165.06970	15.4
167.03395	5.8
167.07042	12.7
167.08376	3.2
168.05762	3.1
169.06516	2.5
170.03619	4.5
171.04376	3.3
171.08083	2.8
172.03943	19.2
172.05234	4.2
173.06003	9.5
173.13232	2.4
174.06770	14.4
175.07561	32.9
176.06161	2.2
177.05563	3.7
177.07016	3.4
177.09026	2.9
178.07771	8.2
179.07121	3.4
179.08548	5.0
181.06503	13.5
182.07268	6.1
183.08078	2.8
185.05998	5.7
187.03938	3.2
187.07553	32.1
189.05493	37.6
189.07051	3.3
189.09119	6.4
190.07726	5.1
191.08553	5.3
192.05701	4.7
193.06500	8.2
194.07188	3.0
195.08080	4.9
196.05269	3.4
197.05986	4.1
199.07562	11.6
201.05434	21.1
202.06238	12.8
202.07742	4.1
203.06992	6.4
203.08571	8.6
204.06578	30.3
205.06543	5.9
206.07289	4.7
207.08131	6.5
208.08904	2.5
209.05898	10.6
210.06743	20.5
211.07486	11.6
212.04663	2.1
213.05447	4.3
213.09076	2.4
217.08609	8.4
218.07274	3.6
219.08086	12.1
220.05208	8.3
220.08870	6.1
221.05972	19.3
221.09631	6.2
222.06697	6.3
223.07571	7.8
224.08354	9.1
225.05444	2.9
225.09126	7.1
226.06314	5.3
227.07063	22.9
231.08095	8.7
233.06001	2.9
234.06798	6.8
235.07549	14.5
236.08266	4.2
237.05562	15.3
237.09109	4.9
238.06273	9.8
238.10042	2.4
239.06926	12.4
240.07814	7.3
241.08643	4.0
243.06606	6.7
247.07594	6.0
248.04710	5.6
248.08275	9.4
249.05406	12.6
249.09204	11.1
250.06265	9.3
251.07036	8.8
251.10666	4.1
252.07861	12.5
253.04909	2.5
253.05724	2.6
253.08585	39.6
255.06609	17.1
256.07288	7.2
259.07590	3.9
262.06323	3.6
263.07047	30.1
263.10614	8.3
264.07800	5.9
265.04947	15.7
265.08582	4.7
266.05667	5.8
266.09131	2.7
267.06561	17.4
267.10080	7.2
269.08215	3.1
270.08899	10.8
271.09650	10.4
276.07953	5.1
277.05176	4.8
277.08600	7.5
278.09488	2.2
279.06552	10.9
279.10205	6.1
280.07266	16.7
280.10175	2.9
281.08090	35.4
281.11713	13.6
282.08688	6.2
283.05997	12.0
283.09341	4.1
285.11212	8.5
287.09189	7.2
291.06604	6.5
291.10187	19.4
292.07297	5.7
293.08020	6.0
294.05423	3.2
294.08832	4.0
295.06180	4.7
295.09671	19.5
297.07339	3.4
298.08389	8.2
308.06870	2.6
309.07550	39.6
309.11188	19.7
310.08359	18.2
311.09280	4.3
311.12750	8.3
313.10782	20.3
322.31119	2.3
323.09140	29.7
323.12805	12.9
326.07727	3.3
341.10165	95.5
341.13849	34.9
341.18393	3.4
341.28491	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00695	1.0
56.96558	3.3
69.03427	2.1
69.62215	7.5
70.06576	3.9
72.08148	4.5
72.08518	1.1
73.04757	2.9
73.14880	1.0
79.05489	1.4
81.03414	1.8
84.04498	1.2
84.08147	16.9
85.02899	4.8
86.09686	3.8
91.05784	4.3
95.04963	1.8
97.02894	2.9
98.20792	1.3
98.97591	7.0
102.88077	1.1
103.05502	1.3
104.55920	1.0
105.07027	1.8
107.04955	13.5
110.07183	8.9
110.97556	1.6
111.07491	1.3
116.98606	3.0
119.04948	1.5
120.08126	1.5
122.03638	1.7
123.04453	2.3
127.03855	1.3
129.10236	4.5
131.04918	1.2
135.04274	1.2
136.08759	1.2
137.05991	12.9
138.06361	2.2
147.04419	4.7
149.06006	1.4
150.09190	1.1
151.03996	1.4
155.07042	1.2
156.07726	1.3
161.05917	1.2
166.06075	1.1
167.07024	4.4
177.00702	1.1
177.05338	1.2
179.03419	2.1
181.04933	1.6
183.15001	1.7
191.06940	1.4
205.02919	1.7
205.04744	20.9
208.11511	1.5
209.10315	1.1
219.01762	1.9
251.04831	1.2
266.07593	3.3
341.12054	100.0
359.02774	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	341.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41759	1.6
55.28256	1.6
57.03413	2.2
61.02914	2.7
65.03940	1.7
69.03438	8.7
69.66045	4.1
69.66442	3.7
70.06583	5.2
71.05012	2.2
72.08128	1.7
73.04739	1.8
81.03403	2.9
84.04451	2.2
84.08131	3.7
85.02907	17.1
86.09690	4.2
91.05469	22.9
97.02882	5.8
98.21553	2.9
98.60371	1.7
99.04465	2.2
103.03970	1.7
103.05434	2.2
104.23435	1.5
105.07014	5.9
107.04952	3.3
110.07179	2.7
112.95307	1.4
115.05488	2.5
116.07088	2.1
119.04955	25.0
127.03907	5.0
131.04907	5.0
132.05623	1.5
133.06514	9.8
133.09943	1.6
136.07597	1.6
137.05995	16.0
143.05014	1.6
145.04922	3.0
147.04420	100.0
151.07542	2.3
157.06500	2.0
159.04390	1.7
161.06000	8.8
162.05568	2.8
163.07504	2.0
167.07008	2.7
173.05992	2.1
175.07561	4.7
179.03482	9.2
179.07047	58.2
182.64339	1.6
187.07536	4.4
189.09137	2.6
189.75809	1.5
191.07016	10.9
203.06905	1.8
205.04918	2.4
207.06523	2.2
217.08546	2.2
219.08305	1.8
237.09039	2.0
248.08304	2.6
277.08499	1.9
279.10251	2.1
284.06744	2.8
291.10059	4.0
293.47675	1.7
299.09009	7.7
311.12891	2.3
313.10608	4.5
320.29004	1.6
323.12808	3.5
341.06287	1.8
341.13599	6.3
359.02859	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38371	8.6
69.38792	12.7
72.91911	2.5
79.05484	7.5
91.05471	8.4
95.04942	3.3
97.75124	2.5
98.20760	5.0
100.11275	4.4
103.05473	3.3
105.07026	8.6
107.04957	13.0
115.05457	6.6
115.50367	2.8
117.07044	3.2
119.04977	2.7
119.08559	3.0
121.06523	3.6
122.03616	4.6
123.04421	3.4
128.06229	5.5
129.07019	28.0
131.04927	4.5
132.05678	4.9
133.06491	7.6
134.04616	3.8
137.05980	100.0
144.05693	4.4
145.06531	5.5
146.03638	3.2
147.04405	5.0
147.08052	8.9
149.05922	3.6
153.05470	3.4
155.04904	5.2
156.05688	3.2
157.06523	2.8
159.08102	16.4
160.05148	4.5
161.05960	23.3
161.09535	2.9
162.06786	2.8
167.07051	28.8
169.09755	2.6
172.05190	4.8
175.06056	4.4
175.07556	63.1
177.09137	5.6
178.07805	5.5
182.04933	15.0
185.06021	2.7
187.07570	40.8
189.07088	2.9
189.09082	6.1
190.07690	3.5
191.08553	7.8
193.10132	2.8
195.08044	4.0
199.07480	3.6
202.07774	11.8
203.08557	8.7
205.06522	6.7
206.07272	10.1
207.08069	5.1
208.02921	9.0
217.08688	4.4
218.07353	6.5
219.08026	13.5
220.08882	5.5
221.09604	12.1
231.08061	7.5
234.06752	11.9
235.07610	5.0
247.07623	8.5
248.08359	5.2
249.09087	18.9
251.06981	7.9
251.10785	6.3
259.07669	2.5
263.10498	2.6
265.08673	3.3
266.09381	4.3
277.08475	12.1
279.06628	3.4
279.10184	9.1
281.11722	33.6
291.10034	7.8
292.11087	3.0
293.08228	4.4
294.08810	7.7
295.09784	4.4
309.11212	37.2
310.12088	3.8
311.09229	6.0
311.12744	7.7
323.12711	9.2
326.11478	4.0
326.62256	2.7
341.13855	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	341.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85935	1.2
67.05466	1.5
69.22913	5.2
69.23347	6.1
79.05484	2.3
81.07069	2.2
91.05481	5.4
94.04197	3.0
103.05468	2.5
105.07028	4.4
107.04955	2.9
109.06524	1.6
111.04446	1.9
115.05457	2.3
117.07014	1.6
119.08593	2.3
121.06487	1.7
122.03666	9.8
128.06236	1.6
129.06998	5.8
131.04922	1.7
131.08635	1.7
132.05736	2.7
133.06474	3.8
137.05989	100.0
138.06296	1.4
141.07031	1.8
145.06447	2.5
147.04391	1.8
147.08069	3.8
149.05978	2.5
151.07599	1.8
157.06490	2.1
159.08080	2.7
160.05159	2.9
161.05978	10.3
172.05135	2.6
175.07568	39.9
179.06949	1.7
185.05914	1.8
187.07553	12.0
189.09041	2.9
190.07788	2.2
191.08565	7.6
199.07556	8.6
202.07753	4.1
203.08606	8.3
205.06503	2.0
211.07605	4.1
217.08649	2.8
218.07329	2.0
219.08086	11.2
220.08743	3.1
221.09610	1.5
227.07091	2.4
231.08066	7.5
233.06084	1.8
235.07622	2.4
236.08347	2.8
239.07034	2.8
240.07843	1.9
247.07626	7.1
248.08362	7.2
249.09074	2.3
251.10654	11.3
255.06551	2.5
259.07507	4.0
260.08530	1.4
261.09256	1.3
263.10699	6.3
265.08670	3.9
270.08929	4.4
271.09644	7.7
276.07819	4.5
277.08566	4.7
279.10156	9.6
281.11929	2.5
283.09683	2.2
291.10141	17.9
292.10928	2.9
293.08298	2.3
296.10376	1.9
297.11395	1.7
308.10471	1.7
309.11194	2.5
311.09540	1.8
311.12787	11.6
323.12982	9.0
341.13892	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	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
58.14664	1.8
58.14972	2.2
64.24845	1.7
69.03418	2.9
69.31173	18.2
76.76605	2.3
79.05497	16.5
81.07066	2.5
91.05466	10.9
91.25600	1.9
95.04966	4.7
103.05437	6.0
105.04459	3.1
105.07040	17.1
107.04958	31.4
108.45789	2.1
109.06523	2.2
115.05441	5.2
116.06252	3.0
117.07005	2.6
119.04915	2.4
121.06544	3.0
122.03663	3.4
123.04430	7.4
124.05195	5.0
127.05430	2.2
128.06216	12.8
129.07007	57.8
129.08485	2.6
131.04897	5.9
131.08598	4.6
132.72093	2.1
133.06491	14.6
135.04477	2.5
137.05975	40.2
141.07021	3.8
144.05707	9.7
145.06456	5.6
147.04369	3.0
147.07942	3.5
152.04729	3.8
153.05484	7.0
155.04900	10.5
155.06030	4.4
156.05692	4.5
157.06433	3.1
159.08058	34.5
160.05147	2.6
161.06004	34.9
161.09673	2.8
165.06947	3.6
167.07047	64.3
172.05203	6.3
175.07530	19.7
178.07759	15.7
179.07043	4.9
179.08514	4.0
181.06624	3.5
187.07544	100.0
188.08015	2.7
189.06985	8.3
189.09067	7.0
190.07750	7.3
190.46143	2.1
191.07091	2.5
191.08548	9.8
192.09311	2.8
193.10094	6.6
195.08040	4.9
201.05334	2.0
201.09045	2.2
202.07846	14.3
203.08557	14.7
205.04851	2.3
205.06479	10.4
206.07277	18.8
207.08023	5.6
208.08893	2.4
209.09651	2.4
217.06419	6.1
218.07231	8.0
219.08092	10.5
220.08867	6.9
221.09607	29.6
223.07486	5.6
231.08031	9.4
233.06004	5.8
234.06766	22.4
235.07608	13.5
237.09070	6.4
238.09953	2.8
239.48346	2.3
245.05991	5.2
247.07498	8.3
248.08316	8.2
249.09152	46.2
250.09818	5.3
251.07039	23.6
251.10678	3.9
252.07619	2.5
259.07550	3.2
262.06226	4.9
263.06967	5.7
263.10739	4.9
264.07764	3.2
265.08621	8.8
266.09418	15.3
267.10110	2.9
276.07730	3.3
277.08612	26.4
278.09250	3.9
279.06491	10.5
279.10004	5.7
280.10788	3.2
281.08484	3.8
281.11707	77.9
283.09607	3.4
291.10211	5.9
293.08038	3.6
294.08856	13.6
295.09726	9.5
308.65375	2.2
309.11209	83.7
310.11902	7.2
311.09097	8.0
311.12582	2.2
323.12762	4.3
326.11447	5.2
341.13821	63.2
342.14011	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28895	1.5
66.60586	1.5
70.23032	6.0
90.16046	1.4
91.05486	4.5
93.94278	1.3
94.04185	4.5
103.05470	2.6
105.07076	3.3
107.04956	2.0
109.06528	2.7
115.05453	5.5
117.07007	3.2
117.30961	1.5
119.08576	3.8
122.03655	7.0
128.06218	1.9
129.07013	4.1
132.05736	3.1
133.06511	4.2
137.05992	100.0
138.06282	1.7
141.06998	1.7
145.06543	1.2
147.04356	1.9
147.08029	4.7
149.06000	2.1
159.08055	2.5
160.05209	3.9
161.06032	8.2
172.05130	1.6
175.07576	37.2
187.07576	5.8
190.07726	2.6
191.08565	7.1
199.07550	8.9
202.07799	5.2
203.08554	5.9
210.83696	1.7
218.07277	1.9
219.08090	10.5
220.08911	3.4
231.08051	5.7
232.08833	3.1
236.08311	3.0
247.07585	4.9
248.08315	3.3
251.10657	14.3
259.07648	3.2
263.10663	4.2
264.07840	1.5
279.10162	8.7
291.10107	6.6
292.10788	2.4
295.13010	1.3
300.92072	1.2
311.12735	8.5
323.12909	2.8
341.13718	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	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	35.2
57.03436	9.3
57.07078	17.1
67.05499	55.7
69.07063	45.9
69.42752	32.5
69.43163	15.6
71.08647	7.1
72.51760	5.7
77.46211	5.4
79.05487	25.0
80.12714	5.4
81.07059	91.6
83.08625	28.1
83.33578	6.3
85.06564	7.0
91.05489	19.4
93.07044	46.9
95.04993	10.2
95.08605	100.0
97.06512	14.9
97.10151	12.0
100.54885	5.4
105.07052	40.0
107.08570	34.3
109.10172	56.0
111.11687	6.4
113.09686	6.7
119.08583	29.5
119.37765	6.1
119.99886	7.5
121.10157	32.4
123.08071	11.7
123.11702	17.8
133.10135	37.7
135.11736	22.0
137.06007	28.6
137.09608	8.4
137.13242	10.1
143.08562	7.9
145.10161	7.3
147.10640	6.5
147.11694	28.5
149.13249	27.6
151.11151	6.3
151.14848	12.3
161.05981	7.8
161.13292	21.3
165.16379	6.7
175.07620	9.3
175.14854	13.6
188.80754	6.0
189.09145	6.9
189.16362	12.2
203.17976	6.2
231.21088	68.7
249.22208	52.1
323.25986	19.9
341.10272	8.2
341.24725	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	341.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.4
55.05514	41.3
57.03429	13.4
57.07074	22.4
67.05510	63.9
69.07076	54.7
71.08633	5.4
71.51575	8.3
79.05486	34.9
81.07060	100.0
83.08616	30.2
85.06525	6.9
85.10164	5.7
91.05466	34.0
93.07047	40.6
95.04935	4.7
95.08617	96.9
96.58040	4.0
97.06533	11.9
97.10152	17.2
103.03941	9.7
105.07030	42.6
107.08607	33.4
109.10147	48.5
111.08058	6.7
111.11723	8.5
113.09648	6.1
117.07018	9.3
119.08607	26.3
121.10155	25.3
123.11716	26.5
125.09653	6.9
129.05495	9.2
129.07008	16.7
131.08571	14.8
133.10117	39.3
135.11702	25.1
137.05963	21.4
137.13264	14.9
143.08559	12.9
145.10095	10.1
147.11716	32.0
149.02383	5.6
149.13316	20.8
151.11159	6.7
151.14812	10.7
155.01604	7.4
155.08508	7.8
157.10097	14.2
159.11703	7.4
160.00819	4.9
161.05910	4.9
161.13228	23.8
163.14865	7.9
165.12733	5.1
165.16447	10.5
169.10083	7.4
171.11700	15.1
175.14774	9.0
177.16472	4.7
183.11871	4.6
185.13211	10.5
187.14890	4.5
189.16527	6.7
191.17848	4.7
197.10764	10.6
199.14856	5.5
231.21092	79.0
249.22145	53.4
256.02908	8.1
265.03497	6.7
287.78766	4.6
323.26199	24.2
341.20950	11.5
341.24802	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	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51285	4.7
55.05518	38.9
57.03420	16.2
57.07077	46.1
60.04518	17.3
67.05507	52.6
67.79341	4.5
69.07069	54.0
71.04980	5.7
71.08625	39.9
77.54508	5.2
79.05484	19.5
81.07051	81.2
83.04983	7.7
83.08634	32.6
85.06553	7.9
85.10190	15.6
91.05492	13.8
93.07047	42.1
95.04917	5.2
95.08617	100.0
97.06532	5.7
97.10172	27.8
98.20727	12.8
103.03971	9.8
103.05444	5.6
105.07024	24.2
107.08611	37.0
109.10178	45.1
111.08060	9.9
119.08610	24.4
121.10158	25.6
122.03624	5.9
123.11720	25.5
125.09558	5.2
131.04948	7.0
131.08588	5.4
133.10204	24.0
135.11688	24.4
137.05984	24.4
137.13246	13.2
139.11253	5.4
145.10085	10.1
147.11676	13.1
149.13268	12.4
151.14838	13.3
159.54465	5.9
161.13249	13.9
163.07515	10.9
163.14807	7.3
165.12743	5.5
175.07585	6.8
175.14842	17.9
176.50943	5.3
187.14792	10.6
189.16319	6.8
203.17973	5.5
231.21074	47.1
249.22173	41.7
281.26599	8.5
299.27872	5.8
311.12512	6.1
323.26016	16.2
341.30014	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	21.5
57.03453	7.5
57.07088	32.0
63.54799	4.7
67.05505	31.5
69.07066	38.8
69.83214	27.4
71.04994	15.0
71.08624	21.4
79.05498	19.1
81.06599	5.7
81.07062	76.4
83.08624	22.2
85.06558	12.5
85.10207	5.4
86.06080	7.9
89.61610	5.0
91.05474	30.6
93.07052	60.4
95.04967	8.1
95.08612	90.3
97.10172	16.7
98.20760	7.3
105.07034	57.2
107.08598	60.0
109.06551	12.7
109.10183	55.2
111.08086	16.2
113.09641	11.8
117.07059	8.7
119.08578	51.0
121.10153	42.1
123.08088	6.9
123.11723	20.5
129.07030	6.2
131.08604	24.4
133.10135	35.4
135.11694	42.9
137.05995	10.7
137.09651	8.2
137.13278	7.6
143.08614	17.2
145.10136	35.0
147.11639	30.4
149.09648	6.2
149.13290	25.7
151.14951	5.3
157.10165	27.8
159.11705	42.9
161.09666	5.5
161.13290	21.8
163.11177	7.4
163.14836	15.5
171.11775	7.4
173.13281	28.8
175.14809	14.2
177.16428	7.1
183.11623	6.6
185.13307	21.1
187.14828	29.9
189.16457	15.0
191.17949	14.5
199.14867	12.5
201.16396	18.1
205.64516	4.4
211.14905	6.3
213.16460	14.6
215.17978	12.4
217.15923	5.4
227.18013	15.7
229.19484	6.7
239.18015	6.4
257.22726	15.8
267.21005	6.3
271.24371	6.8
283.24231	41.0
309.11142	6.3
323.27289	50.6
341.09906	5.3
341.13715	6.7
341.28156	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90439	4.7
53.03941	6.9
55.05504	24.4
57.07051	6.9
58.72823	5.5
61.67661	5.2
67.05497	24.2
68.91681	5.6
69.07057	18.5
71.05003	27.7
79.05500	25.7
80.73166	5.7
81.06647	7.6
81.07070	81.8
81.85845	6.8
83.08612	11.7
85.06548	11.0
91.05489	30.3
93.07050	86.6
95.04961	7.9
95.08615	75.7
105.07040	49.0
107.08617	74.2
108.50565	5.5
109.06553	12.2
109.10179	49.9
111.08067	21.7
113.09631	11.6
115.57991	5.3
115.58807	5.4
119.08600	62.2
121.10166	62.4
123.11741	21.0
131.08612	28.1
133.10190	35.6
135.08130	5.1
135.11699	35.6
137.13254	15.5
143.08470	7.5
145.10141	38.3
147.11711	26.8
149.13275	37.0
157.10155	17.5
159.11720	52.9
161.13266	24.1
163.14835	28.1
171.11716	14.4
173.13319	35.8
175.14812	15.6
185.13333	8.1
187.14809	25.5
189.16393	15.3
191.18050	18.6
199.14809	16.3
201.16397	16.0
203.17896	5.3
213.16409	19.2
215.18019	14.8
217.19572	8.4
227.17966	14.6
229.19458	8.4
241.19489	6.9
257.22601	18.5
267.21167	5.8
274.94830	5.9
283.24292	42.2
323.27399	47.7
326.66141	5.8
341.28479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3051
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
53.32126	0.7
55.05516	12.0
57.03442	17.5
57.07079	56.4
58.07402	1.1
58.52804	0.7
66.90002	0.8
67.05506	14.6
68.05846	0.9
69.07075	16.5
69.86353	4.3
70.07396	1.5
71.04979	0.8
71.08635	39.6
79.05495	3.5
81.07061	23.7
81.77186	0.7
82.07391	1.2
83.04953	1.4
83.08621	13.6
84.08974	1.0
85.06555	1.4
85.10184	20.1
86.01021	0.8
89.06040	3.8
91.05484	2.5
93.07058	6.7
95.08610	26.5
97.06532	0.8
97.10172	9.7
99.11744	1.8
103.07590	2.1
105.07039	3.5
107.08598	3.1
109.10171	12.3
110.10439	0.7
111.11710	3.9
119.08612	3.7
121.10146	2.9
122.10481	0.8
123.08075	0.7
123.10899	1.2
123.11719	6.5
125.13279	0.8
127.68343	0.7
131.08603	0.9
133.10167	1.9
135.11697	2.1
137.06009	2.6
137.13261	2.4
142.07742	0.7
143.08611	0.8
145.10156	2.0
147.11708	1.5
149.13263	1.1
159.11700	2.0
161.13284	1.6
171.11702	0.9
173.13290	1.1
185.13364	1.3
187.14943	1.4
189.16458	1.2
191.17950	1.1
258.74878	0.7
265.23837	0.8
266.22534	0.8
267.26868	2.2
271.55530	0.7
283.24200	1.7
285.27847	6.3
323.27356	2.1
341.30536	100.0
342.30887	2.8
342.37424	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	341.3204
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.03939	2.0
55.05265	1.7
55.05512	20.4
57.03429	3.0
57.07079	22.7
65.03961	1.4
67.05506	35.7
69.07072	39.0
71.08642	12.0
71.51753	1.6
73.04768	2.1
79.05492	14.3
81.07060	100.0
83.08620	20.2
85.10191	5.7
87.23029	1.2
91.05473	12.7
93.07047	35.9
95.08610	98.1
97.10168	12.3
105.07033	25.7
107.08598	49.7
109.10161	62.2
111.11722	5.7
117.07014	2.7
118.02162	1.0
119.08588	32.9
121.10151	44.2
123.11703	38.4
125.13279	1.7
130.07849	1.3
131.08586	6.8
133.10132	21.4
135.11700	31.5
136.12054	1.2
137.13252	15.9
145.10118	10.5
147.11699	22.0
149.13263	28.3
151.14815	3.6
157.10129	1.2
157.30742	1.2
159.11708	12.5
161.13255	22.0
163.14827	21.3
165.16444	2.2
173.13319	7.3
175.14830	15.9
177.16391	13.3
179.17891	2.1
184.95068	1.1
187.14804	4.5
189.16399	17.1
191.17903	8.4
193.19437	1.3
201.16403	5.2
203.17944	19.4
205.19505	4.8
215.17969	5.0
217.19540	19.2
219.21098	3.2
229.19485	2.7
231.21101	10.9
233.22745	1.5
243.21042	2.9
245.22684	5.5
257.22604	3.1
259.24167	4.0
271.24207	3.8
285.25784	4.1
308.69006	1.1
323.27368	1.7
326.93225	1.2
341.09344	1.6
341.32175	92.0
341.36102	4.4
342.32184	2.6
344.89389	1.5
359.03040	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	7.5
58.83417	1.6
61.02924	2.5
69.03433	3.9
70.06593	2.0
70.89899	1.9
70.90244	4.5
71.04984	2.5
71.08628	5.3
73.02930	1.9
77.74638	2.3
79.05473	2.7
81.07059	14.5
85.02908	15.6
85.06536	2.5
97.02885	3.1
99.08104	19.3
104.91576	1.7
109.02870	2.1
109.06527	19.5
117.09140	100.0
127.03913	3.6
127.07560	44.6
145.05000	3.1
163.03889	2.7
163.09669	22.8
180.08632	4.0
180.12376	3.2
235.85262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03560	1.8
53.33053	1.6
55.05507	2.8
57.03438	4.8
61.02917	2.9
62.16703	1.7
69.03423	4.2
69.66505	3.9
69.66911	8.1
71.05003	2.6
71.08626	6.5
73.06567	2.2
74.22475	2.0
79.05522	1.9
79.99065	1.6
81.07053	13.6
84.08138	1.8
85.02911	14.4
97.02912	4.8
99.08096	20.4
109.06531	19.8
110.07215	2.2
117.09138	100.0
127.07571	46.2
145.04933	4.2
145.08554	2.1
154.72679	1.9
163.04013	2.5
163.09702	23.7
168.37439	1.6
180.08725	2.1
180.12370	4.7
311.08652	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
56.05027	2.9
57.03440	11.9
57.07080	17.1
58.58369	2.0
59.05006	3.1
67.05505	3.4
69.03422	8.0
69.06126	1.8
69.07063	2.4
70.06606	17.4
70.85587	5.9
71.04996	3.0
71.62402	1.8
72.08157	9.0
83.06087	5.9
84.04501	4.0
84.08157	10.2
85.02909	14.3
85.06550	15.4
86.09726	18.9
94.06555	2.3
95.04951	3.9
96.08089	2.1
101.06022	4.8
103.07589	100.0
107.04899	2.3
108.05280	1.9
108.08125	2.8
110.07170	7.8
110.09663	4.2
113.06014	6.4
113.51972	1.8
115.03967	1.9
116.07094	3.9
120.08113	21.6
121.08898	7.2
124.07588	4.1
126.08180	1.9
127.03933	3.5
127.07578	12.9
129.10217	2.7
129.47157	2.0
131.07082	3.4
132.08185	2.3
136.07585	3.1
137.05983	2.9
138.09149	16.5
145.05103	2.5
145.08612	7.9
148.07613	3.1
152.10335	2.0
163.09682	39.9
166.08577	2.8
296.11197	7.6
314.12408	4.8
325.06943	2.4
340.67520	2.2
342.11792	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	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04121	1.8
53.03942	2.5
55.05505	9.0
56.10189	1.9
57.07080	14.7
63.14642	2.1
67.05502	2.2
69.03429	5.9
69.96379	1.9
70.06256	3.0
70.06598	33.4
70.56552	3.3
70.56927	3.7
79.18020	2.2
81.03413	4.6
82.03726	2.0
83.04992	3.9
83.08636	2.6
85.02911	15.9
86.09689	7.6
89.06032	36.8
97.02883	5.7
101.09666	17.3
107.04990	2.2
107.07079	39.5
109.02874	2.5
127.03919	6.0
129.07022	2.2
131.04822	2.2
137.05989	23.5
138.06317	14.9
145.04953	3.2
161.05811	2.5
163.13304	100.0
175.07521	12.4
176.07889	10.2
183.14920	8.7
196.83643	1.9
211.14417	5.9
220.08395	3.0
229.15514	3.8
252.11058	2.7
292.10550	2.4
297.07724	4.6
324.13165	2.9
342.14178	3.9
343.08002	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	342.2389
Annotation	Diprotin A
Peak:m/z	Relative Intensity
55.05503	0.8
56.05028	0.5
67.83862	0.4
69.07072	6.1
70.06593	22.1
71.51137	0.7
72.08152	5.7
84.04499	1.8
84.08137	1.8
85.02898	0.8
86.09706	100.0
87.10036	0.6
106.59981	0.4
107.60214	0.5
110.07172	0.7
116.07095	44.8
120.08120	0.8
127.03940	0.5
129.10303	1.0
132.10211	2.1
137.05968	0.7
138.09167	0.5
139.05103	0.4
180.10213	0.7
183.11345	1.2
195.11301	0.7
199.18059	29.6
227.17545	11.7
229.15479	1.1
260.54666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	4.9
69.95822	5.9
71.95245	2.1
98.97588	50.3
107.52309	1.7
110.97585	1.6
116.98628	14.2
118.14718	1.8
134.99637	3.7
152.36215	1.9
156.96622	3.2
174.97667	7.1
176.97418	5.3
177.00931	4.2
192.98769	2.4
194.98503	1.6
198.97723	5.9
200.82440	1.9
216.95377	7.2
216.98761	25.9
217.98859	3.7
218.98514	13.7
219.02043	7.1
234.96568	6.7
234.99841	19.6
235.99910	2.6
236.99498	11.7
240.98898	20.2
243.00139	2.8
258.96542	12.4
258.99969	45.8
260.00092	2.3
260.99503	2.8
261.03171	11.0
264.99008	3.5
276.97604	17.5
277.01035	12.2
278.01102	2.0
279.00766	2.9
283.00000	100.0
284.00101	6.3
300.97559	43.7
301.01065	84.5
302.01175	6.1
318.98676	51.2
319.02078	2.6
325.00995	17.0
342.98538	11.0
343.02151	62.7
344.02271	5.3
360.99631	22.4
361.03345	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
54.01359	0.7
55.01874	3.2
55.05504	2.5
57.03431	3.5
57.07080	0.8
61.02927	5.8
67.05494	2.1
69.03434	16.2
69.07060	1.5
69.77631	4.4
70.06588	2.1
71.01373	1.0
71.04985	1.6
72.08150	1.0
73.02920	1.5
73.44754	0.6
79.05502	4.2
81.03416	7.0
81.07064	9.6
83.01333	0.7
83.04993	5.7
84.04511	0.9
84.08149	1.3
85.02909	36.7
86.09712	4.8
87.04469	2.3
87.10012	1.2
91.03952	2.1
91.05484	5.0
92.18729	0.7
93.07040	10.4
95.04974	18.6
95.08613	2.0
97.02899	10.5
97.06549	4.3
99.04467	3.1
103.03941	1.0
105.07042	7.6
107.04962	1.5
107.08594	11.3
109.02868	4.1
109.06525	2.3
115.05500	1.0
116.07101	1.8
117.07036	2.5
119.08592	4.4
121.06505	4.5
121.10136	10.6
123.08071	1.5
125.05998	12.9
127.03924	8.6
129.10350	0.9
130.07788	3.1
133.06430	1.3
133.10165	1.5
135.08066	1.4
135.11723	7.0
137.05977	2.1
143.08549	1.0
145.04956	9.8
145.10136	19.6
147.08078	1.3
148.08774	1.0
149.06021	1.1
161.09621	2.2
163.04066	0.8
163.11188	100.0
164.11568	1.6
165.09082	1.2
173.09599	0.7
175.11203	1.4
181.04987	0.8
181.12238	22.4
183.10211	1.5
185.70284	0.9
205.12273	2.1
223.13312	2.2
307.15381	1.7
317.88263	1.0
325.16437	0.8
343.17429	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03936	8.5
55.01859	8.1
55.05513	17.4
57.03420	7.0
57.07065	10.9
59.04996	6.1
67.05499	34.7
69.03416	13.0
69.07067	39.5
70.04060	3.6
70.07393	6.6
70.66317	4.2
70.66662	5.7
71.04990	19.2
79.05490	29.6
81.03402	4.9
81.07055	46.0
83.04974	7.0
83.08627	5.4
85.06538	7.1
91.05474	49.4
93.07046	88.2
95.04961	60.1
95.08605	99.3
97.06510	18.1
103.05455	5.8
105.07033	89.7
107.04923	11.8
107.07874	5.0
107.08580	59.7
108.62831	2.8
109.06505	21.0
109.10132	8.9
115.05453	7.3
115.06557	3.0
117.07019	39.9
119.08577	36.0
121.06484	20.9
121.10135	16.5
123.08061	30.5
123.11739	3.6
125.05975	5.5
128.06226	6.2
129.06955	7.4
130.07805	16.1
131.08554	13.3
133.06479	10.0
133.10136	20.7
135.08067	26.2
135.11650	15.8
137.05962	5.1
137.09613	7.8
142.07758	8.2
143.08586	11.6
145.10115	100.0
147.04376	4.7
147.08067	20.6
147.11656	8.5
149.09616	9.7
151.07547	60.9
153.09100	4.6
155.10628	4.2
156.09311	5.9
157.10144	13.3
158.97658	25.7
159.08046	3.8
159.11700	12.4
159.97952	25.1
160.97331	30.4
161.09607	10.4
161.13318	4.8
163.09860	5.0
163.11179	72.7
165.09070	23.0
167.08548	3.3
169.10149	6.8
171.11671	8.7
173.09671	6.5
173.13281	7.9
174.95248	3.0
175.11183	9.7
177.09097	6.5
179.07088	6.7
181.10146	5.6
181.12242	3.0
183.11635	3.8
187.11240	7.1
187.14778	3.3
189.09055	3.3
189.12729	11.4
191.14301	5.8
195.11746	3.2
199.11165	3.8
203.14345	9.1
207.11821	4.4
207.13808	9.0
209.13399	4.0
209.15395	5.7
215.14348	3.9
217.12273	7.5
221.15372	36.9
223.14772	5.0
225.12708	4.6
233.15332	4.4
240.23102	6.7
245.15442	4.7
263.16370	6.3
269.15280	5.1
286.19388	4.6
287.19901	3.6
288.53513	2.7
325.21484	15.7
326.12527	3.2
343.08011	27.0
343.22656	94.4
343.25891	4.0
344.07401	20.3
344.22992	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	5.0
55.01862	8.1
55.05513	18.6
57.03429	11.2
57.07063	12.0
59.04990	5.1
59.10266	2.6
65.03939	2.6
67.05247	2.4
67.05504	26.8
67.22691	2.8
69.03419	11.8
69.07056	7.4
70.45427	2.5
70.68520	5.0
70.68840	4.5
71.04993	22.4
77.81320	3.0
79.05495	29.9
81.03433	3.4
81.06648	3.7
81.07056	39.1
83.04949	8.0
83.08608	6.4
85.06546	5.7
91.05485	44.5
93.07043	94.5
95.04380	4.8
95.04979	70.9
95.08608	96.9
97.06537	15.8
103.05472	7.2
105.07040	97.2
107.04970	6.2
107.08601	64.9
109.06521	21.0
109.10139	9.8
111.08063	5.3
112.10301	2.6
115.05414	8.0
116.06260	4.3
117.07017	42.3
119.08590	43.5
121.06503	24.6
121.10133	19.7
122.07230	3.5
123.08073	36.6
125.06007	3.5
128.06241	5.2
129.07010	7.7
130.07808	22.1
131.08562	12.7
133.06506	8.5
133.10106	17.1
135.08058	27.3
135.11711	17.8
137.06007	6.1
137.09596	8.5
141.06972	3.6
142.07768	5.6
143.08577	16.4
145.10120	100.0
147.08028	19.2
147.11662	8.7
149.09644	8.2
150.92851	2.7
151.07542	61.0
153.09090	6.1
155.08548	4.1
157.10098	13.2
159.08031	5.7
159.11673	11.2
161.09686	13.3
161.13277	5.9
163.11201	83.2
165.06934	3.6
165.09111	24.2
167.08501	5.7
169.10130	8.6
171.11682	8.4
173.09666	6.1
173.13228	5.5
175.11200	7.6
177.09079	7.6
179.07079	7.8
182.10968	3.1
183.11746	4.7
185.09575	3.5
185.13104	3.1
187.11205	9.1
189.12761	11.2
191.08658	3.0
191.10674	3.5
191.14310	8.2
195.11613	3.1
197.13297	4.5
203.14287	13.6
207.11943	3.2
207.13829	7.8
209.15302	5.0
215.14351	4.8
221.15358	32.6
223.14815	5.3
233.15350	5.4
240.23265	9.2
241.15909	3.9
263.16431	9.1
286.19162	6.4
325.21722	18.4
325.48517	3.4
343.22662	97.4
343.25854	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	Sargachromanol A
Peak:m/z	Relative Intensity
55.05505	3.2
59.21789	0.5
64.62476	0.6
67.05505	4.9
67.70108	0.6
69.03437	1.2
69.07068	2.0
69.42953	4.4
70.13208	0.6
71.04990	2.1
76.05787	0.5
78.12967	0.6
79.05482	2.5
81.07056	6.9
83.04987	1.2
83.08606	1.4
85.06547	1.6
91.05472	3.3
93.07046	7.4
95.04960	2.3
95.08607	10.6
98.10410	0.7
99.08085	0.9
104.29904	0.6
105.02583	0.6
105.07030	8.0
107.04990	0.8
107.08582	5.0
109.06511	1.8
109.10153	4.2
111.04430	2.2
111.08060	0.8
113.09630	0.9
117.07001	1.1
119.08569	6.8
121.06541	1.4
121.10139	4.1
123.08071	13.1
123.11693	0.8
131.08578	1.3
133.10135	2.4
135.08061	4.4
135.11659	2.9
137.06003	1.0
137.09590	3.0
139.11253	0.8
143.08578	0.6
145.10124	3.7
147.04390	1.0
147.11684	3.4
149.09552	0.8
151.07547	100.0
152.07890	1.5
159.08028	0.7
159.11707	1.8
160.08914	0.6
161.06021	1.0
161.13220	4.4
162.06802	0.9
163.07530	1.5
163.11205	2.6
163.14824	1.3
165.09113	2.7
173.09674	2.5
174.06891	0.7
175.07596	1.6
175.11211	0.9
175.14815	0.8
176.08345	2.6
177.09108	7.2
177.37587	0.6
179.14346	1.1
185.13222	0.6
187.14847	1.2
188.08249	0.9
189.09064	3.3
191.10674	38.0
192.11067	0.8
199.11145	0.8
201.09103	0.7
202.09901	0.7
203.10657	4.6
205.12187	3.3
205.15921	1.8
215.10760	0.8
217.12314	3.0
229.12181	1.6
231.13899	1.3
240.23209	2.1
255.13811	0.8
269.15454	1.0
285.18515	3.4
311.09308	0.8
325.21616	4.3
343.18759	1.1
343.22678	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	38.3
57.03431	7.5
57.06871	2.9
57.07076	30.9
58.63314	3.5
60.32091	3.6
62.06075	4.7
67.05505	45.5
69.07076	49.7
71.08633	13.3
79.05492	31.4
81.07064	60.1
83.08618	31.5
85.10193	8.9
86.58660	3.4
87.41829	3.5
91.05494	6.2
93.07054	39.9
95.08614	60.2
97.06544	17.6
97.10170	19.7
97.16705	3.8
105.07038	4.7
107.08600	39.4
109.10171	23.5
111.08075	10.2
111.11708	5.6
119.08578	6.9
121.10155	52.7
123.08061	4.2
123.11673	7.6
125.09620	7.8
133.10147	4.6
135.11710	37.7
137.13225	10.5
139.11169	7.5
145.10109	7.8
149.13284	21.0
151.14883	5.7
163.14799	9.6
215.18089	6.2
233.22667	40.9
240.23260	10.9
251.23715	31.6
325.27454	22.1
343.22711	10.1
343.37659	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01863	4.2
55.05276	5.9
55.05516	73.6
57.03434	13.6
57.07084	45.3
65.03945	2.9
67.05510	80.1
67.76862	2.7
69.07076	95.5
69.86401	15.4
71.04979	6.0
71.08641	32.7
79.05499	56.8
81.07065	100.0
83.04989	3.9
83.08160	3.7
83.08631	62.5
85.06555	4.6
85.10178	10.7
91.05472	13.0
93.07056	75.6
94.26663	3.2
95.08618	85.0
97.06537	33.9
97.10181	41.3
103.03948	6.9
105.07014	11.7
107.08600	49.2
107.38916	2.8
109.10161	39.7
111.08093	13.0
111.11730	15.1
117.07027	8.1
119.08574	6.0
121.09335	6.2
121.10159	94.1
123.11701	18.7
125.09646	10.6
129.07030	5.0
131.08586	10.5
133.10129	4.4
135.11697	76.5
137.13261	11.8
139.11214	7.3
143.08580	3.5
145.10118	11.3
149.13280	33.8
151.14822	14.1
153.12805	6.4
161.13326	3.1
163.14864	18.5
173.13278	3.3
177.16356	13.4
181.15942	4.5
191.17972	4.7
233.22656	79.6
240.23187	4.5
251.23727	66.7
270.00998	3.0
287.31409	5.8
297.06506	3.8
325.27618	29.3
343.11844	3.5
343.26068	28.7
343.37668	83.1
367.16394	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03117	3.2
52.81105	2.6
53.03932	4.4
55.01872	6.6
55.05276	5.2
55.05517	65.9
57.03441	16.7
57.06830	3.9
57.07077	42.2
59.04991	4.3
64.89856	3.1
67.05184	5.2
67.05512	64.7
69.07072	91.0
69.45647	6.9
69.46063	16.7
71.04990	6.3
71.08634	26.5
79.05499	54.3
81.07064	97.4
83.04996	4.9
83.08625	70.0
83.51741	3.3
85.06567	4.3
85.10176	14.6
91.05475	11.7
93.07050	74.1
95.04955	3.1
95.08617	88.5
97.06544	35.1
97.10175	39.3
99.08063	3.6
103.03927	6.9
105.07035	10.1
107.08598	55.1
109.10165	42.7
111.08107	16.2
111.11726	11.2
119.08562	6.4
121.10155	100.0
123.11710	17.2
125.09642	9.8
125.13239	4.0
131.08578	3.0
135.10698	5.0
135.11688	72.1
137.13254	11.9
139.11171	10.5
139.22256	2.9
149.13269	32.7
151.14827	11.0
153.12692	7.1
163.14838	11.4
177.16420	7.1
181.15891	4.0
210.13695	3.5
233.22681	88.6
240.23141	8.1
251.23715	59.3
269.24750	8.3
325.27371	38.0
343.22568	4.0
343.28857	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	343.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15036	5.8
55.05505	19.4
57.07081	13.5
67.05505	34.9
69.07066	49.7
71.05000	7.0
73.24377	5.4
79.05493	23.2
81.07063	83.0
83.08617	23.2
85.06537	7.6
91.05486	22.6
93.07050	68.6
95.04927	8.5
95.08615	88.0
97.10158	11.1
105.07039	39.1
107.08599	76.6
109.10155	78.8
111.08093	9.8
111.11719	7.5
119.08579	38.9
121.10145	71.4
123.11700	30.0
125.09670	8.2
127.11224	10.2
131.08597	12.0
133.10147	32.8
135.11703	58.5
137.13228	10.3
139.11180	6.3
145.10091	22.0
147.11708	50.8
149.13271	100.0
157.10120	9.8
159.11699	15.8
161.13286	19.5
163.14809	10.1
173.13286	16.7
175.14767	16.4
177.16399	27.8
187.14807	13.8
189.16415	18.6
191.17883	10.0
193.15704	5.7
201.16400	13.5
203.17921	21.1
215.18056	11.5
243.21017	6.2
285.25711	16.2
325.28668	29.5
343.29959	79.7
343.33749	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	343.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01865	4.3
55.05509	19.9
57.07063	5.6
66.15655	3.1
67.05506	33.8
69.06732	2.9
69.07071	33.1
69.40942	17.0
71.08626	2.1
72.40081	2.4
74.64915	2.1
78.31058	2.1
79.05501	22.5
81.06595	3.7
81.07060	66.5
82.07316	1.9
83.04967	3.0
83.08629	20.4
85.42841	2.0
91.05485	25.6
93.06480	3.4
93.07053	59.0
95.04930	3.0
95.08611	73.9
97.06538	3.1
97.10165	16.4
105.07032	38.5
107.08606	27.6
109.10163	54.3
110.86832	2.2
111.08076	6.1
111.11708	3.7
115.00729	2.1
119.08587	45.3
121.10149	84.1
123.08057	15.8
123.11713	30.0
125.09607	8.5
131.08540	7.0
133.10121	29.3
135.11705	24.5
137.09612	17.8
137.13306	4.3
143.08611	3.5
145.10121	17.2
147.11691	100.0
149.13261	27.5
151.11139	9.9
159.11696	10.8
161.13254	12.3
163.11230	3.1
163.14796	8.5
165.12769	24.8
171.11522	2.0
171.21068	2.0
172.12561	1.9
173.13235	4.3
175.14873	4.8
177.16333	7.9
179.14291	2.7
179.17894	3.0
181.15787	2.5
187.14783	8.0
189.16360	5.2
195.17424	7.1
201.16429	5.2
203.17918	2.6
205.15572	2.5
207.17462	2.4
215.17917	6.2
217.19478	4.1
229.19443	3.5
241.19534	3.2
243.21065	22.7
257.22580	2.8
261.22205	9.7
269.22638	4.9
287.23679	2.4
325.25208	4.1
325.28928	62.8
343.26071	4.1
343.29980	42.1
343.34076	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80169	2.3
52.59115	2.8
55.05519	14.6
56.08527	2.6
57.20591	2.5
58.06568	3.1
64.21387	2.8
67.28201	2.6
69.03436	5.7
70.06593	11.5
71.51080	4.9
72.08156	100.0
73.08499	4.5
74.06086	3.8
84.04526	5.1
84.08156	25.2
85.02904	3.3
85.06541	4.1
86.09713	23.7
87.10034	3.1
89.06033	10.7
91.05484	7.1
97.02880	4.8
98.97615	3.1
116.07042	4.7
119.04930	16.4
129.10249	6.7
133.08600	7.1
136.07597	3.9
143.11830	21.0
147.04408	57.6
149.88641	3.0
165.05455	24.3
171.11327	3.2
174.94804	2.9
342.50720	3.5
345.11591	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	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80169	2.3
52.59115	2.8
55.05519	14.6
56.08527	2.6
57.20591	2.5
58.06568	3.1
64.21387	2.8
67.28201	2.6
69.03436	5.7
70.06593	11.5
71.51080	4.9
72.08156	100.0
73.08499	4.5
74.06086	3.8
84.04526	5.1
84.08156	25.2
85.02904	3.3
85.06541	4.1
86.09713	23.7
87.10034	3.1
89.06033	10.7
91.05484	7.1
97.02880	4.8
98.97615	3.1
116.07042	4.7
119.04930	16.4
129.10249	6.7
133.08600	7.1
136.07597	3.9
143.11830	21.0
147.04408	57.6
149.88641	3.0
165.05455	24.3
171.11327	3.2
174.94804	2.9
342.50720	3.5
345.11591	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	344.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	1.9
56.77580	1.2
57.03439	1.6
59.05006	63.8
61.02925	2.0
69.03435	4.9
70.06600	16.2
70.19297	5.6
72.08168	8.7
74.06091	3.4
77.06052	3.1
84.04505	5.2
84.08150	7.6
85.02906	17.9
86.09709	12.3
89.06042	21.3
91.05501	2.1
97.02901	5.5
98.97620	1.9
103.07587	60.8
104.05320	1.5
110.07128	1.8
111.46197	1.4
112.08709	1.4
116.07111	5.9
116.98682	1.9
119.04937	3.5
122.34480	1.4
129.10248	4.3
132.08147	1.5
132.10219	3.5
133.08586	9.1
136.07570	4.7
137.06012	2.7
139.86177	1.5
140.07079	2.1
143.03236	3.4
145.04941	2.8
147.04437	3.0
154.08585	1.7
164.07100	6.2
165.11244	100.0
182.11670	1.6
189.09212	1.7
215.54741	1.5
298.42499	1.7
344.13330	9.4
345.22202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2545
Annotation	Ile Val Ile
Peak:m/z	Relative Intensity
52.09103	0.5
53.03937	0.5
55.05517	6.3
57.05801	0.6
69.03446	0.7
69.07078	1.1
70.06587	2.9
70.26289	0.5
70.26644	1.9
72.08161	68.6
83.08616	1.4
84.08149	1.5
85.02917	0.8
86.09713	100.0
87.10029	0.9
98.21507	0.6
100.10603	0.7
100.11265	13.3
101.10976	0.8
101.11582	5.0
110.09645	0.5
129.10225	1.1
132.10202	2.4
146.93921	0.5
149.20015	0.6
163.07419	0.5
168.04587	0.5
185.16508	64.6
186.16847	1.1
209.16330	0.7
210.16776	1.0
213.16005	25.2
231.17065	5.8
344.11826	0.7
344.19635	0.6
344.31070	13.9
345.05853	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.3161
Annotation	C2-dihydroceramide
Peak:m/z	Relative Intensity
50.34660	1.2
55.05516	9.5
56.05038	14.5
57.07074	5.8
58.06587	2.3
60.04527	14.1
62.09362	1.0
66.20383	1.1
67.05514	11.4
68.05031	3.9
69.03394	1.3
69.07076	7.9
70.02946	2.1
70.06580	5.1
71.08621	3.0
71.51223	1.3
72.04511	6.3
74.06081	27.5
79.05485	3.4
80.05045	1.2
81.07055	12.9
82.06579	3.1
83.08620	5.8
84.04506	25.8
84.08140	5.2
86.06069	18.2
87.04446	1.6
88.07652	1.8
91.05479	3.0
93.07054	1.8
94.06547	1.5
95.08616	11.9
97.10166	4.4
98.06074	1.8
102.05545	24.8
105.07014	1.4
107.08578	2.0
109.10168	5.7
112.07625	2.9
121.10095	1.5
126.09157	5.8
140.10675	3.8
151.11366	1.2
246.11400	1.5
278.28418	13.3
280.30063	2.5
282.27740	1.7
296.29422	2.9
298.31064	1.6
308.29471	50.4
326.30551	100.0
327.30737	1.9
344.27231	1.6
344.31577	12.8
344.35358	1.8
345.23880	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16284	1.5
55.80463	1.4
56.96554	2.1
57.03418	2.2
58.99865	18.1
61.02915	2.4
68.98312	7.7
69.03437	19.4
69.56679	8.9
70.06605	11.4
70.99857	15.7
72.08151	5.8
72.93803	1.7
73.01421	3.2
73.02901	2.2
77.00909	8.5
81.03420	3.4
82.99831	8.9
83.30739	1.3
84.08134	3.1
85.01400	5.2
85.02910	7.2
86.99341	7.9
89.00891	6.5
91.02440	6.6
91.05483	1.8
95.01361	7.3
95.01867	2.1
97.01379	5.0
97.02875	4.9
98.20827	2.7
98.97591	1.7
101.00890	81.9
103.00610	2.0
103.02456	16.6
105.00368	6.7
109.01369	1.8
109.03482	1.8
110.97577	2.0
111.02963	1.6
112.08705	1.7
113.00876	12.5
115.02433	20.7
117.04003	4.5
119.01929	100.0
119.04811	1.9
120.02065	1.7
121.03469	6.2
125.00848	4.5
126.98783	18.0
127.02430	13.0
127.03912	2.2
128.96254	1.6
129.00313	1.4
129.03983	17.8
129.10231	2.7
131.01909	29.2
132.95880	2.9
133.03481	24.4
135.05025	1.9
136.07545	5.9
137.00835	2.4
137.02963	6.2
139.02402	6.7
141.00375	1.6
141.01756	2.6
141.03999	3.7
143.01898	21.0
143.11803	2.2
144.99832	46.6
145.03467	37.5
147.01427	10.4
147.05049	10.9
149.02966	5.6
153.00304	4.5
154.98299	8.2
155.01897	29.8
156.99867	5.5
157.03468	21.8
159.01408	7.8
159.05011	6.4
161.02992	17.4
163.00871	4.9
163.04510	5.2
168.99825	28.6
169.03389	2.0
171.01395	27.1
172.99353	58.4
173.00873	3.0
173.02966	59.4
175.00888	51.6
175.02451	2.7
175.04521	5.0
175.11975	1.6
177.02460	18.8
180.99843	2.6
183.01363	3.3
185.02892	11.2
187.00882	50.5
187.04526	3.8
189.02409	14.6
191.00412	23.3
191.04028	20.3
193.01921	14.8
195.01396	4.5
196.99379	15.6
197.02983	10.1
198.02557	1.8
199.00879	32.1
201.00845	1.8
201.02484	9.7
203.04057	9.9
205.00124	3.3
205.01958	33.1
211.00841	3.6
211.15581	2.3
213.02435	8.3
215.00386	54.5
215.03658	2.0
217.01926	29.1
219.01680	2.0
219.03510	6.2
220.99376	2.7
223.00877	22.5
223.03017	7.6
224.98976	3.0
225.02469	9.1
227.00363	2.1
229.02016	13.0
231.03569	9.7
237.02441	1.8
239.00372	12.0
241.01982	24.1
242.99879	23.0
243.03520	6.0
245.05067	2.2
247.03033	24.0
248.98955	2.7
249.04594	4.0
251.00398	9.7
253.01979	2.0
255.03540	5.5
257.01453	15.4
259.02969	4.9
261.00919	16.2
266.99890	5.0
269.01437	12.0
270.99405	6.8
271.02902	3.9
273.00888	2.2
273.04648	1.6
275.02521	20.3
283.02908	2.5
285.00980	12.9
287.02762	2.2
289.00510	9.1
303.01990	21.3
313.00381	5.1
321.03018	6.7
331.01407	4.6
345.02997	2.9
345.09454	8.2
345.22440	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	345.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50319	2.1
55.01868	2.8
56.96577	2.7
57.03430	2.9
58.99856	14.4
61.02925	5.2
68.98299	3.2
69.03438	20.7
69.44903	12.5
69.45303	4.5
70.06602	17.7
70.99873	12.5
72.08161	12.0
73.01421	2.4
73.02933	2.5
77.00904	9.2
81.03413	4.7
81.66859	2.2
82.99845	6.7
84.08161	3.5
85.01414	6.4
85.02911	11.5
86.09742	2.7
86.99334	9.5
87.66656	2.4
89.00913	5.0
91.02476	6.1
91.05492	5.6
95.01335	4.2
97.01412	4.5
97.02875	10.5
98.97589	4.2
101.00894	63.9
103.00600	2.2
103.02443	17.0
105.00367	10.4
109.01363	2.4
112.08754	4.8
113.00867	14.0
115.02430	22.1
116.07094	3.7
116.98627	2.2
117.04014	5.0
118.01005	2.2
119.01928	100.0
119.04918	4.2
120.02010	3.6
121.03506	4.4
125.00933	2.3
126.98787	21.0
127.02413	10.4
127.03930	4.6
129.00304	2.4
129.04010	19.0
129.10228	3.1
131.01920	31.0
132.95836	3.6
133.03502	21.0
136.07582	20.4
136.41019	2.1
137.00822	4.1
137.02982	10.7
139.02437	3.2
141.04034	4.1
143.00204	2.4
143.01932	23.3
143.11775	4.3
144.99844	53.3
145.03477	36.8
147.01389	9.3
147.05099	12.9
149.02940	6.5
154.98273	5.2
155.01912	25.9
156.97556	3.2
156.99829	3.9
157.03503	24.9
159.01416	6.6
159.05069	10.8
161.02946	19.2
163.00923	3.7
163.04478	5.3
168.99823	35.5
169.03575	2.9
171.01421	27.5
171.04980	3.1
172.99344	60.2
173.01389	3.3
173.02963	64.7
175.00902	52.2
175.04559	6.0
175.11900	3.4
177.02431	19.2
179.01939	4.1
183.01437	4.9
185.02972	8.7
187.00883	57.2
187.04443	4.6
189.02457	16.0
191.00380	24.4
191.04015	29.2
193.01910	15.4
195.01445	3.6
196.99306	16.5
197.02957	7.3
199.00923	31.5
201.02463	6.3
203.04135	12.0
205.00085	3.1
205.01930	34.3
210.02530	2.6
211.00887	5.5
213.02460	9.4
215.00400	62.8
215.03810	3.6
217.01979	27.9
219.03537	8.1
223.00897	21.4
223.03053	8.7
224.98708	2.7
225.02512	9.8
225.94150	2.7
229.01936	18.1
231.03622	10.3
239.00337	11.7
241.01965	20.0
242.99913	18.7
243.03519	6.7
245.05136	5.1
247.02998	31.9
248.98891	5.5
249.04510	2.7
251.00386	15.3
253.02292	3.3
255.03526	5.2
257.01422	12.7
259.03070	5.6
261.00937	14.2
266.99991	6.7
269.01474	8.8
270.99466	6.1
271.03140	6.1
275.02554	23.2
285.01050	13.0
287.02579	2.8
289.00302	6.9
303.02060	30.6
313.00424	7.5
321.03040	9.3
328.11676	2.4
331.01328	3.4
345.09183	3.3
345.22473	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	345.0971
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
53.03969	0.5
57.07105	0.6
64.76831	0.4
65.03964	1.0
67.05564	0.6
70.06646	0.4
70.56711	1.5
70.57064	0.5
79.05517	1.0
81.07111	1.5
82.38860	0.6
85.02982	0.7
91.05563	0.6
95.04997	0.6
95.08636	1.1
96.02206	0.6
103.05553	0.7
105.07036	0.9
107.05038	1.7
109.10201	0.5
111.04514	1.8
121.06544	1.1
123.04480	1.1
123.11766	0.6
131.04988	1.3
133.02904	0.6
137.05995	5.2
137.06943	0.6
139.03963	1.0
144.85852	0.5
149.06084	1.4
151.03938	1.0
153.01828	2.3
153.07030	0.8
156.05824	0.9
161.02420	0.5
161.05984	1.0
163.03961	1.8
165.07072	0.7
167.05048	0.9
167.07133	2.2
169.06500	0.8
170.02144	0.7
171.08127	2.2
175.07545	0.6
177.05585	0.9
178.02740	0.8
178.06259	5.6
178.07677	0.7
179.08615	0.6
181.06528	0.8
183.02925	0.5
184.05316	1.7
189.05548	1.0
191.07161	1.7
197.06062	0.9
198.06813	1.7
199.07608	2.9
201.05450	0.6
211.03975	0.6
211.07603	0.6
212.04752	1.2
213.05544	1.1
213.09079	1.0
214.51076	0.7
215.07080	0.5
216.04214	3.7
216.07777	0.6
217.05058	1.6
226.06340	1.3
227.03526	1.1
227.07028	3.9
228.04292	1.2
229.04973	1.3
231.02921	0.8
231.06575	2.3
231.10162	0.9
237.05531	0.9
241.04926	2.3
241.08711	1.6
243.06584	1.7
244.03716	1.9
253.05119	0.9
253.08408	0.7
254.05698	0.6
255.02887	15.5
255.06523	4.1
257.04388	0.5
259.05972	4.2
259.09714	1.3
267.06555	0.8
269.04456	3.7
269.07822	0.5
271.06158	0.9
272.03217	1.4
281.04303	0.8
283.02472	2.3
283.06067	3.9
283.09357	0.8
284.03186	1.2
284.06882	0.9
285.11108	0.8
287.05551	12.3
287.09155	5.7
297.03955	3.5
297.07166	0.7
299.05557	5.0
299.08847	0.8
300.02664	6.6
311.05588	0.9
312.06219	1.2
313.07141	1.8
313.10785	2.6
313.58115	0.6
314.11551	0.6
315.05008	65.0
315.08444	4.5
316.05450	0.9
317.10220	0.8
327.12332	0.8
329.06570	2.2
330.07327	19.2
345.09689	100.0
345.18530	2.2
346.09933	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0972
Annotation	8,3'-Dihydroxy-5,7,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01933	0.4
57.07143	0.5
66.86064	0.4
67.05556	0.8
70.47237	0.4
79.05561	1.0
81.07137	0.9
83.05092	0.6
85.02969	0.6
91.05566	1.0
93.07096	0.5
95.05035	0.6
95.08696	0.9
103.05563	0.5
105.07125	0.9
107.05073	2.0
107.08688	0.5
109.10255	0.5
111.04449	2.2
115.05534	0.5
119.08669	0.5
121.02988	0.7
121.06610	1.2
123.04538	1.1
123.11824	0.8
128.06366	0.6
130.65973	0.4
131.05043	1.8
131.08594	0.4
133.02922	0.8
135.04532	0.8
137.05988	4.9
139.03946	0.9
139.05573	0.7
145.06606	0.7
145.10143	0.6
148.05334	0.4
149.06012	0.8
153.01826	2.5
153.07124	0.8
156.05893	0.6
161.02470	0.6
161.06061	1.0
163.03935	2.4
165.05515	0.6
167.04988	1.1
167.07051	2.5
170.02246	0.6
170.07321	0.5
171.08107	2.1
173.06035	0.5
175.03986	0.5
177.05643	0.6
178.02789	0.7
178.06274	5.0
178.07571	0.6
181.06587	0.9
182.07410	0.5
183.03011	0.5
183.04514	0.6
183.13882	0.5
184.05174	2.3
185.06059	0.5
191.07063	2.2
195.08203	0.7
197.06084	0.8
197.09601	0.4
198.06747	2.2
199.07541	3.2
201.05669	1.0
203.03566	0.5
203.07202	0.5
204.04259	0.6
204.15364	0.5
207.08150	0.5
209.06053	0.8
210.06931	0.6
211.03999	0.7
211.07564	0.6
212.04741	1.4
213.05630	0.9
213.09250	1.3
216.04155	4.3
217.05037	1.3
223.07504	0.6
225.09201	0.5
226.06245	1.3
227.03551	1.4
227.07051	5.1
228.04283	1.1
229.05045	1.1
231.02914	0.6
231.06558	2.3
231.10239	1.3
237.05449	0.7
239.07133	0.7
241.05084	1.9
241.08698	1.2
243.06664	1.4
244.03665	3.2
244.07353	0.5
254.05980	0.6
255.02992	16.6
255.06596	4.1
256.03448	0.5
257.04724	0.7
259.05975	4.2
259.09769	1.8
269.04556	3.4
269.08081	0.6
271.06125	0.9
272.03275	1.4
280.73483	0.4
281.04492	0.7
283.02454	2.8
283.06113	4.0
283.09369	0.9
284.03244	1.2
284.06778	1.2
285.11130	0.9
287.05569	10.6
287.09186	7.7
295.09674	1.0
297.03986	3.0
299.05612	5.5
299.08899	0.7
300.02710	4.7
301.07300	0.6
312.06308	2.0
313.07144	1.5
313.10742	2.2
315.05029	63.2
315.08481	4.4
316.05432	1.6
317.10388	0.7
329.06659	1.5
330.07346	19.9
331.07556	1.0
336.56689	0.5
345.09698	100.0
345.12827	3.8
346.10138	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
56.05030	0.9
60.05654	1.1
65.03913	0.6
69.03449	1.7
70.06598	17.7
71.08847	0.6
71.09174	1.3
72.08163	9.6
79.05494	1.5
81.03420	1.5
81.07066	0.8
84.04527	1.0
84.08149	4.2
85.02901	1.7
86.09729	4.5
88.07684	0.7
91.05481	4.0
94.04181	2.4
95.04959	1.2
97.02930	0.8
98.97588	0.8
103.05441	1.1
107.04965	1.5
109.06534	1.7
110.07160	0.9
111.04416	0.8
112.08721	2.4
114.27374	0.6
115.05500	1.6
115.08711	0.9
116.07100	2.0
119.04967	1.1
120.08113	2.0
121.06527	1.5
122.03648	7.8
123.04398	0.9
128.11392	0.7
129.10240	2.6
131.04909	1.1
133.02869	0.8
136.07578	1.3
137.05988	100.0
138.06308	0.8
143.04926	1.3
143.11824	1.5
147.04425	3.0
149.06021	2.7
157.10834	0.8
158.09340	0.7
159.04446	1.2
161.06038	3.3
163.07513	1.4
165.05621	1.6
165.07011	2.1
169.13310	0.7
175.07558	3.0
175.11917	1.7
176.04755	0.8
178.07790	1.2
179.08540	1.2
181.06505	1.4
182.07262	1.0
183.11287	1.6
188.00575	0.7
191.07069	3.4
193.06427	1.0
195.08127	0.9
197.06056	0.7
203.07027	1.5
205.06503	1.1
207.08081	2.1
209.16643	0.7
210.06731	1.9
221.05997	2.3
224.08287	0.9
225.09164	2.6
225.17125	1.5
233.06079	1.3
234.06744	1.7
235.07561	1.0
237.09180	2.3
238.06284	1.5
249.09180	1.2
251.07118	1.1
252.07896	1.1
253.08670	2.8
255.06557	1.1
265.08667	3.5
267.10144	2.8
277.08630	2.2
279.06778	1.0
282.08881	0.9
285.04352	0.8
285.08542	0.7
285.11212	3.9
285.14041	0.7
287.10980	8.4
294.08923	2.2
295.09711	0.8
297.11334	2.2
309.11249	3.3
327.12350	1.0
328.19791	1.0
345.15543	16.4
345.22333	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	345.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88898	0.4
53.03948	1.0
55.01872	0.9
55.05514	0.9
65.78966	0.4
67.05514	1.1
67.64863	0.4
69.07072	0.8
69.85739	2.0
79.05493	1.9
81.03423	0.7
81.07065	2.7
83.04993	0.9
85.02900	0.9
91.05479	3.2
93.07037	2.6
95.04983	1.8
95.08604	1.3
103.05482	0.6
105.07038	1.5
107.04961	100.0
108.05315	1.3
109.02921	0.5
109.06550	0.5
109.10159	0.8
111.04429	0.6
111.08099	0.5
115.05518	0.5
115.67079	0.5
119.04916	2.9
119.08630	0.7
120.08092	0.6
121.06522	5.6
121.10155	0.9
123.11712	0.4
131.04938	1.3
131.08601	0.5
133.06479	0.6
133.10143	0.8
135.08038	0.5
137.05988	5.9
143.08507	0.6
145.06511	0.7
147.04422	18.7
147.11708	0.5
148.07530	2.3
149.05997	4.3
151.03922	0.7
163.07480	0.6
165.05527	0.5
165.07001	0.7
167.07086	0.8
167.08601	0.5
175.07607	0.8
179.07051	3.9
191.07079	1.1
197.91423	0.5
211.07607	0.7
267.10095	1.0
281.11652	0.8
295.09753	0.8
309.18375	0.5
313.10803	3.1
345.13522	3.4
345.20444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75328	2.8
53.03948	4.7
54.55664	3.4
55.01869	9.7
55.05508	11.8
57.03442	6.7
59.04984	3.4
61.02927	15.2
67.05511	6.2
69.03436	40.9
69.07063	12.1
69.74357	19.3
69.96906	3.0
70.06593	11.5
71.04998	70.8
72.08160	31.3
73.02908	5.8
73.06558	39.9
73.08488	7.7
79.05492	27.7
81.03408	17.3
81.07060	54.4
83.05002	5.8
84.08117	4.2
85.02908	100.0
85.06528	17.1
86.09712	62.9
87.04469	5.7
87.09507	5.6
87.10049	23.7
91.05493	11.8
93.07056	36.6
93.12331	2.7
95.04985	7.1
95.08613	31.0
96.13028	3.4
97.02901	33.1
97.06532	41.4
99.04452	4.3
99.08102	86.2
105.07042	21.2
107.08597	19.6
108.87429	2.8
109.02887	13.2
109.06520	8.9
109.10158	11.8
111.08077	12.8
113.24187	3.0
119.08601	8.7
120.08112	3.4
121.06512	4.2
121.10127	10.7
123.08121	8.9
123.11733	8.0
127.03913	18.7
127.07548	47.7
131.04941	4.6
137.02370	3.8
137.05980	19.2
137.13284	26.8
139.07501	3.5
139.11188	6.1
145.04999	17.5
145.10240	3.8
147.04388	3.9
147.11716	29.0
151.03932	10.3
165.12779	39.5
170.38742	2.8
181.06870	3.2
183.13811	71.2
185.16528	12.8
186.16896	17.2
187.34724	3.2
191.06931	6.5
213.15952	5.4
214.16359	10.1
243.12338	11.4
303.05008	3.3
313.10730	9.8
345.06274	7.4
345.12048	11.4
345.22614	4.2
350.97455	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	345.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
55.05507	1.1
56.05040	1.8
56.96568	14.9
57.03437	2.3
60.04535	0.8
60.05654	11.5
61.02936	1.5
67.05508	0.6
68.05036	0.7
69.03439	7.0
69.07081	1.9
70.06597	100.0
70.30700	1.1
70.31068	1.0
70.98125	1.7
71.05005	8.2
71.06929	0.7
71.95262	1.2
72.07764	0.7
72.08158	10.2
72.93771	0.8
73.02920	2.2
74.03250	0.6
74.06089	7.0
79.05476	0.6
81.03426	2.3
82.99850	0.9
84.04523	2.2
84.08148	9.9
84.96039	2.0
85.02911	9.9
85.08506	0.8
86.03262	0.6
86.06080	0.7
86.09711	37.0
86.40279	0.5
87.04479	1.3
87.05592	0.8
87.10017	0.6
88.07651	3.7
90.94833	0.6
91.03999	0.6
91.05498	1.9
95.06097	0.8
97.02900	6.0
97.06560	0.7
97.07661	1.3
98.06078	2.4
98.09734	0.4
98.97587	18.3
99.04480	1.5
99.97927	1.1
100.05122	0.7
101.00890	5.2
101.07158	0.8
102.05561	0.9
107.04945	1.5
109.02860	1.3
110.07176	0.8
110.97563	3.6
112.08733	22.9
112.99165	0.6
113.00899	1.0
113.07178	1.6
115.02462	1.2
115.08698	3.4
116.07099	20.2
116.98634	7.6
117.99010	0.5
119.01929	12.4
119.02722	1.0
119.04984	1.3
120.02066	0.6
121.01623	0.5
122.07156	1.5
123.04521	0.6
124.99126	0.8
126.97138	0.5
127.00689	1.0
127.02446	0.6
127.03955	3.4
128.98628	3.5
129.10257	4.6
130.04999	0.9
130.08688	0.5
130.09731	0.7
130.93330	2.0
131.00214	0.7
131.01927	2.6
131.08147	3.9
132.00816	0.7
132.10242	1.2
132.95872	0.8
133.03482	1.1
134.99680	2.2
136.07588	6.3
137.02995	2.3
137.05978	1.6
137.07977	2.2
138.06621	0.9
138.12805	1.2
140.08192	5.2
140.98691	0.7
141.06613	0.7
142.07140	1.0
142.09819	0.7
143.00185	1.7
143.01907	1.9
143.11790	2.5
144.08731	1.2
145.01788	0.6
145.03471	1.4
145.04965	1.3
146.99649	1.6
147.04413	1.2
147.07672	1.0
148.03880	2.7
152.05763	0.7
154.03452	0.8
154.07106	0.7
154.93338	2.3
155.01924	1.6
157.01622	0.7
157.03613	0.8
157.10858	7.6
158.04993	0.5
158.09317	2.3
158.97426	0.8
158.99672	2.5
159.03145	0.7
159.04688	0.5
159.07669	8.3
160.06535	0.8
160.08183	1.3
161.01277	0.7
161.02963	1.9
161.04405	0.6
162.09761	1.0
164.07089	0.8
164.98608	0.8
165.00781	0.9
165.07513	1.2
166.05020	6.2
166.08688	1.0
167.01898	0.8
167.08568	1.0
168.08781	0.9
168.39653	0.6
169.03415	0.6
169.13388	1.4
170.99673	1.4
171.01416	1.2
171.11282	1.3
172.08267	3.8
172.94336	4.9
172.97665	0.6
172.99342	1.0
173.03014	2.1
173.06671	1.3
174.09807	0.6
174.97665	0.6
174.99161	0.7
175.00917	1.6
175.04640	0.7
175.11932	5.6
177.00862	2.3
177.02377	0.6
182.08224	1.1
182.16556	2.0
182.92851	0.5
182.99706	0.6
183.05049	0.6
183.07584	1.9
183.08777	2.6
183.14944	5.6
184.09703	0.9
185.01367	0.7
185.03023	1.6
185.09288	1.2
186.09792	10.0
186.50201	0.6
187.00943	1.1
187.02718	0.6
187.04478	0.6
187.10822	2.1
188.05989	0.6
188.91631	1.8
189.00771	2.0
189.02441	1.0
189.12402	1.1
190.09348	0.7
190.95355	4.1
190.98799	0.6
191.00371	0.7
191.02313	0.8
191.04031	1.3
196.08269	1.1
196.94339	0.6
197.10297	0.9
201.00841	3.8
201.02490	1.0
203.02440	0.9
203.04082	1.0
204.10866	2.6
205.00162	1.0
205.01912	1.2
206.07047	1.6
206.92673	2.0
207.92795	0.7
208.14491	0.9
208.94209	0.8
208.96191	1.9
210.15968	2.8
211.15582	2.2
214.09256	14.8
214.95409	3.6
215.00414	1.2
215.02361	0.9
215.11400	1.1
216.98387	0.8
217.05472	0.6
219.01811	5.8
219.08141	1.0
220.02193	0.6
223.01004	1.2
224.08054	0.9
225.02579	1.0
225.17123	13.2
226.02420	0.6
230.07104	0.6
230.11435	3.9
230.92638	0.6
231.01942	1.0
232.10335	28.4
232.13716	2.5
232.96422	10.4
233.10596	0.9
234.99226	0.9
235.02948	0.8
236.10826	0.9
237.02687	2.6
238.12408	0.7
240.10355	0.9
240.14363	0.7
241.02002	1.8
242.03784	0.8
242.19824	2.2
242.99774	1.2
243.01836	5.1
245.05128	1.1
248.08109	1.0
248.93713	1.8
248.96039	0.9
248.99260	1.2
249.93929	1.2
249.99579	1.1
250.97484	3.3
253.13422	0.8
253.16624	1.0
255.01895	3.5
255.06178	0.9
255.11601	0.7
256.17621	1.0
257.16885	1.2
261.03070	2.7
264.01447	0.7
264.06854	1.6
270.19354	1.7
270.99640	0.6
273.03076	2.0
274.18759	1.0
275.18066	1.2
278.03720	0.7
281.01971	0.8
282.11337	2.0
285.04581	0.7
285.16541	4.5
286.17700	0.7
293.58765	0.7
295.05087	0.7
299.13803	1.3
303.04391	0.7
303.17682	18.9
321.18707	0.7
328.03610	2.0
328.11813	1.5
328.19766	8.9
340.01178	1.3
344.97968	0.8
345.01688	0.7
345.11102	6.5
345.22464	84.3
346.04761	9.5
346.14893	0.9
346.22787	1.9
363.02252	4.1
363.05853	0.7
364.05713	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	345.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	28.0
57.03424	9.2
57.07084	85.3
65.41100	5.7
67.05507	38.8
69.03402	7.0
69.07063	26.3
70.84469	9.7
70.84804	9.0
71.04991	12.1
71.08633	60.0
79.05489	17.1
79.16518	6.5
81.07058	66.1
83.08621	26.4
85.10178	36.3
87.63904	5.5
91.05501	16.0
93.07053	49.5
95.04945	10.2
95.08624	100.0
97.06525	8.9
97.10186	23.8
99.04447	23.6
105.07048	29.9
106.46686	6.2
107.08577	43.2
109.06505	6.8
109.10168	54.6
111.11711	10.3
119.08598	31.1
121.10136	53.4
123.11734	33.2
125.09576	6.8
131.08592	13.9
133.10085	30.2
135.08069	9.0
135.11682	34.6
137.09705	7.9
137.13286	8.1
141.09100	8.6
145.10135	17.0
147.11732	26.0
149.13208	14.1
154.97292	6.3
155.10699	12.9
159.11703	14.6
161.13283	20.2
163.14865	10.5
169.10168	5.7
173.13242	9.3
175.14845	15.1
217.19583	36.0
253.25304	10.2
327.29095	37.5
345.28247	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32452	3.3
55.05507	16.1
57.07062	12.0
59.63083	3.5
67.05508	27.2
69.07073	23.8
70.06596	8.0
71.04663	4.2
71.04993	26.5
71.51385	5.2
71.93440	4.0
72.73184	4.1
79.05487	27.1
81.07059	53.8
83.04986	5.5
83.08627	18.0
88.07632	9.8
91.05473	31.7
93.07050	84.1
95.04969	7.6
95.08616	72.3
97.06535	15.0
97.10186	6.5
99.04457	62.4
105.07050	53.7
106.57411	3.8
107.08597	100.0
109.06508	7.1
109.10167	41.9
119.08588	53.9
121.10153	58.5
123.08060	8.6
123.11697	18.6
125.09609	7.6
131.08586	10.8
133.10147	38.6
135.11696	64.0
137.13191	5.4
141.09111	15.9
143.08485	6.1
145.10133	18.0
147.11696	29.0
149.09651	6.0
149.13286	29.9
151.11168	9.6
155.10664	13.3
157.10130	9.4
159.11740	21.4
161.13274	40.3
163.14848	12.6
171.11682	4.8
173.13316	8.2
175.14859	15.1
177.16382	5.5
185.13292	7.0
187.14857	8.1
189.16507	5.2
201.16348	21.3
203.18040	4.8
213.16331	4.9
215.17918	9.3
217.19530	70.0
227.18033	5.2
243.13795	4.1
269.22675	10.6
309.25793	10.4
327.26892	20.0
327.30301	4.1
345.20523	4.5
345.24478	5.3
345.27979	35.9
345.35599	17.9
346.33298	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	345.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	35.4
57.07060	11.5
67.05496	20.9
69.03415	22.1
69.07071	41.0
69.34531	50.7
71.05003	30.7
71.08640	7.2
74.06071	5.5
79.05492	30.1
81.07064	100.0
83.08632	12.7
85.06559	13.1
86.38070	5.7
88.07633	26.8
88.13258	5.4
91.05462	22.5
93.07053	69.8
95.04981	8.2
95.08610	81.1
97.06531	15.5
97.10159	11.9
98.21471	9.9
99.04474	63.3
99.08098	12.3
105.07047	67.3
107.08597	92.7
109.06461	7.0
109.10174	48.8
111.08093	11.5
116.68340	6.4
119.08595	73.0
121.10155	83.6
123.08009	10.6
123.11691	23.0
125.09625	57.3
131.08563	20.9
133.10146	47.7
135.11687	63.2
137.13225	6.8
139.11108	7.2
141.09111	21.3
145.10115	29.1
147.11699	37.4
149.13287	32.2
151.11174	9.3
155.10655	11.7
157.10117	14.5
159.11734	36.8
161.13258	70.4
163.14821	21.8
169.10158	6.4
171.11688	9.5
173.13251	19.8
175.14824	17.1
177.16393	13.8
183.13766	10.4
185.13303	5.9
187.14844	13.9
189.16368	13.6
197.13225	7.9
199.14754	6.7
201.16426	31.6
203.17967	10.9
211.58469	6.3
213.16425	6.9
215.17963	12.8
217.19530	90.1
267.20868	6.6
269.22543	7.2
299.31464	9.5
303.22849	7.5
309.25745	10.2
327.26956	31.0
345.24280	8.6
345.28406	37.1
345.31927	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	345.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14444	3.0
53.03954	4.3
53.80303	3.0
54.57941	3.4
55.05510	11.2
57.14747	3.1
61.67936	3.1
67.05509	46.2
69.03417	3.6
69.07074	17.6
69.16353	3.0
71.04998	4.7
79.05508	23.9
81.03395	3.5
81.06600	4.1
81.07063	59.0
83.04994	5.0
83.08649	5.7
91.05467	16.8
93.07050	56.7
95.04996	7.3
95.08624	38.8
97.06527	4.3
105.07035	23.5
107.08609	29.5
109.06503	6.9
109.10162	100.0
111.08080	4.3
117.07012	8.0
119.08588	37.2
121.10152	46.3
123.08079	6.8
123.11735	6.2
125.09651	5.2
131.08585	9.9
133.10136	22.2
135.11707	27.0
137.09618	40.7
139.11157	7.0
145.10144	10.7
147.11688	18.0
149.13248	9.2
151.11220	11.9
153.40054	3.2
157.10088	3.5
159.11725	5.4
161.13367	6.5
163.14806	4.3
165.12776	9.1
173.13260	7.5
173.84999	3.7
175.14828	42.9
185.13284	3.5
189.16469	3.7
193.15939	7.8
199.14883	5.5
201.16382	9.4
202.68546	3.1
219.17558	19.8
245.18916	3.9
309.25604	4.2
327.26877	9.2
345.27914	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	345.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	26.2
57.07080	11.6
67.05517	35.3
69.03428	8.0
69.07074	45.9
70.06598	11.7
71.04995	17.9
71.08615	4.1
71.51466	3.5
75.72220	3.9
79.05511	23.6
81.07055	72.6
83.08607	10.1
88.07636	36.4
89.07967	6.3
91.05486	29.9
93.07052	74.7
95.05035	5.1
95.08614	69.7
97.06541	14.6
97.10180	13.7
99.04460	40.5
99.08093	11.1
105.07047	70.0
106.08659	8.6
107.08598	76.5
109.06529	8.1
109.10169	51.5
111.08083	5.0
117.07025	10.1
119.08581	58.8
121.10150	60.0
123.08072	9.7
123.11745	28.5
125.09641	24.9
125.80322	3.7
129.06989	3.9
131.08574	19.7
133.10129	58.3
135.08061	4.9
135.11716	48.3
137.09627	4.4
141.09149	14.6
142.07741	4.6
143.08612	11.0
145.10132	24.4
147.11728	41.2
149.13287	25.0
151.11189	8.7
155.10696	12.9
157.10165	11.6
158.98911	4.2
159.04308	4.1
159.11694	30.8
161.09610	5.0
161.13254	61.7
161.67357	3.8
163.14841	11.6
165.12830	4.0
171.11690	11.5
173.13255	26.8
175.14835	23.0
177.16422	6.0
187.14862	13.1
189.16339	9.1
189.99680	4.6
191.14400	6.0
191.18016	8.1
193.68393	4.3
199.14822	7.8
201.16402	17.5
203.14294	4.5
203.17986	6.8
213.16469	8.9
215.17998	9.7
217.19542	100.0
227.17975	5.5
231.17554	5.1
245.19023	5.4
253.19562	7.5
269.22757	13.4
275.69821	4.5
284.26486	8.9
309.25784	12.6
327.23196	4.9
327.26822	38.5
345.24203	7.5
345.27930	82.2
345.32022	18.5
345.35458	5.9
346.32928	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	345.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03506	6.0
55.05512	24.9
55.52488	7.4
57.07069	6.3
66.59289	6.4
67.05524	38.7
69.03439	32.2
69.07075	26.9
71.52161	12.2
71.52518	7.2
71.62249	6.6
79.05481	31.3
81.07066	94.4
83.08614	11.6
85.06531	7.4
91.05485	22.3
93.07053	78.0
95.08617	100.0
97.06544	15.3
97.10174	16.2
105.07050	54.1
107.08605	82.7
108.27158	7.7
109.06517	9.1
109.10165	63.6
111.08092	14.9
111.94111	6.9
113.09659	16.3
117.07018	9.7
118.63696	6.6
119.08590	54.8
121.10154	74.5
123.08125	13.2
123.11735	23.2
125.09653	37.9
125.84010	6.7
131.08588	24.9
133.10146	49.0
135.08072	11.2
135.11710	41.6
139.11220	9.3
145.10133	32.5
147.11717	34.8
149.13275	18.0
151.11197	18.9
157.10173	11.0
159.11719	37.5
161.13298	34.6
163.14830	25.3
165.12878	8.7
173.13255	22.6
175.14891	13.2
185.13281	7.5
187.14903	18.8
189.16444	27.2
201.16394	19.2
215.18082	9.4
243.21126	10.4
288.32224	7.2
309.25684	7.1
327.26843	38.0
345.27902	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1975
Annotation	Leu-Val-Asp
Peak:m/z	Relative Intensity
56.05030	2.8
58.06604	0.6
69.07075	6.3
70.06583	1.7
70.56437	0.9
70.56763	0.5
72.08144	1.1
73.12117	0.5
74.06084	11.3
80.39796	0.5
83.17899	0.4
84.08148	0.8
86.09710	100.0
87.10031	0.7
89.84509	0.5
99.05575	0.5
107.04965	1.5
107.69250	0.4
116.07112	2.3
126.05532	4.1
129.10287	0.5
141.10269	0.4
144.06563	1.3
187.12791	0.8
195.11302	0.7
199.18085	1.6
203.13936	9.2
211.14473	0.8
227.17488	0.7
239.13904	5.4
284.16095	0.6
284.45502	0.5
299.51999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64529	1.3
53.03925	1.1
55.05513	6.4
55.86009	1.2
56.05030	2.4
69.03407	2.4
69.07059	3.6
70.02953	2.6
70.06586	5.6
71.50876	1.4
72.04510	3.3
72.08158	69.7
73.02908	3.3
74.06083	15.3
81.03428	3.1
81.07050	1.8
82.06586	6.9
84.08153	2.0
85.02917	1.8
85.04025	2.7
85.06508	1.5
86.09708	55.7
88.03990	12.4
90.05552	4.0
93.89340	1.1
95.04964	1.2
96.08125	3.4
97.02895	2.4
98.02419	9.6
98.06066	2.0
99.09219	2.1
100.03974	2.1
106.06592	1.3
107.04957	3.3
109.02853	6.5
113.00655	1.2
116.03481	2.9
116.07096	1.7
118.08704	1.8
120.08107	2.0
124.07607	8.7
126.05511	5.2
127.03912	3.0
127.08691	17.0
128.07079	3.9
129.10326	1.4
132.10216	19.2
137.05988	2.9
141.10222	5.0
142.08646	28.3
145.04921	1.6
152.07094	2.5
153.06636	4.6
156.10205	3.6
157.13380	3.3
169.09749	6.5
170.08017	2.6
183.11293	2.3
184.09682	5.1
187.10786	100.0
197.09222	6.3
198.07704	1.9
201.12338	25.1
202.10750	14.0
203.13947	9.5
211.09618	2.3
215.10240	20.2
216.08699	2.2
229.11819	4.4
231.16989	1.2
234.69601	1.2
262.13208	1.3
282.77197	1.2
284.16055	1.6
306.66785	1.3
328.13974	2.6
339.20898	1.5
346.15012	2.7
346.22855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1975
Annotation	Leu Val Asp
Peak:m/z	Relative Intensity
55.05523	4.7
58.11828	0.8
58.26585	0.6
60.04519	1.0
64.44519	0.5
69.03439	0.6
70.06590	2.7
70.30895	1.3
70.31290	1.1
72.08160	69.6
74.06074	1.2
84.04504	0.8
84.08149	1.6
85.02914	1.7
86.06030	0.5
86.09711	100.0
91.05495	2.6
91.74806	0.6
92.05820	0.7
100.07650	0.8
102.05513	0.6
102.09184	0.7
107.04994	1.2
119.04939	1.6
120.08092	0.7
123.59810	0.6
124.07575	0.7
127.03944	0.7
129.10263	1.0
131.08229	0.8
134.04526	1.1
136.07582	6.1
137.05899	0.6
137.07965	4.5
156.98061	0.6
158.97417	0.8
165.90021	0.7
165.91573	0.5
166.08636	0.6
184.09662	1.0
185.16502	58.7
186.16844	0.7
192.07985	0.6
202.10901	0.9
213.15999	23.3
233.11369	6.2
234.99052	1.5
287.16367	0.6
290.98141	0.6
305.20901	0.6
337.66586	0.6
346.14722	0.9
346.22775	1.8
357.93045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2342
Annotation	Leu Ile Thr
Peak:m/z	Relative Intensity
53.25497	0.3
55.05518	0.5
56.05042	1.9
57.03428	0.4
57.05805	0.3
58.06589	0.5
60.04529	0.3
61.01158	0.5
61.02916	0.3
67.05509	0.5
67.67934	0.3
68.05053	0.3
68.38122	0.3
69.03424	0.4
69.07076	5.6
69.90129	1.1
70.06606	8.7
71.06926	0.7
72.04542	0.5
72.08161	2.4
73.08486	0.3
74.06071	1.8
82.06587	0.4
84.04520	0.9
84.08154	5.2
85.02917	1.1
86.09713	100.0
87.10056	1.0
88.04042	0.4
91.05457	0.4
93.07066	0.4
95.04961	0.4
95.06104	0.4
96.08115	0.4
97.02898	0.7
98.97629	0.6
102.05560	1.1
104.05339	0.7
107.04966	1.1
108.87089	0.3
109.02934	0.4
110.07176	1.5
110.09675	0.6
112.08772	0.6
113.07146	1.2
116.07103	2.7
120.06615	2.0
120.08125	1.1
123.02199	0.4
124.07587	0.3
126.05476	0.3
129.10233	2.7
130.05000	0.7
130.08690	0.4
136.07643	0.4
137.06036	0.9
138.06358	0.8
138.09163	0.6
147.04514	0.3
147.11343	0.5
156.07875	0.3
166.08691	1.9
170.08234	0.4
184.09714	0.6
199.18079	26.6
200.18472	0.4
202.10780	0.9
203.12163	0.4
215.13914	4.0
227.17570	9.5
232.42790	0.3
233.14998	3.6
243.13492	0.5
255.06563	0.5
272.10519	0.5
292.25879	0.3
328.22308	2.5
346.22757	0.8
347.13171	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	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01975	1.7
52.09553	1.9
53.43264	1.8
53.94859	1.7
55.05500	6.0
61.64732	1.8
65.03957	1.9
67.05509	22.3
69.03425	2.3
69.07072	5.2
70.06599	2.1
71.04998	3.8
71.51408	2.9
76.46392	1.8
79.05495	6.0
81.03419	8.1
81.07049	11.7
83.01337	2.2
83.08613	4.6
84.08157	2.5
90.02908	2.1
91.05488	100.0
93.07050	8.4
95.08616	7.8
97.06529	2.1
97.10175	2.5
98.97571	3.1
99.04465	2.2
105.07018	7.3
107.04960	4.7
107.08606	5.2
108.05294	1.9
109.02885	6.4
109.06520	2.2
109.10203	13.4
115.05453	6.0
119.08602	4.1
121.10122	2.8
125.09633	3.9
127.03885	6.8
133.06526	2.3
133.10083	4.0
137.06000	8.3
138.06335	4.7
144.10652	2.2
145.04948	12.8
145.10199	2.6
155.10744	6.2
159.11682	4.2
161.06001	39.9
173.11760	22.1
177.79578	1.9
195.13794	2.9
211.07309	2.5
213.14944	2.6
226.46626	2.3
275.20148	10.5
314.11142	8.1
346.13489	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	346.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09016	0.3
52.55579	0.3
53.03942	0.4
54.40066	0.3
55.05500	0.5
56.05027	0.8
57.07080	7.1
58.06590	0.6
60.04496	0.4
61.03950	0.3
68.05012	0.5
69.40464	2.5
70.06594	16.0
71.08636	3.6
74.06075	0.4
79.05488	0.4
81.03401	1.3
81.07056	0.7
84.04502	0.5
84.08134	1.2
85.10166	1.3
86.06075	0.6
86.09694	0.7
88.07634	16.4
91.05489	4.0
100.07549	0.3
102.09180	0.9
105.06990	0.4
106.08667	2.6
107.04922	0.7
109.02872	1.1
114.09164	5.8
118.08637	1.0
121.10165	0.4
127.03922	0.6
130.08650	0.7
132.10210	21.3
150.11263	15.9
161.05978	1.2
162.14175	0.3
193.90811	0.3
221.15196	0.3
270.27939	0.9
284.29581	1.3
302.30515	5.4
346.33170	100.0
347.33585	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03957	2.1
55.01878	0.7
55.05516	0.4
57.03440	0.4
60.87587	0.3
65.03942	1.6
67.05539	0.5
68.99809	0.5
69.03433	2.4
69.07092	0.3
71.04995	0.8
71.51162	0.6
79.05515	0.9
81.03426	17.6
81.07053	0.4
83.01350	1.1
85.02914	0.7
91.05492	100.0
92.05836	0.8
93.07059	0.7
95.04955	0.5
95.08602	0.4
97.02903	1.8
99.04468	1.9
105.03391	1.2
105.07042	3.0
107.04910	0.5
107.08607	0.3
109.02142	0.6
109.02893	11.2
115.04027	0.3
115.05470	5.0
117.06969	0.5
119.08597	0.7
127.03931	8.9
131.08562	0.4
133.06506	3.8
143.04974	0.8
144.97694	0.3
145.04973	13.8
145.10262	0.3
161.05998	36.8
162.06392	0.4
169.04944	1.2
171.11699	0.3
179.07079	1.0
187.06029	1.1
195.02899	0.5
199.07433	0.3
229.07175	0.4
239.30084	0.2
287.09268	0.6
289.12585	0.2
305.10263	0.7
347.11484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01868	0.7
65.03939	1.1
68.37362	0.3
68.99802	0.6
69.03441	3.1
70.05577	1.3
71.04982	0.6
74.33407	0.3
79.05488	0.4
81.03422	20.2
81.07036	0.4
83.01357	1.1
85.02920	0.5
91.05486	100.0
92.05794	0.7
97.02912	2.4
99.04458	2.8
105.03406	1.3
105.07054	1.9
109.02892	13.5
115.05460	4.3
117.07056	0.7
127.02982	0.6
127.03924	11.1
133.06502	3.3
145.04959	12.2
155.34862	0.3
161.05988	36.3
169.04968	1.4
179.07117	0.7
179.08673	0.3
187.06090	1.0
195.02872	0.3
287.09155	0.7
305.10168	0.8
309.28366	0.3
343.44562	0.3
347.11423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
55.01871	1.0
61.09615	0.3
65.03942	1.6
65.05889	0.3
68.99786	0.7
69.03435	2.0
69.07060	0.3
71.04995	0.6
81.03424	18.7
82.51151	0.3
83.01340	1.1
85.02908	0.5
91.05487	100.0
92.05823	0.7
95.04971	0.3
95.08629	0.4
97.02885	1.4
98.21134	1.6
99.04450	2.5
105.03422	1.9
105.07047	2.3
109.02885	10.7
115.03916	0.3
115.05464	5.3
117.07028	0.4
118.99774	0.3
127.03931	8.1
127.04829	0.6
133.06494	3.6
141.05446	0.3
143.04951	1.0
145.04968	13.7
145.71649	0.3
161.05991	37.1
162.06258	0.5
169.04996	1.0
179.07138	0.5
187.06068	0.9
195.02858	0.4
228.88745	0.3
262.70773	0.4
287.09271	0.8
305.10294	1.1
347.12344	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01871	1.1
55.09476	0.3
56.58516	0.4
62.63161	0.3
65.03953	1.5
67.05508	0.7
68.99792	1.0
69.03430	2.2
71.04991	1.0
71.50527	0.4
79.05483	0.6
81.03426	6.1
81.07071	0.8
83.01345	1.1
91.05489	100.0
92.05820	0.7
93.07077	0.4
95.04977	0.3
95.08604	0.4
97.02888	1.6
99.04464	2.0
105.03413	1.5
105.07063	2.8
107.04950	0.9
107.08580	0.4
109.02888	5.1
109.10170	0.8
115.04038	0.4
115.05471	5.0
117.07040	0.7
119.08624	0.4
119.42722	0.3
120.84921	0.3
127.03927	9.0
133.06511	3.7
133.10168	0.5
137.06041	0.4
141.05515	0.6
143.04932	0.7
145.04970	14.6
145.10059	0.6
147.51173	0.3
157.10184	0.6
161.05994	39.1
169.05002	1.3
179.07062	0.9
187.06052	0.8
229.07024	0.4
253.08231	0.4
287.09195	1.2
305.10178	0.6
347.12421	0.7
347.22305	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
54.81175	1.0
55.01877	1.3
55.93519	4.4
56.05038	1.7
56.94313	3.2
56.96579	6.0
57.03439	2.1
60.04526	4.0
61.02913	2.2
62.62906	1.1
69.03431	9.1
69.07046	1.0
70.06592	5.9
71.05001	2.3
71.50829	1.1
72.08160	9.2
72.93777	7.6
73.02920	2.2
74.06089	3.8
81.03417	4.2
82.99859	3.0
83.06099	1.5
84.04507	6.9
84.08147	29.6
84.96048	1.6
85.02908	13.1
86.09710	16.6
87.04456	1.9
87.05582	2.3
90.94841	4.3
91.05473	1.4
92.23240	1.1
97.02901	8.4
98.06075	3.2
98.97597	12.3
99.04475	1.6
101.00895	19.0
101.07146	1.8
103.05485	1.2
104.96365	5.0
106.05030	1.4
107.04955	4.2
109.02908	1.2
110.97565	2.2
112.07587	6.1
113.00853	1.5
113.03551	1.9
116.98632	3.5
119.01926	23.4
119.02718	1.7
119.04948	1.9
122.97403	1.8
123.04444	1.3
127.03909	4.3
128.96378	1.6
128.98592	1.4
129.10254	21.3
130.05023	5.8
130.08658	5.0
131.01926	3.2
132.95845	4.0
133.06154	1.5
136.06213	11.6
137.02971	1.6
137.05972	5.4
138.05527	2.9
143.01909	100.0
144.02039	2.4
144.95828	1.7
145.03438	1.2
145.04990	1.9
145.09657	1.2
146.97473	1.2
147.04440	3.5
147.07625	6.9
147.11238	3.3
149.06097	1.2
152.96396	1.2
155.01895	3.5
157.09706	1.4
158.93762	8.6
158.97411	3.1
158.99657	2.4
159.07701	1.7
160.06429	1.2
160.95384	1.5
161.02971	91.2
162.03093	2.4
167.07088	1.2
168.06430	1.6
168.95863	1.4
173.02972	1.6
173.12857	7.3
176.05089	5.2
176.94833	3.8
177.00742	1.7
178.96364	1.2
179.07101	1.4
183.11414	1.2
184.04521	2.3
185.02930	1.2
185.06714	2.9
185.09212	5.2
186.04422	1.7
187.14449	5.2
198.97031	1.3
199.04439	1.6
200.02048	1.6
201.12337	1.4
203.02071	2.4
203.04021	47.4
209.06581	1.2
209.96132	10.3
210.96864	1.9
215.13820	1.4
216.97983	1.7
217.05466	1.3
218.95892	1.7
219.01697	5.4
221.05060	1.9
227.07657	1.6
227.96994	1.1
234.99002	3.7
236.06279	1.5
236.96866	1.9
237.02896	4.1
240.05702	1.8
254.12575	2.0
266.12698	2.4
284.13522	5.6
286.94818	3.7
287.09732	13.1
305.10843	1.9
311.08804	1.9
330.17401	1.2
347.04324	5.0
347.13123	6.6
347.23352	6.4
348.06927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84987	0.5
57.65682	0.6
58.89861	0.6
69.03434	0.7
70.98869	1.1
72.08163	1.3
84.08146	1.1
84.80226	0.4
85.02910	0.8
86.09716	1.3
96.64702	0.5
97.02882	0.7
99.04491	0.6
104.68483	0.6
108.04484	1.1
121.02927	0.7
129.10278	0.8
137.06052	0.5
167.06911	0.6
185.04327	11.6
185.07863	100.0
186.08167	1.1
189.12447	1.1
190.91609	0.5
221.05096	0.7
275.09851	0.8
347.13110	11.1
347.16821	4.5
363.30920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1315
Annotation	Nordercitin
Peak:m/z	Relative Intensity
50.50534	0.4
53.46206	0.5
55.05513	0.6
55.27480	0.5
67.73687	0.4
69.07037	0.6
69.62904	0.4
69.97930	1.1
69.98342	1.5
70.06593	2.9
72.08154	1.4
74.06076	0.6
79.43056	0.5
84.04515	0.7
84.08163	3.2
84.96651	0.4
85.02888	0.7
86.09718	4.3
87.10039	1.6
91.05476	0.7
97.02914	0.8
99.57406	0.4
109.71299	0.4
110.07178	0.7
111.04407	0.6
119.04975	0.6
119.46698	0.4
120.08108	0.8
121.06544	0.5
121.68458	0.6
129.10243	1.9
136.06184	0.9
137.06024	1.3
149.06065	0.9
151.07585	0.7
153.06987	0.6
169.06427	0.5
178.97441	0.4
181.06514	1.0
185.07951	0.8
211.68362	0.5
241.08597	1.0
258.08942	1.6
272.10480	1.9
273.11313	1.2
287.10968	1.9
347.13150	100.0
348.13574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
53.31863	1.4
55.05503	6.8
56.05040	15.1
56.96579	11.6
57.03437	5.5
58.06588	4.6
60.04525	13.7
61.02911	4.2
64.51792	1.3
65.80009	1.5
67.83059	1.4
68.05042	1.5
69.03433	12.5
69.07065	3.2
69.70005	7.7
69.82512	1.5
70.02974	2.2
70.06583	8.6
71.04991	2.5
72.08157	65.4
72.93787	2.2
73.02952	3.2
73.08476	4.2
74.02441	3.1
74.06082	30.9
81.03412	4.7
82.99885	1.6
83.06113	7.9
84.04507	37.4
84.08146	39.2
84.96032	3.8
85.02907	23.2
86.06063	3.5
86.09708	96.5
87.04448	1.6
87.05603	12.8
87.10038	2.2
88.04014	3.8
91.05498	2.8
97.02895	12.2
98.09696	2.8
98.21401	3.1
98.97586	32.0
98.98255	2.5
98.98470	1.9
100.07655	1.6
101.00877	12.9
101.07146	32.8
101.10787	1.8
102.05531	2.9
106.05044	4.6
107.04956	7.9
109.02879	2.9
110.97571	8.4
112.99120	2.9
116.03516	1.8
116.07072	1.7
116.09052	1.5
116.98623	6.9
118.08681	1.8
119.01889	13.3
119.04928	3.6
120.06619	2.0
124.11235	2.1
126.09148	2.4
127.00715	1.7
127.03916	9.5
128.10707	2.7
128.98593	4.4
129.06639	4.4
129.09348	2.8
129.10243	28.5
130.05011	33.7
131.00139	1.7
131.01929	3.3
131.08153	3.6
132.10121	2.1
132.95879	3.7
133.06087	34.1
136.06189	45.2
137.05974	8.1
140.98538	1.7
142.12270	9.6
143.00174	4.9
143.01901	61.3
143.11826	8.4
145.03450	2.6
145.04990	3.9
147.04401	6.8
147.07652	46.7
147.11267	3.1
155.01949	2.4
157.03529	2.6
158.97432	2.5
158.99699	4.5
159.07710	3.0
161.02968	39.5
168.03622	3.7
169.13449	2.2
170.99669	2.9
171.14949	2.2
172.15276	2.8
173.03004	1.5
173.12874	23.2
176.05235	2.3
177.00656	2.3
177.04105	2.0
183.11340	2.5
185.01324	1.5
185.02908	2.4
185.09138	3.2
187.14430	100.0
188.14705	2.2
189.00644	1.7
189.12421	2.3
191.02245	2.2
196.14507	4.9
197.12840	3.8
199.04446	2.4
201.00726	2.2
201.12340	6.4
203.04013	21.6
208.04997	3.5
209.96048	3.5
215.13924	26.8
217.05392	2.4
219.01765	11.2
219.13412	2.4
221.05011	2.8
227.04044	3.0
228.13344	3.2
230.11470	1.8
234.98892	4.3
235.02786	2.5
237.02814	7.9
240.05650	4.9
241.06358	2.2
242.06297	2.3
245.05138	3.2
246.14378	3.4
253.03934	1.7
257.06796	9.8
265.06393	3.5
280.07095	5.2
287.09680	8.2
317.05444	1.8
323.08838	3.4
329.08194	2.1
329.18201	4.3
335.06445	3.7
338.09351	3.4
347.03976	3.5
347.09531	4.8
347.13571	7.9
347.22977	11.0
348.07153	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	347.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.6
55.05516	24.6
57.07066	13.8
59.04968	4.3
67.05518	22.9
69.07078	100.0
71.04990	8.4
71.52209	4.3
73.83523	3.0
79.05503	26.8
81.07069	79.9
83.04975	6.0
83.08624	8.0
84.60510	3.2
89.06016	3.7
91.05476	12.2
93.06483	5.2
93.07053	74.0
95.08057	6.0
95.08620	76.1
97.06529	9.4
97.10153	5.0
99.04464	10.1
99.08086	5.1
101.48573	3.1
105.07044	20.0
107.08595	38.9
109.10172	40.0
111.08073	5.4
111.11731	85.3
112.12034	4.3
113.09699	3.4
117.07021	5.3
119.08599	42.5
121.10150	66.8
123.11732	18.6
125.09602	5.9
129.07024	3.5
131.08586	8.6
133.10165	25.4
135.11688	30.9
137.13245	9.4
139.11211	19.1
141.09131	5.6
145.10136	11.9
147.11739	19.3
149.13258	17.4
151.11166	4.3
153.12726	4.0
157.10091	4.3
159.11700	16.9
161.13251	11.2
163.14812	10.1
165.12740	3.6
167.14281	4.6
173.13287	10.4
175.14848	57.9
177.16405	10.1
187.14842	11.2
189.16377	8.5
193.15781	4.5
203.17984	8.0
211.35503	4.1
221.18996	13.2
227.71480	4.6
251.01271	3.7
271.24268	8.4
311.27344	14.1
329.28305	12.1
347.25751	5.1
347.29489	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	347.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
55.05511	33.2
57.02284	3.5
57.03426	3.2
57.07071	12.3
67.05505	39.0
69.07075	30.6
70.69680	9.9
71.04987	11.0
71.08626	5.8
79.05483	21.8
81.06590	5.3
81.07063	94.2
83.04966	3.2
83.08628	41.2
85.10197	5.9
89.06029	4.1
91.05474	13.1
93.07050	49.7
95.04982	4.4
95.08612	100.0
97.10181	46.5
105.07005	23.9
107.08603	49.7
109.06512	13.0
109.10162	74.3
111.08047	3.2
111.11738	4.7
113.09652	4.5
119.08586	20.1
121.10139	48.5
123.08055	3.7
123.11713	59.4
125.09612	9.4
128.17580	3.0
131.08595	4.9
133.10135	34.9
135.11696	10.3
137.13242	6.7
139.11192	5.5
143.08504	3.4
145.10149	7.8
147.11647	11.5
149.09554	3.7
149.13274	9.4
151.11191	12.7
157.10150	3.8
159.11696	10.2
161.13245	9.0
163.14836	6.3
168.46999	2.9
173.13332	4.2
175.14819	4.5
177.16331	5.7
179.17938	18.2
184.74358	2.9
187.14836	4.3
189.16411	19.2
201.16484	4.3
203.18053	4.8
207.17459	16.7
214.66106	3.6
229.19569	5.7
263.20145	7.3
271.24200	5.4
311.27380	13.2
329.28387	34.4
341.14661	3.2
347.09515	4.1
347.23251	3.6
347.29498	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	347.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.0
55.05515	15.1
57.07077	7.9
66.02897	3.8
67.05504	34.3
68.43101	3.6
69.03435	4.7
69.07065	19.3
71.04995	25.9
71.08628	4.8
79.05510	30.2
81.03387	4.8
81.07057	89.2
83.08619	17.7
85.06566	4.7
91.05485	16.4
93.07050	56.5
95.08609	100.0
97.10185	6.8
99.04468	20.4
99.08092	11.6
105.07037	43.4
107.08592	76.0
109.06570	7.6
109.10167	61.7
111.04433	5.1
111.08135	5.2
117.07022	7.6
119.08572	46.0
121.10156	48.9
123.11707	32.3
125.09653	7.2
127.11189	17.2
131.08562	7.3
133.10152	36.4
135.11707	44.6
137.13280	13.6
141.09109	14.9
143.08536	5.4
145.10136	13.2
147.11681	36.8
149.13263	24.2
151.11292	5.2
153.12724	15.2
157.10126	5.6
159.11716	13.7
161.13268	33.4
163.14833	29.4
165.12724	5.9
173.13254	10.4
175.14819	14.4
187.14842	10.2
189.16408	16.7
201.16403	9.6
203.18013	14.2
215.17915	4.4
219.21077	6.2
243.21126	9.7
263.38333	4.3
308.40430	4.6
311.27469	13.3
329.28418	26.7
347.29449	16.7
347.33118	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	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.9
53.88924	3.6
55.05502	7.4
57.03429	5.4
58.27592	3.2
65.03941	3.7
67.05504	30.4
69.03424	5.4
69.07049	8.4
70.70341	7.0
71.04972	4.8
79.05476	9.7
79.17083	3.2
80.62533	3.1
81.02988	5.4
81.03420	54.6
81.07051	21.4
82.03757	17.5
83.04993	3.5
83.08611	8.3
87.92544	3.5
89.91599	3.1
91.05488	100.0
91.25919	3.5
92.05814	61.5
93.07008	12.3
95.04980	5.1
95.08588	11.3
95.42236	3.6
97.10161	7.3
99.08070	4.1
105.07011	13.5
107.04939	11.4
107.08586	12.5
109.02906	35.3
109.10159	25.0
110.03194	17.6
113.49757	3.9
116.05725	3.6
119.08544	8.7
121.10105	4.4
127.03886	21.0
128.04254	8.2
131.08591	4.8
133.10130	5.7
145.92053	3.7
147.11612	4.4
155.10645	15.4
161.05972	18.5
162.06355	24.0
173.11737	44.4
195.13773	6.7
277.21609	11.9
295.22565	8.9
348.11896	6.5
352.18481	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	349.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60305	0.9
56.96534	1.5
58.99854	1.3
61.02934	5.4
67.03705	3.0
68.98263	2.5
69.03432	1.8
69.20611	9.1
70.99823	2.7
73.02895	1.3
78.81058	1.0
81.03364	1.1
82.99834	13.8
84.08129	1.0
85.02905	5.7
86.99293	3.0
89.00882	1.4
91.03687	1.5
94.99796	2.4
96.84328	0.9
97.01358	1.3
97.02847	1.7
97.04757	1.0
97.43904	0.9
98.97549	2.7
101.00890	87.6
102.00952	1.3
105.00340	2.1
108.97734	1.9
113.00879	44.6
115.02432	8.0
119.01929	62.3
121.01602	1.0
125.00823	2.3
126.98801	4.4
127.02361	2.5
127.03875	2.0
127.05762	1.7
128.98550	1.0
129.03908	1.2
131.01913	68.7
132.01976	1.0
132.95850	1.0
133.03473	16.7
137.00795	1.2
137.02933	2.1
143.01910	30.3
144.99850	5.9
145.03477	10.0
147.01268	1.1
147.04947	1.3
149.02988	5.4
154.98186	1.6
155.01906	15.2
157.03403	3.6
159.01363	2.1
161.02968	21.2
168.99840	54.6
169.06802	7.8
169.99936	1.1
171.01352	2.2
172.97832	1.1
172.99278	5.3
173.02966	22.5
175.02643	0.9
175.04453	1.5
177.02393	2.5
180.98567	1.1
180.99843	12.0
185.03000	6.8
187.00896	38.5
187.04358	1.5
187.07887	7.0
188.01093	1.3
189.02386	2.0
191.04066	5.8
193.80849	1.1
196.99326	33.6
198.99188	1.3
199.00903	19.4
201.02457	7.5
203.03983	5.5
205.01747	1.7
205.08916	1.3
213.02455	7.0
215.00386	98.4
216.00403	3.3
217.01826	3.0
218.53450	1.4
219.03580	7.8
221.05191	4.4
227.00414	5.9
228.03882	2.8
229.01944	54.6
230.02135	1.6
231.03520	11.5
233.01346	2.7
238.02017	1.9
239.06047	2.9
240.99799	1.2
241.01923	11.9
245.01370	4.4
245.04932	1.2
247.03018	100.0
248.03056	2.6
250.86707	1.0
257.01273	1.9
259.03024	18.6
261.04480	1.8
263.84003	1.0
270.04370	3.5
271.02933	1.7
272.97946	1.3
277.04077	4.5
277.38617	1.2
289.04062	17.0
307.05038	1.4
317.03534	7.7
331.09839	1.3
348.98969	2.0
349.06195	5.1
349.10834	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	349.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21894	1.1
52.95523	1.2
53.03947	2.4
55.01870	3.1
55.05514	3.5
56.05027	3.7
57.03436	8.4
58.99584	10.7
60.04510	1.9
69.07063	2.1
70.06588	3.4
71.43098	1.2
71.50986	1.2
72.08131	2.1
74.50689	1.2
76.02242	10.1
79.05495	11.2
81.07064	100.0
82.20370	1.0
84.04511	78.8
84.08137	2.2
85.01117	4.7
85.02924	2.0
86.00653	6.8
86.09712	5.4
86.99065	10.7
87.02157	2.4
87.02698	46.2
88.03958	1.3
97.06552	1.3
98.09726	1.8
99.08095	12.8
102.05505	1.8
105.00098	11.7
106.62536	1.2
113.04229	3.1
122.02739	56.1
129.10190	1.2
130.05011	13.8
132.01146	13.9
142.03220	5.4
151.11217	1.3
156.08435	4.6
157.06798	2.0
159.04765	15.4
173.12834	6.0
174.09497	2.2
185.04239	13.0
187.03661	3.9
188.03783	5.5
201.12468	1.5
202.08980	88.9
203.07376	26.8
210.11264	2.7
213.12500	1.4
220.10036	15.1
227.13484	1.2
234.04361	3.0
251.07079	2.7
265.94986	1.2
274.43546	1.6
286.11227	2.9
331.13071	4.3
332.11572	3.7
349.08936	21.0
349.14203	13.4
349.18286	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01864	1.9
55.05507	4.1
56.05043	6.3
57.03437	10.8
58.27212	1.1
58.99588	9.5
60.24112	1.2
67.05502	2.2
69.03419	3.8
69.07060	2.0
69.61861	8.1
70.06580	3.0
71.04989	5.1
72.08165	1.4
75.18428	1.2
76.02225	10.9
77.03919	1.3
79.05499	11.5
81.07062	100.0
83.22037	1.3
84.04511	68.8
84.08160	2.2
85.01137	3.7
85.02913	12.0
86.00673	7.3
86.99073	9.7
87.02699	49.5
88.04000	2.4
93.07068	1.7
95.08604	1.6
97.02891	2.8
97.06539	2.7
98.09676	2.8
99.08115	11.1
102.05562	3.5
103.71766	1.2
105.00103	15.3
107.08601	2.7
109.10157	3.9
113.04236	2.4
122.01850	2.9
122.02732	58.6
123.11707	5.0
127.03908	1.9
130.05005	11.6
131.01730	1.3
132.01187	14.7
139.11234	2.3
142.03244	3.3
142.52106	1.4
151.11153	7.4
156.08449	3.8
157.06812	2.6
157.12210	1.8
159.04778	17.5
169.12268	11.4
173.12866	1.5
174.09485	2.7
185.04196	1.6
187.13316	2.6
188.03766	4.3
202.08980	93.1
203.07385	27.0
203.09209	1.4
210.11325	2.4
220.10066	16.7
234.04359	3.4
251.06935	3.1
286.11093	3.8
296.14758	1.4
301.97122	1.2
313.44833	1.4
331.13123	5.7
332.11646	4.0
349.14227	9.8
349.18274	3.4
350.14084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
54.20544	0.8
55.01857	2.4
55.05521	4.2
57.03426	2.9
64.34045	0.8
65.03942	0.9
67.05508	12.1
69.03420	1.7
69.07070	4.0
69.94115	3.6
71.05000	1.0
74.91486	0.7
79.05490	10.0
81.03422	1.7
81.06593	1.3
81.07059	25.1
83.04977	1.3
83.08613	1.5
85.02862	0.8
85.06523	0.8
87.73985	1.0
91.05492	8.6
93.07047	8.3
95.04980	2.2
95.08617	9.0
97.06524	3.3
105.07019	8.8
107.04955	1.4
107.08605	5.4
109.06528	9.9
109.10185	4.2
114.70773	0.9
117.06981	3.3
119.08570	7.6
121.06495	1.1
121.10119	3.7
123.08048	2.4
123.11730	1.5
129.07047	1.0
131.08556	3.3
133.10121	5.6
135.08084	1.1
135.11678	2.5
137.09598	1.6
143.08527	1.5
145.10114	3.0
147.11690	3.5
149.09631	1.9
149.13300	1.9
157.10275	1.0
159.11723	2.6
161.13295	1.0
163.11185	1.8
171.11656	1.2
173.13293	1.2
179.14192	1.1
185.13242	1.0
207.11551	0.9
217.91800	0.8
219.17473	1.4
229.19643	0.8
247.20609	1.5
252.45174	0.9
257.19177	1.1
275.20020	8.2
349.19870	100.0
349.23322	4.2
350.20090	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80136	2.3
53.03947	19.4
55.01876	19.1
55.05512	29.2
57.03438	18.7
57.07071	2.8
61.02924	2.1
65.03935	6.9
67.05508	95.2
68.30313	2.0
69.03416	7.1
69.07072	53.4
71.05002	6.2
77.03922	2.8
79.05499	67.1
81.03423	30.4
81.07059	100.0
83.04981	12.2
83.08633	13.1
85.06545	4.8
85.28202	2.5
91.05485	86.3
93.06479	4.7
93.07048	68.3
95.01337	17.7
95.04964	26.4
95.08614	81.6
97.06549	18.1
97.10181	4.0
98.97496	2.2
105.04530	2.8
105.07037	92.7
107.04268	1.5
107.04955	40.2
107.08607	31.9
109.06536	17.2
109.10168	20.0
111.08116	4.6
115.05526	3.1
117.07024	28.5
119.08589	53.5
121.06524	8.3
121.10153	15.4
123.04448	5.8
123.08071	17.1
123.11739	3.8
125.09625	2.5
128.06194	2.5
129.07011	5.2
130.07716	2.3
131.08580	38.8
133.03513	2.5
133.06543	4.0
133.10135	53.7
135.08043	7.7
135.11693	18.2
137.09637	16.2
141.07007	3.9
143.08575	3.8
145.06517	6.8
145.10152	28.7
147.07985	2.2
147.11685	26.8
149.09636	11.2
149.13254	9.5
151.11191	6.2
157.10158	4.2
159.11684	19.8
161.13225	11.4
163.11177	8.5
163.14941	3.0
165.09105	2.4
169.10097	6.4
171.11871	2.9
173.13231	6.4
176.38263	2.1
177.12772	12.1
179.14323	28.4
180.34544	2.4
187.11200	8.2
187.14693	3.0
197.13429	4.0
211.04645	2.8
229.19537	3.9
239.17935	4.3
247.20631	2.7
257.19040	8.4
275.17285	4.3
275.20078	53.4
276.20404	3.0
300.46570	2.4
301.20288	3.8
341.59659	2.5
349.23752	30.1
349.27457	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	13.4
53.27448	1.6
55.01873	16.3
55.05519	24.0
57.03445	18.5
57.07081	2.3
57.74493	1.6
65.03932	5.2
67.05511	68.6
67.61234	1.4
69.03417	3.1
69.07075	57.1
69.72994	1.6
70.45184	3.6
71.04992	3.1
77.03940	2.5
79.05501	60.8
81.03426	27.9
81.07063	100.0
83.05002	13.2
83.08636	8.5
85.06537	2.8
91.05488	71.5
93.07051	57.0
95.01344	20.6
95.04983	21.6
95.08614	54.1
97.06544	27.5
97.10152	5.6
99.08069	2.3
103.05471	2.2
105.04529	2.0
105.07042	92.2
107.04968	38.9
107.07993	2.0
107.08614	25.6
109.06525	20.7
109.10174	12.8
111.04476	1.5
111.08051	3.7
113.09665	2.4
115.05443	3.3
117.07027	21.4
119.08591	45.0
121.06509	4.7
121.10149	14.2
123.04424	4.4
123.08093	12.6
123.11692	2.5
125.09631	3.8
128.06259	3.0
128.72964	1.8
129.07004	5.9
131.08585	32.2
133.06485	4.7
133.10144	51.7
135.08052	7.2
135.11694	15.2
137.09583	2.9
139.07463	2.6
141.06958	4.3
143.08562	4.2
145.06468	5.7
145.10152	23.6
147.07962	2.2
147.11699	21.0
149.09631	11.3
149.13289	11.7
149.90858	1.7
151.11157	5.1
154.07806	1.9
155.08562	4.2
157.10094	6.2
159.11705	21.9
161.13269	10.3
163.11183	6.6
169.10130	3.2
171.11711	4.1
173.13254	5.9
176.24313	1.5
177.12796	11.0
179.14299	22.6
183.11752	1.9
185.13327	2.4
187.11169	9.5
195.13834	2.4
196.84492	1.9
197.13190	2.5
201.12819	1.9
224.01817	1.7
229.19473	3.6
239.17958	3.9
247.20601	6.4
257.18997	6.6
275.20090	55.2
349.23782	32.3
349.27979	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31051	1.1
50.86803	1.2
53.03949	10.2
55.01878	13.6
55.05513	46.0
57.03189	1.9
57.03437	19.0
57.07076	2.4
65.03924	3.4
67.05506	67.1
69.03416	4.1
69.07067	29.6
70.55287	1.4
70.56330	4.8
71.04995	6.2
77.76963	1.3
79.05494	100.0
80.05826	1.6
81.03427	10.7
81.07058	71.0
83.04978	24.6
83.08632	11.6
85.06524	3.1
91.05483	60.1
93.07047	65.5
95.01324	4.3
95.04971	15.1
95.07985	1.9
95.08606	36.8
97.06522	9.0
97.10172	9.0
99.08041	1.8
103.05478	2.8
105.04530	3.2
105.07033	56.3
106.01607	1.4
107.04958	26.4
107.08602	53.0
109.06522	9.6
109.10165	23.7
111.08060	5.3
115.05420	2.2
117.07026	18.9
119.06097	1.4
119.08583	40.9
120.08123	3.7
121.06499	6.6
121.10138	21.9
123.08088	7.2
123.11704	4.8
125.09630	13.1
128.06195	1.4
129.06992	5.4
131.08571	26.5
133.06525	2.0
133.10132	31.6
133.19119	1.2
135.08078	7.5
135.11708	11.2
137.09576	6.0
141.06995	2.2
142.07724	1.2
143.08580	4.0
145.06476	2.2
145.10110	17.6
147.11687	19.5
149.09624	46.3
149.13258	4.4
151.11183	2.4
153.09087	2.6
153.12790	1.6
155.08423	2.3
155.10648	1.8
156.08449	2.5
157.10107	4.4
159.11714	16.6
161.13268	7.5
163.11168	4.3
163.14793	4.4
169.10054	2.2
169.12254	2.6
171.10271	2.0
171.11714	5.0
173.09592	1.6
173.11755	3.2
173.13251	8.4
175.11197	3.6
177.12735	4.8
179.14346	6.7
183.11748	3.6
187.11119	3.3
187.14804	1.3
189.11229	4.2
189.12743	1.4
191.14259	2.1
193.12193	1.6
197.13258	3.1
205.12306	2.2
209.15355	4.5
213.16295	1.5
213.86780	1.2
229.19507	5.2
233.15157	1.3
239.17996	3.9
247.20616	3.5
257.18915	9.3
275.20068	54.2
293.20993	1.8
349.14728	1.7
349.23694	37.5
349.27548	3.7
350.24026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	17.5
55.01873	22.3
55.05269	3.1
55.05515	34.7
57.03442	19.0
57.07058	3.1
65.03935	2.9
67.05509	78.0
67.37665	2.0
67.52689	2.1
69.03423	5.6
69.07073	59.8
70.69318	3.8
70.69654	4.1
71.05006	4.3
71.64024	2.3
75.99387	2.1
79.05499	77.7
81.03429	27.2
81.07066	100.0
83.04991	17.7
83.08622	16.0
85.06538	3.7
91.05490	72.1
93.07049	71.1
95.01331	20.0
95.04994	20.8
95.08614	53.9
97.02909	2.7
97.06535	32.8
97.10161	5.1
103.05466	4.9
105.04539	2.3
105.07037	95.4
107.04965	46.2
107.08600	43.8
109.06531	17.8
109.10158	19.1
111.04418	3.2
111.08064	6.6
112.07469	2.2
115.05428	2.5
117.07030	24.6
119.08589	49.3
121.06512	6.5
121.10165	18.4
123.04479	2.5
123.08057	15.2
123.11683	5.5
125.09632	6.4
127.03939	2.5
129.07001	5.4
131.08565	36.5
133.06508	4.3
133.10143	53.6
135.08064	8.6
135.11702	11.1
137.09630	6.4
141.07043	4.2
143.08571	7.7
145.06454	7.2
145.10155	20.2
147.08075	3.7
147.11691	21.7
149.09651	22.4
149.13292	11.5
151.11221	2.9
155.08623	2.3
157.10144	5.5
159.11682	21.5
161.09656	2.5
161.13271	9.4
163.11168	5.4
163.14888	3.0
165.09085	2.9
169.10170	5.4
170.88353	2.6
171.11755	7.0
173.11848	3.8
173.13275	10.6
177.12749	7.5
179.14307	25.6
183.11481	2.3
187.11214	7.9
187.14833	2.2
189.11229	3.0
197.13297	2.4
201.16551	2.8
205.12309	2.4
215.17899	2.8
223.13216	2.7
229.19472	5.4
239.17952	5.5
247.20477	3.0
257.19006	6.5
275.20099	56.7
291.19345	2.4
305.70380	2.3
310.72650	2.4
349.19775	46.7
349.23767	36.3
349.27371	6.2
349.33984	3.6
350.23639	4.2
361.53156	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01878	6.3
55.05513	16.6
56.13027	1.1
57.03437	19.6
57.07071	2.6
65.03937	3.0
67.00621	1.1
67.05506	34.2
69.03426	3.6
69.07069	21.0
69.72398	0.9
70.46136	2.7
70.46503	1.3
71.04984	3.9
79.05498	29.8
79.05955	1.0
80.20137	1.0
81.03403	1.7
81.07058	39.0
83.04975	8.2
83.08617	4.7
85.06518	1.2
91.05488	28.8
93.07047	35.4
93.07638	1.9
95.04968	9.6
95.08608	24.0
97.06535	5.5
97.10148	3.6
98.21005	2.0
103.05457	1.2
105.07037	35.2
107.04955	12.2
107.08595	23.5
109.06529	13.6
109.10150	9.3
111.08073	2.0
117.06998	8.1
119.08581	17.0
121.06509	14.6
121.10136	11.1
123.08054	7.0
123.11678	3.1
125.09590	2.2
129.07011	3.4
131.08569	23.2
133.06499	4.4
133.10138	20.8
135.08023	6.3
135.11690	6.4
137.09612	2.1
143.08556	2.6
145.06418	2.3
145.10135	18.3
147.08087	3.4
147.11700	15.9
149.09587	8.2
149.13248	4.0
151.11172	6.3
155.08473	1.7
157.10129	3.5
159.08052	2.7
159.11694	12.6
161.09671	5.1
161.13258	4.6
163.11134	6.8
169.10133	2.0
171.11731	3.5
173.09630	3.2
173.13280	7.0
175.11255	2.5
177.12738	2.5
183.11694	3.5
187.11192	3.3
189.12813	1.8
191.14293	3.3
197.13361	2.6
199.14801	1.1
201.12743	4.6
205.19594	1.5
207.13753	3.4
213.16432	1.6
215.14381	1.4
215.17917	1.3
219.13835	4.9
229.19572	3.0
231.17462	1.3
233.19104	1.3
239.17958	4.5
247.20647	5.9
257.19025	18.6
275.20068	100.0
276.20578	2.6
281.06076	1.0
293.21002	7.5
311.19968	1.0
349.10696	2.9
349.23740	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	349.2376
Annotation	ACTG toxin B
Peak:m/z	Relative Intensity
53.03938	6.9
55.05515	25.5
57.03446	23.1
57.07071	4.9
59.79191	3.7
61.02917	5.4
63.21826	4.1
67.05513	33.6
69.03428	14.2
69.07076	33.5
69.56371	27.3
71.01344	4.9
71.04999	77.3
71.08614	3.9
73.02917	20.6
75.04469	5.7
79.05501	33.1
81.03423	11.7
81.07068	79.5
83.04991	17.3
83.08636	9.5
83.93764	4.2
84.08214	4.6
85.02912	92.6
85.06564	7.6
85.26099	4.0
87.04478	11.9
91.05490	39.8
93.07054	67.7
94.34276	3.8
95.04975	13.6
95.08625	74.6
97.06535	13.5
99.04483	8.2
105.07037	94.5
106.70753	4.0
107.04982	9.2
107.08608	66.1
109.02871	3.9
109.06523	13.7
109.10161	47.8
111.04465	10.6
111.08108	6.5
113.05997	5.3
117.05455	4.4
117.07025	10.6
119.08596	73.1
121.06515	8.5
121.10149	38.0
123.08079	9.9
123.11715	16.2
125.05991	6.3
125.09625	5.0
128.06204	4.3
129.05476	23.1
129.07010	9.3
130.07784	4.8
131.08569	39.2
133.06511	7.8
133.10143	53.1
135.08054	11.1
135.11697	29.0
137.06013	8.6
137.09650	10.4
137.13243	8.0
139.07646	4.8
141.06891	5.3
143.08582	22.9
145.10144	72.5
145.11206	2.8
147.08063	9.4
147.11690	46.9
149.09630	6.6
149.13266	16.9
151.11182	8.1
155.08597	10.4
157.10172	26.5
159.08061	8.0
159.11703	51.7
161.09631	9.9
161.13226	20.7
163.11151	10.4
169.10124	11.1
171.11719	26.6
173.09683	4.6
173.13261	29.2
175.14844	21.8
179.10707	4.3
183.11749	10.1
185.13306	16.0
187.11230	6.7
187.14807	21.9
189.16408	33.4
195.11772	7.5
197.13287	8.3
199.14868	14.1
201.16374	68.6
203.17981	30.6
209.13376	7.3
211.14937	8.2
213.16382	20.0
215.17894	25.9
217.19540	10.8
225.16472	8.4
225.30685	4.8
227.17952	25.1
229.19704	5.9
231.17583	5.3
237.16412	7.0
239.18010	11.4
241.19434	5.8
243.17563	6.3
245.19016	14.9
257.19077	17.9
269.19016	8.2
275.20187	8.0
287.20090	9.0
295.20758	10.8
313.21735	22.1
331.22705	36.2
349.10641	6.7
349.23804	100.0
349.28336	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.3
55.01866	4.0
55.05505	14.7
57.03441	35.3
57.07066	2.3
65.03934	2.0
67.05506	37.6
69.03426	2.1
69.07070	9.1
71.04965	2.6
79.05495	33.1
81.03415	3.0
81.07056	31.5
83.04967	4.5
83.08602	5.2
85.06545	11.3
91.05486	52.2
92.05839	1.5
93.07050	35.3
95.04957	6.0
95.08612	20.0
97.06530	5.1
97.10211	1.6
99.04482	7.0
99.05031	1.3
103.05501	1.4
105.04538	1.3
105.07037	36.0
107.04958	8.8
107.08601	21.1
109.06538	8.7
109.10167	8.3
111.08050	3.7
112.19065	1.4
115.05419	2.1
117.07032	16.5
119.08584	25.8
120.08106	2.8
121.06501	2.9
121.10149	10.2
123.08083	4.3
123.11701	2.5
128.06215	1.8
129.06999	5.6
131.08574	21.0
133.10138	18.0
135.08072	5.1
135.11719	6.8
137.09608	3.3
141.06934	1.9
143.08556	4.7
144.09291	1.3
145.10132	13.4
147.08131	2.7
147.11700	8.3
149.09645	3.9
149.13257	1.9
153.12790	2.2
156.08403	3.2
157.10164	2.1
159.11694	10.7
161.13225	3.3
162.58264	1.5
169.10115	2.2
171.11781	1.5
173.06021	1.9
173.13277	5.6
175.11221	1.6
185.13229	4.7
187.14790	1.5
189.05504	3.0
197.13268	1.5
201.16389	5.7
203.14288	3.3
209.15372	1.6
219.17451	100.0
220.17833	1.5
239.17996	2.2
257.18991	4.6
275.20099	14.0
349.23798	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	349.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.05514	20.6
57.03442	8.5
57.07066	7.6
58.77469	3.8
58.89911	3.8
67.05508	45.7
68.50101	3.9
69.03439	5.2
69.07072	20.3
69.80244	8.2
69.80651	12.3
71.04999	5.2
79.05501	47.4
81.07064	55.4
83.04990	3.8
83.08614	12.9
91.05489	57.7
93.06492	5.1
93.07052	78.3
95.05001	34.2
95.08611	59.7
97.06536	13.9
103.05478	7.7
104.65546	3.3
105.07040	100.0
107.08594	59.7
109.06523	13.1
109.09484	5.8
109.10167	39.6
111.08051	6.6
115.05454	5.7
116.06251	4.0
117.07013	25.0
118.79980	3.9
119.08588	90.0
121.06542	7.2
121.09322	7.5
121.10149	89.5
123.08056	19.4
123.11700	17.3
128.06221	12.4
129.07021	18.5
130.07799	6.1
131.08580	53.3
133.10130	47.9
135.08043	13.3
135.11723	26.9
137.09645	5.2
140.44666	4.0
141.06984	8.0
142.07785	22.9
143.08574	32.8
144.09378	12.8
145.06557	3.9
145.10138	69.9
147.08083	7.9
147.11722	19.4
149.09637	13.4
149.13158	4.6
155.08566	16.5
156.09354	11.9
157.10150	41.2
158.10919	7.0
159.11737	23.4
161.09593	21.6
161.13307	10.5
165.07047	5.4
166.07796	4.7
168.09349	8.7
169.10115	21.9
170.10918	8.8
171.11642	26.2
173.09654	7.0
173.13290	20.7
175.11217	4.1
175.14876	9.5
179.08490	10.9
179.14311	10.3
181.10147	15.3
182.10948	6.0
183.11694	20.7
185.09637	4.8
185.13239	19.0
187.11186	6.4
187.14839	20.7
189.12753	4.6
190.55330	4.1
193.10106	8.9
194.10898	12.1
195.11769	20.3
196.12389	4.9
197.13297	14.8
199.14755	21.3
207.11705	7.3
209.13242	27.9
210.14102	6.6
211.14821	14.3
213.12807	4.4
221.13274	7.0
223.14847	11.8
225.16350	9.3
227.14307	9.3
232.12486	4.5
237.16463	6.5
239.14226	4.1
239.18021	10.7
251.17882	6.3
253.06096	4.2
253.19417	5.4
255.17552	6.3
265.19553	7.5
267.20810	4.4
307.94125	3.8
321.25745	6.8
327.41907	3.8
331.24048	6.5
349.24878	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03950	0.4
55.05514	2.2
57.03421	0.3
57.07073	4.9
59.02849	0.3
60.82705	0.3
64.98842	0.3
67.05505	3.5
69.07070	2.7
69.28939	0.8
69.29350	1.8
71.04981	0.8
71.08636	3.2
71.42268	0.3
76.24045	0.3
79.05496	3.1
81.07054	6.1
83.04971	0.5
83.08623	0.9
85.06538	1.7
89.94180	0.3
91.05507	1.8
93.07047	3.2
95.04940	0.7
95.07993	0.3
95.08606	5.8
97.06531	0.8
97.10135	0.8
98.20776	0.6
99.08125	1.5
99.79703	0.3
105.07039	1.7
107.04962	0.6
107.08604	3.0
109.06524	17.2
109.10175	1.9
111.08065	0.6
117.06972	0.5
119.08580	1.8
121.10159	1.9
122.07302	2.2
123.08073	25.5
124.08455	0.4
131.08580	0.6
133.10081	1.5
135.08046	3.4
135.11696	0.4
137.09618	0.7
145.10136	0.9
147.11684	0.9
149.13255	0.5
151.14851	0.4
159.11691	0.7
161.13237	0.4
165.12798	0.7
167.14352	0.7
179.14311	100.0
180.14693	1.2
193.15883	3.0
225.16370	0.4
275.20248	0.3
289.25323	0.4
291.57928	0.4
293.21136	0.5
331.26303	2.8
349.27377	74.9
350.27652	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03941	0.8
55.01876	1.2
55.05312	0.6
55.05519	6.0
57.03434	1.3
57.07072	1.2
59.04994	0.5
65.89538	0.5
67.05508	7.5
69.03423	0.6
69.06728	0.9
69.07073	12.0
70.30348	2.0
71.04993	2.3
71.08636	0.6
71.87234	0.5
79.05499	6.3
81.07066	10.8
83.05006	1.0
83.08623	3.6
85.06548	1.2
91.05505	4.0
93.07059	7.9
95.04965	0.7
95.08616	9.6
97.06535	2.4
97.10158	1.1
105.07027	4.4
107.08596	7.2
109.06525	10.9
109.10175	5.2
109.74570	0.5
111.08094	2.7
117.07008	0.7
119.08592	4.9
121.06501	1.1
121.10158	5.1
122.07303	1.2
123.08073	73.8
123.11715	1.5
125.09631	1.0
131.08582	1.7
133.06403	0.6
133.10118	3.0
135.08051	5.7
135.11739	2.9
137.09596	4.1
137.13220	0.8
139.11278	0.6
143.08624	0.6
145.10168	1.4
147.11713	2.6
149.09622	1.4
149.13280	2.1
151.11287	0.7
157.10126	1.0
159.11748	2.2
161.13304	1.9
163.11250	0.6
165.12794	1.2
167.14313	0.7
173.13231	0.9
177.12761	0.5
179.14334	4.4
193.12431	0.5
231.15956	0.5
233.18918	0.6
275.20151	2.3
293.21140	18.0
303.26816	0.9
307.22708	1.6
313.21478	0.8
331.22742	0.8
331.26367	4.4
345.16580	0.5
349.27399	100.0
350.27707	2.3
372.26633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01875	1.2
55.05518	5.1
57.03429	0.5
57.07069	1.2
65.00826	0.5
67.05504	6.1
69.06684	0.6
69.07068	11.8
69.39149	2.4
69.39551	1.0
71.04976	1.6
71.08632	0.7
73.06551	1.1
73.81831	0.5
79.05498	4.1
81.07058	8.9
83.04993	0.9
83.08634	5.2
85.06545	1.3
87.65820	0.5
91.05485	2.7
93.07056	4.3
95.04959	0.7
95.08620	9.1
97.06536	2.4
97.10149	0.6
98.20724	0.8
99.08065	0.7
105.03434	0.9
105.07050	4.0
107.08601	6.3
109.06525	10.8
109.10161	3.5
111.08092	1.5
111.99971	1.5
112.36584	0.4
119.08581	4.4
121.00488	1.8
121.10143	4.4
122.07352	0.8
123.08073	64.7
123.11710	1.9
125.09617	0.8
131.08557	1.4
133.10152	3.0
134.01241	1.0
135.08058	5.0
135.11702	2.3
137.09628	4.4
137.13185	0.7
143.08563	0.6
145.10176	1.4
147.11696	2.3
149.02419	0.7
149.09618	1.6
149.13304	2.5
151.11201	1.1
159.11702	1.1
161.13266	1.3
163.00510	1.3
163.11200	0.7
165.12779	1.0
167.14279	0.6
167.99664	5.1
172.00955	0.8
173.13304	0.9
175.14790	0.7
177.00215	3.5
177.12787	0.8
179.14302	11.9
185.13219	0.5
188.50999	0.5
190.00990	4.6
199.01537	2.6
199.51718	0.6
208.02054	1.0
212.49242	0.5
217.02606	0.7
225.32692	0.5
233.19025	1.1
239.04060	0.6
264.01843	1.8
264.51901	0.6
273.02429	0.5
275.20148	1.8
286.03070	2.1
289.25232	1.0
293.21130	19.1
295.03842	1.0
304.04221	1.4
307.22775	0.8
313.04514	0.9
317.04956	2.2
317.55197	0.7
326.05521	3.5
331.26175	3.3
349.27393	100.0
350.27719	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
55.01866	0.9
55.05511	5.6
57.07091	2.7
59.05015	0.6
67.05511	5.3
69.06730	0.8
69.07076	10.2
69.26667	4.1
71.05013	0.9
71.08641	1.3
76.59357	0.5
77.24390	0.5
79.05498	3.6
81.07056	8.4
83.08626	4.1
84.84664	0.5
85.06517	1.1
91.05473	1.7
91.18851	0.5
93.07056	5.2
95.08612	7.6
97.06533	1.7
99.08141	0.8
105.07054	2.8
107.08598	5.3
109.06516	13.4
109.10181	2.8
111.08093	1.8
117.06971	0.8
119.08590	3.2
121.10133	3.8
122.07303	0.9
123.08075	65.0
123.11721	1.1
124.08411	0.7
131.08589	0.6
133.10141	2.2
135.08041	4.7
135.11726	1.3
136.08902	0.9
137.09631	2.7
145.10167	0.9
147.11705	1.7
149.09666	1.1
149.13293	1.9
151.11183	0.6
159.11728	0.9
161.13266	1.1
162.90538	0.5
163.11206	0.8
173.40669	0.5
177.12769	0.9
179.14325	29.5
180.14569	0.7
188.38022	0.5
193.15964	0.7
233.18988	0.5
275.20090	1.2
289.25327	1.0
293.21109	14.6
307.22644	0.6
331.26212	3.1
349.27390	100.0
350.27698	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03950	1.1
55.01881	1.0
55.05519	6.9
55.31974	0.5
57.07073	1.6
63.15218	0.5
65.19006	0.6
66.09826	0.5
66.58259	0.5
67.05519	5.1
69.06722	1.0
69.07074	10.7
69.27033	5.2
71.04989	1.7
71.08634	0.7
79.05506	5.0
81.07066	8.8
83.04990	1.7
83.08630	4.1
85.06548	0.8
91.05495	2.4
93.07046	5.4
95.08612	7.7
97.06545	2.0
97.10184	1.2
97.40925	0.5
105.07030	3.7
106.23152	0.5
107.08596	5.7
109.06522	10.8
109.10156	3.4
111.08102	1.9
117.07038	0.6
119.08586	4.4
121.06533	0.6
121.10138	4.6
123.08076	72.3
123.11730	1.5
124.08396	0.6
125.09671	0.6
131.08588	0.9
133.10150	3.3
135.08061	5.7
135.11674	1.9
137.09627	3.7
145.10144	1.6
147.11699	2.4
149.09641	1.6
149.13290	2.2
159.11693	1.3
161.13261	1.7
163.11191	0.8
165.12767	0.9
165.38011	0.6
171.27667	0.5
179.14330	8.3
189.32268	0.6
233.19115	0.9
247.24068	0.5
252.39055	0.6
254.70886	0.6
264.49451	0.6
275.20178	2.0
289.25275	1.0
293.21124	19.2
293.24307	1.1
303.26892	0.8
331.26404	4.1
349.27396	100.0
350.27759	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	349.274
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.61058	1.2
55.05511	8.2
57.03437	2.0
57.07064	4.1
61.07843	1.1
67.05503	10.6
69.07070	12.1
71.05000	2.2
71.08618	3.0
79.05487	6.3
81.07063	13.5
83.08608	4.4
85.06529	2.8
90.20382	1.4
91.05489	4.8
93.07037	8.8
95.04971	2.0
95.08610	14.7
97.06509	3.0
99.08080	2.1
104.71133	1.2
105.07024	5.6
107.08611	6.6
109.06529	19.8
109.10151	4.6
111.08092	2.0
117.06947	1.3
119.08583	5.0
121.06508	1.3
121.10121	4.0
122.07249	2.1
123.08073	56.6
131.08546	2.5
133.10161	5.5
135.08078	4.8
135.11699	2.9
137.09618	3.1
145.10158	2.3
149.13237	3.1
159.11708	3.9
161.13329	2.8
165.12724	1.5
178.77516	1.2
179.14328	73.9
180.14719	1.3
275.20187	1.8
293.21063	10.2
331.26285	5.7
349.15564	2.6
349.27405	100.0
350.27530	1.7
350.33719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61058	1.2
55.05511	8.2
57.03437	2.0
57.07064	4.1
61.07843	1.1
67.05503	10.6
69.07070	12.1
71.05000	2.2
71.08618	3.0
79.05487	6.3
81.07063	13.5
83.08608	4.4
85.06529	2.8
90.20382	1.4
91.05489	4.8
93.07037	8.8
95.04971	2.0
95.08610	14.7
97.06509	3.0
99.08080	2.1
104.71133	1.2
105.07024	5.6
107.08611	6.6
109.06529	19.8
109.10151	4.6
111.08092	2.0
117.06947	1.3
119.08583	5.0
121.06508	1.3
121.10121	4.0
122.07249	2.1
123.08073	56.6
131.08546	2.5
133.10161	5.5
135.08078	4.8
135.11699	2.9
137.09618	3.1
145.10158	2.3
149.13237	3.1
159.11708	3.9
161.13329	2.8
165.12724	1.5
178.77516	1.2
179.14328	73.9
180.14719	1.3
275.20187	1.8
293.21063	10.2
331.26285	5.7
349.15564	2.6
349.27405	100.0
350.27530	1.7
350.33719	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.3
57.07080	41.1
59.04999	0.6
60.88616	0.7
67.05500	2.1
69.07069	3.2
71.08637	26.5
71.51643	1.4
73.06552	3.3
73.79547	0.8
79.05503	2.7
81.07069	4.1
83.08624	2.5
85.10188	19.2
87.04465	0.9
89.06037	100.0
91.05476	1.1
93.07049	1.9
95.04970	0.8
95.08611	3.0
97.06532	0.7
97.10186	2.9
99.11738	2.5
105.07059	2.2
107.07075	6.7
107.08602	2.0
109.06533	3.0
109.10166	1.3
111.11684	0.8
113.00018	1.1
117.07018	1.3
119.08609	2.7
121.06490	0.9
121.10155	2.3
123.08086	6.5
130.08649	2.9
131.08548	1.1
133.08612	31.8
133.10211	1.6
135.08084	1.3
135.11740	0.9
135.31213	0.7
145.10149	2.0
147.11729	1.1
151.09654	4.9
155.17976	1.4
157.10132	1.0
159.11717	1.3
174.56233	0.7
177.11252	6.4
179.14339	10.2
195.12292	18.0
224.24382	0.7
233.45203	0.8
243.23386	1.0
249.89418	0.8
293.21185	0.9
349.27237	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	350.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86016	4.1
51.72923	3.4
58.06590	11.0
61.02922	4.0
65.03934	6.9
69.03408	3.8
70.06583	12.4
71.07609	5.1
71.07934	6.0
72.08120	5.8
75.13802	3.6
81.03449	4.5
83.04970	5.7
85.02892	16.4
93.03393	5.5
97.02851	4.8
102.99940	4.2
109.02866	4.1
111.04443	24.4
122.87093	3.9
123.86551	3.9
127.03923	4.7
132.95792	6.0
139.03912	72.6
145.05002	4.3
153.87024	3.7
161.06175	3.8
171.06531	100.0
188.03735	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	350.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.8
56.05041	4.1
58.99596	1.2
60.04530	20.4
61.01159	2.2
69.07067	5.8
69.53314	0.8
70.02928	0.9
70.06595	8.3
71.05005	1.0
71.51019	1.5
71.51401	0.9
72.04523	0.9
72.08160	1.4
81.03443	1.0
81.07052	2.2
84.04485	1.7
84.08149	4.2
85.04888	0.8
86.09712	76.0
87.02679	1.5
87.05598	11.4
90.05569	1.0
95.04939	1.2
104.05341	6.0
105.06623	2.7
110.07145	1.3
110.09685	1.8
116.07070	1.2
120.08186	0.9
123.73766	0.8
128.10735	13.3
129.10243	2.3
133.03212	4.0
137.92387	0.9
143.11743	0.9
150.05840	13.6
153.05463	2.4
170.54807	0.8
173.12874	100.0
174.13217	1.4
188.09192	3.2
194.47131	0.9
201.10539	1.6
201.12361	21.2
201.14217	1.4
204.17976	0.9
263.14230	1.4
350.09079	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.05518	6.0
56.05019	3.9
61.02916	4.0
61.47781	3.1
62.74306	3.0
67.05511	6.6
69.03426	12.9
69.07045	3.4
70.06606	22.4
71.04998	8.9
71.51392	4.8
72.08136	8.8
78.94016	3.4
81.03415	7.3
81.07059	14.4
83.04968	3.6
83.08623	9.0
84.08138	11.4
85.02905	30.1
86.03257	3.8
86.09714	27.3
91.05465	10.7
93.07044	20.2
95.04976	3.3
95.08609	14.7
97.02895	7.7
97.06524	8.1
98.06026	3.9
99.04479	3.5
107.08601	26.4
109.02891	6.8
109.10158	16.6
110.07106	3.8
120.08107	12.1
121.02878	47.6
123.11707	5.3
127.03880	8.8
128.04308	4.2
135.11699	44.7
145.05063	4.6
146.06023	6.4
147.04407	4.9
150.42905	3.7
153.12773	20.9
158.11765	7.6
171.13823	12.1
175.03925	4.9
187.06091	6.7
188.06371	7.0
188.09138	3.6
203.03406	14.2
231.02882	100.0
249.03905	16.3
257.04431	3.8
309.07483	6.1
351.08578	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02829	4.1
53.35510	5.2
60.51071	4.2
69.03418	6.1
69.07057	7.4
69.48365	34.7
70.06578	20.1
72.08160	7.4
81.03391	6.8
81.07047	9.1
84.08123	4.9
85.02882	15.7
86.09705	100.0
91.05449	5.2
93.07047	34.9
95.08585	11.6
97.02863	6.7
97.06502	12.6
98.21465	10.1
103.05484	5.1
107.08590	27.1
109.10091	7.9
120.08096	31.3
121.02917	7.8
127.03886	6.9
135.11687	45.5
153.12724	39.8
157.13359	55.1
166.08583	9.4
171.13837	17.1
185.12830	12.6
322.07877	8.1
323.09186	7.9
350.07422	26.6
351.08521	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23943	2.6
53.03936	6.2
55.05506	12.1
57.03424	3.6
59.62266	2.9
60.04521	19.4
61.02917	6.0
67.05493	8.4
68.30599	3.2
69.03428	14.9
69.07077	29.2
70.06591	3.9
70.53771	9.0
71.04992	5.0
79.05493	9.8
81.03388	9.1
81.07061	22.0
83.04967	3.8
85.02904	41.2
85.06566	3.4
89.46017	3.2
91.05475	16.5
93.07050	100.0
93.07636	5.7
95.04989	5.4
95.08627	13.4
97.02902	11.1
97.06515	8.0
99.04408	3.2
105.07035	7.1
107.08598	52.2
109.02857	2.8
109.06526	3.2
109.10144	11.2
115.87745	2.9
119.08515	5.5
120.08115	6.1
127.03880	7.8
131.78696	3.0
135.11702	79.5
137.06543	3.0
137.13255	6.8
145.04953	10.4
145.07585	5.7
147.09149	7.5
153.12741	45.9
159.09174	4.8
160.09633	2.9
163.06059	3.4
172.95920	2.8
191.08165	32.2
216.07634	2.8
237.81581	3.2
254.21465	2.8
263.14182	3.4
307.13037	18.4
319.09708	3.4
331.44623	2.7
332.27747	4.5
350.07623	3.4
350.13437	14.3
350.28931	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.5
58.10614	5.4
61.02921	8.2
61.13624	6.6
69.03422	19.1
69.07054	24.2
70.03754	8.0
70.06575	22.6
71.04986	13.5
71.51173	9.6
72.08165	5.5
79.05503	6.5
81.03405	14.0
81.07060	24.0
83.08630	8.5
84.08117	8.1
85.02912	33.7
86.03250	7.0
86.09715	49.7
91.05479	15.4
93.07050	18.6
95.04984	5.6
95.08585	5.4
97.02887	14.7
98.21555	5.4
99.04456	6.1
100.11260	10.9
104.94934	5.3
105.07020	6.2
107.08588	24.0
109.02873	10.6
109.10155	5.9
119.08574	6.6
120.08098	52.7
125.13211	8.4
127.03883	12.0
128.04324	7.7
135.11711	30.4
145.04977	10.0
153.12750	100.0
157.13382	24.1
185.12805	7.1
187.06049	12.0
188.03833	7.3
188.06409	7.3
191.11824	12.3
339.53830	5.1
351.11932	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58709	24.4
71.04985	33.7
71.35030	30.0
71.35362	34.0
73.34834	26.3
79.67488	23.4
81.03394	22.6
81.07043	46.7
85.02895	34.6
89.54706	27.1
91.05482	36.3
92.93837	28.2
100.11228	58.4
120.08094	42.3
137.06061	24.1
153.12759	100.0
221.56187	25.6
319.09561	31.6
349.99661	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12580	3.5
55.05497	13.3
65.03915	4.9
67.05502	8.6
69.03430	24.2
69.07076	29.4
70.06601	9.4
71.05006	4.4
71.15006	6.3
73.02914	5.7
79.05482	10.4
81.03404	12.0
81.07071	18.5
82.03726	5.4
83.08614	4.5
85.02905	59.8
86.03255	5.3
86.09698	8.0
89.66666	4.0
91.05464	17.1
93.07045	94.2
95.04950	4.2
95.08599	19.5
97.02882	13.8
97.06535	8.4
99.04440	5.9
100.11263	8.2
102.74518	4.3
105.07047	6.2
107.08604	69.4
109.02866	10.7
109.10147	13.2
110.03223	4.2
119.08578	5.2
120.08073	6.6
125.23309	4.3
127.03925	16.0
128.04268	4.0
135.11707	100.0
145.04962	13.0
153.12755	35.8
187.06038	4.7
188.06297	5.7
208.92728	4.7
231.08076	5.1
247.07750	3.9
248.08282	5.4
259.07611	5.0
273.09192	7.3
276.07935	4.5
289.08337	5.3
290.09418	5.4
304.07248	5.9
319.09650	30.3
351.12238	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	351.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01891	4.9
55.05539	1.4
61.02950	1.0
63.54770	0.9
65.40778	1.0
67.05511	1.8
68.53146	1.1
68.99765	1.1
69.03433	37.1
70.42469	0.9
70.69952	1.0
71.04988	4.8
79.05502	2.5
81.03429	11.8
81.07043	3.0
82.25544	1.0
83.01339	5.2
83.04983	1.3
85.02915	6.7
91.05486	69.2
93.07037	2.7
95.08609	2.0
97.02924	9.5
98.21151	8.6
99.04465	10.4
105.07021	4.5
107.08594	1.6
109.02876	7.1
115.03937	3.8
115.05459	3.8
115.16072	1.1
115.80049	1.0
117.07021	4.0
119.08580	1.9
121.10124	1.9
127.03931	27.5
127.04830	2.0
133.06503	2.8
133.10083	2.4
135.11734	1.7
137.05965	1.5
143.04926	2.1
145.04970	100.0
145.10173	1.0
147.04424	3.3
161.05994	25.6
161.07283	1.8
161.13309	2.0
171.04425	16.2
171.08160	1.1
173.04472	4.4
175.07617	1.1
179.07031	11.9
187.07588	1.5
189.05460	3.2
202.07860	2.0
205.06575	1.3
207.06668	1.3
219.08128	1.7
229.57849	1.2
231.08134	2.2
242.31152	1.2
247.07483	2.7
248.08353	1.4
256.72217	1.3
259.07599	2.8
259.20380	1.3
276.07855	2.0
289.08597	1.4
290.09293	3.4
291.10110	5.1
293.08163	1.2
303.06650	1.2
304.07346	2.0
305.07770	1.2
319.09616	10.9
320.10464	1.9
321.07495	1.9
336.09900	1.6
351.12396	18.5
351.21509	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01891	4.9
55.05539	1.4
61.02950	1.0
63.54770	0.9
65.40778	1.0
67.05511	1.8
68.53146	1.1
68.99765	1.1
69.03433	37.1
70.42469	0.9
70.69952	1.0
71.04988	4.8
79.05502	2.5
81.03429	11.8
81.07043	3.0
82.25544	1.0
83.01339	5.2
83.04983	1.3
85.02915	6.7
91.05486	69.2
93.07037	2.7
95.08609	2.0
97.02924	9.5
98.21151	8.6
99.04465	10.4
105.07021	4.5
107.08594	1.6
109.02876	7.1
115.03937	3.8
115.05459	3.8
115.16072	1.1
115.80049	1.0
117.07021	4.0
119.08580	1.9
121.10124	1.9
127.03931	27.5
127.04830	2.0
133.06503	2.8
133.10083	2.4
135.11734	1.7
137.05965	1.5
143.04926	2.1
145.04970	100.0
145.10173	1.0
147.04424	3.3
161.05994	25.6
161.07283	1.8
161.13309	2.0
171.04425	16.2
171.08160	1.1
173.04472	4.4
175.07617	1.1
179.07031	11.9
187.07588	1.5
189.05460	3.2
202.07860	2.0
205.06575	1.3
207.06668	1.3
219.08128	1.7
229.57849	1.2
231.08134	2.2
242.31152	1.2
247.07483	2.7
248.08353	1.4
256.72217	1.3
259.07599	2.8
259.20380	1.3
276.07855	2.0
289.08597	1.4
290.09293	3.4
291.10110	5.1
293.08163	1.2
303.06650	1.2
304.07346	2.0
305.07770	1.2
319.09616	10.9
320.10464	1.9
321.07495	1.9
336.09900	1.6
351.12396	18.5
351.21509	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78090	0.9
67.05503	1.3
69.03426	2.0
69.53062	0.9
71.04999	1.4
71.11567	1.1
71.11908	1.6
76.15229	0.8
81.03403	2.1
81.07053	0.9
85.02894	2.1
86.63308	0.9
91.05473	3.3
93.07051	1.1
95.08607	1.8
105.07035	1.6
107.04997	0.9
109.02890	1.3
109.50321	0.9
119.08596	1.5
126.76365	0.9
128.06172	1.0
145.10188	1.0
147.04384	0.9
153.07106	1.0
157.48016	0.8
161.09747	1.1
165.06995	1.1
175.14816	0.9
189.07036	2.4
190.07790	2.8
191.08633	2.7
192.09538	1.0
199.07495	1.0
202.07796	6.1
203.08591	4.9
205.06570	2.8
206.07275	1.5
207.06488	1.4
212.99614	0.8
215.08612	2.8
217.06514	1.3
218.07352	3.1
219.08092	7.1
220.08878	3.6
229.06512	1.5
230.07265	5.9
231.08057	12.5
232.08884	2.6
233.06042	3.5
233.09528	1.0
234.06799	1.7
237.09146	1.4
242.07288	1.2
245.05960	2.1
245.09662	1.9
246.06868	4.3
247.07568	13.3
248.08339	10.7
249.09058	2.0
257.06009	1.1
258.06772	5.5
259.07584	8.7
260.08401	5.1
261.05649	5.4
261.09064	4.4
262.06287	2.2
262.09952	1.6
263.10785	2.8
265.08685	3.4
273.06009	1.7
273.09067	17.9
274.06348	3.7
275.07117	6.5
276.07843	18.5
277.08652	6.0
287.07111	2.6
288.07813	1.6
289.05188	2.3
289.08618	10.7
290.06171	2.0
290.09363	13.4
291.10150	15.1
293.08044	4.2
301.08655	10.5
304.07291	13.0
305.08105	7.6
308.10468	1.0
318.08899	1.4
319.09665	100.0
320.10428	15.4
321.07605	1.5
323.12927	2.1
326.41113	0.9
336.09943	3.3
351.12317	37.8
351.29260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1231
Annotation	XR 774
Peak:m/z	Relative Intensity
50.78112	0.5
52.54277	0.4
53.44970	0.7
53.58290	0.5
69.03373	1.2
70.06521	0.7
81.03336	1.6
81.03766	0.5
85.02832	0.8
89.34235	0.5
91.05375	2.1
91.05875	0.6
93.06988	0.9
95.08556	0.9
98.66094	0.6
105.06954	1.3
114.93827	0.5
115.05389	0.8
119.04858	1.4
131.04897	0.9
133.10057	0.5
137.44965	0.6
137.56535	0.5
144.52039	0.5
147.04332	1.2
159.07939	0.9
161.05864	0.8
175.03854	1.4
189.06898	2.3
189.08522	0.5
190.07692	2.2
191.08528	2.4
199.07510	0.6
202.07799	8.4
203.08572	4.4
205.06450	3.3
205.09966	0.6
206.07353	0.5
207.06468	2.7
207.08156	0.7
213.07040	0.7
214.07660	0.6
215.08653	3.0
217.06436	1.3
218.07286	3.3
219.08054	8.4
220.08820	3.8
221.09480	0.6
229.06532	1.2
230.07257	6.4
231.08063	12.5
232.08809	3.1
233.06001	4.2
233.09621	0.9
234.06648	1.6
235.07593	0.6
235.11171	0.6
237.09067	1.2
242.07245	1.8
243.08080	1.3
245.05934	2.3
245.09584	1.8
246.06824	5.1
247.07587	10.2
248.08333	9.3
249.09094	1.8
258.06769	5.3
259.07556	8.6
260.08316	5.7
261.05539	4.7
261.08978	3.0
262.06207	2.6
262.10172	0.8
263.10666	2.7
264.07825	0.7
265.08603	3.3
272.08365	0.6
273.05905	0.8
273.09116	18.0
274.06250	4.1
274.09454	1.0
275.07047	7.6
276.07828	16.6
277.08636	5.7
280.07446	0.7
286.06467	0.6
286.12512	0.5
287.06976	1.2
288.07809	1.4
289.05005	3.0
289.08575	10.0
290.05731	1.2
290.09357	13.9
291.10123	13.7
293.08075	3.8
301.08615	9.5
301.11768	0.9
303.06622	1.3
304.07349	16.3
305.08127	8.4
307.09650	0.5
308.10416	1.4
318.08868	2.3
319.09674	100.0
320.10388	15.3
320.82379	0.5
323.12891	1.8
333.11084	0.5
336.09778	2.4
351.12305	37.3
352.12729	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61898	0.5
56.44551	0.5
67.51598	0.5
69.62251	3.5
70.06593	2.2
72.08131	0.9
79.41572	0.5
81.07060	0.7
84.08132	2.1
86.09721	1.0
110.34223	0.5
120.08080	0.8
129.10220	0.8
175.08780	0.7
188.09413	0.7
199.08662	2.9
200.09468	8.3
201.10249	7.9
202.10986	1.0
212.09521	0.9
213.10263	7.4
214.11049	7.2
215.08473	0.7
215.11809	19.0
216.12297	1.0
217.09746	1.4
219.11302	10.4
219.13231	0.9
226.10999	2.7
227.08144	0.9
227.11809	1.6
228.08875	0.9
228.12534	2.6
231.11290	2.5
232.12128	0.8
233.12778	0.6
241.09709	2.1
241.13316	5.0
242.10519	12.4
243.11263	2.5
245.09146	1.2
254.10657	1.0
255.11301	1.3
256.12100	2.9
258.29996	0.6
259.10825	4.0
260.11569	4.0
261.12335	1.2
269.12915	5.2
272.11551	0.6
274.13126	0.7
277.11829	3.2
282.10147	0.7
287.13766	2.4
289.15311	0.7
297.12366	6.8
300.10995	2.5
315.13409	17.0
333.14453	19.1
350.86145	0.6
351.15527	100.0
352.15851	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79007	1.5
53.03949	2.5
55.01871	2.1
55.05510	6.6
57.03424	2.5
61.02929	7.5
67.05505	3.6
69.03423	6.1
69.07072	12.5
70.06589	6.5
70.94547	3.5
71.81667	1.6
73.02893	1.6
79.05491	7.5
81.03417	5.6
81.07069	10.3
83.04989	14.5
83.08631	3.2
84.08136	2.7
85.02927	7.0
86.09700	4.8
91.03957	3.2
91.05482	16.4
93.07037	9.3
95.01336	3.7
95.04955	4.4
95.08611	17.5
97.02891	2.9
97.06532	6.0
103.03909	1.7
103.05486	2.5
105.07030	23.3
107.05025	2.1
107.08597	14.5
109.02898	2.9
109.06531	4.3
109.10152	12.7
111.04448	2.8
111.08074	4.1
113.02345	2.1
113.06004	1.5
116.16310	1.3
117.07047	4.3
119.04919	2.9
119.08587	67.2
120.08117	34.2
120.09349	3.1
121.06523	4.4
121.10140	20.1
123.04440	4.3
123.08088	2.5
123.11719	6.2
127.03935	2.9
131.08565	4.6
133.06493	1.6
133.10139	68.5
134.10945	2.9
135.08047	1.9
135.11650	3.3
137.05954	3.5
138.53091	1.7
139.03914	2.5
139.07495	2.1
145.10147	5.7
146.06056	4.6
147.04453	4.1
147.11700	30.8
148.12326	1.6
149.05997	2.3
151.03909	2.8
153.05568	3.2
160.12497	1.9
161.06026	3.0
161.09621	2.0
161.13245	14.0
167.07050	5.2
171.11742	1.5
173.13322	3.1
175.04120	1.7
175.14841	100.0
176.15591	12.3
177.03970	2.2
181.08745	2.2
183.06514	7.1
185.08080	2.5
187.14778	1.8
188.07094	10.7
189.05487	3.1
189.09244	1.6
203.10796	1.7
205.09720	4.5
207.06572	4.2
207.13747	1.5
211.06000	15.2
211.09570	2.6
219.24353	1.4
229.07091	14.5
243.08655	5.8
245.15480	1.9
250.83743	1.5
255.08731	2.5
257.10251	4.2
277.08615	2.2
304.07257	1.6
305.17529	5.0
311.45999	1.5
319.09915	7.3
320.10245	2.0
333.16928	3.4
351.11932	4.7
351.18082	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	351.2015
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
55.05504	10.2
56.05018	10.4
60.11974	9.5
62.22451	9.8
67.53683	7.7
69.03438	15.4
69.05583	8.8
70.06582	28.1
71.04974	22.8
74.06092	10.8
79.05462	9.8
81.07072	53.0
84.04504	20.7
84.08148	22.9
86.09715	22.1
91.05486	23.6
93.07050	20.7
99.18429	8.8
107.08640	14.4
120.08106	10.1
124.02292	13.8
129.10229	13.0
135.11697	26.1
136.25183	7.8
153.12776	100.0
173.12776	10.8
174.17636	8.2
204.08492	12.1
210.55865	8.5
214.47836	8.5
244.16431	10.7
252.55196	8.8
291.13110	9.3
322.90021	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	351.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	8.4
60.04521	12.3
69.03413	9.4
69.07063	8.5
70.06594	100.0
70.29333	4.7
70.75256	10.7
71.04996	14.0
71.06922	13.5
72.08141	14.3
79.05479	6.0
81.03407	4.7
81.07066	26.6
84.04490	17.2
84.08152	56.8
85.02888	11.0
85.93767	4.3
86.09311	4.5
86.09719	50.6
87.09982	4.9
91.05477	13.0
93.07034	16.4
93.69428	4.9
95.63905	5.4
97.02886	6.1
100.38831	4.4
107.04967	5.6
107.08581	13.4
110.07137	11.3
116.07122	6.4
119.04926	7.3
120.08087	14.4
129.10254	29.5
130.08681	5.2
131.04857	4.9
135.11673	24.3
146.06033	6.9
147.04399	7.8
153.12753	74.6
156.07715	5.2
173.12872	8.6
174.13190	7.6
175.03859	7.3
188.07013	7.3
204.08476	6.9
207.06482	11.1
238.20233	4.6
264.14175	9.0
297.12823	5.3
351.15515	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	351.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.8
55.01865	4.1
55.05508	6.2
57.03444	2.9
67.05499	4.9
69.03431	10.7
69.07059	13.8
70.06599	5.1
71.04990	6.1
71.51139	2.1
73.02896	2.4
79.05486	6.0
81.03410	8.8
81.07069	12.0
83.04973	2.7
84.08132	3.3
85.02898	19.0
85.06525	2.2
86.09705	6.3
91.05484	13.5
92.05789	2.3
93.07050	13.9
94.07402	1.9
95.04962	3.1
95.08603	15.4
96.44549	2.1
97.02877	2.7
97.06571	3.9
99.04449	2.8
103.05446	3.8
105.07013	8.7
107.08618	17.6
109.02849	4.6
109.06517	4.6
109.10171	18.6
115.05423	2.9
117.07045	4.2
119.04893	2.5
119.08590	5.8
120.08105	5.3
121.08408	2.9
121.10139	2.8
123.11728	5.7
124.25467	1.9
127.03916	5.9
129.07037	4.3
130.06516	9.0
131.04939	3.3
132.08104	12.3
133.02950	2.2
133.06491	2.4
133.10155	7.0
135.11697	21.3
137.06023	3.2
137.09671	2.2
144.08066	8.0
145.04921	2.8
145.10048	2.2
146.05997	4.3
147.04388	3.7
147.11670	4.4
153.12776	24.8
159.09178	16.7
161.06015	4.7
171.04465	2.5
171.13753	3.8
175.03925	3.4
175.14882	3.2
189.05437	3.3
189.14864	5.7
202.07825	9.3
203.08528	5.8
205.06593	3.0
207.06473	6.0
215.08621	2.6
218.07281	3.6
219.08026	7.1
220.08815	3.2
230.07248	9.0
231.08026	11.8
233.05920	3.2
238.63728	2.7
246.06892	4.0
247.07492	12.9
248.08331	9.5
258.06717	4.2
259.07553	7.1
260.08292	5.5
261.05435	5.1
261.09039	2.7
265.08716	2.7
273.09125	23.1
274.06400	3.3
274.63208	2.1
275.07126	5.2
276.07874	19.4
277.08530	5.9
289.08545	6.7
290.09207	10.4
291.10193	17.4
293.08026	5.5
301.08536	7.9
301.11700	2.3
304.07394	12.4
305.07965	10.7
319.09668	100.0
320.10419	16.1
335.13766	6.6
336.09677	3.6
351.12155	39.4
351.18262	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	351.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01873	10.1
55.05509	11.8
57.03447	8.8
57.07074	1.7
67.05187	1.4
67.05508	24.0
69.03423	3.4
69.07070	12.5
70.56696	3.2
71.04973	1.2
79.05070	2.0
79.05496	28.6
81.03453	1.5
81.07060	55.0
83.04977	4.1
83.08597	5.3
85.02873	1.2
91.05485	25.0
93.06492	2.2
93.07050	32.0
95.04965	2.8
95.08610	19.7
97.06524	4.2
97.10115	1.4
99.04496	1.3
99.08071	2.4
103.05444	1.6
105.06326	1.2
105.07035	21.5
107.04955	2.3
107.08604	20.4
109.02888	1.3
109.06519	13.1
109.10146	9.2
111.04433	13.5
111.08101	1.8
113.05994	1.1
117.07021	4.9
119.04894	2.5
119.08578	18.3
121.10150	17.7
123.08030	2.7
123.11655	3.2
125.05940	2.8
127.03876	1.7
129.06995	3.3
131.08565	9.0
133.10118	17.0
135.08023	3.7
135.11687	20.2
137.05983	100.0
137.09621	2.8
137.13246	2.8
141.06879	1.1
143.08574	4.8
145.04945	3.6
145.10141	8.9
147.04388	4.9
147.08023	2.2
147.11700	19.0
149.09642	4.1
149.13248	9.8
151.07536	2.4
151.11154	2.0
157.10126	5.2
159.11665	7.8
161.09601	5.0
161.13272	13.9
163.11147	4.6
163.14833	2.5
165.09082	2.5
165.12759	2.0
167.07104	1.2
171.11710	6.4
173.13205	3.8
175.11220	5.5
175.14815	4.8
177.12816	2.5
179.10622	2.1
179.14246	3.1
185.13234	3.5
189.12727	2.1
198.53899	1.2
199.14809	2.8
202.07802	2.6
203.08514	1.7
203.14262	1.7
203.17955	5.0
205.06512	1.2
213.16360	4.0
215.08411	1.5
217.15970	1.3
219.08105	3.1
221.19048	3.0
230.07297	1.8
231.08026	2.8
231.17442	10.4
231.21175	3.0
233.06052	2.3
241.15921	1.9
241.19481	8.6
246.06773	1.5
247.07544	3.6
248.08354	3.9
249.18486	12.3
258.06735	2.1
259.07471	2.5
259.20578	24.5
260.08295	1.7
261.05518	2.9
263.10495	1.3
265.08511	2.4
273.09109	3.1
275.07010	1.4
276.07730	6.4
277.08685	1.5
277.17969	39.5
277.21533	9.3
289.08575	2.6
290.09399	2.1
291.10193	3.7
295.19031	5.1
301.08389	1.5
304.07141	3.5
305.08078	2.3
319.09641	23.2
320.10278	3.9
333.24292	2.8
351.12366	18.2
351.21661	5.2
351.25290	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	351.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64036	0.6
53.03929	2.2
54.03276	0.6
55.01870	7.6
55.05266	0.9
55.05510	9.7
57.03439	7.8
57.07072	1.1
62.66267	0.6
65.03931	1.6
66.46538	0.6
67.05506	19.1
69.03414	1.3
69.07071	9.4
69.29290	5.2
71.04978	1.1
71.08614	1.0
75.78555	0.5
79.05494	18.9
81.03441	0.6
81.07058	46.9
83.04987	4.0
83.08612	5.6
85.06526	1.2
91.04921	0.8
91.05483	12.6
93.07047	19.5
95.04955	2.0
95.08607	13.6
97.06526	2.4
97.10174	1.7
99.08089	1.2
105.07034	12.4
107.08597	13.7
107.44946	0.5
109.06517	14.3
109.10172	7.3
111.03705	1.2
111.04444	14.1
111.08086	2.1
117.07021	2.4
119.08585	12.4
120.74042	0.7
121.10143	10.5
123.08073	2.4
123.11726	3.2
125.05986	3.4
125.09641	1.2
127.03920	0.9
129.07011	1.1
131.08592	5.2
133.06561	0.7
133.10132	10.2
135.08041	3.0
135.11700	9.9
137.05981	100.0
137.13220	1.5
143.08577	1.6
145.04921	1.3
145.10117	3.9
147.04398	1.0
147.08047	1.0
147.11699	12.2
149.09633	4.7
149.13280	4.6
151.07561	2.4
151.11218	1.2
153.01909	0.8
157.10141	2.4
159.11703	2.4
161.09621	6.4
161.13269	6.3
163.11183	3.2
163.14857	1.9
165.09155	2.7
165.12775	1.0
167.10637	0.9
171.11722	2.6
173.13286	2.6
175.11201	5.1
175.14821	2.9
177.12682	1.1
179.10703	2.0
179.14372	0.7
181.12206	0.9
185.13280	0.9
187.14893	0.7
189.11255	0.8
189.12785	1.0
193.12343	0.6
199.14830	1.3
203.17961	6.2
207.13817	0.6
213.16437	2.2
221.19016	2.5
231.17432	10.0
231.21201	0.8
241.15887	1.6
241.19589	3.4
249.18498	9.5
259.20572	9.5
259.23047	1.0
277.18018	38.8
277.21500	3.9
278.18427	0.6
295.19131	2.5
333.16821	0.5
351.12277	0.6
351.21588	5.8
351.25375	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	351.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57851	0.5
53.03949	0.9
53.59928	0.5
55.01873	7.7
55.05511	5.1
57.03441	4.0
57.07064	1.2
58.13229	0.5
60.19217	0.6
63.76456	0.6
65.03938	1.0
67.05502	6.0
69.03438	4.5
69.07073	4.7
70.66249	1.4
70.66585	0.5
71.04992	0.9
79.05493	8.1
81.03410	1.6
81.07059	34.7
83.01356	0.7
83.04970	2.4
83.08633	1.8
85.02909	1.5
90.29729	0.5
91.05481	13.1
93.07047	7.2
95.04990	0.6
95.08608	6.4
97.02882	1.3
97.06542	1.1
99.04462	1.0
101.09598	0.5
105.07039	6.4
107.08606	5.7
109.02889	1.5
109.05795	1.1
109.06519	13.0
109.10186	3.6
109.10809	0.6
109.38371	0.5
111.04449	14.7
111.08083	0.9
115.03893	0.6
115.05492	0.9
117.07039	1.8
119.04961	5.1
119.08584	6.2
121.10151	5.6
123.08094	2.0
123.11709	1.4
125.05996	4.8
125.09594	0.8
127.03915	2.6
129.06961	1.0
131.08624	2.7
131.80997	0.5
133.10120	7.0
135.08061	2.0
135.11693	5.2
137.05983	100.0
137.13252	1.9
138.06279	0.8
143.04926	0.7
143.08611	1.4
145.04987	7.4
145.06114	0.9
145.06471	0.7
145.10150	1.9
147.04419	17.8
147.08049	1.2
147.11699	7.9
147.24681	0.6
149.09630	4.0
149.13257	2.5
151.07547	2.5
151.11185	1.3
157.10117	2.2
159.11713	2.1
161.05994	2.5
161.09615	4.9
161.13243	2.8
163.11203	2.7
163.14818	1.4
165.09126	1.8
165.12721	0.6
167.10707	0.9
171.04478	1.7
171.11673	1.5
173.04494	0.7
173.13266	1.0
175.11220	3.9
175.14851	2.7
177.09085	0.8
177.12813	0.8
179.07033	1.0
179.10699	1.7
181.12387	0.6
185.13182	0.7
189.05522	0.7
189.12766	1.1
193.12215	1.0
203.17958	7.3
205.19501	0.7
213.16409	3.3
221.19077	2.1
223.14876	0.6
231.17450	10.2
241.15904	2.1
241.19539	1.2
249.18507	10.3
259.20648	3.3
273.09091	0.7
275.06992	0.6
277.17990	40.4
295.19165	3.2
319.09662	2.0
351.12231	2.5
351.21643	7.8
351.25424	2.9
369.11749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01626	0.7
55.01873	7.0
55.05512	6.2
57.03437	4.1
57.07068	1.5
67.05183	0.6
67.05508	9.4
69.03423	1.7
69.07071	5.7
71.04980	0.9
71.08622	1.3
79.05499	9.7
81.03391	0.5
81.07060	33.6
83.04973	2.8
83.08607	2.3
84.44283	0.4
85.06533	0.7
91.05492	6.2
93.07044	8.7
95.04956	1.3
95.08608	8.4
97.06516	1.1
97.10143	0.9
99.08102	0.5
99.76823	0.4
101.09648	0.6
105.07049	5.2
107.08599	6.7
109.05806	0.8
109.06522	13.2
109.10153	4.3
111.04444	15.2
111.08080	1.2
117.07013	1.5
119.04930	0.7
119.08598	5.5
120.08906	0.5
121.06520	0.5
121.10145	5.1
123.08090	2.0
123.11699	1.7
125.06018	3.6
125.09640	0.7
129.07050	0.6
131.08551	2.5
133.06432	0.6
133.10143	6.2
135.08063	2.0
135.11696	5.3
137.05981	100.0
137.13239	2.3
138.06404	0.4
139.07530	0.8
143.08580	1.5
145.05003	1.5
145.10181	2.7
147.04431	1.4
147.08051	1.7
147.11703	7.8
149.09634	3.7
149.13255	2.2
151.07568	3.3
151.11180	1.9
157.10168	1.8
159.11711	1.1
161.05940	0.8
161.09630	5.1
161.13290	3.8
163.11197	3.7
163.14902	0.8
165.09100	2.4
165.12801	0.8
167.10641	0.7
168.79550	0.4
171.11769	1.3
173.13277	1.3
175.11171	4.6
175.14845	1.5
177.12750	1.0
179.10648	2.3
179.14287	0.9
181.12245	0.7
185.13248	1.0
189.12715	1.5
193.12238	1.2
203.17961	6.2
205.19559	0.9
209.06200	0.4
213.16429	2.5
221.19020	1.9
223.14816	0.7
231.17458	10.4
241.15883	1.1
241.19632	0.7
249.18530	10.8
259.20560	1.8
277.18008	38.1
277.21323	2.4
295.19040	3.3
335.47485	0.5
351.12195	0.5
351.21695	6.8
351.25470	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73473	1.4
53.03938	4.4
55.01868	2.6
55.05515	17.0
57.03448	7.9
57.07072	3.1
65.03935	1.7
67.05511	44.7
67.05882	2.1
69.03455	9.0
69.06734	1.5
69.07081	17.2
70.02296	3.2
70.02686	2.5
71.05005	4.0
75.04474	1.6
79.05502	55.2
81.03422	4.6
81.06586	2.9
81.07068	47.9
82.07405	1.5
83.04990	4.2
83.08620	7.3
85.06552	4.2
89.04061	1.4
91.05492	74.2
92.05824	1.7
93.07053	68.4
95.04970	5.8
95.08617	34.0
97.02890	2.4
97.06529	2.8
97.10179	2.8
99.04472	2.4
99.08099	4.8
103.05507	1.4
105.04533	1.4
105.07042	64.8
107.04952	5.4
107.08607	38.0
109.02924	1.5
109.06549	3.0
109.10166	13.0
111.08071	1.9
113.09657	1.9
115.03934	1.4
117.07024	12.7
119.04970	2.6
119.08593	50.9
121.10152	30.2
123.11727	3.2
125.09602	1.9
127.03923	6.0
128.06219	1.4
129.07005	10.0
130.07793	1.5
131.08566	20.8
133.10149	48.2
135.08080	1.8
135.11702	30.6
137.05977	3.3
137.09647	2.5
142.26993	1.3
143.08577	10.4
145.04968	19.4
145.10126	20.9
146.31937	1.4
147.04431	8.3
147.11711	48.5
149.09637	3.1
149.13268	20.8
151.11226	1.7
157.10159	11.3
159.11694	17.3
161.06017	7.3
161.13278	36.0
161.14610	1.9
163.11180	2.9
163.14883	7.9
171.04442	3.3
171.11697	16.2
173.13263	11.6
175.11214	2.1
175.14842	19.9
177.12724	1.8
179.07056	3.7
179.14357	2.5
185.13280	16.1
187.14919	3.7
189.12703	2.0
189.16498	2.2
199.14780	7.5
203.14287	2.4
213.16408	5.8
215.18163	3.1
217.15892	1.4
217.19548	2.6
231.17516	3.9
231.21066	9.4
241.19550	32.7
244.28763	1.4
259.20605	100.0
273.09131	1.7
277.21640	6.9
281.09845	1.5
318.88556	1.6
319.10123	1.5
351.12167	2.9
351.25354	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.6
55.01863	7.9
55.05510	33.9
57.03162	2.7
57.03440	49.9
57.07084	3.0
57.63379	2.7
61.12567	2.4
62.49131	2.5
65.03932	4.4
65.45580	2.3
67.05508	91.7
69.03432	13.6
69.07072	33.7
69.60865	16.6
71.04980	10.0
71.08647	12.5
76.41515	2.6
79.05494	83.6
81.03400	9.2
81.07057	97.4
83.04967	8.0
83.08611	17.4
85.02899	5.1
85.06543	9.2
91.05486	86.4
93.07050	100.0
95.04952	12.0
95.08611	84.0
95.09075	1.7
97.06519	7.7
97.10170	8.4
99.04443	4.5
99.08097	16.6
103.05505	2.9
105.04520	3.3
105.07029	59.1
105.55055	2.7
107.04932	6.0
107.08600	67.1
109.06500	4.5
109.10147	33.2
111.08067	9.0
115.05479	2.5
117.07030	16.8
119.08597	49.6
121.10146	50.0
123.08047	6.3
123.11709	7.0
125.09662	6.7
127.03900	8.2
129.07022	8.2
131.08595	23.0
133.10143	44.2
135.08058	3.4
135.11690	37.7
137.09639	4.2
137.13257	5.6
143.08569	8.4
145.04948	23.2
145.10107	22.3
147.04439	16.1
147.08003	3.1
147.11703	43.8
149.09619	4.3
149.13289	25.4
151.11168	10.5
153.12694	3.4
155.10657	2.4
157.10156	8.5
159.11726	17.7
161.06007	4.5
161.13264	29.7
163.11208	7.2
163.14886	5.9
165.12762	6.1
171.11702	9.8
173.13225	8.5
175.11198	2.8
175.14847	11.3
177.16386	3.3
179.07112	4.4
179.14383	5.2
181.12318	3.6
185.13277	10.5
187.14822	11.2
189.12762	3.3
193.15961	2.6
199.14807	6.2
205.16013	7.1
210.97559	2.6
221.19092	6.7
231.21092	5.6
241.19504	18.3
259.20593	60.3
277.21585	39.6
284.38852	2.4
319.09695	6.5
333.24240	6.7
351.12299	14.3
351.25330	86.5
352.25345	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01871	9.7
55.05513	19.9
55.58090	1.0
57.03444	12.5
57.07076	2.6
65.03940	1.6
67.05508	32.1
69.03433	2.2
69.07076	18.4
69.31252	0.8
69.31528	9.2
71.04993	2.0
71.08638	8.2
79.05502	29.5
81.03438	2.5
81.07063	58.7
83.04980	6.0
83.08630	10.5
85.06547	1.6
91.05483	25.8
93.06483	2.0
93.07050	30.9
95.04983	3.3
95.08611	25.2
97.06535	8.1
97.10172	4.1
99.08109	6.7
105.04539	1.3
105.07040	20.3
107.04964	1.9
107.08598	21.6
108.93688	1.1
109.06528	15.3
109.10155	13.4
109.66051	1.0
111.04440	14.9
111.08072	2.5
117.07038	6.8
119.04961	7.4
119.05749	1.3
119.08585	18.7
121.10159	16.9
123.08095	3.0
123.11717	4.0
125.05999	4.7
125.09567	2.1
127.03886	1.7
129.07022	2.7
131.08580	7.6
133.10136	15.1
135.08034	2.5
135.11696	15.0
137.05986	100.0
137.09624	1.9
137.13293	2.7
138.06319	1.2
139.11168	1.6
143.08580	1.8
145.04971	4.0
145.10165	6.7
145.51701	1.0
147.04424	20.2
147.11703	19.6
149.09602	5.8
149.13274	9.5
151.07613	2.3
151.11168	4.9
153.09142	1.5
157.10149	3.3
159.11726	5.7
161.05994	1.1
161.09593	5.1
161.13260	8.2
163.11188	3.8
163.14870	2.8
164.71663	1.0
165.09081	1.8
165.12767	3.1
167.10672	1.3
171.11708	3.7
173.13216	2.4
175.11194	6.4
175.14847	3.1
177.12762	2.0
179.10645	2.4
179.14317	11.1
185.13315	3.4
189.12744	2.2
193.12189	1.9
199.14763	1.1
203.14108	1.2
203.17924	5.6
213.16386	3.8
221.15349	1.2
221.18996	2.7
231.17487	11.8
231.21046	2.0
239.51215	1.1
241.15845	1.8
241.19576	3.3
249.18501	11.3
259.20636	15.5
277.18018	41.8
277.21631	14.6
286.37552	1.2
295.19104	3.3
351.21616	4.8
351.25320	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.0
55.05306	2.2
55.05515	22.2
57.03429	10.6
61.36680	2.7
66.69860	2.4
67.05506	51.8
68.12036	2.6
69.07066	18.7
70.63629	8.4
71.04995	4.9
79.05493	72.9
79.63923	3.2
81.07059	62.0
83.08607	8.8
91.04906	4.4
91.05482	68.2
93.06492	5.5
93.07052	97.5
95.04959	6.3
95.08609	48.2
97.06525	5.5
97.10143	4.0
99.08082	5.4
105.07031	65.8
107.08604	62.0
109.06496	5.1
109.10182	16.3
117.07008	14.1
119.08587	54.1
121.10152	47.2
123.11697	4.4
128.06151	3.1
129.06979	9.4
131.08594	20.8
133.10144	55.3
135.11708	50.3
142.07732	2.8
143.08560	12.0
145.04968	3.5
145.10139	20.6
147.04424	4.5
147.11707	54.0
149.13269	32.7
157.10115	10.3
159.11705	23.0
161.13252	42.2
163.11201	4.5
163.14803	8.3
171.11723	13.9
173.13277	12.0
175.14857	17.6
177.12794	3.1
185.13322	15.8
187.14870	5.0
197.66626	2.7
199.14853	6.8
203.14291	3.1
213.16362	5.5
215.17990	3.6
231.21107	9.8
241.19505	37.3
259.20590	100.0
277.21671	13.8
319.09918	2.9
333.24194	9.8
351.25391	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.9
55.05519	16.3
57.03430	8.4
57.07077	3.2
65.03952	2.8
67.05180	3.1
67.05514	45.5
69.03447	2.1
69.07076	17.6
70.56342	4.2
70.56705	4.2
71.05009	3.8
75.04470	3.1
79.05501	61.7
81.06591	3.4
81.07063	59.1
83.04987	2.5
83.08630	8.5
85.06540	3.1
91.05492	62.3
93.07053	79.6
95.04986	5.1
95.08617	37.2
97.06545	4.0
98.69518	2.0
99.08083	4.4
103.05459	2.3
105.07036	59.8
107.07879	3.1
107.08605	42.0
109.06515	2.8
109.10145	18.1
111.08105	2.8
117.07013	13.5
119.04988	2.2
119.08594	58.0
121.10149	36.5
123.08008	2.3
123.11697	4.1
129.07050	10.1
131.08577	24.5
133.10136	52.1
135.11703	37.2
137.09627	2.7
143.08553	10.1
145.04878	2.9
145.10138	21.1
147.04367	4.9
147.11705	51.2
149.09590	4.4
149.13252	25.4
151.11217	3.1
157.10129	12.2
159.11690	21.9
161.09673	2.1
161.13272	40.1
163.11238	3.4
163.14836	7.5
171.11752	14.4
172.12274	2.1
173.00951	1.9
173.13316	13.5
175.11176	2.4
175.14853	13.9
177.12740	2.4
185.13223	13.2
187.14786	4.9
199.14908	10.0
203.14311	3.5
213.16501	4.2
231.21065	6.9
241.19524	32.8
259.20602	100.0
260.20972	2.6
261.22141	2.0
277.21631	3.6
319.09750	3.2
320.10397	2.9
333.24249	2.4
351.12488	2.5
351.18518	2.9
351.25357	53.6
370.32681	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01875	6.5
55.05516	37.5
56.50863	3.2
57.03438	34.6
57.07079	24.1
67.05511	82.1
69.07074	26.7
70.41113	11.7
71.04974	9.4
73.23793	3.0
77.35371	3.1
79.05496	74.8
81.07059	97.2
82.07404	3.5
83.04982	5.9
83.08618	17.7
85.06558	19.2
87.54514	3.4
91.05483	58.4
93.07047	100.0
95.04971	8.1
95.08611	72.1
97.06526	10.7
97.10152	4.7
98.21483	3.7
99.08103	6.1
105.07032	55.1
107.08604	54.0
109.06536	5.1
109.10174	25.8
111.85267	3.3
112.09952	4.1
113.09630	4.2
115.40712	3.9
117.07025	13.3
119.08589	41.3
121.10142	49.6
123.08083	3.8
123.11694	10.1
125.09624	5.1
128.06192	3.4
129.07021	8.4
131.08606	23.6
133.10127	49.2
135.08064	4.8
135.11714	44.9
137.09622	20.6
138.90625	3.2
143.08578	8.8
145.10106	23.9
147.11703	44.7
149.13286	29.3
151.11177	4.9
157.10155	14.2
159.11703	29.1
161.13251	25.0
163.11157	4.1
163.14821	8.4
165.12743	6.4
171.11723	11.7
173.13245	14.8
175.14818	13.6
177.12775	9.6
185.13275	10.8
187.14848	12.8
193.15907	4.0
199.14827	4.8
205.15865	4.9
223.14801	4.1
231.21037	4.8
241.19501	23.7
259.20581	68.7
269.39584	3.4
277.21634	28.5
333.24350	9.2
351.25317	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.6
55.01869	3.4
55.05271	1.9
55.05515	21.8
57.03442	10.0
57.07066	7.0
60.58803	1.7
65.03952	2.1
66.00403	2.1
67.05506	54.9
69.03423	10.7
69.07076	20.6
69.66981	11.2
71.04994	4.6
71.08649	3.2
73.16133	1.8
75.04479	1.9
79.05497	75.3
81.03412	7.1
81.07066	67.5
83.04967	3.1
83.08601	9.8
85.02892	2.4
85.06540	5.0
91.05482	67.2
93.07051	100.0
95.04977	4.5
95.08066	3.6
95.08615	40.6
97.06537	5.0
97.10164	5.3
99.08111	2.9
105.07032	58.2
107.04956	2.8
107.08602	57.6
109.06477	4.0
109.10180	19.1
115.05470	2.4
117.07024	10.8
119.08585	54.7
121.10142	41.2
123.08115	2.4
123.11720	3.9
127.03943	4.1
129.07004	8.9
131.08578	20.3
133.06485	1.9
133.10135	49.3
135.08038	2.3
135.11707	40.2
143.08560	9.6
145.04984	24.3
145.10123	25.8
147.04413	8.2
147.11703	46.1
149.13274	25.1
151.11224	2.7
157.10127	11.2
159.11717	20.3
161.05971	5.4
161.13264	39.3
163.11183	2.6
163.14847	6.6
171.04401	3.1
171.11688	12.4
173.13322	13.3
175.14804	21.1
177.12825	3.6
179.07059	2.1
179.14342	4.2
185.13264	15.0
187.14857	4.5
199.14847	8.3
201.16389	2.2
203.14452	2.7
213.16411	4.9
217.19537	6.5
220.10748	2.4
231.17453	3.7
231.21194	9.4
241.19525	37.5
259.20584	97.7
260.21011	2.8
277.21634	24.4
293.64096	2.2
308.13931	2.1
333.24237	9.0
351.12329	2.4
351.25330	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
53.95300	0.5
55.01869	7.3
55.05273	0.9
55.05512	11.8
57.01283	0.5
57.03189	0.6
57.03441	7.4
57.07071	1.0
57.71177	0.5
65.03937	0.9
67.05506	23.5
67.05875	1.1
69.03418	2.1
69.07067	13.9
69.24667	0.6
69.24989	5.1
71.04982	1.0
71.06509	0.5
71.08626	0.8
79.05491	21.3
81.03428	0.8
81.07056	49.7
83.04984	3.8
83.08627	6.1
85.06537	2.2
86.05096	0.5
91.05479	16.5
91.06025	1.1
93.07043	24.9
93.14308	0.5
93.45178	0.5
95.04970	1.4
95.08609	19.0
97.06551	3.5
97.10177	3.1
99.08075	1.0
105.04502	0.6
105.07030	11.8
107.08594	15.2
109.06516	12.8
109.10160	9.3
111.04436	14.2
111.08063	1.9
113.06004	0.7
115.05497	0.7
117.07045	2.7
119.04969	1.0
119.08579	15.3
121.06538	0.9
121.10146	15.0
123.08054	1.8
123.11701	4.5
125.05990	4.5
125.09621	2.6
127.03897	0.8
128.06259	0.7
129.06990	2.0
131.08583	5.0
133.06503	0.5
133.10135	11.6
135.08070	3.4
135.11697	13.0
137.05977	100.0
137.09618	1.6
137.13239	2.3
138.06326	1.3
139.07578	0.8
143.08521	3.0
145.04958	2.2
145.10130	5.3
147.04420	3.2
147.08040	2.0
147.11687	14.6
149.09610	3.4
149.13260	7.6
151.07538	2.9
151.11166	2.9
153.01791	0.9
153.12674	0.6
157.10141	3.2
159.11687	4.4
161.05920	0.5
161.09628	5.5
161.13251	8.6
163.11208	4.2
163.14824	2.3
165.09169	1.5
165.12769	2.2
171.11653	3.0
173.13301	2.6
175.11194	4.6
175.14835	4.8
177.09108	0.8
177.12816	1.2
177.16443	0.9
179.10703	2.2
179.14381	0.9
181.12193	1.1
185.13275	2.8
187.14848	0.9
189.11140	1.0
189.12766	1.7
193.12233	1.8
195.11670	0.6
199.14890	1.0
203.14542	1.1
203.17973	7.3
205.19547	1.2
207.13885	1.1
213.16422	3.5
221.15462	0.7
221.19029	1.9
223.14725	1.1
231.17447	10.3
231.21094	1.9
241.15807	1.4
241.19513	4.7
249.18501	11.2
259.17719	0.6
259.20584	14.4
277.18015	39.5
277.21536	6.0
278.18256	0.6
295.19022	3.7
333.16922	0.8
333.24277	1.5
349.95062	0.6
351.12064	0.9
351.21552	6.7
351.25339	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56699	2.3
53.03944	5.5
55.01855	6.0
55.05516	24.5
57.03438	26.6
57.07073	11.6
65.03923	3.1
67.05510	81.2
69.07076	26.2
69.89855	11.5
71.04993	5.1
71.08636	55.0
79.05069	5.2
79.05498	62.9
81.03416	10.3
81.07059	84.1
83.04971	13.3
83.08614	13.0
85.06538	8.1
88.51042	2.2
91.05486	48.5
93.07050	84.7
95.04976	13.8
95.08614	56.6
97.06545	14.2
97.10170	3.8
98.20802	3.1
98.60417	2.3
99.08098	36.3
104.39722	2.4
105.07035	36.2
107.04963	9.8
107.08607	48.4
109.06517	9.1
109.10157	23.7
111.08076	9.0
113.09652	5.2
117.07021	8.0
119.08587	38.8
121.06513	2.9
121.10148	35.0
123.08044	6.1
123.11704	7.1
129.07062	4.7
131.08578	13.2
133.10130	22.8
135.11693	49.4
137.06041	4.0
137.09628	6.2
137.13290	4.4
139.11176	2.8
141.09100	4.3
143.08603	6.0
145.10138	8.1
147.11653	21.4
149.13274	21.1
151.11171	22.3
159.11732	9.4
161.13274	19.6
163.11212	7.9
163.14853	5.1
165.28470	2.8
167.10718	2.5
171.11795	5.1
173.13290	6.4
175.14822	6.8
177.12766	6.9
179.14320	100.0
185.13361	3.5
195.13838	3.8
196.87997	2.7
199.14882	3.2
221.15375	5.2
231.21121	5.1
235.16914	5.3
241.19603	9.5
259.20538	21.6
277.21640	48.3
296.98846	2.9
351.25323	60.3
352.25375	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.6
55.01879	3.6
55.05513	19.0
57.03429	12.9
57.07084	3.5
65.03938	4.0
67.05185	4.5
67.05511	53.4
69.03423	13.3
69.07082	18.3
71.04977	3.2
79.05496	72.1
81.03413	6.0
81.07056	69.1
83.04967	4.7
83.08610	10.6
85.06550	4.5
86.79787	3.0
91.05482	81.9
93.07047	100.0
95.04964	4.6
95.08606	52.8
97.06553	4.4
97.10203	3.5
99.08078	6.0
104.87728	2.7
105.04491	3.7
105.07043	63.6
107.08594	62.3
109.02908	4.6
109.10168	13.7
113.09682	3.7
117.07037	15.7
119.04952	8.8
119.07792	5.7
119.08582	57.3
121.10155	51.2
123.08023	4.0
123.11728	5.1
127.03902	11.6
129.06976	9.1
129.07918	3.2
130.07697	3.3
131.08577	27.4
133.10146	56.4
135.11690	44.6
143.08562	9.2
145.04990	20.0
145.10124	31.3
147.04404	34.5
147.11681	51.3
149.09689	4.1
149.13286	32.0
157.10141	9.7
159.11653	24.8
161.06021	8.7
161.09645	3.7
161.13258	39.2
163.11206	4.0
163.14806	10.3
171.04416	7.0
171.11746	16.0
171.13034	3.2
173.13298	15.3
175.11099	3.7
175.14833	21.4
185.13312	16.1
199.14861	9.0
213.16348	4.2
221.15450	3.5
231.21095	11.0
241.19533	37.3
259.20590	93.9
260.20956	4.1
276.07431	3.7
277.21677	14.6
333.24368	11.8
351.12177	12.3
351.25317	71.0
352.25485	3.9
369.57059	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	351.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87378	5.2
53.03936	9.1
55.01883	5.4
55.05516	28.6
57.07070	10.1
61.16718	5.5
65.03947	7.7
67.05502	48.8
69.03434	6.4
69.07072	61.2
69.60536	39.1
71.04991	10.2
79.05487	41.2
81.07065	72.0
83.05004	5.3
83.08620	22.9
91.05494	42.6
93.07053	78.7
95.04978	23.1
95.08624	79.5
97.06525	16.1
97.10157	6.4
98.24105	5.1
103.05453	7.0
103.61983	5.0
105.07034	100.0
105.24778	5.0
107.08613	60.1
109.06537	10.1
109.10161	62.3
114.50857	5.7
117.06999	18.6
119.08584	99.4
121.06482	10.2
121.10143	59.4
123.11710	21.5
128.06238	10.0
129.07004	11.5
130.07756	8.3
131.08589	37.5
133.10143	58.5
135.08041	17.2
135.11688	15.2
137.06021	9.9
137.09589	9.7
137.13245	6.9
142.07791	10.1
143.08562	36.1
144.09338	6.1
145.10129	48.3
146.07234	7.9
147.07988	6.3
147.11713	30.7
149.09624	13.5
149.13248	12.7
155.08580	9.7
156.09346	10.7
157.10114	41.7
159.11673	34.4
161.09662	45.5
161.13237	20.3
169.10150	17.7
171.11691	30.9
173.13248	18.3
175.11220	6.7
175.14822	16.2
177.16470	21.5
183.11722	6.2
185.13310	19.7
187.14809	11.1
189.16362	9.0
197.13284	14.6
199.14859	14.8
201.16304	8.4
209.13235	10.2
211.14874	7.4
213.16356	7.2
227.14381	5.5
236.09187	6.6
243.20917	7.1
255.21019	12.9
259.20782	5.3
265.09924	6.4
267.21149	7.0
313.95190	5.4
351.16925	10.1
351.26614	27.1
351.30640	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	351.2895
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
54.08133	0.4
55.01859	0.8
55.05518	11.5
56.05863	0.4
57.03435	0.4
57.07079	5.0
59.04990	0.5
65.03943	0.6
67.05188	0.6
67.05510	8.6
68.09355	0.4
69.03426	0.8
69.07075	12.7
70.07418	0.3
71.04984	1.5
71.08636	3.8
71.11766	0.5
71.12075	0.6
73.06545	0.7
79.05495	5.2
80.52173	0.4
81.07065	14.6
83.04961	1.2
83.08144	0.6
83.08620	6.5
85.06555	2.2
88.11283	2.2
89.11593	0.6
91.05480	2.7
93.07047	10.3
95.04945	1.1
95.08610	14.4
96.08978	0.4
97.06522	2.9
97.10172	1.9
99.08075	0.9
105.07040	3.6
107.08597	14.0
109.06540	3.0
109.10154	6.7
111.08081	3.1
111.11720	0.6
117.07045	0.4
119.08588	5.5
121.10155	7.0
123.08097	4.7
123.11718	2.3
124.08357	0.5
125.09650	0.9
131.08545	0.5
133.10135	2.6
135.11696	3.3
137.06012	0.5
137.09622	0.8
137.13240	1.1
139.11198	0.7
143.08589	0.5
145.10097	1.3
147.11685	1.6
149.13237	2.5
151.11177	0.6
151.14835	0.5
157.10078	0.6
159.11720	0.8
161.13292	0.9
163.14836	2.2
165.12750	0.6
165.16367	0.6
167.14380	3.7
171.11789	0.6
175.14868	0.9
177.16394	1.0
179.14339	4.5
180.14630	1.5
181.15887	1.3
187.14883	0.6
193.15831	0.8
221.19035	1.0
263.20065	0.8
277.21762	1.1
281.21112	0.9
305.28394	1.8
333.27914	12.3
334.28073	0.6
351.17093	1.5
351.28946	100.0
352.29318	2.8
361.30862	0.4
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	Unknow
Peak:m/z	Relative Intensity
53.03968	0.4
53.10492	0.4
55.01866	0.5
57.03434	0.4
61.02929	0.5
65.03935	1.3
67.05181	0.6
67.05509	7.6
69.03424	0.9
70.06603	3.1
71.04996	0.7
71.50980	0.5
82.06576	0.5
84.08153	1.1
85.02888	2.7
85.06530	0.9
86.09716	2.4
91.05495	2.2
93.07064	0.4
95.04972	10.9
97.02906	0.7
99.04459	0.4
103.05509	0.4
105.06980	0.5
107.04962	0.6
109.02859	0.5
113.06026	3.7
120.08095	0.9
121.02893	5.0
122.03230	2.5
127.03901	0.6
127.07574	0.8
129.10229	0.4
141.05470	100.0
142.05827	1.4
145.04921	0.9
147.04390	0.8
155.07045	11.8
159.06595	2.1
161.06032	0.7
167.07100	0.7
173.08104	7.9
180.08693	0.7
182.08217	0.8
190.08670	0.9
191.06985	0.6
203.03307	0.8
204.03758	1.2
231.02890	5.3
232.03250	8.1
249.03929	0.9
250.04346	2.0
287.90002	0.5
321.11621	0.6
352.09015	4.4
352.13110	0.8
352.18726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0847
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
56.11963	0.7
69.03447	0.8
70.06598	1.0
71.49809	0.7
71.50179	1.0
72.08144	1.3
81.07055	1.0
84.04473	0.9
84.08127	1.0
86.09687	0.8
91.05477	1.6
109.02879	0.9
119.04932	2.8
120.08135	1.7
144.08098	2.8
147.04428	8.9
162.77666	0.7
173.72536	0.8
177.05417	1.2
185.04254	7.0
190.02393	2.2
191.03188	5.5
217.04903	1.2
249.07457	1.2
250.07356	1.2
259.16885	0.8
292.24008	0.8
307.09366	1.1
353.08441	100.0
354.08710	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0847
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
55.26821	1.8
63.74172	2.4
63.83159	1.9
69.03449	4.9
71.50401	4.3
85.02905	8.8
99.62318	2.0
110.04955	2.1
112.89600	4.8
116.71491	1.9
127.03892	3.9
143.01921	7.0
144.48183	2.2
145.04965	3.5
145.51402	2.2
155.01895	2.7
183.04994	2.4
185.02937	3.9
212.95633	3.3
218.90887	2.3
220.88181	2.1
245.05101	7.8
263.06006	3.7
318.56021	2.3
352.98941	3.5
353.08463	100.0
361.01501	2.5
365.09607	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	353.1388
Annotation	Bolucarpan D
Peak:m/z	Relative Intensity
67.05482	7.0
69.03431	6.8
70.06571	11.0
71.50737	5.2
75.16534	5.6
78.04708	4.8
79.05467	19.8
79.98650	4.4
81.07047	4.8
84.08142	10.1
85.02891	5.8
86.09751	4.8
89.96600	5.1
91.05477	16.9
93.94784	4.2
95.04898	4.7
97.02895	6.2
100.11232	5.1
103.05455	12.5
105.06991	10.8
107.04968	38.9
118.04140	8.8
119.04921	8.6
120.08101	4.4
121.02862	15.3
121.06520	6.9
123.04441	7.1
124.05193	5.7
128.06224	5.8
131.04918	19.2
133.10132	4.8
134.83307	4.5
137.05930	9.4
144.08089	22.0
145.06529	4.8
152.04645	6.3
160.05125	5.5
161.05977	12.2
167.07031	100.0
176.04747	8.3
189.07108	5.8
190.07829	7.6
191.03412	6.0
191.07056	88.4
191.08594	3.3
199.07562	25.6
203.08545	10.6
205.10143	5.4
212.94019	4.6
215.08580	12.9
218.07246	24.2
219.07928	7.6
231.08086	12.1
232.08710	7.8
233.09613	28.4
235.07614	11.8
243.08044	6.8
246.06665	16.0
247.07564	10.5
257.05927	5.7
260.08304	15.7
261.09119	51.3
263.07056	7.1
274.06158	6.6
275.07053	8.5
277.08536	11.9
278.09357	17.3
289.08600	56.8
290.09280	12.5
293.11801	19.1
297.07571	17.2
305.07874	6.8
306.08823	14.2
307.09702	9.8
321.11255	75.3
322.12006	10.2
325.07086	41.8
325.14325	10.4
335.12674	6.5
338.11517	9.6
353.06671	52.2
353.13776	92.1
353.28998	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	353.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51793	0.3
55.05509	0.3
56.05037	2.8
59.43972	0.3
60.04523	0.3
62.24363	0.3
67.05505	1.5
69.03416	0.6
70.06583	1.6
71.35499	0.5
71.66135	0.3
72.08165	0.7
74.02433	0.4
81.07041	0.3
82.06565	0.7
84.04525	3.1
84.08146	100.0
85.02898	0.5
85.06552	1.5
85.08481	0.6
86.09713	1.5
91.05482	18.2
100.07639	0.5
102.05560	0.5
102.09184	0.4
107.04987	0.4
107.20791	0.3
110.07181	0.5
111.09193	1.8
112.07597	3.0
115.05471	0.9
117.07008	4.9
119.04940	0.6
120.08097	0.5
127.08675	0.9
129.10239	1.8
130.05016	3.0
130.08640	21.6
133.06546	0.6
139.41711	0.4
144.08115	1.2
145.06519	2.6
147.04388	0.7
147.07657	0.5
147.11288	11.0
149.02069	1.8
157.09734	11.5
161.05989	3.6
171.04391	3.9
178.08517	0.5
179.07057	1.2
207.41006	0.3
224.09158	0.4
226.12173	1.5
227.05289	0.7
228.13814	1.1
230.11827	0.7
243.14894	0.5
253.13394	0.7
271.14349	0.6
272.12805	7.4
289.15494	2.9
290.10764	0.6
290.13849	5.2
307.16507	5.0
335.16101	2.4
353.08463	9.3
353.17072	16.1
354.08557	0.4
375.64496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01853	2.4
55.05506	11.8
56.49133	2.3
57.03425	5.8
57.07072	5.3
62.91308	2.3
63.75521	1.9
67.05506	83.2
69.07065	12.7
70.89169	5.3
79.05074	3.4
79.05497	48.1
81.07055	90.4
83.08607	7.3
91.05479	26.0
93.07048	47.3
95.04994	2.5
95.08612	69.1
97.06539	3.0
97.10189	3.4
103.05460	8.3
105.07040	20.4
107.04932	9.4
107.08590	32.5
109.10160	38.0
113.09639	2.3
113.77218	2.6
115.05421	3.5
117.06995	9.6
118.04149	6.0
119.08585	14.4
121.10153	25.5
123.08055	2.9
123.11709	19.5
123.48328	2.0
129.06993	2.3
130.04102	3.2
131.04898	15.2
131.08582	16.8
133.10088	9.4
135.11702	23.2
137.06039	2.6
137.13242	8.0
138.83582	2.5
141.06985	2.7
144.08086	23.6
145.10146	12.5
147.04425	3.3
147.11641	9.4
148.05144	2.2
149.13268	15.2
155.06076	2.5
159.11679	13.4
161.06033	5.0
161.13246	7.6
163.14815	11.0
167.07027	16.6
171.08093	3.6
173.05946	2.7
173.13235	13.2
176.04680	8.1
177.05406	3.0
179.08578	2.6
187.07500	3.4
187.14757	5.2
189.06973	6.2
190.07745	8.5
191.07034	55.7
191.08543	2.7
199.07565	8.7
201.16489	2.4
202.07729	6.6
203.08548	10.8
205.10172	2.6
207.08084	4.5
215.08577	15.4
218.07288	18.8
219.08060	9.2
221.09471	3.4
229.06491	9.0
231.08032	10.1
232.08812	7.0
233.09631	29.0
233.22614	3.0
235.07494	8.2
242.07228	3.3
243.07956	6.1
243.21141	18.9
245.06073	3.0
246.06755	16.0
247.07529	8.7
249.09103	5.2
250.09995	3.5
257.05948	6.1
259.07568	5.0
260.08401	12.0
261.09088	33.5
261.19421	4.2
261.22156	70.8
262.09796	4.9
263.07034	13.1
263.23807	2.7
273.09036	5.2
274.06290	11.6
275.06985	12.0
275.10501	3.1
276.07715	4.0
277.08615	10.0
278.09369	14.6
279.23163	5.5
289.08597	68.4
290.09253	15.6
291.06522	5.9
291.09952	4.6
292.07257	2.8
293.11713	10.9
306.08783	17.6
307.09598	6.9
321.11206	100.0
322.11783	8.3
323.09082	6.0
335.25821	7.7
338.11441	4.5
352.98022	11.2
353.09903	3.2
353.13977	60.2
353.18387	8.6
353.27225	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	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77456	1.9
53.03946	4.9
55.05522	13.9
57.03425	4.1
57.07066	3.0
65.03946	1.9
67.05510	83.6
69.07071	11.1
71.04980	2.8
79.05502	43.2
81.06592	4.3
81.07059	82.7
83.04959	2.2
83.08627	7.1
85.06598	3.1
91.05486	26.9
93.07050	60.6
95.04977	3.3
95.08613	57.2
97.06522	2.6
97.10189	3.9
99.08099	2.7
101.85255	2.5
105.07015	17.4
107.08602	40.6
109.10163	39.0
111.08048	3.7
111.95806	1.9
117.07032	8.8
119.08575	11.9
121.10155	34.9
123.11724	21.6
131.08577	21.4
133.10129	14.9
135.11703	30.1
137.13257	10.1
145.10159	13.8
147.11691	9.4
147.31477	1.9
149.13271	19.8
151.11124	2.1
151.14865	2.1
159.11703	12.1
161.13213	7.0
163.14830	13.5
173.13255	16.7
175.14857	4.4
177.16386	3.7
187.14864	10.0
201.16441	3.0
209.15181	2.0
213.49168	2.1
219.17641	2.1
229.86954	2.1
233.22716	6.5
243.21083	21.2
261.22150	100.0
272.66650	2.0
279.23401	2.4
310.81372	2.2
335.25705	5.2
353.26993	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03947	4.1
55.05512	14.8
57.03432	5.7
57.07079	4.1
65.03946	3.3
67.05508	92.2
69.07072	11.5
69.97387	2.6
69.97785	3.7
79.05494	44.0
81.07057	100.0
83.08636	7.0
84.91005	1.6
85.06533	1.7
88.42175	1.6
91.05473	18.9
93.07049	55.5
95.08610	80.3
97.06553	4.5
97.10210	2.3
99.08070	2.7
105.07030	13.8
107.08604	35.0
107.09313	2.5
109.06527	1.5
109.10159	35.6
111.08081	1.9
117.07005	8.3
119.08591	15.0
121.10148	31.5
123.11706	18.3
131.08560	20.6
133.10136	10.6
135.11703	26.1
137.13266	8.9
139.11153	1.4
145.10144	14.6
147.11710	10.9
149.13260	16.3
151.14867	3.0
153.12817	1.9
159.11707	10.6
161.13240	8.9
163.14819	10.6
165.12784	2.1
173.13217	13.4
175.14842	4.2
177.16426	4.0
187.14807	6.4
201.16391	2.8
233.22739	3.5
243.21104	20.2
261.22128	73.9
279.23257	6.0
335.25854	10.3
353.26889	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
54.50290	2.7
54.60410	2.6
55.05526	17.0
57.03433	6.2
57.07078	4.6
65.03963	2.6
66.19626	2.7
67.05510	99.7
69.07064	16.9
69.58561	15.8
71.04987	3.6
79.05495	38.4
81.07063	98.3
83.08608	6.5
87.41216	2.7
91.05482	19.2
93.07052	56.7
95.08613	79.1
97.06561	4.8
105.07043	12.0
107.08606	38.7
109.10170	42.0
116.05344	2.7
117.07022	10.1
119.08581	17.3
121.10137	34.2
123.11727	28.5
125.09622	3.9
131.08566	22.9
133.10123	13.7
135.11693	28.1
137.13284	14.5
144.08124	5.2
145.10139	17.2
147.11691	8.5
149.13271	25.3
151.11203	2.7
151.14822	5.7
159.11696	16.4
161.13295	9.2
163.14851	12.2
173.13260	15.6
175.14844	4.3
177.16431	5.9
187.14877	5.9
243.21123	19.0
261.22162	100.0
279.23260	7.8
335.25864	10.9
353.18604	3.1
353.26904	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.7
55.05517	12.2
57.03424	2.8
57.07063	3.5
62.81800	1.5
63.22038	1.5
65.03930	3.2
67.05507	81.1
69.07065	12.0
71.04983	4.7
71.08620	2.4
71.29237	1.6
75.04467	1.9
79.05070	2.8
79.05496	39.6
81.07061	80.6
83.08603	9.9
85.06534	2.1
91.05489	16.2
93.07050	49.2
94.53135	1.7
95.08611	62.5
97.06540	2.6
97.10120	3.2
99.08087	2.1
105.07019	19.4
107.08601	35.9
109.10168	33.3
111.75967	1.7
113.09654	2.7
117.07008	4.7
119.08590	14.3
121.10146	29.9
123.11702	19.0
125.09608	3.0
131.08575	20.0
133.10138	13.2
135.11708	28.9
137.13242	7.8
145.10127	15.8
147.11703	12.2
149.13257	19.0
151.14822	2.5
159.11700	14.0
161.13312	11.9
163.14839	14.5
173.13278	19.5
175.14816	5.1
177.16345	2.7
179.14229	2.3
187.14879	13.8
201.16357	3.7
228.99388	2.2
233.22592	4.7
243.21080	22.7
245.03575	1.7
261.22153	100.0
263.23477	2.4
279.23276	3.6
323.46094	2.0
335.25772	6.7
345.64752	1.7
353.26898	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.01647	1.7
53.03933	3.6
55.01878	1.9
55.05514	14.9
57.03436	5.5
57.07070	3.3
65.03951	3.9
67.05507	100.0
69.07069	11.8
71.02750	3.4
71.03091	2.3
75.04459	1.9
79.05499	38.8
81.07062	97.6
83.08627	6.5
85.06535	4.5
91.05486	17.5
93.07053	51.7
95.04961	2.3
95.08611	70.8
97.06564	1.9
97.10162	2.5
99.08088	1.9
105.07042	16.2
107.08601	31.6
109.10160	32.7
109.47456	1.6
117.07001	8.7
119.08600	13.8
121.10150	27.1
123.11720	23.0
131.08603	19.1
133.10114	12.4
135.11711	24.2
137.09663	3.1
137.13298	8.0
145.10124	12.8
147.11664	8.0
149.13289	16.9
151.14839	1.8
159.11707	14.8
161.13242	9.2
163.14821	13.8
173.13284	13.8
175.14841	3.9
177.16425	2.5
179.14465	1.9
187.14807	9.0
191.14352	2.1
233.22760	3.5
243.21118	17.9
261.22153	80.3
267.68338	1.7
279.23260	5.7
335.25772	8.7
353.26846	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03939	5.2
55.05511	11.8
57.03429	3.9
57.07059	8.1
65.03938	3.2
67.05506	86.5
69.07066	12.9
70.72408	6.0
71.04995	2.2
71.08621	2.2
79.05489	34.2
81.07053	100.0
83.08606	7.6
84.26057	2.1
85.06561	4.2
86.66622	2.2
91.05475	17.4
93.06475	4.1
93.07043	50.3
95.08603	77.2
97.06533	3.6
97.10181	4.8
105.07029	15.3
105.86590	2.0
106.32584	2.3
107.08598	38.3
109.10155	37.9
117.07037	9.8
119.08578	13.2
121.10142	31.8
123.11694	17.6
129.50879	2.3
130.73653	2.0
131.08572	15.8
133.10156	10.7
135.11693	26.5
137.09579	1.9
137.13248	8.9
144.08081	6.1
145.10078	12.9
147.11676	10.7
149.13264	16.2
151.11211	2.4
159.11693	16.4
161.13268	8.5
163.11060	2.2
163.14848	11.3
165.12755	2.0
166.73781	2.2
173.09778	2.1
173.13242	13.9
175.14799	2.7
177.16438	4.2
184.77754	2.0
187.14824	7.2
201.16327	3.0
243.21092	18.9
261.22137	79.8
263.60837	2.2
279.23083	5.7
320.98886	2.1
335.25900	12.2
353.14661	2.3
353.26852	16.7
360.89215	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1186
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
51.02381	0.3
53.03925	0.5
55.01863	0.3
57.03424	0.6
63.02357	0.3
67.05490	0.7
68.87498	0.3
69.03445	2.4
70.06575	1.3
70.19154	1.0
72.08138	0.4
73.02920	0.5
75.39312	0.3
77.03919	0.4
81.03407	1.1
84.08122	1.3
85.02512	0.3
85.02917	3.0
86.09708	1.8
87.04465	0.3
91.05482	2.7
94.06573	5.0
95.04979	0.6
97.02916	0.7
100.10098	0.3
105.03400	0.3
109.02822	0.4
110.07153	0.4
117.05738	0.7
118.06546	7.0
119.04961	0.4
120.08047	0.4
122.06040	4.9
127.03912	0.7
129.10197	0.6
133.05070	0.3
134.05991	0.8
136.07567	0.6
142.45135	0.3
145.05061	0.5
146.06010	18.6
147.04427	0.6
147.05582	0.3
147.06784	0.9
148.07562	0.4
150.05510	0.9
155.15251	0.3
162.05508	1.1
163.06219	0.3
164.07080	6.4
174.05511	100.0
175.05942	1.2
176.07095	0.7
192.06558	53.8
193.06934	0.4
205.04984	0.7
217.04979	0.3
223.06001	0.3
224.80830	0.4
235.05949	0.5
336.10754	1.3
354.11850	40.5
355.12067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	0.8
62.06092	0.7
67.97207	0.6
69.03437	0.8
70.06596	2.7
71.06271	0.8
71.06618	0.9
72.08143	0.9
72.93793	0.7
73.04766	4.3
74.00666	1.3
81.03411	0.9
84.04484	0.9
84.08167	2.8
84.18542	0.7
85.02898	2.0
86.09686	0.9
86.41721	0.5
91.05811	7.2
97.02923	1.4
98.97607	1.3
103.05462	0.7
107.04969	2.5
110.07150	1.5
119.05010	0.6
120.08095	1.1
121.02887	0.8
121.16689	0.6
127.03915	0.6
129.10257	0.9
130.05058	0.7
131.04915	0.8
137.05952	0.6
150.05298	1.7
158.97391	1.4
176.93776	0.6
177.01625	1.4
177.03204	0.6
185.04248	2.8
192.03952	14.1
193.04732	8.0
201.00800	0.6
214.03091	0.6
217.01585	0.6
219.01869	0.7
221.12985	0.5
222.13293	0.8
234.99001	2.2
268.97751	1.5
277.89096	0.6
285.00998	3.3
319.04724	1.5
323.07266	0.8
324.08185	4.0
325.09073	1.6
355.10052	100.0
356.10391	2.4
371.19858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1028
Annotation	Biflorin
Peak:m/z	Relative Intensity
51.46429	1.1
53.03938	1.7
53.84385	1.1
55.01865	6.0
57.03429	4.2
61.02925	2.7
63.53223	1.3
65.23483	1.2
67.01865	2.5
68.99778	2.0
69.03409	2.3
69.07050	2.1
70.06595	7.8
71.50543	1.8
72.08144	4.0
73.02901	1.8
73.04760	2.7
79.05515	1.3
81.03419	6.5
83.01307	1.4
83.06061	1.1
84.04489	3.6
84.08158	9.1
85.02917	14.7
86.09698	5.3
89.71259	1.1
91.05412	1.7
91.05832	2.1
93.03437	5.9
97.02885	5.5
98.06069	1.1
103.03921	5.0
103.05479	2.3
105.03400	2.7
105.07038	3.7
107.01305	1.4
107.04955	5.1
109.02885	11.8
110.07196	2.0
111.04501	1.2
115.05434	3.2
117.07050	1.6
119.04939	4.3
121.02891	13.4
121.06477	2.3
123.04437	6.2
127.03936	2.3
128.06236	1.7
129.07018	3.4
129.10249	4.2
131.04906	5.4
133.02861	1.5
133.06482	4.6
135.04384	7.1
137.05992	2.0
138.99403	1.2
139.03918	2.9
141.03137	1.3
141.07002	1.5
143.04948	1.6
145.06464	2.5
147.04428	9.3
147.06310	2.3
147.08098	1.3
149.02296	2.0
149.06023	3.2
151.03894	4.6
153.01833	1.3
157.06491	3.7
159.04466	8.9
161.02283	1.6
161.06015	12.8
163.03891	9.6
165.05486	6.5
169.04958	1.7
169.06479	2.0
171.04471	12.4
173.02354	1.9
173.05963	2.9
174.05484	5.1
175.03903	19.3
175.05840	10.2
175.07547	10.2
177.05450	15.5
178.06253	5.0
179.03369	3.8
181.04980	6.8
181.06476	2.2
185.06000	9.7
187.03926	12.6
189.05463	16.0
191.03308	2.7
191.07095	1.4
192.06560	3.4
193.05032	15.2
193.06891	3.2
193.08606	27.3
195.06520	1.4
196.29811	1.1
197.05887	1.9
199.03886	3.5
199.07574	2.3
201.05458	7.3
203.03427	6.8
203.07080	8.5
205.04974	83.2
206.05731	19.8
207.06497	4.4
209.05983	1.6
211.04211	2.2
211.06013	10.3
213.05508	14.6
215.03366	1.3
215.07001	1.8
217.04991	38.7
219.02936	3.0
219.06563	10.6
221.04480	18.9
223.06026	61.8
225.05457	2.7
227.07021	4.8
229.04999	14.5
230.05702	4.5
231.06552	25.1
233.04457	5.2
235.06029	70.6
237.05573	2.8
241.05045	7.3
243.02960	1.6
243.06450	3.9
245.04355	2.1
245.08113	15.7
247.06052	15.2
249.07613	11.7
253.04964	4.3
254.05812	1.3
255.06541	7.1
257.04474	2.9
259.06042	61.9
260.06421	1.5
261.03839	1.8
261.07578	1.7
265.07166	3.0
271.06018	13.3
273.07657	10.5
277.07104	83.9
278.07358	2.0
283.06076	11.2
285.00897	3.1
289.07095	100.0
290.07309	2.4
291.08710	2.9
301.07083	55.2
302.07227	1.7
307.08060	6.1
319.05103	2.0
319.08170	39.3
337.09402	31.0
355.10593	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	355.1028
Annotation	Isobiflorin
Peak:m/z	Relative Intensity
52.54488	1.5
53.03959	1.6
55.01868	5.4
57.03430	3.4
66.39861	1.7
69.03423	1.9
69.07037	1.5
70.06590	7.5
71.08013	3.9
72.08144	6.1
73.04740	4.3
79.01868	2.3
81.03408	5.4
84.04497	4.0
84.08146	10.1
85.02907	10.5
86.09703	5.5
91.05443	3.3
93.03400	3.0
95.01307	1.7
95.04987	3.4
97.02870	2.4
103.03928	3.1
105.03443	1.5
105.07042	2.0
107.04955	5.1
108.38872	1.8
109.02876	6.6
110.07158	5.3
111.04467	1.5
115.05484	2.2
119.04921	4.8
121.02877	9.3
121.06473	3.0
123.04431	4.9
127.03922	1.5
129.07011	4.6
129.10243	4.4
130.04974	2.3
131.04926	3.4
131.44533	1.5
133.02824	1.5
133.06506	2.8
135.04411	6.7
137.05891	2.5
147.04434	10.0
149.05997	3.6
151.03928	6.8
157.06522	2.4
159.04356	3.6
161.02304	2.4
161.05994	5.0
163.03958	8.2
165.01976	1.5
165.05467	7.0
169.06400	1.8
171.04408	8.4
173.05954	3.0
174.05582	2.2
175.03947	13.6
175.06062	3.3
175.07466	10.3
177.04005	2.5
177.05438	14.1
178.06285	6.3
178.08583	2.6
179.03418	8.8
181.04922	7.5
185.06007	5.0
187.03856	8.9
189.05457	12.1
191.03387	1.9
193.05022	11.4
193.06908	3.0
193.08588	32.7
195.36420	1.6
197.05893	1.6
199.03897	4.9
201.05466	4.2
203.03389	4.9
203.07043	5.6
205.04977	91.9
206.05753	30.8
207.06427	5.0
211.06020	5.9
213.05431	10.3
217.04959	31.8
219.03027	2.2
219.06502	18.9
221.04439	11.7
223.06020	41.8
223.08186	2.3
225.05446	3.0
227.07024	3.0
229.04979	9.9
230.05682	4.3
231.02924	2.9
231.06520	22.5
233.04420	6.8
235.06021	100.0
236.06291	1.6
241.04910	3.8
242.05907	1.6
243.02924	3.5
243.06509	3.6
245.04456	2.2
245.08109	21.8
247.05978	9.4
249.07687	7.8
255.06505	5.1
257.04449	2.2
259.06018	50.9
261.03967	2.2
265.07111	2.9
266.41037	1.5
271.05969	10.1
273.07596	10.8
277.07077	57.4
283.05994	6.5
285.01080	2.6
289.07077	74.8
301.07062	45.1
307.08075	2.8
309.07477	1.9
319.04669	3.6
319.08096	42.1
329.44745	2.0
337.05713	2.0
337.09286	35.2
355.10373	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
56.05022	0.7
57.03429	1.1
57.18697	0.6
59.04993	1.9
61.46602	0.6
61.59128	0.7
67.01856	0.8
69.03445	0.9
70.06599	4.3
70.25601	2.0
72.08148	2.7
73.04759	1.8
81.03425	1.0
84.04498	1.7
84.08141	4.9
85.02895	3.6
86.09681	1.7
87.04457	0.8
91.05833	1.2
91.61070	0.7
97.02872	1.2
103.03955	8.6
105.03535	0.7
107.04964	2.3
109.02860	1.2
110.07171	0.9
113.55193	0.7
119.04979	1.0
121.02866	1.2
129.10234	1.7
137.05991	1.1
147.04446	1.5
149.02391	0.9
151.03909	2.1
161.05977	2.4
167.03337	1.3
175.07501	0.8
177.05472	2.2
179.03578	0.8
179.06981	0.8
180.59131	0.7
181.04829	0.8
187.04033	1.2
189.05479	19.1
192.04274	1.5
193.04982	7.6
195.02835	0.9
199.07552	1.1
201.05496	1.0
203.03351	1.0
203.07033	7.9
205.04973	100.0
206.05707	7.7
215.07025	1.2
216.04321	0.7
217.05000	15.5
217.08522	1.6
219.02844	1.6
219.06532	1.9
223.06013	1.0
227.07011	2.6
229.05025	4.5
230.05667	1.0
231.02925	2.1
231.06514	23.0
235.06018	72.6
236.06351	1.1
243.06468	2.9
245.04340	0.8
245.08084	12.2
247.05824	0.8
255.06593	4.8
257.04553	1.2
259.06039	33.1
271.06036	10.4
273.07535	2.2
283.06036	10.6
285.00900	1.3
289.07056	18.7
301.07077	17.1
319.08133	11.7
337.09436	6.1
354.54089	0.7
355.10651	3.4
355.13864	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24807	1.0
55.01860	1.0
69.00142	0.9
69.03426	1.9
70.06586	1.7
71.50883	1.3
73.04759	1.8
78.04714	2.1
79.05482	4.7
81.03387	1.5
81.07058	1.0
83.62414	0.9
91.05454	13.1
92.05818	1.0
103.05468	3.5
104.06229	1.5
105.03374	1.3
105.07030	12.4
106.04183	1.4
107.04954	4.1
115.05457	10.3
117.07007	9.1
119.04932	4.4
119.08575	10.5
121.06509	1.8
122.03633	2.0
123.04425	5.7
124.05199	1.8
128.06223	4.7
129.07028	7.2
130.04129	2.1
131.04926	3.3
132.05702	5.8
133.06499	9.6
135.04430	1.3
137.05981	14.8
141.06995	15.2
143.04938	1.6
145.06488	3.9
146.03641	1.3
147.04410	4.3
147.08055	22.0
147.11655	3.7
149.05917	2.0
150.06738	1.7
151.03893	2.2
151.07622	2.3
152.04724	1.0
157.06403	1.6
158.03624	2.9
158.07327	1.1
159.56990	0.9
160.05203	6.3
161.05972	13.2
163.07573	1.1
167.07043	55.0
168.07338	1.4
169.06503	18.4
173.05968	4.4
175.04184	4.6
175.07552	100.0
176.07852	2.0
176.76649	1.1
177.05444	1.6
177.06905	1.0
178.07791	1.8
185.05907	1.3
186.03113	3.0
186.06828	2.2
187.07587	2.3
189.05444	1.7
189.06996	2.9
189.09064	4.4
191.06992	4.5
193.08615	29.1
194.07309	1.5
201.05460	36.3
201.09053	8.2
205.06491	3.4
206.07295	2.6
210.14975	1.5
221.05956	1.2
222.06754	1.8
231.06308	1.4
233.05956	2.6
234.06720	5.1
235.07509	2.2
237.09081	1.5
239.06963	1.1
247.07521	1.3
248.08282	2.0
249.09079	2.4
250.06221	2.4
251.07050	2.3
259.07513	2.1
262.06281	4.2
263.07169	1.6
265.08563	4.1
267.06467	1.1
276.07867	1.2
277.08624	5.3
278.05942	1.1
279.06552	1.8
279.10214	1.0
285.01041	1.3
290.05579	2.8
291.09988	2.0
292.07303	1.8
293.08102	3.6
294.08835	1.4
295.06265	1.1
295.09604	1.2
305.08011	4.4
307.09644	2.3
309.10815	1.3
323.09067	2.3
323.12619	2.3
325.10608	3.1
337.10641	4.3
355.11456	4.2
355.15280	23.1
355.21744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
69.03414	1.2
69.07047	0.6
70.06593	1.8
70.66584	1.9
73.66414	0.6
78.04706	1.9
79.02586	0.6
79.05502	2.4
81.03390	1.2
81.07062	1.2
84.08142	0.8
85.02882	0.7
91.05466	9.5
93.07039	1.0
95.04993	1.4
98.20693	1.0
103.04002	0.7
103.05459	3.3
104.06236	1.6
105.07046	6.7
106.04174	0.9
107.04957	3.5
107.08605	0.6
109.02901	1.2
109.06493	0.9
115.05447	8.8
117.07024	8.2
119.04920	1.2
119.08595	7.5
121.06485	1.0
121.10204	0.6
123.04449	5.2
124.05157	1.1
128.06235	3.9
128.07047	0.6
129.07031	6.4
130.46886	0.6
131.04906	3.7
132.05698	6.4
133.06522	7.7
137.05986	4.9
141.05991	0.4
141.06987	12.5
143.05023	0.9
143.06084	1.0
143.08624	0.7
145.06491	3.5
147.04420	1.6
147.08052	19.9
151.03908	2.2
152.04720	0.9
157.06503	1.2
158.03738	0.8
158.07278	1.4
159.08054	1.3
160.05203	5.0
161.05998	10.1
163.07451	0.8
167.07048	51.4
169.06499	17.9
170.07121	0.8
173.05998	1.1
173.09683	1.0
175.07555	100.0
176.07881	1.5
177.05481	1.6
178.07762	0.9
181.05023	0.7
181.08476	0.7
186.06778	2.2
187.07561	2.1
189.09103	3.6
191.07065	5.0
193.04953	2.1
193.08626	29.4
199.07550	2.7
201.05489	4.2
201.09077	6.9
203.08551	1.1
205.06627	0.9
206.07271	0.8
206.14621	0.7
207.08131	1.2
221.06104	0.9
234.06758	1.7
235.07619	1.5
236.08243	1.0
237.09093	1.9
249.09128	1.1
250.06314	0.8
251.06992	2.1
263.07019	1.2
263.10483	1.2
265.08612	2.7
265.12628	0.7
266.09268	0.7
272.40695	0.7
275.06763	0.7
276.07700	0.9
277.08630	2.4
279.06467	1.1
280.07095	0.8
281.08176	0.9
282.08936	1.0
284.06680	0.7
291.10077	1.8
293.08182	1.9
295.09650	2.4
295.13269	1.1
304.13321	0.6
309.11197	1.2
311.09250	1.0
323.09134	7.3
323.12592	1.8
325.10760	3.8
327.12335	1.0
337.10580	1.6
355.07495	1.5
355.11636	7.9
355.15479	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1727
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05499	1.0
62.57750	0.6
65.23291	0.6
70.06596	7.1
70.35364	0.6
70.39236	2.2
72.08144	1.8
73.04744	0.9
81.03425	1.0
83.08606	0.7
84.08137	1.7
86.09719	2.9
86.67984	0.6
93.04563	0.8
100.11236	1.7
105.07001	1.4
109.02864	1.1
110.07176	1.5
111.04441	1.8
120.08111	1.5
127.03890	0.6
129.10197	1.2
133.06502	0.8
137.05968	1.2
141.06960	0.9
147.08011	1.3
156.07701	1.2
161.06073	0.7
167.07033	3.5
175.07567	5.5
179.36684	0.7
182.15427	2.7
193.08597	1.9
201.03705	6.4
201.05420	1.2
201.09105	0.7
203.05304	2.2
210.14877	3.4
228.15965	1.1
279.60980	0.5
332.97000	0.7
337.21158	0.9
355.17294	100.0
356.17679	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	355.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03252	0.3
55.01843	0.4
55.05497	0.5
66.60984	0.3
67.05502	0.4
69.07062	0.4
69.76145	1.7
70.06583	1.1
73.04737	0.3
75.97381	0.3
81.03399	0.8
81.07046	0.6
85.02898	0.5
89.84654	0.3
91.05449	1.6
92.88947	0.3
97.02941	0.3
98.21404	0.7
100.11265	0.8
100.41725	0.3
103.05489	0.4
107.04983	0.7
109.02892	0.9
111.94899	0.4
115.05443	0.6
117.07036	0.4
119.04945	2.4
121.02868	3.4
122.03686	0.5
123.04396	0.5
130.04170	0.7
131.04918	0.4
131.37437	0.4
137.05983	4.2
142.43387	0.4
143.04985	0.5
145.06430	0.5
147.04413	1.4
147.07976	0.4
149.02362	0.5
149.05894	0.4
150.06714	0.4
151.03952	0.6
153.01750	0.3
158.03592	0.4
160.05241	0.5
161.05954	0.4
161.09758	0.4
162.06804	0.5
163.04012	0.5
164.59605	0.3
167.03386	0.7
167.06963	0.4
173.05948	1.2
175.03899	1.0
175.07520	1.0
177.01810	0.7
178.07840	0.4
186.03140	1.1
189.07001	0.6
193.04927	0.6
193.11986	0.9
197.06021	0.4
201.05472	12.6
203.05309	2.4
205.06493	1.1
206.07310	1.1
211.07491	0.5
213.05586	0.6
217.06406	0.6
220.00897	0.3
220.05090	0.4
221.06017	0.4
222.06781	0.6
227.07286	0.4
228.07776	0.4
231.06506	0.7
233.05919	0.9
234.06839	1.7
235.07556	0.6
236.08270	0.4
237.09268	0.7
243.06522	0.8
245.06081	0.4
246.06737	0.4
249.09096	0.5
250.06349	1.0
251.07124	0.7
252.07867	0.4
255.06506	2.5
256.07309	2.7
262.06274	0.9
263.07056	0.6
265.08627	1.1
267.06467	0.6
273.05328	0.4
277.08646	1.3
283.06009	1.6
284.06812	9.1
285.07458	0.7
290.05750	1.0
293.07999	0.8
295.06046	3.4
305.08102	2.2
307.09772	0.9
312.19858	0.4
313.07065	30.5
314.07468	1.0
322.08228	0.4
323.09128	0.8
325.10709	2.1
327.08588	0.8
337.10727	1.5
355.08170	15.5
355.17282	100.0
356.17627	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.51657	4.2
55.05518	33.6
57.03419	11.9
57.07066	11.5
59.42909	3.4
65.30540	3.5
67.05178	5.8
67.05511	76.9
69.07076	48.4
69.45640	29.6
71.08611	7.0
79.05496	25.3
81.06600	6.3
81.07062	100.0
83.08621	29.0
83.85471	4.7
85.06541	4.0
91.05481	23.0
93.07049	22.5
95.08614	83.8
95.12952	3.8
97.06511	13.9
97.10147	19.8
105.07030	13.6
105.87657	4.2
107.08604	18.9
109.10165	37.2
111.11720	5.0
119.08563	12.4
121.10158	28.3
123.11687	20.6
125.13270	4.2
133.10129	18.1
135.11687	18.2
137.13264	11.5
147.11676	13.7
149.13264	11.9
161.13235	17.3
163.14824	11.6
165.16325	6.4
175.14810	11.3
179.14346	4.2
179.17870	4.5
189.16515	4.6
245.22678	43.5
263.23761	37.0
337.27283	23.0
355.28275	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12246	3.3
53.03960	3.8
54.52213	3.6
55.05510	24.8
57.03446	6.1
57.07068	11.2
67.05509	56.3
69.07072	40.3
69.29636	20.3
69.30051	13.3
70.32449	3.3
71.08630	5.5
79.05499	25.2
81.07066	100.0
83.08608	20.7
84.46040	3.7
91.05483	18.0
91.48032	3.4
93.07065	21.6
95.08616	79.6
97.06550	6.6
97.10174	16.7
105.07086	8.3
107.08576	19.0
109.10165	36.9
111.08095	5.5
111.11750	5.5
114.39105	3.4
119.08613	14.0
119.54232	3.4
121.10159	29.2
123.11700	23.8
125.80278	3.6
133.10147	15.9
135.11711	18.7
137.13283	11.0
147.11671	13.3
149.13260	22.4
151.14838	4.9
161.13303	16.2
163.14842	13.4
165.16402	7.0
175.14812	11.6
177.77518	3.9
179.18047	4.1
202.61813	4.0
245.22670	50.9
260.10019	3.5
263.23724	42.9
299.77444	3.7
337.27493	22.6
355.28619	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03933	4.5
55.05513	34.4
56.01055	4.2
57.03432	13.7
57.07068	18.3
57.76173	4.1
62.83339	4.2
67.05508	75.8
69.07080	44.2
71.08622	4.8
71.35603	10.0
79.05489	23.9
79.07076	4.5
81.07066	100.0
83.04969	4.3
83.08620	21.9
85.06562	5.9
91.05486	22.2
93.07058	26.9
95.08610	98.7
97.06535	14.2
97.10180	21.3
105.07027	15.5
107.08612	18.6
109.10163	50.5
111.08063	5.0
111.11678	8.7
119.08596	18.1
121.10154	30.4
123.11728	26.5
127.35847	4.9
133.10168	20.5
135.11693	17.2
137.13290	8.9
147.11719	17.1
149.13277	18.7
151.14822	8.5
160.90762	5.2
161.13260	13.4
163.14796	11.7
165.16402	8.8
175.14859	9.4
179.17996	7.8
189.16461	8.4
245.22691	62.9
262.62857	4.6
263.23715	54.7
337.27353	31.5
355.28345	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70680	2.8
54.57202	2.5
55.05516	35.6
57.03427	10.5
57.07074	15.7
67.05508	80.6
69.07076	47.2
70.20308	4.2
70.20650	10.4
71.08636	5.8
73.17892	2.8
79.05494	29.1
81.07063	100.0
83.08625	32.9
85.06533	4.5
85.10182	3.9
91.05467	23.2
93.07047	38.3
94.66766	2.8
95.08608	97.8
97.06538	8.9
97.10181	22.5
99.08057	2.7
105.07036	16.0
107.08604	24.7
109.10164	39.9
111.08153	5.2
111.11706	5.9
119.08597	19.7
121.10143	38.1
123.11712	17.2
133.10132	18.2
135.11670	20.2
137.13278	9.6
147.11635	15.0
149.13263	15.3
151.14828	7.0
161.13277	17.1
163.14824	19.9
165.16360	7.0
170.05632	2.8
175.14861	11.0
179.17998	5.8
189.16394	6.5
202.87479	2.8
235.75006	3.4
245.22679	54.1
263.23721	50.5
286.23334	3.3
313.48282	3.1
337.27261	22.0
355.28482	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	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03935	4.9
55.05512	47.7
56.05862	4.3
57.03436	12.0
57.07076	16.0
57.40772	4.5
67.05505	77.2
69.06799	5.4
69.07075	53.9
69.37380	39.7
71.08636	5.4
79.05501	29.0
81.07059	100.0
83.04988	5.0
83.08609	29.4
91.05477	21.2
93.07074	29.8
95.08607	85.4
97.06529	7.1
97.10172	21.8
98.21545	10.4
105.07037	18.3
107.08609	22.9
109.10164	46.9
110.74782	4.9
112.07500	4.3
115.93188	4.7
119.08605	16.5
121.10143	33.5
123.08064	4.8
123.11689	18.8
133.10143	21.0
135.11707	15.9
137.13293	6.9
147.11671	16.1
149.13248	15.5
158.97890	4.8
161.13336	12.1
163.14845	13.8
175.14857	11.7
194.61415	4.9
234.78465	4.7
244.18730	5.2
245.22623	47.0
263.23801	46.0
275.65027	5.0
337.27310	29.8
355.28391	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	355.2997
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
53.03934	2.9
54.34671	3.0
55.05513	21.4
57.07080	5.8
67.05515	25.5
69.07079	14.9
69.18706	20.0
69.19135	12.1
71.05000	3.1
75.80257	2.6
79.05502	19.3
79.09660	2.6
79.48550	2.7
81.07067	100.0
83.08608	12.8
85.06588	3.5
91.05500	14.3
93.07052	52.2
95.04944	4.8
95.08620	64.5
97.06538	8.1
97.10156	8.2
98.20767	4.5
105.07035	38.3
107.08601	57.4
109.06529	5.8
109.09490	3.5
109.10171	38.0
116.01225	2.8
117.06998	4.4
119.08592	36.7
121.10158	40.4
123.11721	17.8
131.08569	12.0
133.10129	23.4
135.11703	32.1
137.13266	7.6
139.28151	2.8
143.08565	3.9
145.10150	19.5
147.11681	29.5
149.13268	36.7
151.11235	4.1
157.10121	5.7
159.11719	24.3
161.13274	18.8
162.30566	2.8
163.14835	26.7
163.56761	2.9
165.12866	4.5
169.10118	3.4
171.11734	5.2
173.13263	17.3
175.14832	15.2
177.16457	6.5
187.14856	16.8
189.16415	21.3
191.17958	18.0
197.99339	2.9
199.14864	7.0
201.16386	10.7
203.17932	9.1
209.12933	2.9
213.16435	8.8
215.17979	9.5
217.19551	8.1
227.17998	8.3
229.19493	8.1
231.21053	3.2
233.35837	3.2
248.00987	3.6
253.19664	3.9
271.24051	3.2
294.29425	2.9
297.25766	4.3
337.28967	23.4
355.30038	70.7
365.26166	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	356.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
57.03432	1.0
61.02902	1.2
65.03942	1.1
68.41914	0.5
69.03435	4.1
69.58083	3.9
73.02897	1.2
79.05497	3.0
81.03409	1.2
83.19122	0.5
84.08147	0.6
85.02908	4.6
87.04456	0.9
87.30264	0.6
91.03948	0.9
91.05489	5.6
93.07023	0.9
97.02890	2.4
98.97540	0.7
99.04462	0.7
101.05553	0.5
103.05463	3.1
104.04958	0.7
105.03413	1.0
105.07021	6.5
107.04964	1.0
109.02856	0.8
114.13579	0.6
115.05453	1.2
117.05773	14.1
120.08126	4.1
122.06029	1.4
123.06834	0.9
127.03881	1.1
127.24001	0.5
130.06526	3.7
131.04900	0.6
131.07304	1.8
132.08092	19.9
133.05251	7.6
133.08469	0.6
134.06029	0.7
136.06189	0.9
136.07596	0.7
137.05894	0.6
137.08372	2.8
138.05478	1.1
138.09218	0.8
147.06787	4.4
148.07576	42.0
150.05513	8.5
150.09140	1.0
150.32454	0.6
156.03334	1.1
160.07587	9.3
164.07062	1.6
166.07254	0.7
166.08633	12.7
175.06305	0.6
176.07077	50.0
178.08516	0.6
190.34564	0.6
192.06514	0.6
194.08130	47.4
195.08426	0.9
248.92880	0.7
338.12396	1.1
356.13400	100.0
357.13647	3.5
372.53189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04562	0.8
53.03963	1.0
55.93530	1.1
56.05036	1.6
56.94310	1.9
56.96564	2.3
57.03443	1.5
64.20752	0.7
68.71159	0.8
69.03432	31.9
69.07067	1.2
69.96641	3.1
70.06597	13.9
70.95853	1.9
71.05003	1.7
72.08153	5.2
72.65948	0.7
72.93427	1.4
72.93774	6.3
73.02914	1.5
75.22356	0.9
81.03422	21.6
84.04514	11.2
84.08150	19.8
84.96048	0.8
85.02892	4.1
86.09723	3.7
89.75117	0.9
90.94816	1.5
91.05820	1.4
91.70547	0.8
97.02895	2.5
98.97589	3.9
99.04459	7.9
99.94870	1.1
107.04973	2.8
110.07189	1.9
110.97630	1.3
111.04470	0.9
112.51485	0.9
115.08703	1.0
116.07108	4.1
116.98658	1.4
117.05511	1.8
127.03911	1.6
127.05008	1.0
128.98602	1.2
129.09367	1.4
129.10252	16.6
132.95836	2.5
134.70410	0.8
137.06003	12.0
139.03934	1.2
144.95845	16.9
147.04436	1.3
150.96860	1.5
152.14314	1.3
152.97440	1.2
158.97418	4.9
158.99637	1.0
162.96913	6.6
163.03894	1.0
168.95848	1.6
169.91203	0.9
180.96999	3.4
195.03072	1.2
198.98021	49.8
209.98521	4.6
216.99084	100.0
217.99474	1.2
218.99664	0.9
219.01671	1.5
229.15550	1.8
235.00278	11.8
237.02835	1.6
240.00720	1.0
240.99069	11.8
242.15015	1.3
242.18727	2.4
243.00676	2.5
247.20305	1.2
252.99078	59.6
259.00122	6.8
269.02200	9.9
271.00153	28.6
276.99173	1.3
279.00638	3.1
285.01578	1.7
287.00586	1.6
294.01730	1.8
295.00095	2.5
297.01688	11.6
315.02728	23.7
321.06357	1.5
357.03537	1.1
357.11597	1.3
357.21548	1.0
357.25073	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	357.1181
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.60277	0.2
55.01867	0.3
66.04711	0.3
69.03417	0.3
69.77460	0.6
69.77871	0.4
70.06591	1.9
72.08154	0.6
79.05484	0.2
81.03378	0.3
84.04504	0.7
84.08147	0.8
85.02900	0.6
86.09708	0.9
91.05463	1.2
94.04185	2.0
95.01336	2.0
96.04499	0.4
98.06049	0.3
103.05467	0.8
107.04967	0.4
109.02881	0.3
109.06511	0.2
110.07223	0.3
116.07104	1.0
119.04941	1.5
122.03656	5.2
126.05490	0.5
129.01830	0.2
129.10254	0.6
131.04939	1.3
136.05203	0.3
137.05981	100.0
138.05447	2.3
138.06409	1.1
141.01837	0.7
144.06564	0.5
144.10201	0.8
147.04393	0.2
151.07562	0.9
163.07570	1.9
168.06555	0.6
177.03963	0.6
177.05446	0.3
181.08636	1.6
186.07697	0.4
196.14639	0.2
205.08627	0.2
260.42984	0.2
329.17102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
50.76633	0.3
53.03951	0.4
55.01871	0.7
56.55893	0.4
65.03915	0.8
67.05483	0.4
69.03431	0.8
70.06574	0.6
70.31186	1.3
71.43289	0.3
76.38530	0.3
79.05480	0.8
81.03411	1.1
84.08157	0.6
85.02921	0.7
86.09695	1.1
91.05467	1.4
94.04198	2.4
95.04950	0.7
97.06471	0.4
98.21404	0.5
105.07021	0.4
107.04955	1.1
108.02090	0.7
109.02889	0.8
111.04420	0.5
115.05470	1.4
117.07021	1.2
122.03664	8.1
124.96926	0.4
127.03881	0.5
129.07004	0.8
131.04921	0.5
137.05984	100.0
138.06316	0.9
143.04948	5.7
144.04456	0.7
145.06435	0.7
151.03917	20.9
151.05028	1.8
153.05482	0.5
157.06532	0.6
161.05965	0.8
163.07607	0.4
167.07040	0.5
171.04553	0.5
172.03966	2.0
175.07574	2.3
195.06389	1.3
195.08359	0.4
203.06944	2.5
204.06638	2.3
205.08565	2.9
219.02899	0.4
219.08049	0.7
247.07506	0.4
251.07452	0.3
263.07355	0.4
307.09732	1.1
309.10980	0.5
310.88379	0.4
311.13101	0.4
321.11331	1.2
325.03500	0.5
327.12296	11.6
327.16061	0.8
339.12317	0.7
357.13376	20.4
357.18381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1333
Annotation	Pluviatolide
Peak:m/z	Relative Intensity
50.89559	0.3
53.03944	1.1
55.01863	1.1
55.05502	0.4
65.03948	0.6
66.04668	0.4
67.05501	0.8
67.48797	0.4
68.00997	0.4
68.99783	0.5
69.03444	2.4
69.07066	0.4
70.06570	0.4
71.05004	0.7
71.24104	0.7
73.93508	0.3
79.05495	1.5
81.03418	3.4
81.07064	0.8
83.04992	0.5
84.95069	0.4
85.02905	1.0
87.00815	0.4
91.05489	1.4
93.07052	0.8
94.03066	0.4
94.04200	2.3
95.04958	0.7
97.02876	0.7
99.04462	0.9
103.05460	0.6
105.07032	1.3
107.04966	1.2
107.08584	0.7
109.02863	3.0
109.06490	0.4
111.04460	0.9
115.05473	2.3
117.07056	1.1
121.02869	0.7
122.03657	8.1
125.02361	0.8
127.03922	3.1
131.04918	0.9
131.08549	0.8
133.06464	0.4
137.05983	100.0
138.06296	1.6
143.04922	5.6
144.40514	0.4
145.06490	1.3
147.04393	0.6
149.05833	0.4
151.03917	14.9
151.05040	1.3
160.05275	0.5
161.06006	1.5
165.05531	0.8
165.06927	0.5
167.07077	1.0
171.04428	0.4
175.07497	2.3
177.05521	0.7
177.09109	0.5
187.07561	0.5
194.07327	0.6
203.07056	2.1
205.08553	2.8
217.06563	0.5
218.07172	0.5
219.08054	0.8
221.05963	0.4
222.06699	0.4
233.08093	0.4
235.07645	0.5
237.09068	0.4
243.06631	0.4
247.07573	0.8
248.08247	0.3
250.06281	0.5
251.06958	0.5
253.08649	0.4
261.08871	0.4
264.07806	0.5
265.08585	1.1
266.09247	0.4
267.10162	0.6
270.08878	0.4
277.08533	0.6
279.10181	1.0
281.08484	0.4
286.08578	0.5
295.09644	0.7
296.10330	0.4
297.11276	0.6
307.09610	1.2
309.11261	0.5
311.12845	0.5
321.11185	0.6
325.10724	2.1
327.12292	11.9
328.12915	0.5
339.12314	1.0
357.08429	1.2
357.13333	21.9
358.13666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1335
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01881	24.2
65.03956	6.1
69.03434	5.3
69.61305	19.1
73.48151	2.6
73.91138	3.3
75.77504	2.7
79.05490	5.2
81.03423	3.3
81.07071	4.0
91.05474	8.3
93.03406	7.5
94.04183	10.3
95.04927	3.2
100.65861	2.9
103.05460	7.9
103.40583	2.6
107.05019	3.8
111.04423	6.3
115.05472	12.2
116.03504	2.8
117.03423	6.3
119.08553	3.0
122.03653	17.5
123.04449	2.8
125.05973	5.6
127.03880	3.1
131.04962	9.3
133.06488	2.9
137.05989	100.0
140.65036	3.0
142.03436	3.1
143.04921	9.2
145.02873	3.0
146.03659	7.2
147.04449	4.5
148.05544	3.1
148.95828	2.9
149.06062	5.3
151.03920	9.4
153.05482	3.6
155.04898	7.2
158.31009	2.6
160.05222	2.9
161.05983	27.7
165.05490	38.5
165.06926	7.3
171.04393	4.3
172.05156	7.0
175.07552	5.4
177.05508	13.2
177.06998	3.3
178.07799	5.3
179.08582	4.6
181.06541	5.7
187.07564	8.1
189.07025	13.2
190.07765	16.6
191.08559	16.4
194.07271	4.3
202.07768	6.1
203.07007	11.5
205.06580	5.3
206.07205	4.4
207.08037	11.4
208.08849	4.1
215.06993	13.5
217.06432	7.6
218.07277	20.1
219.08090	37.0
220.08667	4.7
221.06175	3.4
229.06580	9.9
231.08145	4.4
233.05894	3.9
234.06822	11.8
235.07475	21.8
236.08336	12.6
237.09100	3.5
246.06836	28.4
247.07547	34.9
248.08231	4.9
249.09134	11.0
251.07062	7.9
251.10750	3.2
253.08470	8.5
257.06061	11.1
259.07562	4.7
261.09164	40.0
262.06332	7.4
263.07043	17.5
264.07806	17.8
265.08597	10.7
267.10208	6.9
269.08069	5.2
274.06335	16.0
275.07111	15.4
276.07611	3.4
277.08600	31.2
278.06583	3.3
278.09363	12.8
279.07260	4.4
279.10095	24.2
281.08200	4.5
281.11661	3.9
289.08609	53.3
290.09280	9.6
291.06442	9.5
292.07373	7.8
294.08917	9.6
295.09683	9.6
296.10391	3.3
306.08951	16.6
307.09680	91.9
308.10312	5.7
309.07910	5.1
309.11093	19.4
311.12930	4.2
321.11230	70.1
327.12283	27.1
339.12329	39.6
356.80634	4.1
357.13321	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	357.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	3.7
69.62016	1.7
69.62414	3.5
70.06591	1.9
84.08152	1.2
98.97583	1.3
107.04969	1.1
112.07617	0.9
128.98622	0.8
138.02228	2.3
145.75017	0.8
156.03326	66.4
158.97369	0.9
168.03336	64.4
174.04402	23.9
174.85800	0.8
186.04395	100.0
204.05463	26.5
204.07376	1.2
225.61176	0.8
228.05441	50.9
234.99080	1.4
246.06531	24.1
267.10172	1.4
279.10187	26.0
297.11218	41.2
342.00211	1.0
352.35074	1.0
357.13409	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25228	0.9
53.03948	3.8
55.01878	6.4
55.05492	1.0
56.65436	0.9
69.03425	1.2
69.29932	3.9
69.30359	5.4
79.05483	3.5
81.03416	2.5
81.07066	1.5
83.04992	1.0
91.05470	10.2
93.07047	7.6
95.04974	2.8
95.08613	2.5
99.04473	2.2
103.05473	8.2
104.49973	1.2
105.04551	1.5
105.07021	5.9
107.04961	100.0
107.08606	1.5
108.05281	1.7
109.02891	5.8
109.10139	1.1
115.05463	3.5
117.07018	1.7
118.04167	3.8
121.06491	11.7
127.03880	4.9
130.04129	2.2
131.04927	6.0
133.06519	2.3
134.03578	1.7
137.05991	7.0
143.04932	1.4
145.02919	2.5
145.10127	1.3
146.93973	1.2
147.04417	2.5
148.05161	1.6
149.05995	13.3
151.03889	1.7
153.05396	1.2
157.10098	1.3
161.05978	12.1
163.07414	1.3
165.41173	1.0
166.06326	1.2
171.04379	4.1
176.04729	3.1
177.05484	13.0
179.08604	1.1
181.08655	6.5
181.09991	1.2
191.07039	18.6
191.08597	1.5
193.08627	2.4
208.08852	1.4
209.08093	37.0
237.09134	4.0
265.08649	3.2
280.60736	1.1
282.08972	2.2
297.11200	8.0
307.09464	2.3
315.03143	1.1
315.56085	1.0
325.10840	2.6
339.12158	2.5
357.08551	1.0
357.13422	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1334
Annotation	(?)-Balanophonin
Peak:m/z	Relative Intensity
53.03945	4.2
55.01876	26.9
57.03446	2.2
59.91259	1.8
65.03938	4.4
68.99783	2.5
69.03426	8.6
69.40591	1.7
69.46195	2.1
69.86918	11.3
71.04980	2.5
72.08140	2.0
74.93254	2.4
79.05495	5.4
81.03415	16.2
81.07048	2.5
85.02927	6.4
86.09721	2.7
89.03893	2.8
91.05485	13.1
93.03411	7.3
93.07029	4.4
94.04185	3.9
95.04980	3.8
97.02905	5.4
99.04442	5.3
103.05494	10.1
103.06073	1.9
105.07041	4.0
107.04950	5.7
109.02894	16.9
109.06549	3.4
110.03706	2.6
111.04466	6.3
115.05464	12.9
117.03407	4.2
117.07034	3.0
119.04941	11.3
120.05710	2.2
121.06527	5.5
122.03651	11.9
123.04420	3.5
125.05991	6.8
127.03954	21.0
129.07007	2.9
130.04187	2.2
131.04936	9.9
133.06541	4.0
135.04416	2.4
137.05984	100.0
139.18935	2.0
143.04933	8.6
144.05716	2.5
145.02872	5.8
145.06477	4.3
146.03642	5.5
147.04443	11.0
147.08072	3.4
149.06012	10.0
151.03932	9.7
153.05469	12.2
155.04965	10.4
159.04422	3.4
160.05247	5.1
161.05998	20.6
162.06731	2.7
163.07661	2.8
165.05507	11.0
165.06827	2.7
165.66632	1.9
171.04425	5.3
172.05219	8.8
173.06064	2.7
175.07593	17.8
177.05475	21.1
178.07788	3.6
179.07106	4.5
179.08569	4.7
183.04434	6.3
185.06007	18.7
187.07565	8.9
188.04666	2.2
189.06976	7.2
190.07829	5.7
191.07005	5.1
191.08607	6.3
194.07349	2.3
200.04716	4.4
203.07028	56.0
205.06587	4.7
206.07164	4.6
207.08093	9.4
213.03886	3.9
215.07022	35.6
217.06575	4.4
218.07323	9.1
219.08057	16.6
221.06030	5.8
234.06866	12.2
235.07549	8.2
236.08301	5.4
237.09221	3.1
245.06006	4.1
246.06866	6.7
247.07552	16.4
248.08371	4.8
249.09061	16.2
251.06984	8.7
251.10754	4.4
253.08783	3.0
259.07596	2.5
261.09018	9.9
262.06177	6.6
263.07040	10.1
264.07904	9.1
265.08588	5.4
266.09302	2.8
267.10138	6.3
274.06384	4.3
275.07037	4.9
276.07779	3.2
277.08582	25.4
278.09311	5.0
279.06833	4.0
279.10184	10.2
281.07977	2.2
285.03821	2.9
286.04755	6.4
289.08661	11.3
291.06708	3.0
292.07281	3.1
294.08911	8.8
295.09583	6.2
306.09070	3.2
307.09689	22.8
308.10150	3.7
309.11209	28.9
313.10733	3.2
321.11346	12.0
325.10733	3.9
327.12238	25.1
329.06577	4.2
339.12466	10.2
357.08267	8.6
357.13330	53.4
357.17639	4.3
368.89001	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.6
55.05497	17.7
57.03438	5.8
67.05151	7.9
67.05499	45.9
69.03432	8.6
69.07050	18.3
71.04986	17.3
79.05500	42.4
81.07062	94.1
83.04995	9.4
83.08594	8.4
85.06554	10.2
91.05485	38.3
93.06499	7.6
93.07059	100.0
95.04951	13.5
95.08076	7.4
95.08622	94.7
97.06551	8.6
97.10144	6.5
99.04482	6.1
99.92964	6.5
103.05416	6.2
105.07044	71.7
107.04950	24.1
107.08579	58.8
109.06525	67.2
109.10157	52.6
111.08058	27.6
117.07011	15.9
117.34085	6.4
119.08585	91.0
121.06504	13.2
121.10117	31.1
123.08058	7.7
123.11733	14.1
126.61486	7.3
131.08585	28.5
133.10120	31.3
134.91212	6.0
135.11679	26.0
137.05959	12.5
137.09587	37.8
143.08517	11.9
145.10136	35.2
147.11679	25.8
149.09631	10.0
149.13278	10.0
151.11110	12.2
155.08415	6.7
157.10188	18.1
159.11713	34.3
161.09637	7.3
161.13281	24.4
163.11176	7.5
163.14801	14.8
171.11694	12.3
173.13275	18.4
175.14882	9.8
183.11707	7.6
185.13211	9.3
187.14772	13.0
191.14322	8.9
197.13341	7.6
199.14876	16.7
201.16441	14.6
213.16531	8.5
217.15897	18.2
273.58182	5.9
297.11279	9.7
322.24643	6.6
334.17947	6.8
339.26880	10.7
357.23907	8.9
357.27823	27.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.05520	20.4
55.05727	3.4
57.07079	6.9
65.03900	4.6
67.05193	3.9
67.05513	43.4
68.14589	3.7
69.03408	4.9
69.07075	28.2
71.04992	7.2
71.52322	5.2
79.05508	27.8
81.07059	100.0
83.08617	9.5
85.06544	10.8
89.73846	3.6
91.05476	26.4
93.07047	70.0
95.04935	9.2
95.08614	94.0
96.18269	3.8
97.06519	14.2
97.10171	11.5
98.90425	5.2
105.07030	65.0
107.08604	64.6
108.63544	4.0
109.06512	10.5
109.10159	53.9
111.08077	10.9
117.07021	8.2
119.08597	70.4
121.10156	53.9
123.11701	20.8
131.08591	20.6
133.10133	39.1
135.11678	26.4
137.09598	11.9
145.10132	27.3
147.11717	28.7
149.13235	20.3
151.11124	5.5
157.10107	14.1
159.11705	32.9
159.41621	4.3
161.13268	25.0
163.14825	20.3
171.11574	5.2
173.13297	20.1
175.14848	16.0
177.16411	7.6
185.13174	11.0
187.14807	12.6
191.17914	4.3
199.14783	6.0
201.16351	5.9
203.17952	7.9
213.16368	4.5
215.17975	6.5
217.19472	5.8
229.19539	10.3
339.26688	6.3
339.30365	10.1
357.24136	6.4
357.27917	10.7
357.31412	43.3
357.35733	8.0
358.36740	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	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.04697	3.6
53.03931	4.4
53.08427	3.7
55.05516	58.0
57.03438	11.2
57.07080	40.0
67.05508	73.2
67.54342	4.1
69.07073	99.2
70.68835	8.4
71.08624	29.0
72.08157	6.0
79.05501	56.9
81.06594	5.9
81.07059	100.0
83.04974	5.6
83.08625	63.9
85.06554	4.8
85.10170	13.1
91.05456	8.3
93.07045	77.8
95.08616	85.3
97.06533	32.1
97.10177	43.4
97.32997	3.3
99.08095	4.7
100.00806	3.8
103.03964	8.1
107.08595	49.5
109.10165	45.8
111.08083	14.2
111.11700	11.2
121.10149	97.4
123.11703	16.3
125.13343	6.3
129.05518	4.9
135.11693	76.6
137.13258	8.6
139.11209	8.1
149.13272	29.5
151.14830	7.0
153.12753	3.9
156.47179	3.9
163.14816	13.6
165.16423	7.5
167.14336	6.9
177.16383	11.1
191.17868	12.4
205.19522	5.0
247.24231	77.3
265.25299	54.7
268.85440	3.7
283.26199	4.6
339.28918	34.9
357.29865	5.6
358.36926	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	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.05277	4.8
55.05517	77.6
57.03421	10.8
57.07079	45.0
67.05511	77.3
69.07071	100.0
69.52342	20.0
71.05004	4.6
71.08644	22.7
72.08156	4.3
79.05497	55.5
81.07062	83.4
83.04977	6.9
83.08625	75.6
85.06550	3.9
85.10171	13.3
87.04469	5.4
88.07636	5.6
91.05482	6.6
93.07051	70.3
93.14651	2.8
95.08612	93.1
97.06536	33.9
97.10164	42.6
98.21465	5.6
100.12138	3.5
103.03999	3.6
105.07021	3.9
107.08593	51.5
109.10173	54.5
111.08088	12.3
111.11740	14.7
121.10155	96.6
123.11708	17.1
125.09623	10.1
125.13291	5.8
128.63545	3.0
129.05569	3.7
133.10135	4.7
135.11693	72.0
137.13228	6.6
139.11238	6.4
149.13274	39.8
151.14890	6.2
153.12770	5.2
163.14842	12.5
165.16391	11.8
167.14369	3.3
177.16423	9.0
181.15959	3.9
191.17995	7.1
200.58131	3.1
210.61290	3.0
247.24232	77.6
265.25275	55.4
283.26263	4.6
295.58997	3.6
339.28961	42.1
357.30981	4.8
357.35553	22.6
358.36633	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	357.3001
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03944	3.4
55.05273	4.9
55.05516	68.2
57.03441	17.7
57.07080	46.5
67.05510	81.8
69.07072	97.8
70.06602	3.5
71.01766	4.8
71.04991	3.0
71.08639	30.8
75.04492	3.6
79.05500	50.4
81.07063	97.9
83.04984	5.4
83.08627	76.5
85.06561	3.3
85.10189	18.2
88.07629	5.7
91.05490	8.3
93.07054	74.7
95.04967	3.1
95.08619	84.9
97.06541	38.2
97.10181	48.4
99.08086	4.0
103.03948	4.5
106.08668	2.6
107.08611	58.7
109.10162	50.5
111.08112	14.8
111.11736	15.6
116.07098	3.4
121.10152	100.0
123.11765	14.6
125.09613	12.2
125.13321	4.3
129.05452	4.2
129.09171	2.6
135.11697	70.7
135.12738	4.0
137.13269	6.0
139.11183	9.1
149.13266	35.5
151.14838	10.2
153.12766	7.8
163.14795	14.1
165.16414	11.6
166.48453	2.2
167.14458	3.3
177.16406	10.9
181.15907	3.2
191.18021	5.4
192.11009	3.6
247.24232	83.4
262.09592	2.6
265.25275	65.5
283.26422	6.1
339.28992	50.1
357.30219	8.2
357.35614	16.5
358.37061	5.9
369.18488	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49573	0.3
55.01877	0.5
55.05515	0.5
57.03448	0.4
69.03409	0.8
69.07079	5.5
70.03786	0.3
70.06597	3.9
70.94890	0.3
71.04967	0.3
71.51459	0.4
72.08160	1.1
74.11460	0.3
79.48575	0.3
81.03432	0.7
81.07074	0.4
84.04514	0.4
84.08138	1.2
85.02903	0.8
86.09712	100.0
87.10027	0.5
91.05476	0.6
94.06586	0.4
95.04966	0.3
97.02891	0.4
97.06544	0.5
97.07660	0.4
103.05495	0.3
107.04988	1.2
109.02895	0.7
109.06568	0.4
111.04446	0.8
112.08758	0.6
114.10269	0.6
120.08126	0.5
121.02876	0.5
121.06512	0.3
122.09690	0.5
127.03965	0.8
129.10275	0.7
132.10217	1.3
135.04459	0.4
135.11697	0.3
137.05998	2.6
138.06340	1.0
139.77522	0.3
149.06009	0.4
151.03984	0.8
151.07616	0.3
155.11899	0.3
167.11914	0.3
171.18675	0.4
177.05533	0.4
184.05240	0.4
195.15024	0.4
196.13226	0.4
199.08826	0.4
199.18069	26.0
200.43042	0.3
212.05052	0.5
212.07101	1.8
220.08267	0.3
227.17563	12.8
227.19806	0.7
228.06581	1.4
235.07599	0.4
239.07080	0.5
245.18631	6.5
257.06937	1.1
261.10428	0.6
284.05530	2.4
285.06281	5.7
286.07138	1.0
295.06049	0.6
298.11423	0.4
299.08987	0.5
310.11551	0.4
312.08722	7.7
312.12210	0.6
324.20401	0.9
328.12695	0.9
340.08273	1.0
340.12524	0.6
358.09293	15.0
358.13632	1.1
358.18945	2.4
359.09430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.27
Annotation	Leucyl-leucyl-norleucine
Peak:m/z	Relative Intensity
51.49573	0.3
55.01877	0.5
55.05515	0.5
57.03448	0.4
69.03409	0.8
69.07079	5.5
70.03786	0.3
70.06597	3.9
70.94890	0.3
71.04967	0.3
71.51459	0.4
72.08160	1.1
74.11460	0.3
79.48575	0.3
81.03432	0.7
81.07074	0.4
84.04514	0.4
84.08138	1.2
85.02903	0.8
86.09712	100.0
87.10027	0.5
91.05476	0.6
94.06586	0.4
95.04966	0.3
97.02891	0.4
97.06544	0.5
97.07660	0.4
103.05495	0.3
107.04988	1.2
109.02895	0.7
109.06568	0.4
111.04446	0.8
112.08758	0.6
114.10269	0.6
120.08126	0.5
121.02876	0.5
121.06512	0.3
122.09690	0.5
127.03965	0.8
129.10275	0.7
132.10217	1.3
135.04459	0.4
135.11697	0.3
137.05998	2.6
138.06340	1.0
139.77522	0.3
149.06009	0.4
151.03984	0.8
151.07616	0.3
155.11899	0.3
167.11914	0.3
171.18675	0.4
177.05533	0.4
184.05240	0.4
195.15024	0.4
196.13226	0.4
199.08826	0.4
199.18069	26.0
200.43042	0.3
212.05052	0.5
212.07101	1.8
220.08267	0.3
227.17563	12.8
227.19806	0.7
228.06581	1.4
235.07599	0.4
239.07080	0.5
245.18631	6.5
257.06937	1.1
261.10428	0.6
284.05530	2.4
285.06281	5.7
286.07138	1.0
295.06049	0.6
298.11423	0.4
299.08987	0.5
310.11551	0.4
312.08722	7.7
312.12210	0.6
324.20401	0.9
328.12695	0.9
340.08273	1.0
340.12524	0.6
358.09293	15.0
358.13632	1.1
358.18945	2.4
359.09430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05021	0.2
57.07081	6.7
58.06603	0.9
59.07915	0.2
60.04515	0.1
62.06081	0.3
69.07072	0.4
70.06596	12.7
71.08638	2.6
71.25002	0.2
71.25359	0.2
72.08170	0.2
76.03847	0.1
77.32658	0.1
81.07084	0.2
85.10194	1.5
86.06055	0.3
88.07635	16.3
102.09187	4.3
106.08675	8.7
135.97046	0.2
136.90858	0.1
169.92317	0.2
228.57127	0.2
296.33115	0.4
314.34094	1.1
340.35791	6.5
341.35971	0.2
358.36801	100.0
359.37183	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	359.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.5
56.05038	7.4
56.96568	95.7
57.03430	20.7
60.05655	9.5
61.02925	22.4
68.28899	6.0
69.03437	50.3
69.07098	7.6
69.20782	58.3
70.06595	58.4
70.98125	21.1
71.05006	13.6
71.95272	6.3
72.08160	31.5
73.02914	23.1
81.03432	15.1
84.04512	16.3
84.08138	24.4
84.96045	25.8
85.02915	100.0
86.09719	62.4
87.04469	8.1
88.99154	7.4
90.94836	8.5
95.01334	10.3
97.02902	66.6
98.06113	7.7
98.97583	90.2
99.04438	12.3
101.00877	37.9
107.05003	7.1
107.39687	7.4
109.02876	11.5
110.97577	18.3
112.99123	11.0
113.00916	11.9
115.02435	12.5
116.98635	24.1
119.01907	33.6
124.95544	10.8
124.99139	9.6
127.02430	11.9
127.03955	34.5
128.98581	14.8
129.02020	5.7
129.10258	7.4
130.05020	22.9
131.00177	8.0
131.01898	27.2
132.95842	8.4
133.03479	13.5
140.35081	6.3
141.01849	16.5
142.96594	7.3
143.00201	7.8
143.01898	24.8
144.95850	7.0
145.03481	27.9
145.04956	24.4
147.04445	7.4
147.07663	28.0
150.96974	8.9
154.96524	8.6
155.01909	25.3
157.03471	7.5
158.99673	13.3
160.98911	7.8
161.03004	17.4
170.99690	15.0
171.01292	10.6
172.97615	20.1
173.03004	24.0
175.11871	11.5
177.00729	12.1
177.03981	8.5
178.99956	13.4
181.03442	7.7
182.99725	10.2
183.05002	14.5
185.02965	17.2
185.16498	8.2
187.04590	5.9
188.97101	8.7
189.00700	17.5
189.02348	11.0
190.04079	14.1
190.98677	15.7
191.03981	8.6
195.01480	9.8
196.96718	7.2
199.00877	17.9
200.97211	7.6
201.00711	15.6
202.97394	7.3
203.04056	9.9
205.00179	12.0
206.92670	6.9
213.02440	9.1
213.15999	7.7
215.04124	7.3
217.01912	20.2
218.98097	14.3
219.01842	20.4
220.94206	7.0
221.05031	13.6
230.98189	24.2
232.99612	13.4
236.99310	6.7
237.02713	10.5
245.05118	17.1
248.99197	71.7
259.03146	8.8
263.00784	6.7
267.00232	25.1
271.03030	6.6
271.06686	6.7
275.02481	13.9
278.02139	6.1
281.01859	16.7
289.04123	11.7
306.93958	7.6
316.98227	9.6
321.10135	8.6
323.04214	25.8
329.03452	8.0
359.04248	11.7
359.09421	14.6
359.13455	14.4
359.23901	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	359.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46978	2.2
53.03940	7.5
55.01871	10.3
55.05515	13.4
56.37305	2.0
57.03189	2.8
57.03440	31.2
65.03932	3.4
67.05511	13.6
68.99780	4.7
69.03437	100.0
69.07072	12.5
70.14925	4.5
70.15317	6.1
71.01341	8.1
71.04993	13.6
73.02923	3.0
79.05519	13.7
81.03424	69.4
81.07058	11.5
83.04989	63.4
85.02908	33.3
85.06561	3.0
87.00827	8.5
87.04454	4.2
91.05482	6.8
93.07047	3.6
95.01321	3.9
95.04974	26.9
97.02901	41.5
97.06511	3.3
98.21204	5.0
99.04459	14.4
103.05516	3.4
105.07022	4.8
107.04965	10.2
109.02887	32.8
109.06507	3.3
111.04453	47.0
113.06019	10.6
119.04948	4.2
121.06521	5.1
123.04456	13.7
125.02346	8.8
125.06001	5.4
127.03077	3.3
127.03922	27.5
129.05487	5.6
131.04915	3.8
133.06488	2.4
135.04404	6.5
135.08051	2.7
137.05965	17.7
138.06323	5.4
139.03926	5.6
139.07584	2.0
141.05450	4.8
145.06505	3.2
147.04396	3.1
149.05969	4.8
151.03932	10.5
153.05455	6.3
157.04991	22.8
159.06586	4.8
159.08299	2.1
161.05928	6.9
163.07547	5.6
165.05455	6.5
167.07111	4.1
169.04980	2.8
169.87445	2.2
171.02988	2.4
179.06961	3.0
181.04939	3.5
191.07045	4.2
193.05112	4.3
209.08083	2.5
213.03926	7.9
219.06468	2.9
231.05072	3.6
237.07545	5.9
241.74074	2.3
253.08684	2.5
255.08647	11.9
309.11136	4.3
341.08630	15.4
341.13535	3.8
346.80865	2.2
359.09637	5.8
359.13980	4.0
359.19467	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	359.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.4
55.01857	7.9
55.05516	21.7
56.55996	2.1
57.03436	21.1
59.04988	2.7
61.02931	2.8
61.21328	2.2
65.03925	3.6
66.85449	2.7
67.05499	19.7
68.99776	9.4
69.03434	100.0
69.07076	2.4
69.65823	9.5
69.66231	2.8
71.01351	10.6
71.04985	12.0
71.20766	1.7
73.02899	4.0
79.05493	10.7
81.03424	93.5
81.07077	11.9
83.04984	90.7
85.02444	3.9
85.02913	45.9
85.06546	3.7
87.00832	8.3
87.04455	2.5
91.05482	11.3
93.03388	2.4
93.07088	10.7
93.07574	2.1
95.01331	4.8
95.04971	40.4
95.08607	6.8
97.02900	45.6
97.06514	5.8
99.04459	22.7
101.02368	3.1
103.05446	3.8
105.01921	2.4
105.07018	11.0
107.04967	9.5
107.08600	6.2
109.02887	36.7
109.06520	7.0
109.10194	4.7
110.03647	2.5
111.04447	64.7
113.06016	8.2
115.03935	3.1
117.06956	4.8
119.04943	4.4
119.08576	5.5
121.02858	2.9
121.06488	9.6
121.10172	2.9
122.09671	3.4
123.04449	17.8
123.08053	3.0
125.02351	9.8
125.06006	5.7
127.03931	36.7
129.05484	7.6
131.04909	5.4
131.08615	3.3
133.10132	5.3
135.04405	9.2
135.08038	3.6
137.05995	10.4
139.03926	3.6
141.05449	3.4
143.11850	2.0
145.04976	3.2
145.06488	4.5
145.10150	5.6
147.04398	2.8
147.08005	2.9
147.11690	4.2
149.05959	8.1
149.09694	2.3
151.03963	16.2
151.07594	3.3
153.05490	6.0
157.04985	27.0
159.06584	2.9
161.06000	2.7
163.07516	6.9
164.02696	2.2
165.05508	6.2
167.07040	6.5
171.02908	3.3
171.11700	1.9
181.05048	3.4
191.06990	9.0
193.04947	6.7
195.06519	2.6
197.04375	2.3
197.13242	2.4
209.08058	5.0
213.03960	14.5
219.06540	2.7
237.07507	13.9
255.08667	9.6
323.07574	2.5
341.08749	20.0
359.09915	8.6
359.25827	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	359.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.5
55.01865	10.3
55.05525	14.8
55.08273	2.4
57.03437	20.3
65.03946	3.5
66.75242	2.6
67.05520	15.3
68.99788	4.7
69.03436	100.0
71.01350	6.8
71.04998	13.3
71.51287	3.5
73.02905	4.2
79.05512	12.1
81.03426	84.5
81.07029	4.6
83.04993	78.3
85.02911	41.0
87.00825	9.2
87.04467	2.3
91.05494	11.6
93.03436	2.7
93.07050	6.1
95.01241	2.5
95.04980	30.8
95.08609	3.4
97.02901	42.5
97.06564	2.5
99.04467	16.5
101.06020	3.5
103.05466	2.9
104.30782	2.5
105.07023	4.8
107.04961	7.8
107.08624	2.9
109.02892	33.6
109.06515	4.9
111.04449	54.0
113.02335	2.9
113.06016	7.8
117.07069	2.6
119.04953	4.9
119.08590	2.4
121.02832	4.3
121.06507	8.1
121.10175	2.3
122.09645	2.5
123.04446	14.9
125.02357	7.8
125.06020	3.6
127.03925	37.8
129.05476	4.2
131.04982	6.5
135.04428	8.2
135.08040	4.6
137.05972	16.5
139.03894	5.6
141.05508	4.1
145.04987	3.2
147.04431	4.6
149.06009	6.3
151.03914	14.1
153.05495	6.6
157.04977	18.8
159.02924	2.7
161.06018	4.3
163.03835	2.7
163.07605	6.0
165.05482	6.0
167.07036	7.9
177.05522	3.5
179.07091	2.7
181.05000	5.1
191.07076	5.7
213.03961	10.6
237.07542	7.4
253.08656	3.4
255.08730	10.1
294.08691	2.7
341.08768	14.1
359.10043	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	359.1339
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.05525	7.4
56.05033	4.0
69.07065	2.5
70.02979	1.5
70.06598	13.8
71.09492	3.3
72.08163	100.0
75.70763	1.5
83.03030	1.7
83.06107	28.5
84.04057	2.1
84.04513	28.4
84.08147	13.6
86.09713	95.9
97.02911	1.4
101.07129	5.8
104.05309	1.4
110.07211	3.3
112.16759	1.6
113.06004	4.4
116.07083	3.3
118.08665	14.1
123.53397	1.5
125.05961	2.4
129.06616	4.9
129.10214	7.5
131.04904	2.7
132.10239	13.4
137.05988	4.5
138.09172	7.9
141.06619	2.4
151.03932	7.9
151.04965	2.0
152.10747	1.9
155.11760	1.7
157.09868	1.6
157.13364	33.2
167.06999	1.6
169.93297	1.8
172.82738	1.8
175.07549	1.7
175.10777	28.5
179.06963	3.2
182.12892	13.3
183.11301	13.0
185.12848	23.2
196.14526	13.8
197.08093	7.3
197.13013	8.3
200.13982	5.8
210.12326	3.7
213.16148	1.9
214.15543	5.8
224.13963	6.6
228.13443	4.4
231.17079	2.1
239.17639	2.2
242.14963	3.3
284.19675	2.1
341.21970	16.8
359.17035	3.9
359.23804	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	359.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.1
67.05502	2.0
69.03410	2.2
69.07068	2.8
70.06599	29.6
71.50278	2.3
72.08154	10.9
84.04482	3.1
84.08171	10.8
85.02895	2.1
86.09711	55.4
91.05480	9.5
103.05469	56.2
105.07024	4.7
109.06514	1.9
110.07188	3.2
119.04949	6.5
120.08082	1.7
127.03945	2.1
127.08676	8.1
129.10245	9.1
131.04938	100.0
133.06548	2.1
135.04402	1.8
137.02402	1.8
137.06003	16.8
143.11789	7.0
147.04404	7.5
149.05983	2.1
151.07573	3.5
155.08139	3.7
161.05989	7.8
163.07550	24.1
171.11273	4.5
175.07611	3.8
179.07057	2.9
179.11760	3.5
187.07591	3.5
189.12321	5.6
197.12976	3.8
246.14474	4.0
266.54712	2.0
279.10074	2.0
309.11279	2.3
311.12589	2.3
359.16806	5.5
359.23795	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	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59288	2.1
51.69644	2.2
53.03931	5.2
55.01877	5.9
55.05516	5.8
56.37923	2.6
57.03424	4.3
65.03986	2.8
67.44965	2.2
69.03430	3.1
69.07057	4.2
69.24876	6.6
69.25278	18.3
70.06597	2.7
70.83425	2.6
72.08170	13.5
79.05498	8.4
81.03439	4.0
81.07043	4.2
83.04961	3.5
84.08138	3.3
85.02923	2.9
86.09730	13.3
91.05485	29.2
93.07049	5.8
94.04184	3.4
95.04968	4.3
98.21513	5.5
103.05473	58.8
105.03395	4.6
105.07039	11.8
107.04965	73.1
109.02895	3.8
109.06517	3.8
111.04410	4.3
115.05463	2.8
117.07024	2.8
119.04948	25.6
121.02914	6.3
121.06515	7.3
122.03693	8.5
123.08089	3.1
127.03874	3.5
128.06230	3.2
129.07010	3.0
131.04942	100.0
133.02896	4.6
133.06511	6.2
135.04451	2.9
137.05991	99.1
144.05684	2.9
145.06468	4.5
147.03429	3.2
147.04427	22.3
147.08037	6.0
149.05994	14.0
151.07570	13.6
153.05431	4.4
159.07982	4.4
160.05191	5.9
161.06001	31.8
162.06787	7.3
163.07562	28.3
165.05603	2.8
165.07062	4.7
167.07051	10.5
171.04277	3.6
172.05196	3.7
173.06081	4.2
175.03899	6.9
175.07578	24.7
179.07091	14.2
179.08482	4.0
181.06503	3.9
182.85854	3.1
187.07559	17.3
191.06979	4.1
191.08563	3.7
193.04974	4.8
193.08598	6.3
194.07237	3.6
200.18472	3.3
203.08556	5.7
205.08604	12.4
219.08130	7.9
221.05968	3.6
227.07231	2.7
231.08101	5.2
235.05934	13.9
240.07814	4.1
247.07610	4.5
249.09268	4.8
251.10645	5.5
253.08607	3.0
263.10504	2.6
266.09631	2.8
268.07462	4.2
279.10181	7.8
281.08279	4.6
281.11929	3.0
291.10071	4.2
296.10315	4.8
299.09122	9.2
309.11295	6.8
313.10562	3.1
329.10272	5.8
329.13824	3.4
341.10205	22.4
341.13660	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	359.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01344	2.2
55.01873	5.0
64.09441	2.0
65.03922	3.6
69.03422	6.5
70.06602	5.4
71.30228	2.3
71.51033	4.5
73.80090	2.4
79.05494	8.9
81.03412	8.2
81.07041	7.5
83.04995	4.0
84.08127	2.7
85.02906	5.3
86.09709	21.5
87.10054	7.3
91.05489	32.5
93.07039	6.4
93.87022	2.3
94.04170	3.3
95.04951	5.9
97.02902	3.2
103.05476	34.1
105.03436	3.9
105.07034	10.8
105.98380	2.4
107.04932	11.4
108.05821	2.1
109.02850	4.4
109.06524	7.1
111.04442	6.4
115.05480	5.8
117.07010	4.4
119.04956	31.9
119.08559	4.1
121.06497	5.1
122.03656	9.4
123.08051	4.1
127.03953	4.3
129.06979	4.1
131.04933	48.6
133.06497	7.6
135.04396	4.3
136.05148	2.4
137.05980	100.0
145.06503	3.0
147.04427	16.7
147.08032	4.1
149.06010	13.5
150.06769	3.4
151.03906	3.9
151.07576	10.4
159.08102	4.9
160.05252	5.4
161.05984	29.6
162.06776	9.1
163.07536	11.7
166.12868	2.4
175.07568	21.8
177.09224	2.6
179.07008	7.8
187.07555	12.7
191.08636	5.4
193.08644	6.3
197.11642	3.5
200.18434	3.9
203.08604	3.2
205.06755	4.2
205.08549	16.1
211.07480	2.6
217.08594	3.9
219.08038	10.4
231.08102	6.4
233.18924	2.3
247.07700	4.4
251.10680	5.6
253.08575	2.2
259.07391	3.2
275.76373	2.7
278.90253	2.2
279.10147	9.5
281.08054	3.3
291.10208	4.2
296.10373	2.5
309.11102	5.3
311.12686	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	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03948	0.9
53.04232	0.7
55.01860	1.0
55.05503	1.2
57.03439	1.3
61.02922	2.0
67.05521	1.0
69.03452	4.5
69.07025	1.0
70.06595	5.0
71.30917	1.0
72.08144	1.7
72.62009	0.6
79.05486	2.2
81.03416	2.8
81.07043	2.5
83.04968	1.5
84.08141	2.2
84.30327	0.7
85.02909	11.4
86.09229	1.1
86.09713	14.8
87.91468	0.8
88.03950	0.8
91.05475	4.4
93.07046	5.4
95.04984	1.4
95.08623	1.3
97.02895	2.2
97.06556	0.7
105.07040	7.6
107.04979	1.1
107.08599	35.0
109.02873	1.8
109.10142	2.2
110.07158	1.7
111.04459	1.0
119.04904	0.9
119.08587	5.8
121.06501	1.4
121.10131	6.5
127.03905	2.4
129.10233	2.1
131.08598	0.7
132.10225	0.8
133.10132	20.5
137.05980	3.6
137.09589	1.2
138.06303	1.6
139.07544	1.7
143.08595	1.2
143.11835	1.6
145.04936	1.2
147.04387	0.7
149.09639	4.4
151.11221	6.3
159.95045	0.9
161.06088	1.0
161.09621	5.7
162.43335	0.8
163.07512	0.9
167.07060	1.3
167.10696	14.4
171.11365	1.2
179.10666	16.5
183.11320	0.8
189.12323	1.4
197.11745	100.0
198.12128	2.4
200.13963	2.4
201.12332	1.1
228.13470	1.3
254.38847	0.8
340.96198	0.9
357.25836	0.9
359.07733	0.9
363.44006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
61.02919	2.7
69.03432	7.4
69.07069	3.2
70.06596	1.8
70.55939	2.6
70.56310	2.6
72.99020	1.3
73.02913	1.5
81.03426	3.7
84.08175	1.8
85.02908	23.0
86.09718	23.9
87.05605	1.5
91.05477	4.5
93.07029	7.0
95.04961	3.2
97.02905	4.5
99.04460	1.9
103.05486	2.6
103.14474	1.4
105.07040	8.6
107.08599	22.1
109.02903	3.2
109.06528	2.4
109.10187	1.9
119.08597	2.3
127.03946	3.5
131.04929	2.3
132.10246	1.6
133.10146	21.8
135.11690	19.2
137.09572	1.6
141.10258	3.6
145.04919	1.5
151.11284	2.4
153.57954	1.3
155.11856	3.1
161.09647	11.8
179.10686	37.9
179.12190	2.1
183.11313	3.2
197.11751	100.0
198.12209	1.9
200.13930	12.5
212.39778	1.4
228.13435	5.2
246.14453	1.4
290.94217	1.7
348.22192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	8.2
56.05035	2.4
57.05816	1.1
60.04500	0.8
67.05502	0.7
67.27579	0.7
69.07080	2.2
69.93635	3.4
70.06594	7.5
72.08160	100.0
73.08514	1.2
83.06113	18.1
84.04514	18.2
84.08150	8.5
85.02921	1.1
86.09713	98.5
86.32966	0.6
87.10046	0.8
101.07155	3.4
102.05563	1.6
103.05450	1.1
110.07171	1.8
110.09631	0.7
113.06001	2.5
116.07106	2.4
118.08674	7.1
121.06442	0.7
125.06034	0.9
127.47217	0.7
127.62035	0.7
129.06595	3.6
129.10251	6.4
131.04915	2.0
132.10220	14.4
137.05971	2.6
138.09161	7.8
143.11797	1.3
147.11266	0.7
151.03925	2.7
152.10736	1.7
155.11795	2.4
157.13379	36.7
169.13354	1.1
175.10796	34.1
182.12892	14.4
183.11316	12.8
185.12877	30.6
185.16444	2.8
191.07039	2.5
196.14383	3.4
197.08070	1.2
197.12953	4.5
199.18083	1.8
200.13957	5.9
201.12480	0.9
210.12456	5.0
211.10805	2.0
214.15523	1.6
215.13896	2.7
224.13965	1.8
225.12314	1.1
228.13385	2.9
231.17047	1.0
239.17546	2.4
242.15036	1.5
284.19553	2.5
290.59531	0.7
301.12625	1.3
341.21887	10.2
359.16919	4.9
359.23523	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	359.229
Annotation	Val Gln Leu
Peak:m/z	Relative Intensity
51.58803	0.4
53.03952	0.5
55.05268	0.6
55.05516	8.2
56.05032	1.5
57.05828	0.6
64.90793	0.4
69.07063	0.7
69.92865	2.1
70.06593	3.1
72.08160	100.0
73.08475	0.6
77.78323	0.4
83.04974	0.7
83.06110	7.7
84.04508	13.4
84.08150	3.3
85.02917	0.9
86.09712	15.9
101.07164	2.7
102.05602	1.0
103.05490	0.8
110.07229	0.4
110.09708	0.6
112.08724	0.5
117.10262	18.9
124.08718	0.4
129.06639	1.0
129.10234	2.5
130.06538	1.0
131.04944	1.0
132.10208	6.0
135.05045	0.4
137.06023	0.8
138.09160	1.2
149.06012	0.6
152.07085	3.5
152.07974	0.4
155.11772	0.5
157.07607	0.5
171.09190	0.4
183.11389	1.7
194.08147	3.6
196.14508	1.5
197.12888	4.9
197.30431	0.4
200.13950	2.1
201.12381	1.5
211.10773	10.4
211.12601	0.6
228.13448	24.3
238.45644	0.4
242.15013	9.4
243.13397	4.7
260.16110	4.4
264.45422	0.4
342.20358	1.4
359.17023	1.7
359.23141	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2291
Annotation	Leu-Leu-Asn
Peak:m/z	Relative Intensity
55.05508	2.1
56.05022	0.7
57.05806	0.3
60.04533	0.4
67.05500	0.5
69.03426	1.0
69.07068	9.2
70.06596	6.4
71.04994	0.4
71.50497	0.3
71.50905	0.6
72.08157	21.3
75.05602	2.9
79.05464	0.5
81.03430	1.0
81.07038	0.3
83.06098	0.6
84.04500	2.3
84.08145	6.3
85.02898	0.5
86.09708	100.0
87.10014	0.8
88.04018	0.4
91.05485	0.8
93.07052	0.5
95.04958	0.5
102.05550	0.9
103.05482	2.6
105.07035	0.5
107.04978	0.4
107.08640	0.7
109.02905	0.6
109.06521	0.4
110.07164	1.0
112.08783	0.6
114.05540	0.4
116.07092	1.0
117.10268	1.3
118.23634	0.3
119.04934	0.6
120.08090	0.6
123.04459	0.4
127.03928	0.5
129.06596	0.4
129.10243	4.0
130.04993	0.3
130.06535	0.4
131.04936	4.7
132.10223	1.3
133.06537	0.5
133.10156	0.5
134.04541	0.9
136.83698	0.3
137.06012	1.4
143.11801	16.2
147.04402	0.6
151.03981	0.5
152.07111	0.3
157.09645	0.3
161.06102	0.6
163.07570	1.2
167.07091	0.6
171.11290	12.3
172.11636	0.4
175.07591	0.5
179.07002	0.4
183.11287	0.5
189.12354	12.7
197.11720	1.3
197.13240	0.5
200.13948	0.5
201.12352	1.6
211.10759	0.4
217.13742	0.6
221.06126	0.4
228.13409	2.4
229.11850	1.3
231.07988	0.4
239.17633	1.5
242.15088	1.0
243.13470	0.9
246.14526	4.5
260.16202	0.6
284.19708	2.3
324.20001	0.4
357.65945	0.4
359.07516	0.4
359.16714	4.6
359.23221	2.2
360.17072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.4
57.03439	4.9
57.07081	67.1
67.05511	19.2
69.07077	20.9
70.06599	6.8
71.08632	51.6
79.05524	3.4
79.85248	2.5
81.07067	37.0
83.08617	17.1
85.06536	2.9
85.10183	27.6
88.07641	9.5
93.07063	7.6
95.08618	54.9
97.10176	16.9
105.07039	3.8
106.08697	4.3
107.08625	5.1
109.10170	24.6
111.08123	2.7
111.11732	9.9
119.08609	6.4
121.10166	4.0
123.11737	12.6
127.62035	2.5
133.10164	4.4
135.11690	3.6
137.13248	5.9
149.13280	3.1
157.09848	2.4
159.11740	4.6
161.13257	4.1
193.01747	2.8
193.64162	2.6
194.99586	4.7
196.97528	2.7
197.01181	24.0
209.01172	4.4
210.99168	9.5
211.02742	60.6
212.44583	2.7
213.00662	37.5
227.02226	99.0
228.02231	4.6
229.00165	100.0
240.56590	2.4
247.01250	17.6
250.03835	3.5
252.01819	6.8
267.26956	6.2
267.53885	2.5
279.09055	8.3
285.27795	4.1
295.08478	4.0
341.30515	47.0
341.36435	4.3
359.18906	62.5
359.29797	3.4
359.37170	66.1
360.18741	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	360.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85052	0.9
65.03919	1.2
65.86200	0.9
69.44611	3.0
69.45029	4.0
85.02890	2.7
91.52928	1.1
98.20817	1.8
100.61969	0.9
121.02862	1.7
133.02864	2.4
135.04364	2.2
145.04958	1.2
149.02348	100.0
150.02715	1.4
163.03912	64.5
181.03394	2.0
181.04953	23.6
181.06526	1.8
262.76224	0.9
324.54102	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.5
54.80328	1.9
56.05030	3.0
57.62084	2.0
69.03429	5.2
69.07069	6.4
69.27341	3.8
69.27743	14.0
70.06590	19.2
72.08164	28.0
73.08498	5.1
74.06061	2.4
84.04520	6.1
84.08142	20.0
85.02898	11.7
86.09710	100.0
87.10043	15.0
97.02882	2.9
99.04446	2.7
103.05479	39.3
107.04911	2.8
108.26921	2.1
109.02913	2.8
110.07179	6.2
116.07117	5.1
117.03373	3.4
118.08720	2.1
120.08107	4.0
127.03922	3.4
129.10239	10.4
131.04933	87.4
132.05319	2.5
135.04414	6.8
137.05974	7.8
143.11826	8.9
144.12105	3.5
145.05057	3.3
152.10777	2.4
157.13431	5.0
158.13812	2.5
163.03917	35.0
163.07542	28.6
171.11278	3.4
172.11714	3.0
175.10760	3.7
180.08842	3.0
180.10101	9.7
180.30974	2.2
181.04962	8.0
185.16388	3.0
186.13228	2.7
189.12294	3.3
190.12630	2.6
198.11237	12.5
199.18076	20.3
201.08894	2.0
209.61649	2.2
227.17563	7.4
247.12958	2.9
290.53806	2.2
345.76508	2.3
360.17291	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	360.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
56.05029	2.4
57.03426	0.6
58.55690	0.5
64.45901	0.5
64.46230	0.6
68.99763	0.5
69.03437	1.5
69.07076	6.6
69.38123	3.3
69.38554	1.2
70.06584	2.0
71.04980	0.6
72.08172	1.0
74.06077	9.8
81.03423	2.5
83.04955	1.5
84.08147	1.0
85.02907	1.2
86.09706	100.0
87.10005	0.7
91.05467	1.0
95.04941	0.7
97.02923	0.9
98.06073	1.5
99.04443	0.7
103.05391	0.6
104.07106	2.9
109.02901	3.1
116.07075	1.4
119.04963	0.7
120.08135	0.7
126.05530	3.8
127.03925	0.9
131.04897	0.6
132.35524	0.6
147.04468	0.8
149.02379	1.2
186.19743	0.5
187.03860	1.3
193.88759	0.6
195.11290	1.5
201.12531	1.4
201.36784	0.5
211.07642	0.6
211.14432	1.4
217.15463	7.3
222.32573	0.5
229.11784	0.8
239.13902	7.5
240.06625	2.1
243.02960	1.7
255.08876	3.8
257.15048	0.8
258.07840	1.3
261.03943	1.1
272.09091	0.7
288.12439	2.2
307.81140	0.6
323.60007	0.5
330.09766	2.9
333.07693	1.5
360.14380	10.6
361.06970	9.9
361.14200	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2127
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
61.12103	0.6
69.07057	1.5
70.02947	1.6
70.06582	2.5
70.76202	1.5
70.76553	1.2
72.08138	1.6
73.02908	5.3
84.08147	1.7
85.04028	1.4
86.09708	83.9
87.15026	0.8
88.03993	9.2
96.08129	2.9
98.02412	3.5
100.03979	5.4
113.10764	2.7
120.08118	0.9
129.10231	0.9
132.10226	8.1
138.09146	6.3
141.10225	12.5
142.08591	1.4
155.11761	1.3
156.10194	11.6
166.08662	1.7
183.11311	7.1
184.09731	3.3
201.12347	100.0
212.07198	1.0
229.11862	18.8
240.06509	0.9
245.18678	1.5
255.08858	2.0
288.12158	1.0
330.09726	1.6
360.14481	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	360.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91628	0.6
56.05027	0.8
68.43422	0.6
69.03411	0.7
69.06693	0.7
69.07071	13.2
70.02956	2.3
70.06592	5.8
70.79668	1.9
71.04991	0.9
72.08144	1.6
73.04057	0.9
81.03413	0.7
84.04462	0.8
84.07650	0.8
84.08154	2.7
85.02895	1.5
85.04040	0.9
86.09711	89.8
87.10044	1.7
88.03484	1.4
88.03994	15.2
91.05486	3.6
96.08145	5.4
98.02406	3.6
109.02908	1.0
109.89309	0.7
110.09698	2.2
112.07690	0.8
113.10793	2.1
115.05004	0.9
115.08666	0.6
116.07053	0.7
120.08050	1.1
124.07635	0.7
127.03944	1.0
128.10730	2.7
129.10246	1.3
132.10196	7.4
133.06091	2.2
135.59053	0.6
137.06006	1.0
138.09164	1.7
141.10249	10.6
142.08620	1.9
144.12067	0.7
149.02370	6.6
155.11841	1.5
156.10214	18.2
163.03914	4.3
166.08652	1.5
171.04501	0.6
179.06979	1.0
181.04971	1.5
183.11295	5.0
184.09700	2.4
188.07060	0.8
194.04875	0.6
200.13972	1.6
201.12355	100.0
212.09189	1.1
229.11844	18.6
229.13969	1.3
244.21504	0.8
247.12856	1.8
279.08643	1.2
337.56427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2131
Annotation	Glu Val Ile
Peak:m/z	Relative Intensity
54.88866	1.1
55.05515	9.4
56.05029	4.1
61.01149	1.4
67.26653	1.2
69.07060	1.9
70.06590	14.2
71.02783	2.1
72.08157	100.0
73.08472	5.4
84.04504	39.5
84.04926	0.7
84.08131	4.5
85.02876	1.7
85.04817	1.5
86.09710	67.0
87.10041	1.6
93.29997	1.0
102.05545	22.9
104.05319	1.6
110.09689	2.0
116.07092	7.0
117.10278	3.3
118.08655	4.8
118.10584	1.3
120.08139	1.4
129.06560	1.5
129.10277	1.4
132.10210	49.5
138.09137	15.3
155.11810	3.2
156.10205	9.0
183.11293	42.2
183.14810	1.4
197.12776	3.0
201.12346	43.2
201.14211	2.5
211.07550	1.0
211.10780	12.0
215.13925	5.5
217.13623	5.1
228.13492	1.7
229.11795	13.1
229.13675	1.5
231.17050	3.8
243.13353	2.8
245.12874	1.7
360.17273	1.5
366.25836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.213
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
53.80199	0.7
55.05520	8.4
56.05038	1.9
57.05816	0.9
59.52575	0.6
70.06599	1.5
71.06208	1.8
72.08159	98.2
84.04504	7.7
84.08150	8.4
85.02905	2.5
85.08488	2.0
86.09711	100.0
97.02902	1.5
102.05542	3.4
107.04948	5.2
127.03909	1.2
129.10266	4.7
130.05005	4.1
130.10576	1.7
132.95383	0.7
137.05960	0.8
138.05554	3.0
148.06055	13.5
185.16504	61.2
213.15990	27.6
218.55200	0.9
243.13362	0.8
261.14465	15.2
292.04828	1.2
305.44882	0.8
370.60782	0.8
370.99304	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1283
Annotation	Abruquinone A
Peak:m/z	Relative Intensity
53.03940	5.3
55.01875	4.3
55.05515	4.9
67.05496	3.9
69.03423	11.0
69.07073	5.0
70.06606	2.9
71.04993	3.0
71.50895	2.4
78.04726	3.0
79.05496	24.6
81.03423	2.8
81.07037	10.7
83.04962	4.5
85.06559	3.6
91.05486	19.4
93.07036	10.6
95.04960	8.8
95.08588	10.0
95.16936	2.2
97.06516	3.1
99.04469	3.1
103.05478	11.3
104.64668	2.5
105.07059	14.2
107.04294	4.3
107.04967	53.2
107.08610	6.2
109.06493	5.5
109.10160	4.6
111.04419	4.1
117.06966	2.6
118.04117	2.6
119.04937	6.3
119.08575	7.6
121.06508	13.7
121.10132	6.8
122.03574	2.9
123.04434	5.5
123.08070	6.8
123.11623	2.6
124.05185	6.6
125.05991	4.9
125.09646	6.6
129.06961	2.8
131.04939	22.7
131.08574	6.0
132.05670	5.0
133.10155	5.7
135.08066	4.6
137.05969	13.5
141.06995	5.4
142.07753	3.5
143.08540	3.7
145.10085	7.2
146.03598	3.2
146.40146	2.3
147.08069	5.3
148.05286	2.5
149.05991	8.5
149.09592	5.7
151.03880	3.0
151.07567	6.9
152.04655	4.8
152.06190	8.6
153.05476	4.1
153.06952	2.9
155.08545	4.1
159.11783	4.0
161.05978	13.6
161.09521	3.4
165.05565	5.7
165.06999	21.1
166.07765	6.7
167.07077	100.0
167.08542	14.4
168.05652	3.2
169.06476	5.4
169.10193	4.6
171.08128	3.3
171.11736	3.9
173.09695	2.8
176.04704	2.7
177.05566	5.2
177.07030	10.9
179.07054	2.9
180.05652	5.5
181.06467	9.1
182.07191	3.6
183.08012	13.3
185.13297	4.2
189.05510	11.9
191.05386	3.7
191.07001	25.2
192.07835	10.3
193.06473	4.8
194.07237	7.8
195.08057	35.7
196.05261	3.7
197.05989	9.4
198.06601	3.2
199.86649	2.5
201.12602	2.6
205.06432	4.8
208.05261	6.4
209.05902	5.1
209.09669	3.0
210.06772	3.8
211.07552	14.5
212.08356	4.8
221.05869	4.2
222.06792	9.2
223.07536	28.1
224.08263	5.5
225.05370	6.5
236.04709	5.0
237.05498	3.6
237.09100	8.0
238.06232	3.5
239.07016	8.3
240.07843	12.9
241.08507	4.9
243.10236	3.0
251.07014	21.3
252.07759	4.2
253.04979	3.0
253.08647	7.4
255.10187	23.4
257.07819	2.8
265.08621	8.3
267.06482	5.7
268.07260	8.4
269.08041	7.7
271.09698	7.0
279.06525	7.8
283.09656	71.8
284.10391	12.4
285.07843	2.9
299.09091	9.5
303.12231	3.1
311.09149	20.0
314.11426	7.2
315.12250	34.5
316.09424	6.8
329.11755	3.0
331.11792	11.1
343.00378	3.1
343.11877	22.4
361.14063	8.4
361.20004	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	361.1393
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
53.29477	1.2
55.05500	1.9
56.05018	5.2
56.96563	4.5
57.03427	2.8
57.07464	1.5
60.05664	1.3
63.37109	1.4
69.03406	5.0
69.07061	3.2
70.02947	2.0
70.06596	17.6
71.04994	2.7
71.50368	2.1
72.08163	12.9
72.89014	1.4
73.02922	1.5
74.06083	8.6
75.05553	1.8
81.03407	2.2
83.06116	13.5
84.04514	17.8
84.08147	12.8
84.35386	1.2
85.02914	10.5
86.06080	1.4
86.09711	44.9
87.05602	2.1
87.10040	3.9
88.03976	4.7
89.03812	1.7
90.94827	1.5
91.05479	1.6
97.02892	4.1
98.97600	8.9
101.06038	3.2
101.07150	3.3
102.05532	4.6
103.05477	1.7
107.04960	5.3
110.06014	1.4
110.97596	1.6
111.04391	1.5
112.08739	2.3
113.07153	2.0
115.08743	1.5
116.07095	2.0
116.98618	2.2
119.04898	1.6
120.06603	12.8
120.08103	3.0
127.03932	3.4
128.98604	2.0
129.06599	4.5
129.10243	9.2
132.95853	1.9
137.05954	4.0
141.06673	2.5
143.11725	1.9
147.07639	1.8
148.06075	1.7
152.10713	2.3
155.08542	2.5
158.09256	1.6
158.97440	2.9
159.11272	3.6
162.96953	1.6
165.06992	8.2
166.07599	1.6
167.08537	1.4
169.06416	2.9
175.11909	4.4
178.07816	4.8
179.07100	1.7
179.08585	19.1
181.06516	3.2
183.08052	24.5
185.16414	1.5
186.16922	1.7
189.07079	2.4
190.07718	1.8
191.08502	4.2
193.06537	4.7
194.07234	2.7
195.08102	3.7
196.14455	10.3
197.05952	3.0
197.12862	9.3
199.10832	2.6
201.12384	1.5
206.09718	2.0
207.08064	53.8
209.09627	4.2
210.09137	8.7
211.07553	16.6
214.15543	3.9
217.06529	6.7
219.01701	2.7
219.08058	2.0
221.05899	9.0
223.07495	3.6
224.13927	5.9
225.12379	3.9
230.07790	2.4
234.09111	2.7
234.98990	5.3
235.07556	100.0
236.07979	2.0
236.10678	3.5
237.02808	2.5
237.09177	10.2
238.08705	4.5
239.04593	3.1
239.07045	58.5
240.07544	1.7
242.15042	2.7
252.10207	70.8
253.08536	4.1
259.00018	1.7
263.07089	9.3
267.06461	2.2
275.02176	3.7
280.09732	13.9
280.12650	2.8
281.08121	52.9
282.11426	1.9
284.09088	6.7
297.09192	2.6
297.12357	40.3
298.10757	71.9
298.13654	2.5
309.07321	2.0
315.13422	12.6
321.08377	1.7
326.10336	11.3
326.16937	3.8
327.08545	2.3
343.12946	56.1
343.19101	7.2
344.11264	4.3
344.18042	1.6
361.09668	1.8
361.14301	28.3
361.21701	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	361.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04521	3.5
61.98236	3.1
69.03424	6.8
69.18280	19.9
69.18710	16.9
70.06596	8.3
72.08147	5.5
79.05496	7.2
84.08161	9.0
85.02895	6.3
86.09715	31.7
87.10035	9.6
91.05456	7.8
93.07037	14.9
95.04956	4.1
97.06610	4.3
107.04929	3.9
110.07150	10.3
121.06519	18.7
123.08025	10.7
134.27382	3.6
137.05948	12.2
139.07516	13.2
141.24590	3.3
144.06618	7.4
149.05997	14.8
156.07669	7.5
161.09253	7.9
167.07045	100.0
173.12915	5.2
199.09668	26.1
223.07530	4.0
229.64394	3.5
361.10892	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	361.1494
Annotation	Cachineside I
Peak:m/z	Relative Intensity
55.01875	4.8
56.05028	5.3
60.04563	4.1
61.30253	3.7
66.06242	4.6
69.03419	7.3
69.53655	3.6
70.06586	21.4
72.08151	9.4
74.06101	9.4
79.05485	13.7
81.03390	5.8
81.07082	4.6
83.04964	4.0
84.04488	19.6
84.08146	23.5
85.02911	17.8
85.06521	3.7
86.09711	46.7
91.05500	10.5
93.07041	16.3
97.06509	5.8
102.05559	4.5
102.09212	9.8
107.04965	4.6
110.07175	47.5
116.07100	5.4
119.03564	4.0
121.06506	18.4
123.08020	8.3
127.03928	6.7
129.10255	13.2
137.05975	30.3
139.07549	13.1
144.06573	20.5
147.04312	5.4
149.06007	5.7
151.03929	4.3
156.07692	23.1
159.11235	4.5
161.05986	6.1
161.09230	26.8
165.09090	5.2
167.07037	100.0
173.12865	8.7
199.09639	26.4
215.09323	4.7
264.14716	4.5
316.13156	6.1
361.14633	9.2
362.13547	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	361.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
56.05028	5.3
60.04563	4.1
61.30253	3.7
66.06242	4.6
69.03419	7.3
69.53655	3.6
70.06586	21.4
72.08151	9.4
74.06101	9.4
79.05485	13.7
81.03390	5.8
81.07082	4.6
83.04964	4.0
84.04488	19.6
84.08146	23.5
85.02911	17.8
85.06521	3.7
86.09711	46.7
91.05500	10.5
93.07041	16.3
97.06509	5.8
102.05559	4.5
102.09212	9.8
107.04965	4.6
110.07175	47.5
116.07100	5.4
119.03564	4.0
121.06506	18.4
123.08020	8.3
127.03928	6.7
129.10255	13.2
137.05975	30.3
139.07549	13.1
144.06573	20.5
147.04312	5.4
149.06007	5.7
151.03929	4.3
156.07692	23.1
159.11235	4.5
161.05986	6.1
161.09230	26.8
165.09090	5.2
167.07037	100.0
173.12865	8.7
199.09639	26.4
215.09323	4.7
264.14716	4.5
316.13156	6.1
361.14633	9.2
362.13547	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	362.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
56.05030	0.9
67.05507	0.4
67.50945	0.4
68.05046	0.3
70.06600	0.9
71.69820	0.3
72.08144	0.6
79.35687	0.3
81.04553	1.3
82.05330	0.8
83.06110	10.7
84.04496	0.8
84.08129	0.6
86.09724	1.8
87.05603	0.4
90.16815	0.3
91.05489	11.3
93.04539	6.8
93.07049	0.5
95.06106	5.6
97.02882	0.4
98.20643	0.8
110.07175	100.0
111.05573	12.3
115.05465	1.1
117.07024	3.8
120.05650	0.4
122.07173	0.4
132.04634	0.3
136.05104	1.7
145.06491	0.9
147.04465	0.5
156.07698	27.4
161.06018	0.8
162.07639	0.6
166.06148	0.8
167.24019	0.3
171.04454	1.4
173.12872	1.2
179.07114	0.4
187.08957	0.4
235.07735	0.5
241.07617	0.4
249.07660	0.5
253.08557	0.4
254.12985	1.1
280.10800	3.3
282.12366	1.0
298.11929	2.6
299.09311	0.7
300.13562	0.6
302.11432	0.4
304.64935	0.5
316.12949	16.2
317.13287	0.6
326.11301	1.1
344.12442	5.9
362.13486	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	363.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	8.9
56.05033	21.1
61.01154	8.0
68.05045	6.5
69.03416	7.3
70.06606	16.2
70.94981	9.2
72.08162	100.0
72.93794	8.1
74.06096	43.6
74.47015	6.5
74.99912	4.6
75.06393	6.6
79.92901	6.2
84.04501	36.4
84.08152	19.8
85.02907	14.7
85.04834	8.3
86.09708	47.4
87.10049	14.1
97.02904	6.8
99.05604	7.4
101.07134	6.9
102.05557	13.8
104.05284	6.1
110.07161	16.0
112.07603	6.3
113.07159	39.3
113.07814	6.4
129.10292	15.4
132.08066	8.1
132.10204	18.6
132.95850	12.8
133.10573	13.1
140.07059	21.6
141.07425	22.0
144.95879	6.5
145.24181	5.4
158.97412	17.8
161.07426	9.7
169.06853	5.3
175.10793	15.6
184.15521	5.8
186.09404	6.0
187.08885	7.8
189.06976	12.3
201.01675	8.3
201.05325	38.8
203.10286	17.2
204.10631	23.2
213.09084	6.3
231.09801	10.4
232.10178	20.9
234.99011	20.7
237.02667	13.3
243.32031	5.6
261.93637	6.2
295.04797	8.3
363.10883	45.2
363.15662	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	364.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74574	2.2
53.03944	4.6
55.01877	17.8
55.05503	6.0
57.03454	4.4
57.07073	8.5
62.93341	2.4
67.05499	7.9
68.77249	2.7
69.03435	17.0
69.07063	9.6
70.02953	8.1
70.06586	9.4
71.04965	3.5
71.50830	4.4
72.04523	29.9
72.08160	34.1
73.02921	10.7
73.60595	2.1
79.05479	3.5
81.03426	19.6
81.07041	3.2
83.04984	5.4
84.08137	3.8
85.02908	18.9
85.06531	10.3
86.09715	5.7
87.08057	2.7
90.05055	4.3
90.05565	61.4
91.05526	2.9
91.18982	2.3
93.07059	3.1
95.04958	10.7
97.02896	15.2
98.02439	21.6
99.04452	9.2
100.03994	5.8
103.07580	5.3
109.02901	21.5
113.05992	9.6
116.03446	25.0
120.08101	10.7
124.07601	27.1
127.03966	13.6
130.08705	3.7
131.07028	3.8
132.06613	5.5
142.08650	15.2
145.05002	5.0
147.04405	2.6
158.51309	3.4
160.09671	8.7
166.08617	5.0
167.10675	3.5
171.14931	9.5
172.09724	3.2
174.11263	8.1
184.09700	36.3
187.06001	4.0
188.04237	2.6
198.07597	3.0
199.04216	3.0
199.05977	12.7
199.14493	5.7
202.08830	5.4
202.10756	100.0
203.11415	3.6
203.59190	3.0
211.09651	8.6
216.08759	4.7
217.07124	8.8
220.11821	38.8
230.10242	6.1
234.09770	28.0
243.02910	8.2
244.03188	14.5
244.11739	3.9
261.03983	6.1
262.04309	13.8
262.12720	13.4
310.13074	3.7
328.13861	22.9
346.14929	13.6
364.09073	8.7
364.16028	23.6
371.99478	2.9
374.97549	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	364.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01884	2.0
55.05516	27.5
56.05820	0.4
56.57602	0.4
57.03445	0.8
57.07082	2.1
58.33117	0.4
59.05003	0.5
60.08168	4.1
65.03953	3.1
67.05508	65.6
69.03458	1.0
69.07074	25.8
69.74200	1.3
69.74609	0.9
71.04996	2.3
71.07369	0.5
71.08643	0.7
73.02920	2.7
73.06535	0.5
79.05010	1.0
79.05151	0.7
79.05499	42.1
81.07063	52.5
83.05009	1.1
83.08626	9.5
85.06545	1.3
86.09715	1.8
91.04901	0.7
91.05489	16.9
93.07050	47.0
95.04965	2.8
95.08614	35.7
95.09237	0.7
97.06552	1.4
97.10181	2.8
98.20838	0.9
99.04461	3.1
99.08097	0.8
101.06016	0.5
105.04524	1.5
105.07038	10.0
107.08604	25.1
109.06541	1.5
109.10162	12.4
110.94733	0.4
111.08105	1.2
113.06004	0.5
117.07014	1.6
119.06074	0.5
119.08590	6.3
121.06512	0.4
121.10156	13.5
123.08126	0.6
123.11710	2.6
125.09644	0.5
131.08562	2.5
133.10138	4.1
135.08073	0.6
135.11702	6.1
143.08571	0.9
143.80341	0.4
145.10123	2.3
147.11703	2.5
148.07642	0.8
149.07936	0.5
149.13272	4.5
158.12531	0.4
159.11703	1.3
161.13333	1.1
163.14854	1.9
171.11736	0.6
173.13341	0.8
175.14813	0.4
235.16823	0.6
258.16977	0.4
277.21353	0.6
305.24768	84.0
306.25073	1.7
310.93958	0.4
364.32114	100.0
365.24838	0.5
365.32510	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29459	0.6
61.05220	0.8
69.18459	7.6
69.18817	1.1
69.54535	0.7
70.06556	1.0
81.03355	0.8
85.02881	0.8
86.09648	0.8
91.92984	0.8
112.15269	0.7
171.00568	2.2
178.97179	0.7
185.04228	5.8
203.03177	100.0
204.03531	1.3
221.05072	0.9
273.09760	0.6
365.08578	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	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91737	0.4
69.78586	0.3
69.86308	1.3
69.86729	0.7
98.93174	0.3
99.78889	0.4
108.45886	0.3
163.81783	0.3
166.87411	0.3
185.04237	25.6
203.05287	50.7
208.93002	0.4
242.49106	0.4
245.05023	0.5
266.02658	0.4
365.10590	100.0
366.10995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01880	5.0
55.05516	3.9
56.05028	2.6
57.03433	1.6
58.99588	2.9
67.01855	0.9
67.05508	5.9
68.04997	1.4
69.03423	4.3
69.07070	2.9
69.33134	0.8
70.06587	2.3
70.31364	2.9
71.04995	2.0
76.02228	1.8
79.05499	20.6
79.38902	0.7
81.03426	9.6
81.07062	16.0
82.06580	2.8
83.04987	1.4
83.08615	1.3
84.04516	4.5
84.08141	0.8
85.01135	22.5
85.02895	4.6
86.00661	7.1
86.99040	1.0
88.02222	1.1
91.05489	34.2
92.01723	0.9
93.07045	6.6
94.06551	2.5
95.04949	4.0
95.08620	5.9
96.08134	3.7
97.01092	1.1
97.02896	2.0
97.08915	2.5
98.09695	8.9
99.04471	3.3
105.04592	0.9
105.07047	7.5
107.04963	100.0
107.08553	3.8
108.08092	1.1
109.02885	5.6
109.06522	1.7
109.10172	3.2
110.09695	4.7
112.03944	4.1
113.04238	32.5
114.25179	0.8
115.05449	2.8
116.01694	4.6
117.07044	2.3
119.08598	4.3
121.10157	2.8
122.09647	3.3
123.10470	1.1
127.03928	10.8
129.07054	1.4
130.05017	12.9
131.08545	2.3
133.06502	3.7
133.10132	3.2
135.08066	1.6
135.84009	1.2
137.06042	1.3
139.05795	1.7
143.02713	1.2
143.08606	1.4
144.01193	1.3
145.10126	1.7
147.11702	2.0
149.09628	2.9
151.11150	1.1
155.08537	1.2
156.08432	22.4
156.10201	13.1
157.10153	1.8
159.11760	1.8
161.05998	13.4
161.09592	1.2
161.13252	2.5
169.05037	1.1
171.11656	1.8
173.13251	1.1
175.11098	1.2
177.03308	2.4
179.07054	1.2
185.13222	0.9
187.06023	1.6
189.03329	3.5
213.16402	0.8
233.51714	0.8
242.08495	8.7
259.11133	95.8
260.11377	1.4
273.18454	3.7
357.90665	0.8
365.14188	2.9
365.23349	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	365.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.1
53.61301	2.7
55.01878	17.0
55.05511	19.3
57.03431	6.1
57.07084	4.6
61.02921	4.4
65.03960	4.7
67.05517	15.8
68.99794	10.7
69.03437	100.0
69.07075	8.1
70.06596	7.8
71.01361	4.9
71.04998	29.1
71.51392	3.1
73.02922	6.9
79.05500	27.6
80.41399	3.9
81.03424	32.3
81.07059	23.9
83.01337	4.3
83.04966	9.0
83.08608	3.5
84.08147	3.9
85.02908	30.0
87.00845	22.5
87.04464	3.3
91.05491	57.2
93.07056	48.8
95.01348	4.2
95.04970	24.4
95.08632	12.9
97.02894	35.7
97.06521	8.0
99.04467	3.8
99.20001	3.2
102.48679	2.9
103.05479	8.8
105.07037	56.6
107.04974	37.3
107.08601	35.7
109.02866	5.8
109.06523	17.2
109.10175	16.2
111.04440	4.9
113.06067	3.5
115.03944	14.3
115.05479	7.5
117.01863	6.9
117.07038	28.4
119.04961	13.7
119.08591	48.3
121.06503	22.3
121.10159	25.1
123.04444	10.9
123.08069	17.3
123.11711	5.5
125.09602	5.2
127.03936	4.5
128.06248	11.8
129.07019	16.8
130.07822	4.9
131.04929	6.0
131.08578	34.0
133.06506	14.8
133.10121	30.6
135.04436	12.5
135.08089	18.4
135.11705	12.1
137.06018	12.7
137.09618	4.9
141.07039	3.3
142.07799	5.7
143.08600	17.4
144.09364	5.1
145.06500	17.7
145.10130	44.3
146.22893	2.8
147.04445	3.5
147.08035	16.5
147.11707	18.5
149.05983	6.9
149.09634	13.4
151.07553	7.7
151.11212	7.1
153.09134	9.0
155.06084	3.3
155.08592	10.3
156.09412	7.3
157.06555	8.1
157.10120	8.6
159.02899	10.4
159.08078	19.7
159.11723	26.9
161.05997	13.8
161.09625	15.3
161.13287	8.3
163.07571	20.4
163.11234	14.1
165.12820	10.3
169.10124	5.1
171.08096	13.3
171.11694	11.4
172.08849	3.8
173.09657	32.4
173.13315	4.9
175.07573	14.2
175.11186	25.0
177.05533	3.3
177.09148	7.5
177.12753	23.7
182.10902	3.9
183.08020	4.5
183.11679	7.7
185.09598	5.6
187.07634	7.3
187.11217	15.2
187.14868	4.5
189.09120	11.1
189.12767	15.4
191.07172	6.0
191.10725	15.4
191.14153	3.3
193.12234	7.5
197.13255	8.6
199.11267	3.4
201.09056	5.2
201.12735	16.2
203.10634	4.5
205.12263	29.6
207.10173	3.8
215.14365	14.3
217.12291	5.5
219.13864	11.7
225.12802	7.5
233.15422	16.2
233.17470	3.3
243.13853	57.4
244.14497	5.3
261.14883	74.8
279.16049	10.5
303.15985	5.1
321.16983	17.1
347.15082	25.8
365.16199	58.2
365.22861	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10106	1.0
50.12965	1.0
53.03939	5.3
55.01875	8.3
55.05511	34.1
57.03200	1.1
57.03443	10.8
57.07076	1.5
60.21281	1.0
65.03930	2.5
67.05506	42.2
69.03429	17.2
69.07068	40.9
71.04976	4.0
71.51327	1.7
73.02920	1.1
77.03911	1.1
79.05495	40.4
81.03424	12.4
81.06592	1.8
81.07058	36.4
83.04995	9.4
83.08625	10.6
85.02896	2.3
89.55415	1.1
91.04908	2.2
91.05482	45.6
93.06477	2.1
93.07047	29.5
94.04189	2.2
95.04966	13.1
95.08604	18.7
97.02906	18.6
97.06513	4.4
97.10178	16.1
99.04434	2.7
103.05506	1.5
105.04533	1.5
105.07040	25.1
107.04960	14.3
107.08593	21.7
109.02879	3.6
109.06540	7.0
109.07164	1.2
109.10154	18.1
111.08051	3.8
115.05468	2.0
117.07025	12.7
119.04913	1.4
119.08587	17.1
121.06484	5.4
121.10147	9.5
123.04473	1.2
123.08086	6.0
123.11736	3.6
125.09638	15.3
127.03909	4.1
128.06233	1.5
129.06973	4.7
130.07782	1.8
131.08569	11.8
133.06516	6.3
133.10149	15.8
135.08055	9.3
135.11691	3.5
137.09621	5.2
141.06941	2.1
143.08569	5.0
145.04935	3.8
145.10110	8.6
147.08109	7.0
147.11717	3.9
149.09669	6.0
149.13239	2.5
151.07530	2.0
151.11205	7.5
157.10152	4.3
159.07990	2.7
159.11705	6.6
161.05983	9.1
161.09654	6.8
161.13268	1.3
163.11179	3.3
165.09158	4.2
166.92509	1.2
169.12335	1.5
171.10225	1.2
171.11699	2.8
173.09637	1.8
173.11816	1.6
173.13226	1.9
175.11163	2.7
177.09113	2.2
177.12793	1.3
181.10069	2.0
185.13219	2.7
187.06104	2.2
187.11194	2.3
188.32655	1.1
189.11206	7.8
189.12735	2.3
195.13914	2.1
205.12250	3.8
223.11172	2.1
223.13301	34.6
227.12692	2.5
227.17908	2.1
237.16415	1.4
245.19032	4.0
253.14322	2.9
255.17369	2.3
263.20035	3.4
273.18494	21.0
291.19556	100.0
292.19922	2.4
365.10440	1.9
365.23215	57.6
366.23703	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01875	7.6
55.05513	27.1
55.76855	1.0
57.03444	8.6
59.24928	0.9
63.56225	1.1
65.03899	0.9
67.05511	30.8
69.03436	13.0
69.07072	41.5
70.06579	3.2
70.45143	1.7
70.45474	1.5
71.04976	2.8
71.08629	1.3
77.03924	1.0
79.05498	24.5
81.03422	10.0
81.07062	22.5
83.04998	4.6
83.08619	10.0
85.02905	2.9
85.06551	1.5
90.42534	0.9
91.05486	29.9
93.07047	16.9
95.04981	8.6
95.08616	13.4
97.02903	18.0
97.06533	3.9
97.10179	17.8
98.21291	1.4
99.04445	1.7
103.60748	0.8
105.07034	11.8
107.04969	9.6
107.08600	13.7
109.02893	3.8
109.06527	2.4
109.10165	10.2
111.08086	3.5
115.05453	2.1
117.07040	6.2
119.05012	1.3
119.08596	12.9
121.06541	2.7
121.10146	6.0
123.08061	3.3
125.09644	13.8
127.03917	7.3
129.07001	3.0
131.08578	6.3
133.06523	3.5
133.10126	5.2
135.08070	4.5
135.11700	3.1
137.05957	1.9
137.09618	3.7
143.08563	3.6
145.04996	1.1
145.10117	4.6
147.08109	6.0
147.11710	4.0
149.09604	2.2
149.13298	2.8
151.11208	1.9
153.09152	1.8
157.10185	2.2
159.08095	1.0
159.11699	2.9
161.05991	10.1
161.09604	3.6
161.13312	1.7
163.11160	2.4
165.09174	2.6
169.10083	1.5
171.10175	1.2
171.11595	1.6
173.11781	1.1
173.13222	1.0
175.11198	3.0
177.12743	1.5
179.06984	1.0
185.13263	1.2
187.06018	2.3
189.11247	5.5
189.12721	1.3
195.13901	2.6
199.14890	1.4
205.12270	1.8
223.13298	29.7
227.12706	1.1
245.19008	2.3
255.17400	1.0
259.11188	1.0
263.20065	1.4
273.18533	16.4
291.19556	100.0
292.19864	2.8
309.04727	1.0
347.22064	1.3
365.10327	2.3
365.23285	40.5
365.27747	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	14.2
56.45293	5.3
57.07077	5.7
62.59528	4.3
63.15064	5.1
67.05508	27.9
69.03438	8.2
69.07060	17.3
69.75598	12.8
69.76012	16.3
79.05511	26.1
81.03411	6.8
81.07048	30.0
83.04969	7.8
83.08643	9.1
85.06579	5.7
91.05500	33.7
93.07045	32.2
95.04987	43.1
95.08595	27.6
97.06534	5.6
101.19926	4.7
105.07048	52.6
107.08588	29.7
109.06519	11.1
109.10156	23.4
117.07014	12.1
119.08601	46.2
121.10178	33.1
128.06190	5.0
129.07021	14.4
131.08583	24.7
133.06499	5.4
133.10164	15.0
135.08084	10.0
141.06984	6.2
142.07858	12.1
143.08586	34.8
143.45888	5.2
145.10159	26.2
147.08067	11.6
149.09605	6.8
151.07536	16.1
155.08549	14.9
156.09372	14.9
157.10164	32.3
159.08037	7.9
159.11719	30.7
161.05936	5.9
161.09610	6.8
165.07040	7.8
167.08592	8.6
169.10139	19.9
171.11734	20.9
173.09592	8.0
173.13289	17.7
179.08528	7.4
181.10165	17.3
182.10973	6.7
183.11722	20.7
185.13345	9.9
193.10089	14.5
194.10864	8.1
195.11769	16.6
196.12642	5.9
197.13254	16.5
199.14990	6.1
201.12798	9.7
206.10927	10.0
207.11726	19.2
208.12547	8.0
209.13226	17.3
211.14803	8.1
217.10226	5.3
218.10930	6.6
219.11815	5.8
220.12541	6.9
221.13329	17.5
223.14832	13.3
225.12776	9.4
225.16585	5.7
227.14255	6.0
233.13307	11.4
234.14191	6.7
235.14699	6.8
237.16411	12.8
245.13249	6.9
247.14848	8.4
249.16423	9.6
251.17999	5.5
263.18039	9.0
265.15921	9.7
267.17514	11.4
273.16321	7.7
281.18930	6.3
291.17331	12.7
337.25220	8.0
347.23706	27.7
365.10684	17.1
365.24628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05511	10.4
57.07056	3.2
57.74167	1.4
65.03950	1.8
66.57317	1.4
67.05506	22.9
69.03414	4.9
69.07079	8.5
71.04975	3.0
71.50888	2.2
71.51277	2.5
79.05486	20.2
79.14868	1.5
81.03389	2.4
81.07066	24.8
83.04980	3.8
83.08624	4.5
85.02888	1.7
85.06555	2.5
91.05486	25.5
93.07058	25.3
95.04980	14.3
95.08620	26.0
105.06394	2.8
105.07041	33.9
107.04945	2.0
107.08604	21.9
109.06484	4.9
109.10155	13.2
115.05482	1.7
117.07021	9.0
119.08591	27.8
121.06548	3.4
121.10136	17.3
123.08073	15.8
123.11740	4.3
125.09605	1.9
128.06236	3.3
128.76883	1.6
129.07027	8.2
130.07787	3.9
131.08586	18.6
133.10130	9.1
135.08046	5.8
135.11685	6.1
137.09636	2.8
141.06937	3.5
142.07771	7.0
143.08586	15.9
144.09314	5.1
145.10129	19.5
147.08060	4.5
147.11687	10.7
149.09621	4.0
149.13242	3.8
151.07555	100.0
155.08575	7.0
156.09315	5.5
157.10143	18.5
158.10962	2.7
159.08023	2.7
159.11708	23.9
161.09584	7.2
161.13235	7.3
161.21889	1.6
163.11169	2.6
165.07011	3.5
165.09058	2.4
166.07779	1.7
167.08614	5.9
168.09389	2.9
169.10184	10.8
170.10883	2.0
171.11717	12.1
173.09634	4.8
173.13284	16.3
175.07501	2.2
175.11151	4.3
175.14813	5.9
177.09109	3.3
177.12730	2.0
179.08521	2.4
180.09402	3.2
181.10106	6.0
182.10878	4.2
183.11687	11.9
185.09569	2.4
185.13275	6.1
187.11169	3.0
187.14781	4.1
189.09111	5.7
189.12706	2.4
191.10696	4.7
191.14342	6.8
193.10167	5.9
194.10915	2.5
195.11679	7.0
196.12479	4.0
197.13321	7.6
198.14093	2.2
199.11186	2.5
199.14841	4.5
201.09074	5.1
201.12715	4.9
201.16418	2.8
202.10025	1.8
203.10712	6.6
205.12123	1.9
206.10982	2.6
207.11746	7.5
208.12465	3.0
209.13319	10.3
210.14017	1.9
211.14767	4.9
212.08498	1.6
213.12746	3.2
213.16344	8.7
215.10635	4.9
215.14194	1.8
215.17902	4.4
216.15108	3.5
217.12193	2.8
219.11679	2.9
221.13181	7.5
223.11139	2.3
223.14842	7.1
224.15605	2.0
225.12779	4.5
227.10796	2.6
227.14224	3.9
227.17931	3.0
229.12204	3.0
231.13876	3.2
233.13292	4.7
235.14832	3.8
237.16354	3.7
241.12247	7.1
242.13007	2.2
243.13847	5.2
247.14803	2.7
249.16379	6.1
251.17998	2.4
253.12532	1.7
253.15889	4.5
255.13763	4.6
255.17488	1.6
257.15363	7.5
263.18008	4.9
264.18680	2.6
265.15842	3.2
267.17368	2.9
269.15405	3.7
269.18961	2.2
271.16995	2.5
281.18915	3.2
283.16995	4.3
285.18353	2.0
291.17380	2.0
297.18341	2.2
309.18411	5.6
329.22574	1.9
347.23807	12.3
365.10608	2.0
365.24725	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.3
55.05497	16.4
67.05527	26.4
68.79514	6.1
69.03421	10.1
69.07058	15.4
70.05230	16.5
71.33698	4.1
79.05508	23.1
81.07064	30.6
83.04998	5.3
83.08606	10.1
91.05494	44.4
93.07053	36.5
95.04984	25.6
95.08601	18.1
97.06519	8.0
98.20831	6.5
105.07028	45.8
107.08601	36.1
109.06521	13.0
109.10178	22.8
117.07034	14.5
119.08605	45.8
121.10149	29.5
123.08003	7.4
123.11654	6.7
128.06233	6.7
129.07021	12.4
130.07800	7.2
131.08540	23.8
133.06479	5.1
133.10095	30.7
135.08040	8.8
135.11737	5.6
137.09612	5.9
142.07782	12.9
143.08556	27.5
144.09322	6.7
145.10120	32.2
147.08037	9.0
147.11714	10.0
154.07774	6.6
155.08527	14.2
156.09367	9.7
157.10153	32.0
158.10841	5.9
158.56259	5.4
159.07970	5.7
159.11693	17.2
161.09618	11.5
161.13216	11.0
165.07025	5.9
167.08620	11.0
169.10144	17.3
170.10893	5.6
171.11696	23.0
173.09659	8.0
173.13271	27.6
175.11099	4.8
179.08592	7.6
180.09358	5.9
181.10106	12.7
183.11708	22.1
185.13231	12.6
191.14236	6.6
193.10091	14.1
194.10934	7.5
195.11656	14.7
197.13171	9.1
199.14856	6.6
203.14384	4.8
207.11664	15.5
208.12392	8.3
209.13235	12.1
211.11331	4.6
211.14761	7.9
219.11655	8.2
220.12395	4.9
221.13219	16.7
223.14824	9.1
225.12776	5.6
225.16432	5.7
227.17984	4.9
231.07724	4.9
231.11852	6.2
235.14838	10.6
237.16476	8.1
241.15834	5.7
247.14720	8.9
249.16347	6.4
253.15802	5.1
263.17883	10.4
265.15802	6.6
267.17331	10.1
269.18790	6.7
291.17245	9.6
309.18350	5.8
347.23819	20.3
365.10388	11.9
365.24759	100.0
365.28745	8.6
365.32080	7.2
372.92868	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	365.2691
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.84366	0.3
55.01863	0.4
55.05519	1.4
57.07084	3.1
67.05512	2.5
69.03427	0.3
69.07071	1.8
70.70091	0.7
71.04993	0.3
79.05496	1.9
80.98262	0.2
81.07064	3.5
83.04973	0.4
83.08618	0.7
85.06538	1.6
91.05492	1.5
93.07060	2.5
93.76061	0.2
95.04985	1.1
95.08612	2.7
97.06561	0.5
98.21579	0.2
105.07041	1.5
107.08605	2.1
109.06522	2.1
109.10170	1.1
111.08076	0.3
117.07044	0.6
119.08595	1.8
121.06497	0.5
121.10181	1.1
122.10416	0.2
123.08074	5.0
123.11754	0.4
124.08848	1.9
125.06039	0.4
129.06992	0.4
131.08562	0.9
133.10149	0.8
135.08093	0.8
135.11665	0.5
137.05963	0.6
137.09622	0.9
139.07535	0.5
142.07793	0.5
143.08604	0.8
145.10149	1.2
147.11710	0.6
149.09581	0.3
151.07573	4.4
151.11215	0.4
152.08348	8.3
157.10158	1.0
159.11670	1.1
161.09630	0.6
161.13243	0.3
165.09129	10.3
165.12772	0.4
166.09888	0.9
169.10194	0.5
171.11707	0.6
173.09697	0.3
173.13303	0.3
175.11317	0.2
177.09189	0.5
177.12805	0.3
179.10706	2.3
179.14281	0.2
181.10179	0.3
181.12263	0.6
183.11734	0.6
185.13301	0.7
187.14868	0.3
189.12759	0.3
193.12297	0.3
194.13037	4.3
195.11736	0.7
195.13776	0.3
197.13330	0.3
203.05296	0.4
207.11911	0.5
207.13858	1.9
221.13255	0.4
223.14938	0.2
235.14815	0.3
235.17020	0.9
249.18489	0.8
263.20145	2.4
264.90784	0.2
267.13730	0.3
277.21719	0.3
284.15884	0.3
291.19711	0.2
305.24753	0.5
306.25195	1.1
307.26349	0.3
319.26404	1.4
347.25873	18.5
348.26154	0.5
365.26929	100.0
366.27280	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	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
52.09986	0.3
55.01870	0.6
55.05514	2.8
57.07077	4.0
67.05511	3.8
67.32961	0.3
69.07069	4.2
69.33714	3.1
70.30062	0.4
71.04977	0.6
71.08636	0.7
79.05508	2.9
81.07060	5.2
83.04988	0.9
83.08617	1.2
85.06544	2.4
91.05477	2.4
93.07030	3.5
95.04939	0.6
95.08611	4.0
97.06515	0.8
99.08081	0.5
105.07018	1.7
107.08608	2.7
108.27180	0.4
109.06517	2.1
109.10169	1.5
111.04430	1.1
111.08073	0.6
117.07006	0.6
119.08580	1.8
121.06471	0.6
121.10125	1.2
121.46937	0.4
123.08085	5.3
123.11688	0.8
124.08855	0.9
125.06017	1.0
131.08569	1.1
133.10152	1.1
135.08057	2.2
135.11723	1.8
137.06012	1.1
137.09555	0.6
139.07553	0.7
143.08641	0.5
145.10121	0.9
147.08066	0.5
147.11699	1.0
149.09625	1.2
151.07567	4.1
151.11179	0.5
152.08321	3.4
157.10161	0.7
159.11746	0.5
164.08401	0.5
165.09128	13.5
165.12813	0.9
166.09862	0.5
175.11211	0.7
177.09123	0.7
177.12775	0.5
179.10648	1.9
179.14325	0.5
183.26962	0.4
189.12737	0.9
193.12267	1.0
195.13838	0.7
197.83228	0.4
208.14569	2.1
209.15538	0.6
219.13646	0.7
221.15405	2.7
235.16992	0.9
249.18683	1.0
263.19974	2.2
267.68109	0.4
305.24774	3.6
306.24976	1.0
319.26343	5.3
347.25830	45.8
348.26132	1.8
365.26898	100.0
366.27231	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	366.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01854	1.4
55.05486	0.5
57.03437	3.3
59.04987	0.8
61.02934	1.9
67.34520	0.4
69.03435	10.4
69.63873	2.5
70.06591	0.5
71.01343	1.1
71.05002	3.9
73.02905	1.2
75.04484	0.4
79.05473	1.2
81.03410	1.5
81.07033	0.6
86.09702	0.6
87.04448	0.8
92.04980	0.6
97.06552	0.4
99.04470	1.8
104.04971	0.5
106.06549	2.5
107.08618	0.4
109.10148	0.6
116.04974	3.8
117.05514	0.8
118.05278	2.9
120.08119	0.5
123.11658	0.6
124.07639	0.6
130.06541	0.8
131.06082	2.2
132.06807	0.5
133.07628	9.7
134.06035	0.9
136.07530	0.8
143.06059	2.1
144.06870	0.6
145.07611	14.4
146.08397	1.3
146.91342	0.4
147.09160	1.3
155.06042	0.5
157.07605	1.9
158.04779	1.3
158.08426	0.6
159.09169	1.6
161.07132	2.3
163.08679	15.4
169.12257	2.5
171.05553	1.2
171.09196	1.1
173.07098	1.5
173.10715	0.6
175.08678	4.2
176.09450	0.7
177.06561	2.6
177.10231	0.4
183.09132	0.9
185.10829	0.7
189.06581	8.6
191.08299	0.7
199.08563	0.6
200.09485	1.8
201.10211	2.3
203.08105	0.8
203.11874	0.5
205.09749	1.1
207.07660	100.0
208.08025	1.3
213.10252	0.8
214.06180	1.8
215.08185	0.8
215.11826	0.7
217.09785	0.4
217.13393	0.6
229.09724	1.3
230.10408	0.5
231.11293	1.2
232.07170	14.0
241.09729	0.8
248.06760	0.4
249.08759	0.7
249.12326	1.3
261.12396	1.5
265.21756	0.5
269.09369	0.5
272.38913	0.4
275.10281	1.1
279.13394	6.8
287.10300	1.3
305.11285	3.5
323.12381	52.8
324.12613	0.9
348.11911	6.2
366.12973	54.6
367.13187	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76660	1.0
53.03952	4.9
55.01879	9.0
55.05504	3.8
57.03441	6.8
61.02927	6.6
68.99783	3.3
69.03435	41.2
69.07057	0.9
69.53305	6.5
71.05009	6.3
73.02933	5.8
79.05487	1.2
81.03422	24.8
81.07072	1.5
83.05012	1.1
83.08584	1.4
84.08146	1.1
85.02910	100.0
87.00836	47.4
87.04443	1.1
91.03970	1.6
91.05480	1.5
95.04949	1.0
95.08642	1.3
97.02294	1.6
97.02900	30.1
98.20737	1.4
99.04462	12.0
101.02378	1.7
105.01873	60.9
107.04953	2.4
108.04467	3.0
108.05235	1.6
109.02889	24.6
111.08138	0.9
115.03951	1.3
117.01846	3.0
123.94905	1.0
126.05489	1.9
127.03925	66.1
129.01842	2.6
139.07509	1.2
141.09067	1.5
145.04971	28.1
147.02887	2.4
159.02898	13.3
177.04059	1.1
189.03952	3.5
192.85498	1.0
209.11726	3.3
213.04019	1.9
231.04982	15.1
240.04663	0.9
244.33594	0.9
248.07747	1.3
249.06007	3.0
269.14050	1.6
283.06161	0.9
295.11801	3.8
300.91125	1.1
366.10565	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	366.2026
Annotation	Ser Phe Ile
Peak:m/z	Relative Intensity
53.84428	0.7
55.05507	1.2
60.04529	14.0
67.05529	1.0
69.03442	1.4
69.07065	2.6
69.92482	4.3
70.02956	2.3
70.06581	4.0
71.02978	0.8
71.04988	1.9
72.08147	1.5
74.54443	0.9
81.07072	0.8
84.04491	0.9
84.08136	2.1
85.02907	2.0
85.06551	2.2
86.09711	20.8
87.05592	17.2
91.05488	2.0
93.07036	1.9
97.02910	1.2
98.20844	1.2
103.05493	3.3
105.07053	6.3
107.08681	0.8
109.10159	2.1
109.20355	0.8
110.07175	0.8
115.05463	1.4
117.07021	2.7
119.07346	1.4
120.08114	98.3
121.02866	1.0
121.08455	1.6
130.06593	1.2
131.04916	2.4
132.08055	0.9
132.10213	6.9
133.10143	1.7
134.09662	3.1
140.84160	0.8
144.08090	20.2
146.09628	1.5
148.07753	1.0
151.11246	2.2
161.05954	0.9
162.09151	17.6
165.01894	2.3
169.08719	0.9
169.12271	3.0
187.13307	3.2
207.11298	100.0
208.11620	1.2
230.12109	0.8
235.08586	1.2
235.10817	14.8
253.12019	1.0
279.17084	3.3
283.06085	7.7
323.92938	0.9
334.06415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59266	2.6
55.05513	47.0
56.05032	3.1
60.04510	3.2
60.86408	2.7
67.05482	2.7
69.03426	4.5
69.07070	3.4
70.06575	14.9
71.04995	32.4
72.08158	26.1
74.06059	4.4
76.08984	2.8
79.05453	2.8
79.18472	2.6
81.07065	12.8
83.04986	28.1
84.04492	10.1
84.08140	16.4
85.02897	9.3
86.09708	20.2
91.05480	3.0
97.06515	10.6
102.05532	5.9
103.02229	2.9
104.40209	2.6
107.08576	12.1
109.06573	3.3
109.10152	9.6
120.08105	65.0
123.11683	5.3
127.08689	3.7
129.10220	6.1
130.06467	4.1
131.07097	3.5
133.10153	3.0
136.06213	8.9
136.07579	5.9
147.04434	2.9
151.11180	10.2
155.98569	2.6
157.13432	4.5
164.42569	2.4
166.08620	6.9
169.08702	2.5
169.12247	100.0
173.09134	2.5
181.04900	3.2
185.12761	5.9
190.10852	9.0
219.14922	12.2
234.13547	10.7
236.07976	3.8
247.14395	4.9
366.12207	8.4
366.17621	4.3
367.10092	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.2
55.01861	3.6
55.05498	7.3
55.38292	2.7
56.05000	4.0
57.03434	6.0
59.04995	10.9
60.04517	4.5
61.02913	7.9
65.36643	2.5
65.51309	2.1
66.87092	2.2
67.05499	7.2
69.03432	23.5
69.07067	7.4
69.31187	10.1
69.31617	12.8
70.06600	13.6
71.04997	24.7
72.08141	8.3
74.06091	4.6
79.05489	12.1
81.03418	7.5
81.06595	3.9
81.07059	60.3
83.04983	4.3
84.04496	5.5
84.08148	36.6
85.02911	34.4
85.06537	5.7
86.09715	32.2
87.04443	5.7
91.05474	10.9
93.07034	7.0
95.04945	5.6
95.08623	4.3
97.02901	12.2
97.06561	13.4
99.04440	5.5
99.08101	5.3
105.07040	5.6
107.08619	20.6
109.02897	4.8
109.06523	5.7
109.10158	25.8
110.07154	2.9
111.08077	3.7
111.11691	4.4
116.04991	2.6
119.04908	6.0
120.08115	38.0
123.08056	2.8
123.11710	28.7
123.30771	2.6
127.03907	9.1
127.11190	3.6
129.10258	15.5
130.06555	3.1
133.07591	7.6
133.10141	4.6
136.07579	45.6
139.11182	11.1
145.04951	6.3
145.06627	3.3
145.07570	16.7
151.11188	34.0
157.07645	2.8
157.12253	13.2
158.09508	2.8
163.08672	16.1
166.08672	3.1
169.12248	67.9
175.08713	6.9
187.13272	41.9
189.06575	8.0
207.07674	100.0
207.11159	15.6
214.05989	3.0
221.12918	9.8
232.07115	13.4
233.16588	3.7
235.10727	3.5
279.13425	5.3
305.11240	4.6
323.12384	49.8
348.11969	4.9
366.13000	61.2
386.96204	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
55.05505	2.3
57.07061	2.3
59.57833	2.1
60.04522	3.9
64.39346	2.4
66.80766	1.9
67.05507	3.2
69.03437	2.8
69.07048	5.2
70.06593	14.1
70.91647	4.5
70.92008	2.1
71.04990	11.6
72.08158	4.7
74.06083	6.0
75.12615	2.0
79.05507	15.4
80.42459	1.8
81.07059	100.0
83.04977	6.5
84.08123	10.0
85.02899	6.0
86.09702	10.9
91.05483	8.3
97.06538	6.0
107.08581	2.9
109.10152	7.9
110.07181	4.5
119.04947	6.0
120.08109	9.9
123.11706	7.4
127.03902	1.9
129.10223	5.0
130.06480	3.4
140.52054	2.2
147.04417	25.9
150.54413	2.0
151.11201	11.9
169.12241	99.7
178.03363	2.0
187.13310	5.8
203.08150	3.7
207.11406	2.4
277.20917	2.2
283.06070	6.4
349.40735	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44391	0.2
70.69390	0.7
71.29747	0.3
82.99852	0.4
83.27406	0.2
98.97592	0.7
101.00884	3.7
119.01929	6.2
134.99873	0.6
137.02963	0.9
140.98859	1.2
158.99901	2.7
175.03052	0.3
177.00960	15.8
178.01093	0.8
182.99910	0.9
199.03123	0.3
201.00922	3.2
201.02606	0.3
216.98792	0.4
217.04135	3.4
217.98888	0.3
219.02022	22.4
220.02124	1.1
225.00870	2.6
234.00627	0.3
234.99963	0.5
236.00108	0.3
240.98906	0.4
241.99207	0.4
242.99493	0.5
243.02019	10.6
244.02153	0.3
258.99957	1.4
260.00244	1.3
261.03079	100.0
262.03192	3.9
263.03043	1.0
272.86819	0.3
277.01102	0.7
278.01083	0.3
282.99988	2.1
284.00140	3.2
284.04559	1.5
284.99753	1.1
301.01035	2.5
302.01166	3.7
303.00797	1.2
325.00955	0.3
326.01196	0.6
343.02121	0.6
344.02338	1.8
352.98312	0.2
364.01065	0.7
367.02228	0.9
385.03214	4.8
386.03610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	25.7
57.03440	28.4
61.02908	15.6
69.03425	47.5
69.48228	29.1
69.48637	79.9
81.03426	19.9
85.02910	70.9
91.05438	20.9
93.07040	14.0
97.02895	36.7
109.02888	100.0
109.10157	14.3
127.03891	63.7
129.33435	13.4
137.05984	14.7
145.04961	25.3
149.05969	14.4
205.06995	21.8
241.13947	12.8
331.18106	15.0
367.11862	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56211	9.8
60.04535	15.1
69.03429	19.6
69.07054	26.2
70.06604	88.4
71.05009	22.0
71.14111	26.9
72.08147	15.5
81.07065	42.4
84.04517	12.8
84.08153	79.7
85.02921	14.8
86.09716	100.0
87.10057	18.8
106.52497	11.3
110.07227	12.4
120.08118	21.0
123.11729	14.3
129.10246	48.4
144.04517	10.9
151.11208	18.9
157.12160	11.9
158.13745	19.0
169.12219	15.3
187.13327	48.3
197.09480	14.0
207.07730	11.9
208.08075	35.5
324.12753	25.4
367.08530	11.8
367.13354	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.0
55.01864	8.1
55.05517	27.5
57.03428	19.4
57.07077	5.0
57.59318	4.4
59.86904	3.5
67.05494	29.0
69.03419	18.9
69.07074	23.6
69.19569	21.4
69.19993	22.5
70.06589	6.7
71.04993	100.0
72.08139	6.6
73.02910	9.6
78.24178	4.8
79.05499	28.8
81.03406	8.4
81.07053	66.0
83.04964	20.6
83.08610	11.8
84.08129	5.2
85.02906	62.9
85.06522	5.2
87.04465	9.4
91.05477	34.2
93.07050	55.1
95.04947	20.0
95.08607	62.7
97.02848	6.1
97.06539	17.3
98.21501	11.8
99.04446	15.6
99.08064	6.8
103.05505	5.1
105.07030	62.5
107.08582	50.4
109.06541	11.9
109.10167	46.8
111.04428	14.6
111.08063	9.6
117.07010	19.9
119.08585	59.6
121.06483	13.3
121.10150	48.4
123.08079	13.8
123.11719	23.8
125.09642	14.8
127.03949	7.0
127.11179	19.6
129.05470	11.7
131.08586	34.8
133.06496	9.5
133.10127	47.9
135.08070	15.8
135.11691	32.2
137.05943	13.7
137.09610	13.1
139.07510	5.8
142.07838	8.7
143.08551	19.0
145.10129	41.0
147.08044	9.8
147.11696	33.2
149.09605	8.6
149.13217	11.6
151.11218	5.5
153.12727	11.5
156.09239	5.6
157.10097	23.6
159.11699	42.3
161.05910	5.0
161.09578	5.4
161.13274	19.5
163.11234	9.1
165.12732	10.7
167.10719	4.8
169.10129	8.6
171.11685	17.0
173.09621	10.8
173.13258	19.8
175.11160	9.9
175.14923	8.2
177.12715	11.1
183.11729	11.1
185.13231	14.2
187.11099	7.9
187.14856	10.4
189.12711	7.1
189.16396	11.6
191.14369	7.4
194.10791	4.7
197.13225	6.7
199.14853	5.4
201.12781	7.8
201.16382	11.3
203.17940	8.8
205.15929	5.1
207.17323	9.4
209.13376	6.9
211.11357	5.4
215.17819	6.8
219.24344	4.5
221.19078	5.1
227.14287	10.2
227.18004	7.0
243.17448	9.1
245.15331	8.7
245.19006	9.9
261.18381	6.2
263.17004	4.1
263.20154	8.4
273.18524	6.8
275.20041	10.3
280.91406	5.2
293.08228	5.5
305.21106	5.7
307.06027	6.9
307.09433	10.9
313.21521	18.7
331.22607	19.9
335.08936	6.4
349.23792	23.9
367.11780	11.7
367.24939	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
55.05505	22.6
57.07071	11.2
59.04987	3.0
65.03934	4.8
65.24400	2.7
67.05509	46.5
69.03436	9.8
69.07066	30.1
71.05006	6.2
71.24969	3.2
71.25291	4.5
79.05490	39.7
81.07063	63.2
83.04998	6.4
83.08618	13.1
85.06549	7.0
91.05489	67.1
93.07052	81.4
95.04967	42.3
95.08609	66.6
97.06551	16.5
103.05464	5.2
103.10059	2.8
105.07039	100.0
107.08602	66.1
108.41393	3.0
109.06521	12.5
109.10165	46.8
111.08057	3.3
115.05478	6.3
117.07012	17.2
119.08582	92.6
121.06483	10.1
121.10143	53.1
123.08070	11.3
123.11733	17.0
128.06227	13.6
129.07025	18.7
130.07788	10.2
131.08575	66.2
133.10135	64.2
135.08049	20.5
135.11713	22.6
137.09644	5.6
141.07008	9.8
142.07802	17.4
143.08551	46.3
144.09335	10.5
145.10124	68.9
146.07211	4.2
147.08076	11.5
147.11688	27.5
147.37183	3.3
149.09612	20.2
149.13275	6.3
151.63467	3.0
155.08598	16.1
156.09344	15.7
157.10133	57.8
158.10916	9.4
159.08086	6.1
159.11702	44.3
161.09637	39.5
161.13272	10.3
163.11169	5.3
165.06996	6.9
167.08516	9.1
168.09306	4.8
169.10118	21.0
170.10854	8.3
171.11674	33.2
172.12561	3.5
173.09576	5.2
173.13237	27.4
175.11179	11.8
175.14833	22.1
179.08636	7.7
180.09349	4.6
181.10124	14.1
182.10991	5.0
183.11705	26.9
184.12448	3.9
185.09688	5.6
185.13272	17.2
187.11214	3.7
187.14813	17.8
189.12785	3.6
189.16415	3.2
193.10181	4.4
194.10953	7.7
195.11746	17.6
196.12483	5.7
197.13219	16.5
198.13585	3.3
199.11166	3.4
199.14844	13.3
201.12701	7.0
201.16367	6.5
209.13231	22.3
210.13943	3.8
211.14819	8.9
213.12746	3.9
213.16344	5.8
215.14426	4.6
217.15892	4.2
217.73708	3.0
221.13385	3.7
223.14835	7.0
225.16330	6.6
227.14360	16.8
227.17938	3.8
237.16382	5.7
238.56277	3.9
239.18057	6.2
253.19469	4.0
255.17430	6.9
265.19574	6.0
267.17435	5.9
269.18927	4.8
271.20538	4.3
283.20505	3.1
293.19031	4.2
309.22021	4.0
349.25137	8.3
367.26291	16.5
367.30237	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	367.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83912	4.7
55.05518	31.7
57.07063	10.6
67.05507	49.7
69.03436	8.1
69.07072	37.6
69.26749	37.7
69.27168	10.2
71.04990	8.2
71.10834	4.5
75.36460	4.6
79.05488	33.0
81.07059	82.2
83.04954	6.4
83.08621	11.4
85.06524	8.7
91.05493	61.4
93.07053	94.6
95.04954	33.4
95.08621	72.8
97.06537	12.2
98.20733	11.0
105.07035	90.3
107.08602	65.7
109.06519	14.4
109.10162	46.0
111.08124	4.9
117.07030	18.3
119.08595	100.0
121.06530	7.4
121.10164	56.1
123.08029	9.1
123.11713	18.5
128.06224	9.3
129.06989	16.6
131.08586	55.7
133.10124	52.1
135.08035	17.7
135.11708	25.5
142.07791	18.7
143.08548	34.8
144.09358	8.6
145.10139	67.6
146.07300	5.5
147.08057	14.2
147.11703	25.5
149.09639	15.0
149.13246	14.3
155.08563	13.0
156.09341	16.4
157.10130	54.8
157.54590	4.9
158.10820	6.6
159.11690	39.1
161.09679	31.9
161.13242	6.3
163.14886	6.5
163.87511	5.0
168.09398	6.0
169.10143	11.5
170.10915	5.2
171.10352	6.2
171.11578	24.3
173.09679	6.4
173.13286	26.7
175.11220	8.3
175.14871	22.6
179.08649	10.8
181.10135	8.3
183.11687	15.6
185.13255	16.9
187.14793	13.5
189.16315	6.0
195.11662	13.1
197.13289	15.1
199.14839	16.4
201.16370	8.3
201.28951	5.3
207.11668	8.6
209.13225	13.7
211.14801	9.3
211.18033	5.1
213.12762	7.2
213.16473	6.0
223.14850	5.8
227.14308	9.6
239.17879	6.3
257.18942	5.6
333.54449	5.3
335.22641	5.3
339.15375	4.8
349.25146	8.1
367.26111	10.8
367.30258	17.1
367.34061	8.4
386.59445	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2845
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
50.86188	1.0
53.03946	1.4
55.01883	1.8
55.05518	19.5
57.03445	1.3
57.07080	9.2
65.03941	1.3
67.05511	20.3
69.03427	2.4
69.07073	28.8
69.52629	7.8
71.04993	3.5
71.08637	16.8
79.05494	12.0
81.07063	34.9
83.05000	3.2
83.08629	14.5
85.06552	3.4
89.15200	1.0
89.69914	1.0
91.05482	11.4
93.07049	18.0
95.08613	33.5
97.06546	4.8
97.10188	5.4
99.08099	13.7
105.07044	11.6
107.08596	19.1
107.51808	1.0
109.06535	11.7
109.10162	15.2
111.04463	3.6
111.08092	3.6
117.07024	2.8
119.08588	11.6
121.06522	4.0
121.10178	12.0
122.07315	1.1
123.08084	37.3
123.11720	6.1
125.05988	4.6
125.09635	2.1
131.08562	4.3
133.10136	15.3
135.08054	6.2
135.11688	8.3
137.09615	4.5
137.13258	3.0
139.07558	2.1
139.11189	1.5
143.08510	1.3
145.10165	4.7
147.11719	6.8
149.09604	3.3
149.13223	5.1
151.11214	2.5
151.14857	1.7
153.12767	8.5
157.10085	1.4
159.11723	5.2
161.13284	3.5
163.11203	1.6
163.14845	2.5
165.12776	4.0
167.14355	2.1
173.13269	1.6
175.14919	3.6
177.12796	1.3
177.16377	2.1
179.14325	49.8
181.12263	2.6
187.14922	1.4
189.16406	1.8
191.14333	4.1
191.17931	1.9
193.15923	3.2
195.13892	1.6
199.14822	1.6
202.85268	1.0
203.18010	1.7
219.17522	1.5
223.20518	1.5
233.18973	1.4
251.20155	11.0
275.20139	1.6
293.21100	13.1
293.28387	3.8
303.26886	17.8
313.25244	2.5
321.27881	8.2
331.26340	42.2
349.27393	100.0
350.28033	1.4
367.28799	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	367.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	19.3
56.96576	1.4
57.07076	6.9
59.19633	1.7
67.05511	23.3
69.07073	27.3
71.04982	2.1
71.08643	12.9
72.08168	2.4
76.78444	1.4
79.05485	13.9
81.07066	34.2
82.07390	2.7
83.04978	2.7
83.08623	10.1
85.06544	4.5
91.05495	11.2
93.07059	19.1
95.04932	2.2
95.08616	30.4
96.08942	2.8
97.06555	3.2
97.10175	2.6
98.21532	3.5
99.08096	13.3
105.07034	10.9
107.08603	21.1
109.06551	9.3
109.10167	13.1
111.08109	5.3
117.07065	2.8
119.08589	11.1
121.06520	2.8
121.10149	12.7
122.07234	1.7
123.08072	29.7
123.11703	8.1
125.06016	2.9
131.08559	5.2
133.10141	15.7
135.08038	7.7
135.11734	4.9
137.13272	5.1
143.08636	2.4
145.10184	9.4
147.11691	6.9
149.09651	5.3
149.13255	5.0
151.07590	1.8
153.12767	5.5
157.10167	2.9
159.11711	5.6
161.13243	4.1
171.11810	2.2
173.13307	3.2
175.14868	2.5
177.12721	1.9
177.16508	1.6
179.14308	37.0
185.13206	1.7
189.16470	3.9
191.14247	4.3
193.15829	2.1
197.13269	2.2
199.14809	1.6
201.12698	1.8
213.16322	1.8
245.88171	1.6
251.20044	11.5
275.20215	3.2
293.21161	14.3
293.28320	4.3
303.26782	13.7
308.26645	8.0
313.25165	3.5
321.27917	3.9
331.26331	42.5
349.27399	100.0
350.27869	2.7
367.17014	1.7
367.29919	4.8
367.33981	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	369.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01517	0.5
53.03945	1.3
56.96571	3.4
57.03438	0.9
61.02926	1.8
69.03436	3.2
70.06604	1.7
70.98130	0.6
71.50092	0.8
72.08144	0.6
79.05499	1.3
81.03425	1.7
82.99871	0.7
84.08147	1.4
84.96024	0.6
85.02905	4.7
88.79445	0.7
90.82257	0.7
91.05477	1.1
91.77136	0.6
95.04961	0.9
97.02895	4.5
98.97595	4.8
101.00881	8.1
107.04960	100.0
108.05296	1.7
109.02894	2.4
110.07174	3.5
110.97578	1.9
112.07600	1.4
113.00851	1.3
116.98618	2.1
119.01927	14.1
119.04926	0.7
121.02887	0.7
127.02430	0.9
127.03909	1.9
128.98618	2.3
130.08659	1.8
131.01913	3.5
132.95811	0.6
134.99673	0.9
136.06171	1.2
136.07660	0.8
137.02965	1.5
141.01332	0.7
143.00145	1.0
143.01904	6.8
145.03465	5.1
145.05132	0.9
146.99687	1.1
147.04436	1.8
149.88551	0.7
155.01927	5.0
157.03513	3.4
158.99637	0.7
159.01414	0.8
161.02966	18.0
164.98685	1.1
165.03984	3.9
167.01857	1.3
170.96013	0.8
170.99567	0.7
173.02982	5.4
174.04367	0.7
175.04509	1.0
179.01933	1.7
182.99617	1.3
183.05016	3.0
185.02960	5.8
186.04391	1.4
187.04518	2.0
189.00838	0.8
189.10336	1.0
191.03946	0.7
192.01985	1.2
193.00340	0.7
193.03442	1.5
195.08733	0.9
197.02968	12.0
201.00732	1.8
203.04024	8.6
207.05025	6.3
207.11255	1.0
215.03999	2.5
219.01729	2.0
219.05060	1.6
221.05078	1.9
225.06117	1.0
227.04004	1.4
231.05008	2.4
234.99101	1.0
236.97321	0.6
237.02850	1.5
243.05116	0.7
245.05092	19.4
246.05463	0.9
249.06126	2.4
255.05080	0.8
263.06088	4.7
266.05536	0.8
267.07141	0.7
279.07202	1.0
281.13467	1.3
291.07034	1.7
309.08182	8.5
319.22275	0.6
327.09250	1.4
369.05377	1.5
369.10339	23.9
370.10583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.0
70.06588	3.7
71.49980	1.1
72.08114	1.0
72.93804	0.9
84.04503	2.0
84.08149	22.4
84.24153	0.9
85.02897	1.5
97.02887	0.9
99.18314	0.9
103.90820	0.8
107.04962	11.2
110.07175	3.8
114.10517	0.9
115.99933	0.8
117.03342	0.9
117.46421	0.8
119.04935	1.1
130.05005	1.0
130.08653	4.9
145.02853	2.0
147.04468	1.5
147.11311	3.5
149.06006	0.9
150.68408	0.9
157.09763	2.3
161.05981	1.3
177.05446	2.1
185.04257	4.3
197.73448	0.8
206.05579	4.5
207.06326	8.9
216.04861	1.0
221.52298	1.1
239.06944	0.9
285.72638	1.0
288.12347	1.5
300.85599	0.9
369.11618	100.0
369.16278	5.2
370.11972	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	369.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98142	1.2
51.02393	1.2
53.03939	4.3
54.88572	1.1
55.01867	2.5
57.03440	3.6
58.14711	1.2
65.03934	2.2
67.05499	2.3
69.03436	21.0
69.18172	10.9
70.06588	1.5
71.05009	2.9
71.36259	1.1
73.02888	1.3
77.13155	1.1
79.05491	3.6
81.03427	20.9
81.07064	4.1
85.02911	15.9
91.05489	100.0
93.07064	3.0
95.04965	2.8
95.08621	3.9
97.02885	9.5
98.21536	2.5
99.04466	6.3
101.02400	1.5
103.05463	2.1
105.07033	4.1
106.04140	1.4
107.04975	4.2
107.08611	2.1
109.02892	9.7
109.10122	1.2
115.05456	2.6
117.07026	6.4
119.04949	20.3
119.08543	2.7
121.06518	1.4
121.10152	1.6
123.95167	1.2
127.03929	13.0
128.06221	1.6
129.06975	1.5
131.04956	4.2
131.08578	1.3
132.02013	1.1
133.06496	3.7
133.10193	1.4
137.05989	6.9
145.04987	2.7
145.06473	8.7
145.10080	1.9
147.04425	16.5
147.07954	1.1
147.11707	1.3
151.03935	1.2
155.04861	1.2
155.06062	2.1
157.03972	1.8
161.06001	9.8
161.13315	1.5
167.07106	6.7
167.08336	1.2
169.06517	1.5
170.69330	1.2
171.04448	5.5
171.11699	1.6
173.04536	1.5
175.03922	31.1
175.07503	3.1
177.05518	2.3
178.07767	2.6
179.07051	17.3
187.07576	2.3
189.05481	5.3
189.07025	2.5
190.07736	1.4
191.07057	3.8
192.04204	1.7
195.06541	3.5
195.08144	1.4
199.07555	5.1
202.07845	2.6
203.08641	2.0
205.06598	2.5
206.07211	2.4
207.06532	52.6
215.07036	2.8
217.06613	1.4
218.07234	3.0
219.08075	4.7
220.08720	1.6
221.09579	1.9
231.08092	5.6
233.05956	2.9
234.06764	3.9
235.07605	3.9
237.08998	1.7
245.06041	1.7
247.07535	4.2
248.08394	2.5
249.09160	4.8
250.06364	1.5
251.07280	2.4
251.10576	1.6
252.08032	1.4
259.07556	2.5
260.08258	1.2
261.05319	1.2
264.07819	2.0
265.08655	3.5
266.09247	2.1
275.07065	3.1
276.07837	3.5
277.08633	5.0
279.06595	2.1
279.10074	2.5
287.07214	3.0
288.07938	1.4
289.08508	1.7
290.05887	1.4
290.09213	1.6
291.10074	7.0
293.08078	3.2
295.09662	1.5
304.07355	2.9
305.07864	10.0
306.08798	2.2
307.09683	4.7
309.11243	3.7
310.85803	1.3
311.12662	2.1
311.48730	1.3
319.09689	7.6
322.08273	2.1
327.12128	1.3
337.10718	17.8
338.11414	1.5
339.12305	5.0
341.13934	2.6
351.11017	13.3
369.13470	15.4
369.18375	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1184
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02365	0.6
53.03951	2.6
55.01863	0.8
55.05497	0.8
57.03429	1.6
59.54732	0.6
61.02908	0.5
65.03927	1.5
67.05508	1.1
69.03153	0.5
69.03437	5.9
70.06617	0.8
71.01318	0.6
71.04985	1.4
71.32951	0.5
71.51321	0.8
73.02894	1.0
74.85896	0.5
77.03930	0.9
79.05470	1.1
80.06269	0.6
81.03421	13.5
81.07039	1.2
83.04963	0.7
85.02909	6.3
86.09731	0.6
89.03913	0.7
91.05486	30.0
93.07044	1.0
95.04951	0.7
95.08559	0.7
97.02885	1.8
99.04445	1.8
103.05447	1.0
105.03393	0.6
105.07021	0.9
109.02879	5.7
110.96260	0.6
117.21187	0.6
118.04146	0.9
119.04946	39.4
119.08594	0.8
121.06498	0.5
127.03919	1.5
131.04919	1.4
132.02086	1.2
133.02847	0.7
133.10094	0.7
135.04414	0.7
137.05974	4.0
143.03583	0.5
145.02829	1.1
146.03558	0.6
147.04414	30.1
147.08022	0.9
149.02341	2.2
151.03958	0.7
157.03990	4.6
161.05981	1.4
164.04787	1.0
167.07120	0.8
175.03918	54.7
176.04364	0.9
179.07042	2.9
181.05022	0.5
187.07431	0.9
190.07799	0.6
191.08551	0.6
192.04259	2.5
192.05869	0.6
199.07544	1.7
207.06537	100.0
208.05211	0.9
208.06963	1.7
219.08093	1.1
221.06032	0.7
225.07559	1.2
234.06734	0.8
235.07544	1.1
236.78328	0.6
246.06073	0.6
247.07578	2.0
248.08389	0.7
249.09212	1.2
255.10243	0.8
262.06039	0.6
263.06967	1.0
264.07819	0.9
265.08627	0.7
276.07889	0.7
277.08630	1.8
279.06653	1.1
279.09949	1.0
281.11710	0.6
290.09476	0.6
291.10178	0.9
293.08051	1.1
294.08911	0.6
305.08105	0.8
307.09595	1.3
309.11337	1.0
311.12851	0.6
315.08685	1.9
319.09766	0.7
337.10599	3.6
338.11542	1.1
339.12320	1.3
351.10745	12.5
369.13141	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1187
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
51.02373	0.5
53.03951	0.5
55.01883	0.4
55.05512	0.7
57.03426	0.6
60.13831	0.3
61.02924	1.2
65.03931	2.0
67.05489	1.3
67.92535	0.4
69.03089	0.6
69.03436	8.8
69.07060	0.4
70.19504	0.3
71.04987	0.5
71.19248	0.6
71.35288	0.3
77.03938	0.6
79.05500	1.1
81.03420	2.5
81.07046	1.7
83.04985	0.8
83.08615	0.5
85.02905	1.3
85.06533	0.3
87.17712	0.4
89.03944	0.8
90.40240	0.3
91.05488	26.1
93.07050	1.1
95.04971	0.8
95.08617	1.3
97.02897	1.5
98.21096	0.4
99.04449	0.7
99.13702	0.4
100.11237	0.5
103.05470	1.2
105.03397	0.6
105.04556	0.4
105.07045	1.4
107.04941	1.0
107.08588	0.9
109.02888	1.1
109.06533	0.8
109.10165	0.5
111.04461	0.6
113.00028	0.4
117.03404	0.6
117.07036	1.1
119.04950	34.6
119.08602	0.8
121.02872	1.4
121.10120	0.4
122.03654	0.5
127.03915	3.9
128.06224	0.5
129.03404	0.5
129.07002	0.6
131.04924	1.0
131.08580	0.8
132.02048	1.7
133.02838	0.9
133.06482	0.7
133.10210	0.6
134.48914	0.3
135.04388	0.6
137.05984	1.8
145.02882	0.6
145.06482	1.0
147.04419	27.4
147.11690	0.4
148.04768	0.6
149.02348	0.8
149.06013	0.8
151.03935	0.5
153.05479	0.7
155.07388	0.3
156.13841	0.5
157.02769	0.5
157.03963	3.1
159.11737	0.5
161.05984	1.1
162.03189	0.5
164.04712	1.1
167.07050	2.0
175.03917	51.0
175.07280	1.0
176.04369	0.5
177.05507	0.5
179.07065	2.7
181.04893	0.5
185.13312	0.4
189.05537	0.5
191.08578	0.5
192.04144	0.7
194.07082	0.4
199.07539	2.2
199.16054	0.4
203.08633	0.5
207.06540	100.0
208.06921	1.3
215.06859	0.4
218.07414	0.7
219.08101	1.0
221.05833	0.7
221.09561	0.5
225.07579	0.5
234.06776	0.6
235.07603	0.6
247.07498	1.0
248.08357	0.7
249.09058	1.2
251.07010	0.6
263.07126	0.8
264.07846	0.7
265.08649	0.9
275.07263	0.4
276.07697	0.5
277.08743	0.9
279.06451	0.5
279.09998	0.9
291.10156	0.7
293.08124	0.6
294.08896	1.0
295.09695	0.8
305.07990	0.5
307.09671	1.4
309.11301	1.6
311.12823	0.8
319.09702	0.5
337.10727	4.2
339.12241	1.2
341.13821	0.5
351.10767	2.8
369.12439	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	369.1337
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
52.51702	0.6
53.03839	1.0
53.04049	1.1
53.64082	0.7
55.01761	1.6
55.02017	1.3
65.03828	1.5
65.04105	0.8
65.53463	0.8
67.05387	0.7
69.03266	3.5
69.03676	1.7
70.06476	1.3
70.06805	0.7
71.29507	1.4
71.50644	0.7
81.03240	3.8
81.03751	1.1
81.06932	1.0
85.02737	1.8
85.03205	1.3
91.05291	14.7
91.05936	3.5
95.04849	1.7
97.02728	1.0
98.59888	0.7
98.97461	1.1
103.05315	1.0
105.03237	1.1
105.06839	1.9
107.04807	1.8
107.05426	0.7
109.02694	2.4
109.03391	0.9
109.06378	1.0
109.09969	0.8
115.05327	1.0
119.04740	16.7
119.05677	2.0
119.08402	0.9
123.04301	0.9
127.03732	1.9
128.06059	1.6
129.03116	0.7
129.06876	1.1
131.04749	2.0
132.01918	0.9
133.02716	1.2
137.05782	2.5
145.06354	1.6
147.04201	16.4
147.07884	1.1
149.05862	1.2
155.04784	0.7
157.03870	1.6
159.07939	1.2
161.05762	2.0
164.04613	0.9
165.06834	2.5
167.06882	1.5
169.06323	1.4
175.03929	26.8
175.07527	3.4
177.06810	1.2
178.07817	3.8
179.06905	1.5
179.08368	2.1
181.04825	1.4
181.06320	2.2
183.06401	1.3
184.05145	1.3
185.05861	0.7
187.07353	1.6
189.06813	2.4
190.07614	2.3
191.08565	4.1
193.06387	1.1
194.07314	7.0
195.07838	2.4
199.07570	10.1
202.07765	4.0
203.08655	3.6
205.06508	4.0
206.07076	3.1
207.06514	48.4
207.08134	3.4
207.09680	1.1
208.05067	1.0
208.06813	1.0
208.08638	1.4
209.05826	0.8
209.09363	1.5
211.07423	1.0
217.06416	1.5
217.08553	1.0
218.07112	3.1
219.08052	7.4
220.08888	4.1
221.06046	3.6
221.09462	2.1
222.06850	4.3
223.07529	4.0
230.07126	1.1
231.08101	5.3
232.08698	1.8
233.05814	3.0
233.09555	1.5
234.06633	3.2
235.07581	8.3
236.08380	3.8
237.05373	1.2
237.09100	6.1
238.06149	1.3
238.09756	0.9
239.06938	1.2
246.06628	1.3
247.07573	8.9
248.08366	7.5
249.05316	1.2
249.09161	5.4
250.06210	3.6
250.09828	0.8
251.06973	4.4
251.10539	2.5
252.07697	1.4
253.08421	1.5
259.07413	2.5
260.08307	0.9
261.05396	1.6
261.09009	3.0
262.06189	2.0
262.09717	1.2
263.07040	5.0
263.10468	1.8
264.07828	5.0
265.05975	1.2
265.08609	13.8
266.05679	1.2
266.09213	4.2
267.09985	2.1
274.06213	0.9
275.06946	1.7
276.07767	4.0
277.08585	5.5
278.05759	1.4
278.09363	2.6
279.06488	3.1
279.10083	4.9
280.07098	0.7
280.11093	0.8
281.08157	1.6
281.11606	2.1
289.08304	1.3
290.09265	0.9
291.07013	1.0
291.10123	13.0
292.07339	0.9
293.08047	7.4
294.08972	4.4
295.09573	2.7
305.08066	1.3
306.08768	1.1
307.09558	8.1
308.10324	2.6
309.11243	12.6
310.11612	1.0
311.09204	1.7
311.12747	5.0
319.09653	7.1
322.08340	2.1
323.09192	2.6
324.09848	1.4
336.09778	1.5
337.10718	100.0
338.11453	7.7
339.12332	6.2
341.13931	0.8
351.10718	7.2
369.13367	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1335
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03949	5.2
62.66998	3.0
65.03953	18.7
67.05502	6.3
67.68253	3.3
69.03428	5.2
69.47274	3.6
69.47666	20.8
70.50157	2.8
79.05476	5.0
79.60256	3.0
81.03419	11.3
82.04195	5.4
85.02912	7.1
91.05497	21.7
93.03414	9.7
95.01357	4.0
95.04980	10.9
95.08617	3.4
105.07043	4.9
107.04959	5.9
109.02907	4.6
110.03628	15.6
111.04439	10.8
115.05463	3.8
117.07007	3.4
119.04999	19.7
119.08589	6.6
123.04440	6.6
125.05989	15.3
128.06210	5.5
137.05956	5.3
140.04704	3.4
141.06952	4.1
145.06509	3.2
147.04416	17.1
147.08037	5.8
153.05472	44.7
155.04951	4.8
156.05708	4.3
159.08073	7.0
169.06499	8.6
171.04338	4.8
175.03912	28.4
175.07555	24.7
179.07034	5.5
183.06548	10.3
183.50732	3.1
184.05228	12.6
185.05969	9.5
186.06766	6.3
189.05507	4.8
189.07123	3.8
190.07724	5.4
191.08546	6.3
198.06870	4.1
199.07553	100.0
205.06599	4.0
206.07298	5.7
207.06499	46.3
207.08160	6.4
208.08855	3.6
216.07854	14.1
218.07292	8.4
219.08128	14.2
220.08873	8.4
221.06027	6.3
222.06738	4.3
229.08647	9.0
234.06793	7.5
234.69940	3.0
235.07515	13.1
236.08345	13.2
246.06799	4.0
247.07559	11.5
248.08536	5.8
249.05502	5.7
249.09120	9.4
251.07036	5.3
251.10789	22.9
253.08521	3.4
261.09073	4.4
263.07037	10.0
264.07831	23.7
265.08636	8.1
275.07040	3.9
276.07849	6.5
277.08615	10.4
278.09372	7.4
279.07150	3.5
279.10251	18.8
281.08160	4.8
291.10236	3.6
292.07364	5.7
293.08130	10.1
294.08771	6.5
306.47025	3.3
307.09641	53.0
308.10242	9.7
309.11218	10.3
311.12796	34.0
319.09637	3.9
324.09937	8.5
336.09909	3.6
337.10791	18.8
338.11142	3.7
339.12292	55.1
346.66504	3.6
351.11261	11.0
369.13266	29.0
369.18237	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	369.1336
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
53.03952	4.1
65.03937	12.3
67.05503	2.9
67.81730	2.5
69.03412	4.4
69.26920	7.0
69.27325	24.1
71.75887	2.6
77.71593	3.2
79.05492	3.4
81.03423	6.1
81.07055	2.7
83.08627	3.1
85.02895	3.9
91.05487	17.1
93.03423	4.9
93.07040	4.6
95.01308	3.3
95.04971	9.8
95.08617	3.7
103.05450	5.3
105.07027	6.6
107.04991	4.0
109.02853	3.6
110.03664	10.0
111.04477	7.0
115.05466	5.6
117.50771	2.9
119.04942	11.4
119.08541	6.3
123.04446	9.2
125.05979	7.6
128.06206	6.7
129.07010	4.5
137.06003	6.1
141.06985	4.9
143.08644	4.7
145.06560	3.5
145.10217	2.9
147.04401	12.7
147.08025	5.6
153.05484	28.9
156.05698	5.5
159.08102	6.0
161.06004	6.9
167.07033	3.8
168.05745	3.6
169.06496	6.6
171.08063	3.6
175.03920	17.6
175.07584	22.2
183.06514	10.4
184.05217	11.0
184.90695	3.5
185.06018	6.5
186.06750	2.9
187.07538	6.5
189.05418	3.2
189.07086	3.3
191.08699	6.4
199.07549	100.0
201.05449	5.2
203.08585	5.1
205.06471	8.1
206.07289	5.4
207.06487	32.8
207.07941	3.5
208.05167	4.7
208.08655	3.5
216.07825	11.2
218.07349	8.3
219.08078	15.0
220.08870	5.1
221.06061	4.9
221.09671	5.8
222.10579	3.2
229.08563	5.7
234.06766	5.1
235.07468	14.9
236.08347	9.6
237.09085	3.3
246.06798	5.4
247.07527	12.1
248.08276	5.9
249.05453	3.8
249.09082	6.8
251.07088	6.0
251.10645	16.9
261.09073	3.1
262.06271	3.7
263.07019	11.7
264.07840	18.2
265.08572	12.1
267.09946	4.5
269.08075	3.6
275.07114	6.0
276.07721	7.0
277.08588	7.4
278.09326	4.9
279.07062	3.3
279.10062	13.0
280.10809	3.5
281.08163	6.8
281.11575	3.8
285.07703	3.1
291.10095	4.6
293.08090	4.9
305.08160	6.2
306.08954	3.2
307.09641	33.7
308.10336	9.5
309.11237	10.0
311.12735	23.9
315.08701	12.0
319.09576	6.2
323.09219	6.4
324.09988	6.0
336.10150	4.7
337.07214	2.8
337.10596	15.5
339.12296	41.1
341.13898	8.5
351.12222	6.3
369.13309	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	369.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01865	6.1
55.05520	4.9
57.03446	3.3
57.07064	1.4
67.05505	8.1
69.03414	1.3
69.07067	4.8
70.31555	0.6
70.31889	2.6
71.05021	0.8
76.44996	0.6
79.05499	6.6
79.58913	0.7
81.03407	1.0
81.07059	31.2
83.04977	2.7
83.08614	2.4
85.06514	0.8
91.05490	7.2
93.07044	5.8
95.04964	0.7
95.08608	6.6
97.06540	2.0
97.10183	0.8
105.07023	6.2
107.04931	1.6
107.08595	6.3
109.06522	12.7
109.10136	3.3
111.04445	16.0
111.05208	1.0
111.08050	1.4
115.05450	1.0
117.07032	2.0
119.04926	1.5
119.08597	5.3
121.10136	5.2
123.08069	2.8
123.11700	1.7
125.05997	6.5
125.09644	0.9
127.03934	0.8
127.07549	0.8
131.04968	0.9
131.08566	3.6
133.10146	4.0
135.08084	3.8
135.11688	4.6
137.05981	100.0
137.09572	1.6
137.13257	2.3
138.06332	1.8
139.07578	0.7
142.07822	1.0
143.08551	2.2
145.06474	1.4
145.10123	3.5
147.04512	1.5
147.08043	2.5
147.11710	6.8
149.09621	5.4
149.13292	2.5
151.07545	3.0
151.11151	1.3
157.10132	1.4
159.08011	0.9
159.11687	2.2
161.09621	7.2
161.13277	2.7
163.07622	0.7
163.11208	3.1
163.14832	0.8
165.09085	3.3
165.12692	0.9
171.11650	1.2
173.13281	0.8
175.03957	3.2
175.07631	0.8
175.11172	5.5
175.14882	0.8
177.05449	0.8
177.09088	0.8
177.12834	0.8
179.10684	2.3
185.13222	0.9
189.12758	1.6
193.12239	1.9
197.13289	0.8
199.11269	0.7
199.14746	0.9
203.14284	0.7
203.17967	7.2
207.06541	4.3
207.13889	0.7
213.16414	2.7
221.19002	2.4
223.14804	1.0
231.17426	8.1
241.15842	1.3
249.18523	10.8
259.16895	0.9
277.08456	1.2
277.17996	61.2
278.18436	1.5
295.19080	6.6
304.19983	0.7
309.11359	0.9
315.31152	0.7
337.10672	1.7
339.11987	0.8
351.10611	0.9
351.21689	6.6
369.13367	2.4
369.22992	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
53.32976	0.4
55.01871	5.4
55.05508	5.0
57.03445	2.9
57.07080	0.9
57.43818	0.5
67.05510	4.9
69.03434	0.9
69.07069	4.6
69.74937	0.8
69.75349	1.4
73.52195	0.4
73.71111	0.5
79.05495	5.3
79.93427	0.4
81.07058	29.2
83.04995	2.7
83.08628	1.2
83.74530	0.4
85.06550	0.6
91.05479	3.5
93.07047	4.9
95.04958	0.7
95.08619	6.4
97.06530	1.5
98.20805	0.5
98.21341	1.0
101.09669	0.7
105.07038	4.9
107.08595	5.1
109.06521	11.2
109.10168	2.5
111.04446	15.3
111.05215	0.7
111.08099	0.9
117.07027	0.9
119.08595	3.6
121.06508	0.7
121.10148	4.7
123.08083	2.1
123.11715	1.8
125.05997	5.9
125.66266	0.4
128.06181	0.6
129.06950	0.5
131.08577	2.7
133.10135	5.2
134.53558	0.4
135.08047	3.5
135.11711	4.2
137.05983	100.0
137.13257	1.6
138.06329	1.1
139.07556	0.6
142.07784	0.5
143.08565	1.7
145.10175	1.6
145.24806	0.5
147.04404	0.7
147.08081	1.3
147.11705	6.0
148.81514	0.5
149.09627	4.3
149.13286	1.5
151.07582	2.4
151.11218	1.4
157.10127	1.4
159.11676	0.5
161.09607	4.4
161.13248	2.7
163.11134	2.6
163.14857	0.7
165.09114	1.9
165.12752	0.4
167.10704	1.0
171.11723	0.8
173.13298	0.7
175.11192	6.4
175.14844	1.3
177.09117	0.5
177.12828	0.5
179.10690	1.8
181.10150	0.5
181.12286	0.6
185.13271	0.6
189.12753	0.8
190.52946	0.4
193.12259	1.5
195.11789	0.5
203.17944	4.7
205.19427	1.0
207.06543	1.2
213.16403	3.1
221.19037	1.8
223.14944	0.5
231.17451	9.6
241.15897	1.5
249.18526	11.3
250.18793	0.5
277.17999	62.1
278.18329	1.5
295.18964	4.2
337.10623	0.9
339.12451	0.5
351.21661	5.9
369.13400	0.5
369.22705	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	369.2403
Annotation	Perindopril
Peak:m/z	Relative Intensity
55.05497	1.4
57.07067	1.6
65.61886	0.9
67.05489	3.5
69.73655	0.9
71.26873	2.1
75.75446	0.9
79.05477	1.8
81.07050	3.3
91.05465	3.8
93.07040	2.6
95.08607	3.1
99.04453	1.0
105.07014	1.9
107.08613	2.1
109.10136	1.9
115.20557	1.0
119.08571	2.6
121.10126	1.5
123.08035	1.1
131.08588	1.7
133.10123	2.3
135.11671	1.1
145.10133	1.8
147.11732	2.1
148.21753	1.3
151.07533	4.1
159.11687	1.4
213.16458	1.2
254.95844	1.0
313.19855	1.5
369.24042	100.0
370.24277	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	369.2425
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
53.03946	2.4
55.01866	2.9
55.05276	0.6
55.05519	10.1
56.52758	0.6
57.03433	1.2
57.07074	0.8
65.03943	1.2
65.99250	0.6
67.05180	0.9
67.05511	11.3
69.03425	2.0
69.07080	8.4
69.25473	5.0
71.01341	0.9
71.04987	1.9
74.12943	0.7
79.05074	0.8
79.05506	10.8
81.03423	8.4
81.07066	12.4
83.04991	1.8
83.08643	3.1
85.06556	1.3
91.05489	14.2
93.07053	9.1
95.04985	8.6
95.08620	10.0
97.02896	1.0
97.06551	2.1
97.10172	2.2
103.05475	1.0
105.07035	13.9
107.04955	5.6
107.08594	5.9
109.02891	0.9
109.06516	1.6
109.10160	3.8
111.04448	0.9
115.05453	3.0
116.06239	0.9
117.07037	8.7
119.04939	1.1
119.08590	8.5
121.06519	2.7
121.10117	4.3
123.04466	1.1
123.08139	1.1
123.11665	1.0
125.09622	0.7
128.06247	5.6
129.07018	13.3
130.07779	0.7
131.04942	2.6
131.08577	10.5
133.06512	3.0
133.10144	5.8
135.08084	1.6
135.11676	1.6
137.05975	0.9
141.06996	8.2
142.07799	5.6
143.08575	13.8
145.06517	4.8
145.10126	9.0
147.04407	0.8
147.08064	3.3
147.11693	2.8
149.09671	1.2
152.06145	0.9
153.07014	2.7
154.07832	2.7
155.08580	10.7
156.09358	2.5
157.06540	8.3
157.10141	10.5
158.07303	1.2
159.08073	4.9
159.11728	5.5
161.05971	1.1
161.09644	1.8
161.13277	0.9
163.11159	0.9
165.06993	2.9
166.07799	2.3
167.08586	5.8
168.09343	2.0
169.06546	2.6
169.10129	8.8
170.07329	1.5
170.10843	1.0
171.08073	11.8
171.11710	7.3
172.08818	1.0
173.06020	1.4
173.09637	3.4
173.13307	2.5
175.11223	2.0
178.07750	1.3
179.08566	4.2
180.09384	1.4
181.06493	1.1
181.10120	5.8
183.08076	9.0
183.11705	9.3
184.08861	2.2
185.09637	10.1
185.13240	5.5
186.10342	1.3
187.07512	0.8
187.11182	2.2
187.14890	1.3
192.09412	1.2
193.10182	2.5
195.11726	5.1
196.08862	0.8
197.09656	7.8
197.13283	5.2
198.10402	2.1
199.11191	6.6
199.14853	3.5
201.09193	0.9
201.12764	0.9
207.11700	2.1
209.09686	0.6
209.13271	4.1
211.11215	7.1
211.14842	2.4
212.11945	1.3
213.12727	6.6
213.16447	1.2
215.10612	0.9
215.14302	1.5
221.13260	2.1
223.11206	0.7
223.14836	2.3
225.12740	4.9
225.16454	1.4
226.13524	0.9
227.14307	4.1
229.12245	1.5
231.13969	0.9
235.14903	1.3
237.16479	1.4
239.14363	3.7
240.15112	1.0
241.15886	2.1
243.13832	1.8
253.15944	2.2
257.15436	1.3
267.17334	1.0
271.17389	0.8
271.20480	0.9
285.18622	0.7
287.20242	0.9
295.20624	0.8
299.16534	1.3
299.19940	0.8
305.22742	1.2
309.18582	1.0
309.22125	2.3
313.18146	1.0
323.23694	4.0
325.21652	0.8
327.19601	1.1
327.23221	1.6
333.22250	2.6
341.24786	6.6
351.23236	23.9
352.23557	0.9
369.24286	100.0
370.24655	4.1
376.04849	0.7
394.42361	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46036	4.5
55.05518	27.8
57.03419	9.6
57.07071	16.3
67.05509	68.7
69.07070	40.2
71.08641	11.2
71.51421	6.6
79.05508	30.8
81.07061	100.0
83.08627	28.7
89.24284	5.3
91.05498	17.7
93.07041	40.1
95.04974	9.9
95.08621	90.4
97.10173	25.2
105.07036	24.8
107.08612	23.2
109.06548	5.7
109.10166	44.2
111.08061	9.7
111.11700	10.5
114.56969	4.8
117.07107	5.9
119.08589	21.3
121.10133	34.4
123.11698	17.6
131.08548	9.7
133.10138	23.2
135.11705	22.3
137.13281	8.4
143.08546	8.1
145.10172	11.2
147.11722	12.9
149.13246	16.7
157.10181	9.0
159.11720	13.0
161.13254	12.8
163.14828	9.9
165.12631	6.7
165.16451	7.3
175.14841	8.3
177.16443	8.9
179.17981	5.8
189.16432	6.7
201.16708	5.1
202.79204	5.4
259.24225	35.2
277.25272	58.2
348.89816	5.8
351.23169	6.8
351.29037	17.9
369.24274	32.0
369.31586	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	369.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01871	3.8
55.05292	3.0
55.05519	24.0
57.03445	3.4
57.04206	2.3
57.07071	8.0
67.05510	50.6
69.07072	38.5
69.74316	11.0
71.08646	4.5
79.05495	28.2
81.07064	100.0
83.04987	3.8
83.08636	18.2
85.06544	5.2
91.05499	24.5
93.07053	44.7
95.04980	13.4
95.08611	84.8
97.06557	9.4
97.10194	12.6
99.08099	5.1
101.06057	2.6
105.07035	36.1
107.08607	48.9
109.05449	2.4
109.06539	5.4
109.10164	43.5
111.08078	19.3
111.11726	6.6
117.07076	6.5
119.08578	36.4
121.10159	37.8
122.42831	2.2
123.08111	3.0
123.11702	24.0
125.09689	6.9
129.07066	2.9
131.08566	13.4
133.10139	27.0
135.11707	25.3
137.09700	3.4
137.13307	8.5
139.11247	4.3
143.08594	6.6
145.10110	20.9
147.08055	3.9
147.11702	27.2
149.09729	3.1
149.13289	20.4
151.11179	6.0
151.14804	3.3
153.12691	2.8
157.10132	11.5
159.11705	25.6
161.13225	16.8
163.14841	13.4
165.12796	10.9
169.10056	3.0
171.11728	9.3
173.13321	15.1
174.79176	2.8
175.11313	2.4
175.14885	14.8
177.12781	2.4
177.16400	7.8
185.13300	6.6
187.14839	13.0
189.16483	9.0
191.17973	3.5
197.13394	3.2
199.14883	10.3
201.16374	12.5
203.18042	7.3
205.15775	3.1
213.16426	9.6
215.17969	7.3
217.15987	3.7
217.19485	5.0
219.17520	3.9
227.17903	4.3
229.19548	5.1
233.19308	3.2
239.18097	2.6
241.19542	5.1
243.21167	3.1
245.19194	3.4
255.21161	4.6
259.24268	15.1
269.22623	3.6
277.25397	14.8
287.23657	2.7
299.23627	3.2
321.11337	2.8
325.29141	6.8
351.30048	10.3
369.24313	3.8
369.31631	82.0
369.38824	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	369.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	12.5
57.07073	11.4
60.08147	3.6
67.05501	34.4
69.07067	23.9
71.04991	11.2
71.08621	5.0
71.52214	7.6
79.05512	19.8
81.07065	100.0
83.08620	13.8
91.05490	26.2
93.07047	55.8
95.04939	4.6
95.08617	87.3
97.06553	14.3
97.10178	10.6
105.07045	32.7
107.08601	57.0
109.10167	50.0
111.08094	7.4
119.08595	44.1
121.10152	51.3
123.11711	26.5
131.08578	12.0
133.10133	23.9
135.11707	29.4
137.09605	4.0
137.13261	8.2
143.08595	5.7
145.10089	18.3
147.11685	24.6
149.13249	38.9
157.10132	9.3
159.11711	23.5
161.13266	25.7
163.14841	19.9
171.11803	5.6
173.13318	12.3
175.14848	14.4
177.16432	6.0
185.13312	6.2
187.14835	13.3
189.16377	25.6
191.17973	17.4
198.18582	10.9
201.16420	9.4
203.17989	13.6
213.16368	5.2
215.17946	12.2
217.19572	10.7
226.41713	5.4
227.17976	8.0
229.19627	9.4
232.06224	3.6
255.21202	5.1
257.22681	7.5
269.22617	5.8
299.23618	5.4
327.07791	5.4
351.30603	25.2
369.27628	6.2
369.31638	83.7
369.42841	8.9
370.31726	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	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	16.2
57.07074	0.8
60.02492	0.8
65.03907	0.8
69.03433	2.1
70.06605	2.3
70.40958	3.2
70.70536	0.8
71.04998	14.9
72.08135	1.0
81.07039	1.1
81.74209	0.8
84.08142	0.9
85.02911	5.2
85.06518	0.8
86.09686	1.8
93.07082	1.3
95.04947	1.5
97.02898	2.1
98.97591	2.2
107.04980	0.9
113.06013	22.8
119.03432	1.1
127.03934	1.3
127.07555	1.2
129.10257	1.2
131.07048	20.8
145.08603	100.0
145.94223	1.1
146.08954	1.1
155.07094	1.6
158.99771	0.8
163.93279	0.8
173.08118	9.8
186.07330	1.3
191.09146	12.3
195.07838	3.3
197.21167	0.8
200.04430	0.8
269.10590	0.9
318.94052	0.9
370.19666	1.9
371.16730	2.1
389.14932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01868	5.8
56.96299	2.0
56.96570	27.7
57.03435	7.7
61.02932	14.5
69.03432	25.0
69.07089	1.5
70.06579	4.3
70.32724	3.0
71.04993	2.0
71.95263	2.1
72.93777	4.0
73.02925	9.4
81.03413	6.0
83.06100	2.2
84.08153	10.4
84.96037	10.0
85.02911	52.1
86.03236	1.4
86.09711	64.3
87.04464	2.1
91.03954	2.1
97.02898	21.5
98.97593	88.0
99.04463	4.8
100.00165	1.4
101.00863	5.5
102.01009	2.1
107.04942	6.8
108.19586	1.2
109.02892	4.3
109.99382	1.0
110.07159	8.9
110.68396	1.4
110.96844	2.1
110.97580	35.6
111.07520	1.8
111.67552	1.2
112.99152	6.4
113.00797	2.2
115.02406	2.1
115.03930	3.1
115.61841	1.3
116.98625	31.6
119.01926	9.2
119.04975	3.2
122.07153	3.7
123.04414	1.4
124.99104	2.1
127.03927	34.8
128.98621	31.1
129.10161	1.7
131.00168	4.4
131.01904	3.5
131.04854	1.7
132.01990	1.2
132.10213	48.3
132.95865	7.1
133.03525	1.9
134.99704	6.4
137.05946	6.3
140.98607	2.4
143.00183	6.1
143.01881	6.3
144.95793	3.2
145.03473	4.7
145.04926	9.0
146.99660	13.8
147.04417	5.2
148.02980	1.6
150.05426	1.7
150.96945	1.3
152.05707	1.4
152.98593	11.0
155.01823	2.5
157.02533	2.2
158.97400	2.0
158.99661	7.6
161.01221	5.4
161.02943	4.7
162.03127	1.3
162.96928	2.1
163.04544	1.5
165.00685	1.4
167.01909	3.3
167.07039	2.4
168.95808	1.6
170.97368	2.0
170.99673	13.5
171.01137	2.5
173.02907	4.2
174.96867	8.7
175.04617	1.5
176.29034	1.3
177.00880	11.0
181.03540	1.2
185.03006	6.9
186.96907	5.0
189.00685	6.1
190.95251	1.8
191.02475	3.5
191.04027	1.8
193.50349	1.2
195.05000	1.8
197.03006	1.3
198.96991	7.2
199.05299	4.5
201.00758	7.8
201.02431	1.8
203.02409	3.1
203.04080	3.3
204.98021	1.7
205.00264	2.2
206.04150	1.8
208.05734	4.0
208.09959	2.5
212.02950	1.3
213.00838	1.4
216.98033	3.8
219.01805	67.7
219.05090	2.6
221.04930	7.7
222.05377	2.8
227.02231	5.4
229.00391	5.9
232.95938	1.7
233.03450	4.5
234.04860	1.6
234.99022	7.4
237.02850	100.0
242.03596	4.4
244.04208	2.6
245.05011	6.7
247.01346	2.2
251.06055	2.2
255.03801	6.1
257.03424	3.1
263.02255	2.2
267.06375	2.3
272.08176	3.0
274.01620	1.4
277.00052	17.1
284.16049	1.4
287.00958	1.6
289.00287	1.7
295.01212	3.6
297.08517	1.6
299.00708	1.7
305.31946	1.4
307.01178	4.3
311.04596	1.9
328.05643	2.7
329.02139	2.5
329.05487	23.0
341.02167	1.4
346.06439	3.0
347.07056	9.3
348.07138	1.7
363.00012	1.5
370.01868	2.1
370.11728	17.3
371.06509	36.5
381.10431	2.1
389.07458	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	371.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	24.5
61.02924	1.0
61.74656	0.6
69.03424	2.6
70.06598	1.5
70.41459	1.4
70.41841	1.3
70.85208	0.6
71.95267	2.4
81.03412	0.9
84.08146	2.9
84.96040	11.1
85.02914	5.7
86.09711	2.9
87.02863	0.7
87.87280	0.6
97.02866	1.7
97.96857	0.8
98.19235	0.6
98.97588	100.0
101.00878	0.7
102.97042	0.6
107.04965	1.3
110.07166	0.7
110.97577	46.0
112.99144	6.2
116.98628	23.6
120.36103	0.6
124.99112	3.4
126.96990	1.5
127.03934	1.6
128.98613	26.6
129.10246	1.5
131.00180	3.7
132.10191	1.0
134.99681	2.7
137.05969	1.3
140.00195	1.1
140.98599	3.0
143.00186	8.5
144.98100	2.3
145.05005	0.9
146.99654	7.3
147.04373	0.9
149.01247	0.8
150.05531	1.0
152.98601	12.7
158.99649	7.4
161.01250	5.1
170.99680	13.5
172.94344	1.8
175.04434	0.7
176.42708	0.6
177.00752	4.8
179.00107	1.0
179.02281	0.8
182.99657	1.1
185.02890	0.9
189.00673	5.6
191.02327	0.6
194.99644	1.5
197.01184	1.1
201.00700	10.5
209.01221	1.9
213.00659	1.4
214.95569	1.2
215.02437	0.7
219.01782	75.7
227.02274	2.2
229.00400	0.9
232.96443	1.5
237.02834	89.4
239.02361	2.0
242.03407	1.9
251.02367	1.0
255.03792	2.6
257.03253	0.9
259.04529	1.1
260.04498	1.3
261.02823	1.2
263.02231	4.8
269.03439	1.3
277.00104	1.1
278.37051	0.7
279.04016	1.4
281.03384	2.2
284.95990	1.0
297.08179	0.6
311.04343	4.1
329.02209	0.9
329.05435	25.8
347.06570	12.6
371.06506	43.7
372.06754	0.7
389.07599	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	11.3
64.34103	7.0
69.03432	9.4
70.01779	28.8
70.06590	57.4
72.08157	13.5
73.04751	50.9
83.04997	8.6
84.04513	42.3
84.08160	39.5
85.02888	18.9
86.09698	33.1
90.94822	7.8
91.05825	100.0
95.02593	6.1
95.28302	6.4
97.02925	15.6
98.97573	31.2
101.06004	10.0
107.04938	31.9
109.02854	6.7
110.07182	9.5
110.97557	9.9
111.04458	8.4
116.98649	8.0
119.04952	10.0
119.85059	6.2
120.08110	68.7
124.02999	8.0
124.07579	9.0
127.03927	9.2
128.96356	7.5
128.98607	8.1
129.05481	6.5
129.10248	14.3
136.06239	9.0
137.05978	8.6
144.98093	7.3
145.04929	7.4
147.04376	18.3
147.06541	6.8
151.96448	5.9
158.99590	7.2
159.50262	6.5
167.06998	10.0
169.13768	6.1
188.39990	6.0
209.12833	22.7
215.74556	6.3
219.01779	19.4
225.06938	13.7
230.00928	8.0
234.99023	17.3
237.02829	22.2
268.97781	25.6
284.08347	6.8
285.00989	65.4
299.06253	7.6
355.06866	35.0
371.07321	28.2
371.13147	9.9
373.08252	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	371.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.7
54.75213	3.8
55.01659	3.9
55.01875	37.0
55.05504	10.8
65.03948	5.2
67.05498	4.9
69.03422	8.9
69.07058	3.8
70.98797	3.5
71.04980	5.3
71.51019	4.5
78.95090	3.6
79.00601	3.4
79.05499	18.5
79.29458	3.9
81.07054	12.7
83.04995	7.1
85.02902	5.4
85.06525	4.6
91.05467	21.9
93.07037	13.3
95.04976	11.9
95.08605	5.2
95.40827	3.3
103.05452	5.0
105.07026	27.8
107.04973	25.4
107.08585	9.7
109.06539	8.9
109.10140	7.1
111.04433	18.8
115.05468	11.8
116.06226	4.7
117.06999	8.8
118.04195	5.0
119.04963	4.4
119.08559	14.1
120.08092	17.8
121.10107	6.6
122.03651	7.3
123.04426	10.3
123.11742	5.4
125.05947	4.7
125.09625	4.8
128.06239	7.0
129.06990	17.8
131.04907	10.4
131.08603	7.5
133.06491	15.4
135.08087	5.4
137.05992	37.4
139.03888	9.8
141.06989	6.6
143.08569	4.6
144.05717	14.0
145.06461	11.7
145.10141	7.9
147.04407	6.7
147.08081	4.1
147.11710	5.1
149.09639	4.8
151.03941	11.8
151.07530	6.0
152.06216	4.9
154.07715	4.0
156.05687	8.2
157.06479	7.4
157.10109	8.0
159.08017	13.3
159.11705	7.4
160.05099	3.9
161.06004	21.8
161.09683	6.1
165.07036	16.3
166.07611	4.7
167.03406	9.4
167.07031	100.0
167.08446	7.6
171.04428	4.9
172.05263	5.8
173.06027	12.5
174.06783	4.8
175.07533	20.4
177.05534	9.7
177.07004	4.2
178.07834	12.3
179.08562	9.4
181.06508	11.2
182.07257	5.0
187.07478	27.5
189.05487	19.0
189.06966	5.8
189.09097	10.6
191.07054	11.0
191.08620	4.1
193.06519	5.3
194.07346	10.7
195.08148	4.6
199.07550	15.0
201.05452	12.1
202.06190	7.3
203.06963	4.2
205.06544	6.4
206.07310	11.1
207.08087	9.1
209.05960	9.8
210.06743	10.8
211.07678	6.8
215.06902	7.7
217.06755	4.8
217.08588	22.9
218.07289	13.2
219.08092	8.9
220.05200	8.6
221.06007	12.2
221.09702	5.9
222.06740	8.9
223.07588	7.0
224.08246	7.8
225.05524	4.8
225.09108	8.5
226.06088	4.3
227.07024	9.8
227.88449	4.0
231.08093	9.5
233.06024	9.7
233.09659	8.2
234.06732	9.0
235.07602	28.2
236.08315	6.0
237.05487	11.6
237.09015	14.0
238.06432	7.2
239.07042	14.2
241.08604	9.2
243.06557	4.7
245.05943	4.4
246.06854	4.9
247.07509	7.5
247.09807	4.9
248.08340	5.9
249.05502	9.7
249.09128	13.6
250.06221	8.3
251.07048	13.2
252.07861	11.8
253.05132	4.3
253.08611	27.0
255.06552	11.3
257.08139	5.9
259.07654	3.8
261.05502	7.8
261.09103	12.0
262.06192	7.0
263.07104	32.2
263.09918	4.8
263.10440	4.0
264.07843	9.0
265.04956	15.2
265.08554	22.2
267.06384	9.8
269.08057	9.5
275.07031	4.4
276.07874	4.0
277.08600	18.8
278.05582	6.2
278.09399	8.9
279.06516	11.2
279.09845	5.5
280.07364	19.0
281.08069	23.1
281.11249	7.4
283.06018	8.1
285.07599	9.3
289.08383	5.1
291.06412	5.5
291.09958	5.4
292.07281	8.0
293.08072	45.7
293.11447	10.0
294.08737	6.1
295.09506	24.2
297.07309	6.2
298.08521	6.6
300.09888	11.5
301.10709	4.9
305.08130	6.4
306.08884	7.7
307.09476	10.8
308.06866	8.8
309.07556	21.3
309.11243	15.3
310.08304	7.5
310.11865	3.9
311.09085	8.3
311.12814	5.7
313.10709	20.7
321.07645	8.8
321.11197	20.4
322.08414	37.7
323.09149	88.3
325.10602	19.1
335.09314	6.1
338.11353	4.5
339.12088	7.9
340.09274	10.3
341.10239	82.8
341.13940	10.2
353.10083	10.6
353.13824	24.5
371.15158	31.4
371.25839	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	371.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61379	3.8
53.03943	5.6
55.01880	29.5
55.05515	7.7
57.03425	5.7
65.03950	6.8
67.05508	18.9
68.53532	4.3
69.03423	6.0
69.07085	8.7
70.06587	4.1
71.04971	4.0
71.50576	7.2
77.55895	3.8
79.05486	22.1
81.03410	8.1
81.07059	20.4
83.04969	5.5
85.02908	9.6
91.05486	13.8
93.03399	4.7
93.07053	12.0
95.04943	7.1
95.08606	10.4
96.02090	3.7
103.05449	6.4
105.07021	15.8
107.04974	33.0
107.05595	5.8
107.08599	17.7
109.02822	4.6
109.06493	6.6
109.10190	9.0
111.04451	16.9
115.05466	11.9
117.07017	7.8
119.05001	5.3
119.08578	11.8
121.10125	8.8
123.04414	11.2
124.05280	4.6
126.86814	3.9
127.03918	4.2
128.06206	6.0
129.07033	15.4
131.04936	17.3
131.08545	4.5
133.06506	13.4
133.10101	6.0
135.04453	4.9
135.08090	5.3
135.11705	4.4
137.05994	39.0
139.03920	7.2
144.05756	8.4
145.06496	11.3
145.10220	5.0
147.04384	9.7
147.11670	7.3
149.09644	5.7
151.03841	6.3
152.06168	4.6
153.05406	5.5
155.04942	4.7
155.08542	5.8
156.05600	5.2
159.08063	8.4
161.06021	17.8
163.03844	6.3
165.05629	5.4
165.06981	12.1
165.12755	4.6
166.07800	5.0
167.03371	7.0
167.07060	100.0
167.08472	4.5
168.05798	4.8
171.11679	4.1
172.05231	4.8
173.05963	6.8
174.06789	9.5
175.07553	22.6
177.05504	9.0
177.06946	4.7
178.07799	4.9
181.05043	5.2
181.06491	8.9
184.05226	4.2
185.06009	7.6
187.07535	19.1
189.05472	20.9
189.07005	7.7
189.09152	6.2
191.07059	14.8
191.08719	5.9
191.14378	9.1
193.06454	5.9
194.07324	10.8
199.07529	16.0
201.05490	9.1
202.06270	10.7
203.08624	8.2
205.06549	6.5
206.07275	5.9
207.08090	8.5
208.08849	4.0
210.06781	11.6
211.07553	7.9
215.06969	7.3
217.08667	23.8
218.07294	8.9
219.08083	8.6
220.05272	7.8
221.05948	11.6
221.09673	6.7
222.06783	7.8
223.07504	7.5
224.08298	4.7
225.08929	4.8
227.07074	5.7
231.07956	4.9
233.06036	9.2
233.09564	11.6
234.06825	8.8
235.07573	26.5
236.79611	4.1
237.05441	10.2
237.09108	10.3
238.06247	5.9
239.07101	9.6
240.07652	4.8
241.08641	10.6
243.06390	5.2
247.07510	11.1
247.09778	5.5
248.04591	5.4
249.05435	11.0
249.09082	9.3
250.06259	10.7
251.07043	13.2
252.07733	12.0
253.08588	25.2
255.06558	8.1
261.09058	11.4
263.07068	25.8
264.07782	6.5
265.05127	9.3
265.08527	14.9
266.05792	5.9
267.06622	6.6
267.10062	3.8
269.08005	6.3
276.07825	5.2
277.08582	19.5
278.05832	9.8
278.09387	6.3
279.06479	12.3
279.10010	8.2
280.07355	18.2
281.08115	17.1
281.11630	8.2
283.05960	5.8
285.07587	10.8
285.10956	6.6
289.08551	8.4
291.06329	6.3
292.07434	10.3
293.08102	40.5
293.11392	10.5
294.08875	4.1
295.09662	11.3
297.07797	7.7
297.11145	4.7
298.08340	6.8
300.09894	15.0
305.08020	6.1
307.09583	9.6
308.06778	10.3
309.07550	23.1
309.11124	13.6
310.08224	6.8
311.09070	8.8
311.12698	5.2
313.10614	17.5
321.07632	4.8
321.11169	16.9
322.08365	25.3
323.09149	68.5
325.10583	12.3
326.11478	5.3
339.11969	15.4
340.09369	8.2
341.10233	70.3
341.13879	9.0
353.06390	5.3
353.10098	13.7
353.13797	20.4
371.15137	34.9
371.29211	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24179	1.3
55.01866	1.7
60.70937	1.3
66.08562	1.5
70.85979	3.1
70.86320	2.1
74.20557	1.3
77.03915	1.4
78.04727	3.2
79.05511	9.7
84.05334	1.5
86.25441	1.3
91.05466	4.6
103.05459	3.6
103.67156	1.3
105.07014	5.9
106.04191	1.6
107.04971	15.0
115.05409	3.8
116.06208	2.0
117.07008	1.9
118.04155	1.6
119.08575	2.9
121.06480	1.6
123.04462	6.7
124.05167	4.7
127.07562	1.2
128.06200	3.6
129.06979	7.0
130.74220	1.2
131.04895	4.6
132.05682	3.9
133.06474	4.6
137.05972	3.3
141.06984	2.3
143.04836	1.4
143.18361	1.4
145.06459	1.6
147.04395	2.0
147.08015	4.4
152.04697	2.9
153.05528	2.1
157.06448	2.3
159.08046	6.5
160.05217	1.9
161.05989	8.8
167.07050	100.0
172.05226	2.5
175.07564	25.9
177.05496	2.9
185.16362	1.3
187.07552	19.4
189.06902	3.0
189.09006	1.7
190.07823	2.1
191.06992	4.5
199.07526	9.5
202.07773	3.0
203.08514	4.0
206.07309	3.2
207.08092	1.8
209.08017	1.6
215.08508	2.0
217.08597	2.8
218.07333	2.8
219.08046	4.3
220.09041	1.7
221.09621	4.1
231.08144	2.3
233.09634	2.3
234.06705	3.2
235.07506	3.4
245.99193	1.4
246.06598	2.2
247.07535	1.6
248.08081	1.8
249.09125	3.6
251.06902	2.4
258.06335	1.5
261.09164	4.7
263.07050	3.5
263.10556	1.4
265.08493	2.3
266.09366	1.9
277.08566	4.9
278.09424	3.3
281.11755	8.2
289.08539	4.5
293.11520	2.5
301.56473	1.7
307.09656	2.1
309.11160	9.2
321.11136	7.2
322.11920	2.3
326.11404	2.0
341.13800	7.0
353.13803	4.5
371.14841	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75948	0.9
67.70379	1.0
68.11812	1.1
70.68784	2.1
70.69145	1.9
78.04694	3.7
79.05493	6.2
81.03425	1.2
81.07047	1.5
91.05479	4.7
95.04967	4.6
100.11232	1.2
103.05466	3.5
104.57224	0.9
105.03400	1.1
105.07066	5.0
106.04185	2.2
107.04966	13.1
115.05424	3.9
116.52141	1.1
117.07040	2.2
118.04068	1.2
119.08582	2.5
121.06467	2.7
122.03635	1.8
123.04433	6.7
124.05191	3.2
128.06227	4.3
129.07011	7.8
131.04918	6.1
132.05699	4.1
133.06491	3.3
136.75105	1.1
137.06006	3.7
144.05669	2.4
145.06505	3.1
147.08057	5.6
149.06033	1.5
151.07492	1.1
152.04758	2.4
153.05421	1.8
155.04915	2.2
156.05727	1.4
157.06537	1.3
159.08083	6.3
160.05197	2.1
161.05986	8.0
163.07564	1.6
163.93108	0.9
165.56931	1.0
167.07056	100.0
168.07381	1.7
171.08083	1.3
172.05206	2.5
175.07562	31.5
177.05447	2.6
177.09128	1.3
177.67967	1.1
185.05995	1.4
187.07568	16.2
189.06989	1.2
189.09131	1.8
190.07765	2.2
191.07031	8.3
191.08514	1.9
191.14230	1.9
199.07568	6.9
202.07721	1.1
203.08586	2.9
205.06566	1.2
206.07193	1.6
209.08188	1.8
209.15363	1.2
215.08577	2.8
217.08655	2.3
218.07318	2.1
219.07988	3.6
220.08904	1.8
221.09595	3.0
231.08083	2.3
233.09604	3.2
234.06718	3.5
235.07556	3.4
243.08226	1.1
246.06932	1.1
247.07547	2.2
248.08362	1.8
249.09161	6.8
261.09094	4.1
263.07077	3.2
264.07993	1.3
266.09348	1.4
277.08752	5.5
278.09314	2.0
281.11755	8.4
289.08603	2.9
289.77588	0.9
291.81601	1.0
293.08496	1.4
293.11819	2.2
294.08878	1.3
306.08981	1.2
307.09720	2.3
309.11295	9.0
321.11185	6.5
326.11484	3.2
339.12283	3.7
341.13828	10.0
353.13855	5.4
371.14822	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	371.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93280	1.5
55.01888	4.3
65.03937	1.7
70.63775	4.1
79.05487	8.1
81.07075	3.7
91.05495	12.8
93.07068	2.3
94.04202	4.1
95.04967	3.7
103.05471	3.2
105.07037	2.5
107.04961	22.8
107.73005	1.9
109.06534	3.6
111.04513	2.2
115.05472	6.8
116.06244	4.3
117.07040	2.3
119.04951	3.6
121.06475	3.2
122.03632	9.0
123.04433	3.7
124.05202	3.5
128.06226	7.1
129.07016	16.1
131.04958	5.1
131.08542	11.1
133.02814	1.7
137.05986	100.0
141.06990	5.2
143.04930	2.0
144.05713	10.4
145.06483	6.4
147.04431	2.7
149.06009	2.5
151.03911	5.4
151.07501	4.1
152.04781	1.7
153.05557	2.3
156.05696	24.1
157.06511	5.1
158.07265	3.3
159.04402	2.0
159.08054	16.2
160.05222	4.6
161.05960	4.4
163.03914	1.7
165.07088	1.9
167.03386	2.0
167.07054	44.6
167.08453	4.0
169.06432	4.3
172.05241	4.9
173.05974	3.9
174.06760	7.3
175.07538	17.4
177.05452	4.9
178.07773	6.1
179.08594	4.1
181.06403	3.7
181.08638	2.0
185.06012	2.8
186.06760	4.4
187.07558	18.4
189.05467	3.5
189.07031	4.7
189.09114	7.3
190.07736	5.9
191.07028	2.5
191.08589	3.3
193.10130	2.6
195.08151	2.7
198.06786	3.2
199.07526	3.7
201.05383	2.4
201.09192	2.9
202.06268	8.3
203.06989	2.1
203.08638	11.1
205.06512	5.0
205.08549	3.0
205.10251	2.7
206.07300	6.2
207.08093	7.3
209.05989	4.2
210.06775	4.1
211.07677	5.2
215.07031	7.3
215.08713	4.6
217.08609	62.4
218.07253	14.6
219.08035	8.5
219.10013	3.3
219.97160	1.8
220.08751	2.7
221.06007	4.8
221.09676	8.8
222.06915	2.5
223.07568	5.5
224.04823	2.4
225.09174	2.7
225.26260	1.6
226.06299	4.8
227.07014	3.5
231.08041	8.8
232.08850	5.5
233.09584	16.6
234.06737	11.8
235.07571	14.1
236.08386	3.2
237.05464	5.0
237.09106	4.0
238.09833	3.2
239.07106	21.4
241.08636	14.9
242.05717	4.6
246.06827	7.2
247.07527	8.4
247.09702	26.3
248.08252	4.5
249.05382	3.2
249.09122	20.5
250.06264	4.1
250.09830	5.0
251.07089	7.8
251.10619	3.5
252.07782	10.0
253.05009	3.5
253.08601	3.3
255.06673	2.3
256.03607	2.2
256.07175	2.0
257.08209	4.9
259.07709	2.6
260.08371	5.3
261.09113	30.2
262.06323	3.8
262.09775	4.9
263.06985	13.9
263.10748	4.4
264.07947	3.1
265.08636	5.6
266.09418	7.1
267.06506	2.9
267.10092	2.1
269.08093	11.3
271.06091	6.5
275.07153	2.2
275.10327	1.8
276.08017	2.0
277.08652	18.8
278.09399	15.3
279.06805	3.2
279.10040	2.8
280.07285	7.5
281.08243	2.8
281.11737	5.7
282.08823	2.2
285.07593	43.3
286.08298	3.4
289.08636	10.7
290.09314	2.7
291.06442	1.8
291.10126	4.7
292.07214	2.7
292.11038	2.4
293.08148	9.2
293.11734	18.0
294.08798	5.2
295.09695	6.8
300.09927	47.5
301.10751	11.6
306.08862	6.3
307.09756	8.5
308.06790	2.0
309.07516	4.6
309.11185	19.7
311.09116	4.1
313.10583	12.1
321.11212	30.2
322.08276	5.1
322.11829	4.4
323.09204	17.2
326.11499	19.5
327.12027	2.3
335.58722	1.9
338.11508	6.6
339.12012	3.9
341.10297	8.7
341.13882	7.3
353.10251	2.3
353.13834	49.1
354.14148	2.4
371.14944	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	371.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57755	2.7
53.03943	3.0
55.01873	4.0
55.05484	3.5
67.05492	3.9
67.56690	2.7
70.06564	2.5
71.04988	2.3
71.17865	3.9
77.03163	2.6
79.05482	14.8
81.07047	8.8
83.05018	2.7
87.22804	2.7
91.05487	14.2
91.58178	2.2
93.07052	7.1
93.40887	2.1
94.04167	4.0
95.04949	4.6
95.08594	5.2
103.05452	6.9
105.07083	5.7
107.04948	23.0
107.08585	5.2
109.06489	5.1
115.05428	6.3
117.07012	3.8
119.04916	2.6
119.08543	4.9
121.10150	2.9
122.03630	9.8
123.04407	2.7
124.05202	3.4
128.06218	7.0
129.06990	11.3
131.04933	5.1
131.08559	10.5
133.10066	3.8
135.08052	2.7
135.11710	2.3
137.05981	100.0
141.06949	5.0
144.05710	10.0
145.06476	3.7
145.10165	3.3
147.04385	3.4
149.06007	5.4
151.03926	4.8
151.07526	5.6
152.04694	3.2
156.05696	22.9
157.06520	11.2
157.07674	2.4
158.07266	4.8
159.08075	23.2
160.05211	4.5
161.05997	5.2
163.03896	2.7
165.05576	2.6
165.06944	2.5
167.07048	57.4
169.06482	3.2
172.05211	5.1
173.05927	3.2
174.06760	7.4
175.07570	16.3
177.05492	6.7
177.09113	3.5
178.07718	2.8
179.08641	2.2
181.05009	4.1
181.06488	4.1
186.06760	3.0
187.07516	23.3
189.05579	3.5
189.07198	3.0
189.09056	5.8
190.07753	4.8
191.06964	6.0
191.08557	4.8
193.10097	4.8
198.06654	3.3
201.09126	3.3
202.06238	7.0
202.07838	3.3
203.08481	9.2
205.06563	5.4
205.08531	4.8
205.10304	3.0
206.07262	7.5
207.08066	7.4
211.07516	3.8
215.06860	3.6
215.08597	7.3
217.06564	5.9
217.08606	72.1
218.07275	13.1
219.08006	10.1
219.10031	4.9
220.08882	2.9
221.09618	7.6
223.07652	3.0
226.06268	3.9
229.08638	3.0
231.08078	9.2
232.08919	4.6
233.09648	17.6
234.06819	12.3
234.09830	2.5
235.07483	13.7
237.05247	3.3
237.09009	3.0
239.07062	20.7
241.08582	14.7
242.05635	5.4
246.06761	8.5
247.07410	5.7
247.09677	25.0
248.08371	5.3
249.09081	24.5
250.09792	7.7
251.07028	6.3
252.07773	10.5
256.07135	2.8
257.08109	4.8
260.08487	5.2
261.09106	24.8
262.06290	3.6
262.09741	3.1
263.07016	12.9
263.10675	4.3
264.07874	2.9
265.08502	4.1
266.09363	8.1
267.09943	2.6
269.08105	9.3
271.05963	4.7
277.08627	21.1
278.09387	12.1
279.06546	7.0
279.10034	6.1
280.07254	4.8
281.08539	2.9
281.11688	8.6
283.09573	2.6
285.07593	44.2
286.08295	3.9
289.08612	10.2
290.09186	2.8
291.06424	3.2
291.10046	4.3
293.08093	8.0
293.11673	18.3
294.08856	2.6
295.09631	5.5
298.08182	4.4
300.06659	3.4
300.09924	45.6
301.10645	11.5
306.08792	6.5
307.09595	7.5
309.11185	17.9
311.09229	4.7
311.12756	4.8
313.10593	11.5
321.11246	34.0
322.11810	3.8
323.09125	8.1
325.10446	3.2
326.11414	18.0
338.11459	6.7
341.10251	3.4
341.13791	13.9
353.13843	51.1
354.14188	2.9
371.11258	2.6
371.14954	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	371.1475
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
52.38099	5.7
53.03953	6.5
61.02927	7.0
64.44756	7.4
67.05526	7.8
69.03418	16.8
70.06590	22.7
70.94325	14.3
73.04750	6.2
79.05485	8.9
81.03420	10.4
81.07050	11.0
84.08147	28.9
85.02894	23.7
86.09698	18.3
91.05456	9.7
95.04974	100.0
98.97589	29.6
99.04466	21.8
103.05453	16.2
105.07028	20.6
107.04951	24.4
109.02872	10.2
117.06966	6.6
119.04967	10.0
121.06529	6.9
124.05233	10.9
127.03888	8.5
129.07031	8.2
129.10251	8.0
130.87123	6.4
131.04955	8.1
133.06529	11.8
133.10107	6.3
137.05984	23.8
149.06042	8.3
153.09154	33.9
159.08054	10.0
161.05974	10.2
163.07521	7.4
167.07028	72.4
175.07581	16.3
182.00110	6.1
187.07593	31.7
191.07111	8.5
193.08618	13.1
195.14032	6.7
206.64063	8.3
209.15369	39.7
217.08540	12.7
242.11789	17.6
262.16248	7.5
263.06558	7.1
309.11154	12.9
353.13733	13.9
371.15228	76.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	7.3
58.73341	6.7
67.05475	7.1
69.03447	9.7
70.06569	9.6
71.35226	10.2
72.08143	7.9
79.05472	15.1
81.07059	14.6
85.02926	8.6
91.05476	16.2
93.07049	9.4
95.08634	7.5
98.97580	22.7
101.06025	9.7
102.36975	7.2
103.07543	7.0
105.07025	9.6
107.04932	26.0
107.08587	11.0
109.42690	6.5
110.97555	9.2
111.38871	6.9
115.05464	11.5
117.31002	6.5
120.00496	6.7
124.05190	12.9
126.24155	6.7
128.98608	10.3
129.07021	14.8
131.04926	12.0
131.08513	9.4
133.10141	70.9
135.08052	7.7
137.06006	47.6
137.09616	50.8
147.04549	9.1
149.13245	14.4
151.03891	14.4
155.32710	7.8
156.05666	8.0
167.07043	100.0
175.03725	9.9
175.07518	19.9
178.02263	6.6
181.05017	10.2
187.07520	32.5
189.09108	12.5
191.14276	25.8
201.09158	11.9
217.08475	20.7
218.07265	15.4
219.01791	17.0
227.09702	9.1
231.08110	9.9
233.09651	14.1
235.07593	12.7
237.02742	21.7
249.09000	24.5
261.09064	16.3
263.06940	10.7
265.08337	7.8
277.08524	29.5
278.09332	8.9
281.11682	12.2
293.08032	8.4
293.11572	10.9
300.09991	10.4
307.09631	9.4
309.11118	22.7
321.11154	20.6
339.12143	27.8
341.13776	13.9
353.13892	19.3
371.15030	55.3
389.14966	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93724	7.4
69.38620	71.1
79.05469	8.4
81.07053	8.7
105.07040	11.5
107.08595	10.5
133.10124	100.0
137.09615	62.4
149.13321	12.6
151.03925	9.0
167.07059	27.3
173.13297	10.1
191.14314	30.5
217.08739	15.1
219.33908	8.6
264.07825	9.9
270.05457	8.5
333.09882	8.2
339.12296	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	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
57.03432	2.7
61.02929	3.8
65.99542	1.8
69.03432	10.2
69.07063	2.2
71.21661	3.0
74.59107	2.0
81.03420	5.3
81.07063	3.4
83.05019	2.5
85.02907	22.9
93.07038	3.1
95.04960	3.4
95.08622	3.5
97.02893	7.3
99.04471	2.2
99.08119	1.8
105.07067	2.4
107.08601	8.3
109.02872	2.9
109.06497	5.5
115.43766	1.8
119.08617	2.9
121.10139	9.4
122.07321	2.9
123.08084	4.1
127.03915	5.5
133.10085	3.5
135.08052	3.1
137.09653	10.4
145.04982	5.3
147.11708	2.7
149.09636	7.5
149.13264	4.9
151.11180	12.6
165.12762	38.8
167.07095	3.1
191.14302	13.5
205.03230	1.8
209.15379	100.0
210.15822	4.9
258.51218	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90394	1.4
53.03924	1.3
59.63041	1.4
67.05496	4.1
69.03442	7.4
69.07075	2.4
70.06591	7.0
71.04993	5.8
71.12111	2.5
72.08160	1.6
73.04763	2.2
79.05479	4.1
81.03405	4.6
83.04978	5.1
83.08633	1.7
84.08135	5.8
85.02905	15.0
86.09698	2.9
90.79913	1.5
91.05447	4.7
93.07033	2.9
93.15006	1.4
93.98518	1.7
94.04161	1.8
94.06140	1.5
95.04968	100.0
97.02889	6.3
98.97623	3.3
99.04459	21.1
101.05972	1.8
103.05467	5.4
105.03371	2.1
105.07036	10.5
107.04929	10.3
107.08588	2.4
109.02904	2.5
109.06523	2.0
115.05472	2.2
119.04915	2.4
119.08626	2.2
120.08132	1.9
121.06508	4.6
123.04408	3.7
124.05193	2.0
127.03918	3.3
128.06227	2.4
129.07031	2.3
131.04973	2.6
131.08620	1.7
133.06491	6.8
133.10109	5.0
137.05988	4.9
137.09677	1.9
145.04956	2.8
147.08043	2.7
147.11809	1.4
149.06012	4.2
151.03888	2.1
151.07555	2.0
151.11168	2.1
152.04778	2.0
153.05423	1.4
153.09099	30.4
156.12520	1.4
159.08070	2.7
161.06004	7.1
161.81491	1.5
163.03864	3.4
163.11359	1.6
167.02367	1.4
167.07056	35.8
172.05185	3.1
173.13283	4.4
175.07542	8.3
177.05472	1.9
177.09169	1.7
187.07510	14.8
191.07047	3.5
191.14345	4.4
193.08603	6.6
199.07458	2.4
209.08092	2.3
209.15355	27.4
217.08545	3.1
219.08075	2.5
221.09644	1.9
227.09430	2.5
233.09550	2.1
242.11829	4.5
247.07413	1.9
249.08994	2.5
261.09155	2.8
277.08466	1.9
279.10233	1.6
281.11798	3.8
285.01041	2.4
287.08063	1.5
289.08719	3.0
289.82791	1.7
309.11258	3.8
310.11984	2.0
311.66776	1.6
321.11212	3.1
326.17584	4.6
339.12457	2.7
353.14001	5.5
371.16602	24.6
371.20309	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03945	2.1
61.02942	2.3
67.05508	3.1
69.03429	12.3
69.07091	2.0
69.64628	8.8
70.06590	4.9
70.27744	1.6
79.05518	2.6
81.03423	8.0
81.07047	3.6
83.04974	3.2
84.08138	2.5
85.02914	26.2
90.65611	1.7
91.05450	2.5
93.07034	2.0
95.04977	2.3
95.08602	2.8
97.02892	7.5
98.21513	1.9
105.07021	5.2
107.04983	1.8
107.08625	7.5
109.02881	2.8
109.06530	4.7
116.07088	3.9
121.10142	9.9
123.08053	4.4
123.11711	2.7
127.03885	5.8
131.08578	2.3
135.08122	2.8
137.06021	2.0
137.09634	11.6
145.04965	4.6
147.11624	1.6
149.09618	6.8
149.13255	5.1
151.11195	12.0
165.12749	44.1
165.14137	2.4
166.13074	2.5
167.07060	7.2
175.07590	2.5
187.07614	1.6
191.14354	11.9
209.15378	100.0
210.15868	3.6
231.05640	1.5
243.82191	2.0
249.09134	2.0
261.08887	1.7
274.42447	2.0
277.08676	1.8
299.21783	2.0
305.80856	1.9
359.81644	1.5
371.16760	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	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.1
55.05508	1.8
56.65030	1.4
57.03420	1.5
63.27706	1.5
64.52318	1.4
67.05466	2.1
69.03424	4.9
70.06591	5.4
70.14091	5.1
71.04996	4.4
72.08155	4.2
79.05465	1.3
81.03416	2.2
81.07072	1.6
83.04988	3.4
84.08150	2.9
85.02917	13.7
86.06073	2.3
86.09705	6.0
87.04468	2.6
89.06038	36.4
90.94103	1.3
91.05479	5.0
93.07056	3.7
95.04975	100.0
97.02895	2.4
98.20814	1.4
98.89375	1.3
99.04469	21.2
105.07045	3.3
107.04967	2.8
107.07101	1.3
107.08614	2.7
109.06535	1.3
109.10134	2.5
121.10154	3.3
127.03915	1.6
129.05450	2.1
129.07005	2.1
129.10146	1.5
131.08609	1.8
133.08626	19.1
133.10138	7.3
135.08023	3.1
137.06001	3.7
137.09602	1.5
139.11227	2.2
149.09637	6.2
151.11203	3.0
153.09103	31.5
161.06044	2.6
163.14868	1.9
167.07068	9.8
172.05191	1.8
172.77010	1.3
173.13260	4.0
175.07492	2.1
177.11197	3.5
187.07480	6.6
191.14365	4.3
199.14453	2.4
209.15408	29.3
249.09135	1.9
293.11688	1.5
321.11261	2.6
341.13861	1.6
353.13867	2.6
364.88522	1.3
371.17072	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	371.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01872	7.4
55.05518	38.0
57.03442	4.4
57.07079	11.7
61.29079	3.0
67.05181	4.9
67.05515	67.4
69.07072	43.7
69.43689	20.1
71.05010	5.6
71.08636	25.6
77.38184	2.8
79.05495	39.3
81.07060	100.0
83.05004	6.1
83.08627	20.8
85.06544	6.6
87.04475	4.9
91.03963	3.2
91.05441	15.1
93.07056	37.3
95.04990	4.0
95.08611	70.5
97.06548	8.9
97.10173	16.3
99.08108	21.5
100.36904	3.1
104.92299	2.7
105.07027	18.4
107.08588	39.8
109.10165	46.7
111.08104	9.4
117.07011	7.4
119.08562	16.5
121.10159	20.1
123.08079	3.4
123.11715	19.3
125.09665	13.6
131.08572	13.5
133.10129	13.8
135.08064	5.2
135.11693	22.0
137.05928	4.1
137.13268	10.5
145.10117	15.0
147.11722	14.9
149.09692	3.6
149.13286	11.9
153.12721	7.7
157.86169	3.0
159.11728	10.9
161.13272	8.2
163.14876	15.0
165.12778	4.8
173.11809	6.9
173.13211	7.6
175.14908	3.7
181.15851	4.6
187.14857	6.8
189.11284	8.3
191.14331	3.5
195.13773	4.3
201.16273	3.6
203.18021	3.7
209.15466	4.5
227.12807	5.0
233.22672	3.7
243.21124	7.9
245.13792	3.9
256.06970	3.0
261.22180	24.0
279.23212	50.3
353.26868	34.5
371.29572	7.5
372.34744	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	371.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	66.6
57.03442	14.1
57.07079	45.8
67.05511	74.9
69.06728	6.8
69.07073	80.5
69.57400	28.6
71.05007	6.2
71.08646	25.4
79.05136	5.5
79.05506	54.5
81.07056	100.0
83.04973	7.0
83.08616	59.2
85.06538	8.0
85.10198	13.6
88.07641	6.0
91.05475	21.0
93.07056	71.7
95.04961	4.5
95.08609	96.9
97.06542	29.9
97.10178	38.2
101.06049	5.5
105.07036	18.3
107.08607	57.0
109.06467	5.8
109.10165	53.2
111.08108	12.3
111.11731	16.4
116.07034	6.5
119.08584	24.7
121.10149	81.7
123.11744	25.6
125.09641	12.2
125.13280	4.4
129.05527	8.5
131.08598	5.6
133.10159	13.9
135.11691	59.4
137.13229	8.0
139.11217	6.3
145.10155	14.2
147.11678	9.7
149.13271	36.6
151.14815	7.6
153.12706	5.2
159.11703	6.7
163.14824	14.0
165.16388	4.8
167.14351	4.7
173.13275	6.4
177.16397	8.2
187.14812	5.3
189.16417	4.4
191.17966	13.7
199.14946	5.2
203.18080	5.3
217.19603	4.3
248.64061	4.5
261.25839	54.1
279.26831	55.7
321.69928	4.2
353.30725	36.7
354.30112	14.2
371.29422	12.9
372.40295	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01859	5.3
55.05517	8.3
56.05036	11.8
57.07076	1.7
58.99598	8.5
61.01154	3.3
65.03941	5.4
67.05183	1.7
67.05510	22.6
68.05028	5.5
69.07065	7.0
70.02956	2.6
70.06597	7.1
70.15393	3.5
70.15799	2.5
71.04992	4.3
72.08158	1.8
73.01143	5.0
74.00650	5.0
76.02223	4.4
76.04000	2.7
79.05489	17.7
80.05028	10.1
81.03417	2.8
81.07060	28.3
82.06591	14.1
83.04981	3.4
83.08614	5.4
84.04493	4.4
85.01138	8.8
85.04023	4.2
85.06548	7.7
86.00654	22.0
86.99055	5.5
87.02739	1.5
88.02236	7.0
91.05479	20.2
93.07043	20.4
94.06571	8.7
95.04992	1.4
95.07359	3.5
95.08614	11.1
96.08126	3.8
97.01125	29.2
97.06515	2.2
99.02685	10.5
100.02202	1.9
105.07028	14.6
106.06579	2.5
107.04949	5.3
107.08617	8.6
108.08131	6.7
109.02890	2.5
109.06488	3.8
109.10152	6.6
111.02680	5.8
111.08077	4.4
112.03967	3.4
113.03485	1.5
113.04240	3.0
116.01678	15.2
117.07027	4.0
119.08562	9.7
120.08107	3.4
121.06552	1.8
121.10126	4.2
123.02673	7.1
123.11736	2.2
125.04205	4.7
127.03905	2.6
127.05889	1.9
129.06995	5.0
130.05028	11.6
131.04619	2.1
131.08551	8.4
133.10132	14.4
135.02617	1.9
135.07993	1.4
135.11685	4.3
137.04208	4.1
137.05975	7.6
143.02725	5.2
143.37907	1.4
144.01161	2.4
145.06247	1.6
145.10118	3.6
145.54675	1.3
147.08076	1.4
147.11681	8.6
149.04210	3.0
149.13263	3.9
151.03891	2.7
151.05788	1.6
152.14366	1.4
153.05379	1.5
157.10115	7.8
159.11743	4.6
162.02168	2.4
165.07321	1.9
166.38066	1.4
167.06985	2.2
175.11159	6.4
177.03290	5.6
177.05479	2.3
177.12738	11.5
177.47208	1.4
181.10477	3.8
183.11679	2.2
189.03290	10.2
191.08875	5.2
193.12253	3.4
194.15401	6.2
195.13782	3.2
199.73785	1.5
204.13855	1.6
206.15379	7.0
209.09979	9.3
212.16478	12.4
217.10458	4.7
218.15404	2.5
224.16429	11.5
227.11041	5.7
235.11447	8.6
236.16495	3.5
252.14131	31.5
253.12653	1.8
253.54794	1.3
263.10983	1.5
269.07935	1.9
270.14749	26.2
270.17398	9.0
280.13638	16.9
299.68747	1.6
313.06982	2.8
327.17313	2.7
338.14288	3.4
343.07947	1.9
343.11615	2.0
355.17084	7.0
355.26279	2.6
356.15234	3.8
373.13135	6.5
373.17911	100.0
373.27512	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60925	0.5
63.57071	0.4
69.03413	0.8
69.58158	0.8
69.58564	2.4
72.08153	1.0
73.21954	0.5
84.08147	10.8
86.09698	1.6
96.04477	0.6
98.20756	0.9
103.03958	0.8
129.10245	5.3
138.05501	3.4
168.06685	0.8
185.30426	0.6
193.12000	2.9
195.13567	2.4
198.38190	0.5
201.03760	3.8
203.05273	9.1
317.99973	0.6
373.14856	4.6
373.18375	100.0
373.28180	2.4
374.18781	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
55.65450	0.5
56.05035	0.6
65.64434	0.5
69.07076	3.8
70.06596	6.2
70.81846	0.9
70.82183	1.1
72.08160	13.5
73.08485	0.5
74.48144	0.4
75.05724	0.5
81.07072	0.7
84.04517	2.3
84.08147	3.6
85.02908	1.2
86.09712	60.4
87.09993	0.6
93.07048	1.1
99.08094	0.6
102.05547	0.7
107.08577	1.1
111.31299	0.5
112.08737	1.1
113.07171	0.5
115.08695	1.3
119.08592	1.1
120.08096	1.2
121.10145	1.1
123.11740	0.5
129.10234	1.9
129.66295	0.5
133.10133	1.8
135.11711	0.5
145.18192	0.5
149.13251	2.0
157.13388	6.3
160.29129	0.5
167.07037	0.6
171.11348	0.5
175.11986	0.9
175.14853	0.9
181.06161	0.5
182.29143	0.5
185.12878	7.0
185.16466	4.3
189.12369	8.3
197.12799	0.6
211.16965	0.7
213.16092	0.5
231.16904	0.7
260.15891	0.5
270.90741	0.6
297.73331	0.5
304.16211	1.6
354.85254	0.5
373.18356	100.0
374.18790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
55.65450	0.5
56.05035	0.6
65.64434	0.5
69.07076	3.8
70.06596	6.2
70.81846	0.9
70.82183	1.1
72.08160	13.5
73.08485	0.5
74.48144	0.4
75.05724	0.5
81.07072	0.7
84.04517	2.3
84.08147	3.6
85.02908	1.2
86.09712	60.4
87.09993	0.6
93.07048	1.1
99.08094	0.6
102.05547	0.7
107.08577	1.1
111.31299	0.5
112.08737	1.1
113.07171	0.5
115.08695	1.3
119.08592	1.1
120.08096	1.2
121.10145	1.1
123.11740	0.5
129.10234	1.9
129.66295	0.5
133.10133	1.8
135.11711	0.5
145.18192	0.5
149.13251	2.0
157.13388	6.3
160.29129	0.5
167.07037	0.6
171.11348	0.5
175.11986	0.9
175.14853	0.9
181.06161	0.5
182.29143	0.5
185.12878	7.0
185.16466	4.3
189.12369	8.3
197.12799	0.6
211.16965	0.7
213.16092	0.5
231.16904	0.7
260.15891	0.5
270.90741	0.6
297.73331	0.5
304.16211	1.6
354.85254	0.5
373.18356	100.0
374.18790	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80850	0.3
55.05506	0.9
56.05020	0.4
57.05806	0.5
60.04523	0.5
65.37495	0.3
69.03408	0.4
69.07068	7.5
70.06590	3.5
71.51093	0.6
72.08161	11.7
75.70438	0.3
79.73680	0.3
81.03413	0.3
81.07066	0.5
83.06115	0.6
84.04510	0.9
84.08147	5.5
85.02911	1.2
86.09708	100.0
87.04446	0.4
87.10040	0.7
91.05486	0.5
98.97588	0.4
101.07227	0.3
103.05458	0.6
104.36517	0.4
107.04934	0.7
107.08545	0.5
112.08712	0.4
112.47913	0.3
114.09178	0.5
115.08702	1.3
116.07073	0.4
119.08685	0.4
120.08097	1.8
127.03990	0.3
129.10246	3.0
133.10193	0.5
137.05994	1.0
143.08185	1.6
143.11798	0.6
157.13367	14.6
157.82372	0.3
162.05446	0.6
166.08676	0.4
185.12860	18.7
189.12352	18.2
197.12805	0.7
198.10484	0.4
201.05551	0.5
203.05211	0.4
231.17111	1.8
242.14961	0.6
253.19096	1.2
254.46600	0.4
260.16071	1.6
298.21329	1.2
320.09338	0.3
373.18335	30.1
374.18546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	2.1
57.03425	1.0
61.02910	0.7
63.94862	0.5
67.05513	0.7
68.99789	0.6
69.03429	5.2
69.07071	8.2
70.06590	3.2
71.04989	0.9
71.51035	0.8
72.08163	2.2
74.06075	0.7
76.22988	0.4
81.03412	3.6
83.05010	0.7
83.06116	1.0
84.04506	29.1
84.08147	2.3
85.02914	5.3
86.09708	100.0
87.00818	2.4
87.09539	0.5
87.10029	3.0
91.05482	21.5
96.04505	0.8
97.02895	7.6
99.03885	0.7
99.04448	3.4
101.07139	0.7
102.05547	11.6
105.01888	2.4
105.07009	0.4
107.04960	2.2
109.02879	1.9
115.03989	0.6
120.08144	1.0
121.08931	0.5
124.03923	1.0
126.47095	0.6
127.03912	9.6
129.06601	13.8
129.07512	0.8
129.10298	1.1
130.05099	0.5
131.11804	0.6
132.10210	34.7
133.10448	0.6
135.04402	0.5
136.06184	2.8
137.05995	1.7
138.09149	1.0
141.06569	0.9
145.04950	5.2
149.02362	5.9
152.10735	1.5
163.03917	5.6
167.07100	1.0
169.13383	1.0
170.11769	6.2
171.03009	0.6
181.05017	2.1
187.06052	0.5
197.12860	22.5
212.12923	1.9
215.13916	35.5
225.12325	6.5
226.12564	0.6
231.04968	4.4
237.14139	0.5
242.10483	1.8
242.15117	1.0
243.13464	7.3
243.15454	1.7
244.13564	0.5
245.18716	1.5
249.06117	1.5
268.08115	0.5
369.03497	0.6
374.14294	1.4
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
52.13910	0.6
53.03944	2.8
55.01864	4.7
57.03436	2.6
60.35518	0.6
61.02921	2.5
65.03942	3.2
68.99777	1.0
69.03427	14.0
70.06594	2.9
70.79190	0.9
70.79517	1.2
70.92127	0.7
71.04982	2.1
73.02919	3.6
81.03416	10.9
83.01371	0.9
84.04511	2.5
85.02908	44.1
86.09714	9.4
87.00836	19.2
87.04473	0.8
91.05484	100.0
92.05811	1.5
95.61349	0.7
97.02894	13.2
99.04472	6.4
102.05554	1.5
103.03927	1.0
105.01872	28.1
105.07026	2.4
107.30498	0.7
108.04478	2.1
109.02882	11.6
115.17510	0.7
117.01846	1.0
120.08121	1.2
126.05579	1.0
127.03925	32.1
127.12735	0.6
128.31097	0.6
129.01840	1.7
129.06960	2.2
132.10213	3.0
133.06496	0.7
145.04971	16.8
145.06284	1.1
145.06570	1.1
147.02901	1.5
148.43828	0.7
149.05853	0.8
151.03931	1.1
157.06551	1.2
159.02892	8.0
171.07999	0.9
175.07567	1.5
181.06532	0.8
186.92793	0.7
189.03999	2.9
197.12909	1.4
199.07617	1.8
213.03957	1.1
215.13971	3.9
217.08545	0.7
217.86436	0.7
230.06618	1.3
231.04974	7.2
243.13443	1.6
249.06100	1.3
271.72052	0.6
295.06201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01864	2.2
57.03438	1.8
61.02925	2.0
65.03937	2.8
69.03437	12.6
69.53594	7.8
70.06587	1.5
71.05003	1.4
73.02911	2.7
81.03442	7.8
84.04513	1.5
85.02905	42.0
86.09695	6.8
87.00826	15.9
87.04459	1.5
91.05483	100.0
94.05902	1.1
97.02904	12.3
99.04460	4.6
102.05521	1.2
103.03981	1.6
105.01875	23.4
108.04499	3.0
109.02892	12.4
117.01881	1.8
126.05530	1.5
127.03921	28.4
129.01849	2.2
129.06920	1.2
143.08638	1.2
145.04944	15.6
145.06102	1.2
145.06544	1.3
147.02930	1.3
157.06480	1.7
159.02893	7.1
171.08061	1.9
175.07639	1.5
177.55716	1.0
181.06528	1.2
189.03928	2.9
197.12769	1.8
197.35837	1.0
199.07590	2.6
208.58717	1.1
215.13907	2.4
227.54547	1.4
230.06683	1.2
231.05052	8.9
243.13345	1.9
249.06053	1.0
292.57803	1.0
321.09564	1.3
353.80600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
54.46672	1.4
55.01871	3.7
55.05509	3.9
56.05018	1.9
56.96558	2.9
57.03439	3.2
61.02901	3.0
65.03944	3.9
68.99784	2.3
69.03433	18.4
69.20618	14.0
70.06599	34.1
70.37502	1.5
71.04982	5.2
72.08155	7.2
73.02907	4.2
79.05512	1.3
81.03422	14.6
84.04502	5.2
84.08140	6.5
85.02913	51.9
86.09713	31.0
86.82979	1.6
87.00835	19.0
91.05489	100.0
97.02899	19.8
98.97579	5.1
99.04455	7.9
102.05505	2.0
105.01870	29.0
105.07030	4.1
107.04939	2.0
108.04482	1.9
109.02897	14.8
109.10075	1.5
110.07193	7.0
110.97574	4.1
111.04443	1.5
113.36520	1.5
117.01844	3.0
120.08137	2.9
126.05481	1.3
127.03919	33.8
128.98601	2.9
129.01805	2.4
129.07022	2.0
129.10234	2.8
132.10201	2.1
133.06483	4.2
137.05997	10.2
145.04977	17.2
151.03896	2.2
155.08151	2.1
159.02911	6.1
159.11319	2.8
161.01210	1.8
161.05986	3.9
175.07530	4.6
182.15392	1.7
187.07530	2.4
189.03961	3.8
190.25227	1.5
197.12857	2.4
199.07640	3.7
213.03963	2.4
215.13937	4.9
217.08598	1.4
219.01807	6.3
220.16988	4.6
227.11369	1.7
231.05080	9.2
237.02849	5.5
243.13306	3.9
246.47868	1.3
249.05945	2.3
279.10040	2.1
280.10995	1.6
311.12842	4.1
338.21643	1.8
339.28214	1.5
374.14191	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	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73975	1.7
55.05530	1.8
56.05069	2.3
57.03434	2.8
69.03417	3.0
69.07060	1.9
70.06583	5.4
70.83593	2.3
70.83924	3.4
72.02768	1.9
72.08160	19.7
83.06126	2.9
84.04509	9.4
84.08157	3.5
85.02909	6.6
86.09712	29.3
87.10038	2.2
89.03923	8.4
97.02917	2.7
102.05553	3.2
109.02832	2.7
117.03410	17.6
120.08128	2.9
122.39238	2.0
124.07593	3.9
127.03920	2.6
129.10229	4.5
132.10190	1.9
135.04480	3.0
136.07660	4.3
138.09177	7.7
144.06560	5.9
145.01765	3.7
145.02844	47.4
149.05972	6.8
162.07622	12.5
163.03954	4.2
171.48390	2.9
176.10686	3.3
177.05476	100.0
185.16522	7.9
195.06548	43.9
197.14874	2.1
212.12865	14.5
213.15997	4.5
275.16043	4.7
374.18713	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
57.03429	1.4
61.02916	1.5
64.16801	1.0
69.03412	5.4
69.84626	3.5
69.85037	2.1
70.06579	2.1
71.05013	1.6
72.08151	1.5
76.23998	1.0
81.03420	3.6
83.06133	1.0
84.04498	4.3
84.08125	3.6
85.02901	9.7
86.09718	6.7
89.06032	61.9
92.68543	1.1
93.98234	1.0
97.02882	4.0
99.04462	2.0
107.04969	2.5
107.07059	4.3
108.08166	1.1
109.02840	3.7
111.14234	1.0
111.28238	1.2
123.20677	1.2
127.03919	75.6
129.10245	2.2
133.08600	21.4
137.22026	1.2
138.05449	1.7
145.04961	2.4
147.04372	1.9
151.09650	3.7
173.96239	1.3
177.11223	4.1
179.91599	1.4
195.12283	100.0
200.13934	1.4
279.05151	1.1
329.68384	1.1
374.15524	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	374.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
53.21953	0.4
55.01875	0.6
56.05030	1.8
57.03437	0.8
58.54943	0.4
67.05522	0.7
69.03439	5.6
69.07072	8.3
70.06594	6.4
70.52863	0.4
71.04990	1.1
71.06906	0.5
71.50877	0.4
72.08160	2.2
73.02927	0.5
81.03417	3.7
83.04982	0.4
83.06098	0.6
84.04508	31.6
84.08154	2.6
85.02912	6.1
86.09711	100.0
87.00843	2.2
87.04481	0.7
87.09509	0.5
87.10027	3.6
91.05487	20.1
96.04521	0.6
97.02905	7.5
99.04469	2.1
102.05554	13.1
103.03962	0.5
105.01842	2.2
107.04983	1.9
109.02892	2.3
120.08102	2.4
121.02899	0.5
121.08472	0.6
124.03948	0.8
124.79862	0.4
127.03927	10.1
129.06615	11.8
129.07513	0.8
129.10242	1.8
130.05090	0.5
131.11807	0.6
132.10217	31.5
133.10622	0.5
136.06201	4.6
136.07587	0.9
137.05986	1.2
138.09169	0.9
141.06581	1.1
145.04974	4.8
149.02345	7.3
151.03976	0.5
152.10707	1.4
163.03915	4.5
169.13379	1.3
170.11771	5.2
176.10736	0.5
181.04984	2.0
197.12881	22.5
197.14734	1.2
198.13185	0.8
212.09166	0.5
212.12888	1.7
215.13924	34.2
216.14288	0.6
219.42557	0.4
225.12354	6.2
226.12488	0.4
231.05011	2.9
242.10440	2.5
242.15012	1.0
243.08844	0.5
243.13339	7.0
243.15479	1.1
244.13879	0.6
245.18654	1.3
249.05995	0.5
267.96817	0.5
300.18967	0.5
310.21271	0.4
329.67783	0.4
366.18558	0.5
374.14517	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75263	0.5
50.84363	0.5
53.03946	0.9
54.51514	0.5
55.01876	0.6
55.05518	1.1
56.05028	2.1
57.03425	0.9
69.03434	5.3
69.07066	8.9
70.06593	37.1
71.06314	0.6
71.06934	4.5
72.08160	5.8
73.08469	0.5
74.60790	0.6
81.03413	2.9
81.07070	0.7
83.04981	0.8
83.06080	1.0
84.04507	28.9
84.08150	2.9
85.02913	4.1
86.09707	100.0
87.00829	1.6
87.09502	0.9
87.10021	4.1
91.05483	12.9
91.39682	0.7
93.07041	1.1
95.06130	0.6
97.02878	5.6
99.04460	2.1
102.05544	12.6
103.05460	3.0
104.05810	0.9
105.01868	1.7
106.81004	0.6
107.04954	2.4
109.02879	1.4
110.07172	1.0
112.08744	1.2
115.08681	1.5
120.08114	16.0
121.08450	4.3
127.03907	7.1
129.06606	14.1
129.10271	1.0
130.05048	0.7
132.10207	34.1
136.06198	6.9
136.07297	0.8
136.07472	0.7
137.05997	1.3
138.09146	1.5
141.06624	0.9
145.04951	4.2
149.02341	10.3
152.10732	1.0
155.08073	0.6
157.09822	0.6
163.03920	6.7
167.07085	0.8
169.13359	4.1
170.11784	6.4
170.13557	1.1
181.05002	2.6
194.10255	0.9
197.10631	1.4
197.12862	22.4
198.13205	1.2
212.12914	2.2
214.13161	0.7
215.13918	37.7
217.13423	1.1
225.12387	5.5
231.05048	2.5
242.10359	3.9
243.13275	5.0
243.15211	1.2
245.18536	1.3
249.06047	1.1
299.68683	1.4
300.18878	4.9
300.69003	1.5
303.55554	0.6
374.14761	1.9
375.13040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2289
Annotation	Ile Leu Glu
Peak:m/z	Relative Intensity
53.03934	0.4
56.05030	0.3
69.03437	0.8
69.07064	4.8
69.57681	0.2
70.06602	0.5
71.37496	0.6
71.37852	0.3
72.08154	0.5
81.03415	0.7
84.04500	2.7
84.08137	0.7
85.02923	1.0
85.34563	0.3
86.09709	100.0
87.05636	0.4
87.10049	1.0
91.19013	0.4
97.02921	0.4
102.05556	1.3
109.02893	0.5
114.09187	0.3
126.05488	0.4
127.03924	15.5
129.10237	0.5
130.05025	2.1
138.05525	1.1
145.05011	0.3
148.06055	6.7
159.02786	0.3
164.85240	0.3
199.18066	25.8
200.18425	0.5
213.11311	0.7
227.17558	11.4
261.14474	9.2
327.31064	0.3
374.23206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36312	0.2
55.05499	0.6
55.67215	0.3
56.05013	0.5
57.07081	7.7
58.06612	2.3
60.48518	0.3
68.04997	0.4
69.07050	0.4
69.31107	2.3
70.06596	17.8
71.08636	3.5
72.08153	0.6
84.08138	0.6
85.10178	1.8
86.06065	0.4
86.09685	0.3
88.07635	23.7
98.20729	0.5
102.09185	15.3
132.10179	1.0
141.28499	0.3
146.11722	0.9
150.11244	0.9
158.59424	0.3
268.29987	0.7
272.46228	0.3
286.30783	0.4
312.32614	39.3
313.32983	0.8
356.35333	2.6
374.36304	100.0
375.36719	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	375.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08210	1.4
55.01873	1.7
56.05059	1.3
57.03419	1.4
58.99846	2.3
62.32474	1.4
68.98294	1.9
69.03423	4.8
70.03496	2.4
70.03847	4.4
70.99859	5.4
72.93761	1.4
73.01408	1.2
77.00903	2.0
81.03400	3.6
82.99854	5.1
84.04482	1.5
84.08172	1.7
85.01446	1.4
85.02917	6.3
85.38345	1.3
86.99324	2.7
89.00896	3.0
91.02459	4.1
97.02888	2.4
99.04431	1.8
101.00890	51.5
103.02471	2.0
109.02847	2.7
109.03540	1.6
113.00867	10.1
115.02435	17.7
117.03989	2.0
119.01929	65.2
119.15198	1.2
124.79713	1.2
126.96852	1.1
126.98788	13.5
127.02412	3.3
127.03925	100.0
129.00279	1.8
129.04010	1.6
129.10258	1.6
131.01909	18.3
133.03481	25.9
137.02963	4.3
143.01906	11.6
144.99834	32.6
145.03461	7.2
147.01367	4.5
147.05005	2.2
149.02972	7.7
151.04552	2.1
154.98302	2.1
156.99850	3.5
157.03551	1.8
159.01419	9.5
161.02968	13.2
163.00914	3.8
163.04572	4.0
164.58684	1.3
168.99831	26.8
169.01163	0.9
171.01402	12.5
172.99330	17.9
173.02971	9.4
175.00900	8.9
177.02455	17.3
185.02983	3.2
187.00902	36.5
187.02592	2.0
187.78650	1.3
189.02454	14.1
191.00420	7.0
191.04001	6.5
193.01923	1.7
196.99356	9.3
199.00897	13.3
201.02461	12.8
203.00423	2.8
203.04050	2.5
205.01939	16.3
207.03557	3.9
211.01080	1.4
212.98836	5.1
215.00383	36.5
217.01964	23.9
219.03516	16.1
221.05138	2.2
223.02840	5.7
224.98756	2.5
227.00372	8.8
229.01939	18.5
230.99918	4.3
231.03560	4.7
233.01491	3.6
239.00069	1.5
242.99895	4.1
245.01460	11.5
247.03027	41.1
251.02428	1.4
254.99915	11.6
257.01404	4.5
258.99396	2.0
259.02957	6.6
264.96548	1.3
265.04083	11.6
266.99890	2.1
271.03012	1.6
273.00949	15.1
275.02362	3.2
277.04062	3.0
282.99359	4.5
285.00949	3.0
287.02444	3.8
289.04068	2.4
291.01740	1.6
301.00455	12.3
303.01846	2.2
305.03476	4.5
315.01981	28.7
317.03461	1.8
319.01385	1.9
320.57813	1.3
333.02972	16.7
343.01541	12.1
361.02646	7.9
375.04816	6.4
396.73846	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01863	0.7
61.02916	0.5
68.99789	0.4
69.03426	2.6
69.59201	1.2
71.04984	0.3
73.02912	0.5
81.03423	2.6
85.02909	3.5
87.00839	2.2
97.02873	1.1
99.04459	0.7
103.46680	0.2
105.01873	1.0
109.02882	3.1
114.36392	0.2
115.95647	0.3
117.01873	0.3
127.03924	100.0
128.04282	1.3
128.05087	0.3
145.04942	0.8
146.22374	0.2
156.75220	0.2
159.02884	1.2
164.53973	0.2
215.90862	0.3
231.05101	0.4
237.68074	0.2
283.47931	0.2
290.29153	0.2
312.65045	0.2
342.92871	0.2
346.11545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01867	1.2
56.96560	0.8
57.03429	1.1
60.05667	0.3
61.02922	0.6
62.03234	0.3
62.19369	0.3
69.03425	3.0
70.06602	1.8
70.99840	0.6
71.04991	0.8
72.08156	1.0
73.02905	0.6
73.21135	0.3
81.03419	2.9
82.99841	0.6
84.04510	1.6
84.08156	3.0
85.02433	0.5
85.02908	5.4
86.09698	2.8
87.00827	2.0
87.04466	0.3
88.03976	0.3
91.03976	0.3
97.01368	0.3
97.02870	2.0
98.20725	0.7
98.97586	1.7
99.04454	1.0
101.00884	4.5
102.05499	0.3
103.02457	0.5
105.01859	0.8
107.05005	0.4
109.02883	2.3
110.97572	0.4
112.21211	0.3
113.00899	0.6
115.02441	1.4
116.98731	0.4
117.01815	0.4
119.01932	4.0
126.98759	0.9
127.03921	100.0
128.04254	1.2
128.98618	0.4
129.00394	0.4
129.10229	1.5
130.05051	0.4
131.01917	1.5
132.95840	0.9
133.03506	1.5
133.06120	0.5
143.01935	1.3
144.99829	2.0
145.03490	1.5
145.04948	0.9
147.07655	0.5
149.02930	0.3
155.01900	0.6
156.99812	0.3
157.03438	0.4
159.01515	0.7
159.02934	1.7
161.02980	1.2
168.99826	2.0
170.99718	0.3
171.01410	0.8
172.97731	0.3
172.99332	1.0
173.03018	1.1
175.00812	0.6
177.02438	0.9
187.00900	2.2
189.02434	1.3
189.03923	0.3
191.03972	0.7
194.99550	0.3
196.99345	0.6
198.02864	0.6
199.00842	1.3
200.04471	0.4
201.02496	0.9
201.12453	0.4
203.04103	0.5
203.57823	0.3
205.01939	0.8
207.03522	0.4
215.00336	2.2
217.02023	2.4
219.01648	0.4
219.03467	1.0
229.01985	1.2
230.98180	0.4
231.05133	0.5
245.01480	0.6
245.05130	0.5
247.03041	2.2
251.02617	0.4
254.99785	0.6
265.03992	0.6
273.00919	0.9
277.04086	0.4
301.00439	0.8
315.02014	2.3
333.03055	1.3
339.03806	0.9
343.01691	0.8
352.39600	0.4
361.02414	0.6
363.59900	0.3
375.10690	0.4
375.23434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
53.93320	1.4
55.01870	1.7
61.94067	1.4
64.91428	1.5
69.03426	7.4
71.04993	2.1
74.73514	1.5
78.22639	1.6
79.05487	2.0
81.03418	17.3
83.01340	2.5
85.02918	7.8
91.05481	100.0
97.02903	3.5
99.04449	6.9
103.05484	3.4
105.07043	12.0
107.04976	2.4
107.30514	1.6
109.02880	17.0
112.16122	1.6
115.05444	22.9
117.07019	24.2
119.04945	2.5
119.78598	1.5
127.03919	89.2
133.06480	20.4
143.04897	28.2
145.04959	5.0
145.06468	3.3
161.05983	52.3
169.04976	6.3
171.04413	82.6
179.07016	5.0
189.05501	2.4
316.41934	1.7
333.09698	5.8
375.10437	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	10.2
55.01863	5.6
55.05491	2.7
57.03422	3.8
61.02921	2.1
67.05516	2.4
68.99775	4.7
69.03429	24.1
70.99887	3.8
71.04974	4.7
73.02919	2.3
79.05484	6.1
81.02989	3.2
81.03426	37.1
81.07059	4.4
83.04967	3.9
85.02911	17.7
87.00818	3.6
91.05488	71.0
93.07052	1.8
94.85925	1.7
95.04992	3.4
95.08588	2.6
97.02907	14.7
97.06525	1.8
99.04472	11.6
103.03949	2.1
103.05484	3.4
105.03395	2.5
105.07034	9.1
107.04948	14.0
107.08561	2.4
109.02886	43.3
111.04449	7.4
115.05441	16.0
117.06992	10.4
119.04934	3.9
119.08559	2.2
123.04390	4.5
125.02332	6.0
127.02975	4.2
127.03920	74.5
129.07027	2.3
131.04967	3.4
133.06494	21.1
137.05974	8.1
143.04965	10.3
143.08441	1.9
145.04932	2.0
145.06483	3.6
151.03908	4.3
161.05981	100.0
163.07443	2.0
167.07083	8.0
169.05086	2.8
171.03011	2.6
171.04387	24.3
175.07533	6.0
179.07036	6.0
182.37860	2.2
189.05464	4.7
195.03021	2.9
199.14822	2.4
203.06979	2.5
207.06551	3.1
213.03931	4.8
246.21510	2.2
333.09686	4.5
375.08594	2.5
375.14355	5.0
381.25150	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01872	3.8
69.03452	8.3
71.04985	2.3
78.34945	1.5
81.03417	12.3
85.02924	8.9
91.05485	100.0
97.02853	2.8
99.04462	5.9
105.07043	13.2
107.04976	2.0
109.02872	16.6
115.05461	27.6
117.07033	20.1
119.04921	1.9
127.03926	90.5
133.06512	15.4
143.04933	35.5
143.05952	1.1
145.04991	6.4
145.06479	1.8
161.05992	53.0
169.04991	5.4
171.04417	91.7
179.07063	5.7
187.06133	1.9
187.73256	1.4
221.08109	2.8
231.06619	2.4
248.75191	1.9
333.09775	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	375.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01868	3.5
60.43953	2.7
61.33678	2.1
61.94452	2.6
69.03412	7.0
69.60521	14.1
69.60919	5.9
72.60944	2.5
81.03416	27.7
84.18106	2.7
85.02895	4.0
91.05483	74.7
96.85339	2.3
97.02885	5.8
99.04480	3.3
105.03384	3.2
105.07037	8.0
107.04948	13.1
109.02897	30.5
115.05470	17.4
117.07004	15.6
125.02361	2.7
127.03924	45.0
133.06487	16.5
143.04904	8.6
161.05995	100.0
171.04402	23.1
179.07007	3.7
189.05455	3.8
355.09503	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	375.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01873	3.4
57.03440	1.3
65.03931	1.8
69.03442	9.0
69.60617	7.9
71.04970	1.9
75.93670	1.3
79.05502	2.6
81.03428	12.5
83.01352	2.3
85.02891	5.6
91.05491	100.0
95.04929	1.2
97.02905	2.8
99.04467	4.7
103.05449	1.8
105.07050	11.3
107.04955	8.3
109.02892	17.2
111.00789	1.7
115.01743	1.2
115.05461	22.6
117.07036	21.9
119.04935	2.4
121.61878	1.3
127.03933	86.0
129.03381	1.4
132.29120	1.3
133.06509	17.9
143.04939	34.7
145.04955	5.6
145.06519	3.6
146.42046	1.4
161.06000	50.4
169.04988	5.8
171.04428	88.4
179.07056	5.3
221.08063	2.1
223.07402	1.3
236.08333	2.2
237.09106	1.4
261.35394	1.3
287.09290	2.2
333.09747	4.3
368.32672	1.2
375.15976	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	375.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.0
55.19001	1.6
69.03446	8.1
70.95675	3.8
70.96027	2.1
81.03423	11.6
83.01337	3.7
85.02910	7.3
91.05486	100.0
97.02892	3.3
99.04461	7.0
105.03382	3.1
105.07024	11.3
107.04943	6.1
109.02872	15.9
115.05465	24.8
117.07034	22.5
127.03922	94.5
133.06485	14.6
143.04909	33.8
143.05984	2.4
145.04947	6.3
145.06512	3.1
161.05991	52.0
169.04968	4.9
171.04420	93.8
172.54837	1.5
179.07014	5.8
183.88837	1.7
187.05919	2.0
189.05586	2.2
221.08142	2.9
270.68161	1.8
307.69904	1.7
333.09619	8.6
375.10941	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.3
53.50340	1.4
69.03407	4.1
70.68671	4.3
75.54662	1.6
81.03421	26.8
85.02883	3.1
91.05486	67.9
91.64108	1.6
97.02891	4.3
99.04432	4.3
105.03413	3.3
105.07071	8.2
107.04961	3.1
109.02882	28.8
115.05460	16.8
117.07024	15.3
119.04986	1.7
125.02321	2.8
126.73650	1.4
127.03929	46.2
133.06503	17.1
133.10320	1.8
143.04948	12.9
145.06477	3.0
153.25865	1.8
161.05989	100.0
169.05014	2.5
171.04408	28.0
179.07036	5.1
189.05490	3.3
256.49805	1.4
375.10660	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1442
Annotation	Cniforin A
Peak:m/z	Relative Intensity
53.03938	4.6
55.01881	6.6
55.05507	2.1
57.03431	1.7
65.03941	7.1
67.05499	4.1
68.99791	1.5
69.03431	14.8
69.82362	3.2
69.82777	3.6
70.06587	2.2
71.01354	6.1
71.04982	1.4
77.03905	1.2
79.05501	9.7
80.06244	1.2
81.03423	13.6
81.07065	2.6
83.04993	2.6
85.02918	11.9
87.00845	1.3
91.05485	77.0
93.03411	3.7
93.07050	1.9
94.04145	1.6
95.04971	7.8
97.02892	4.4
98.21474	2.4
99.04453	3.9
103.03970	1.7
103.05499	7.7
105.03406	20.0
105.04488	1.8
105.07052	6.6
107.04967	11.0
108.02120	1.2
108.05743	1.6
109.02888	10.0
109.06535	15.8
110.87994	1.2
111.04447	5.5
115.05442	2.2
118.04170	4.2
119.04948	100.0
121.06509	5.5
123.04426	4.8
123.08073	6.7
124.05183	6.6
125.05999	6.4
127.03931	16.6
129.07056	1.8
131.04930	6.2
133.02870	1.8
133.06525	7.8
135.04430	7.8
135.08067	4.1
136.05199	1.3
137.05988	26.2
141.05447	2.1
146.03606	3.6
147.04427	25.8
147.08015	1.7
149.05994	5.1
150.06793	4.3
151.03917	91.5
151.05016	8.4
151.07552	53.8
152.04318	1.4
152.08260	1.9
153.05496	10.0
157.06552	1.6
159.08058	3.1
161.05992	13.7
163.03900	2.4
165.05482	5.9
167.07086	8.2
171.02887	2.3
175.07518	6.2
177.05504	5.6
178.06261	23.9
179.07045	30.1
180.07788	6.8
187.07571	8.8
195.06573	6.5
196.07289	13.7
199.54807	1.3
203.07011	2.6
205.08611	5.1
213.03915	2.7
215.07237	2.0
219.08162	1.4
231.05061	1.4
239.10774	1.2
265.08820	1.4
279.10190	2.3
327.12308	2.5
339.12192	2.1
357.13586	1.7
375.09146	1.6
375.14246	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.144
Annotation	Vladinol D
Peak:m/z	Relative Intensity
51.02375	0.9
53.03928	1.8
54.36541	0.6
55.01880	4.3
55.05507	1.2
56.38089	0.7
57.03435	1.3
61.02907	0.6
64.40258	0.7
65.03932	2.6
67.05494	2.5
67.06272	0.7
68.99796	1.6
69.03435	9.8
70.06598	0.8
70.76151	0.7
70.76466	1.0
71.01356	1.6
71.04987	1.4
73.02918	0.9
77.03931	0.7
79.05505	2.0
79.66179	0.6
81.03422	18.7
83.04977	2.1
85.02910	7.7
87.00832	1.6
91.05482	4.9
93.03388	1.8
94.04185	1.7
95.04957	2.4
97.02903	4.3
99.04464	3.0
103.03942	1.1
103.05463	1.6
105.03364	0.8
105.07027	0.8
107.04949	2.9
108.02100	2.0
109.02888	6.4
109.06512	2.9
110.03652	0.6
111.04425	3.8
112.01646	0.6
115.05465	3.2
117.06983	0.7
119.04961	4.4
121.06540	1.2
122.03632	3.4
123.04435	2.7
125.05994	2.0
127.03924	9.7
128.06224	3.2
129.01828	0.8
129.07022	9.1
131.04955	3.2
133.06548	0.9
135.04428	1.1
135.08014	0.7
137.05983	45.7
139.03880	0.7
141.05479	2.6
143.04909	4.4
144.05737	0.8
145.04988	1.1
145.06502	1.5
146.03632	0.9
147.04419	2.5
147.08060	2.1
149.05994	1.5
151.03917	100.0
151.05032	10.9
151.07408	3.2
151.24283	0.8
152.04219	1.6
153.05460	3.4
157.06482	8.3
160.05217	1.9
161.06015	2.7
161.09615	1.9
163.03918	0.8
163.07541	1.3
165.05515	2.2
167.07031	5.4
171.03000	1.3
171.04453	4.6
173.06073	0.7
174.06851	1.0
175.07536	5.3
176.04684	1.2
177.05495	1.4
178.07707	0.6
179.07050	2.0
181.04927	0.7
181.50874	0.7
187.07605	1.9
188.04713	0.9
189.09096	8.3
191.07037	5.9
191.08575	0.9
193.10355	0.6
195.02859	1.1
203.07036	23.5
205.08626	5.3
213.04002	1.8
215.06998	1.7
219.08141	1.1
221.08006	5.7
221.09866	0.7
233.08073	3.1
235.07584	1.2
237.09151	0.9
243.06584	1.1
246.06885	0.9
247.07668	2.2
251.10934	1.0
261.09134	0.8
262.06378	0.7
263.07028	1.3
265.08600	1.0
267.10049	0.9
279.10245	2.2
279.53067	0.6
280.07281	0.8
283.10764	1.4
285.07660	0.9
286.08505	2.4
289.08597	1.6
293.08121	0.7
294.09235	0.7
295.09732	2.8
306.08997	0.9
307.09625	3.9
309.11206	1.0
311.12830	1.6
312.10068	0.9
321.11301	4.5
327.12283	8.6
339.12347	6.4
357.13379	5.0
375.09570	1.6
375.14182	1.6
375.18918	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.86947	0.7
55.01852	1.9
57.03419	2.0
61.02922	1.1
62.85937	0.7
62.86462	0.7
65.03938	6.7
67.05502	1.3
68.99784	1.8
69.03428	13.0
69.87677	4.1
70.06583	1.2
71.01348	1.3
71.04977	1.0
73.02908	1.9
79.05488	1.0
81.03417	10.0
82.06557	0.8
83.04975	3.8
85.02905	10.1
87.00819	1.3
91.05470	1.7
92.04986	2.9
93.07023	1.7
94.06555	2.2
95.04942	1.7
95.07377	1.2
96.08114	3.4
97.02892	4.3
97.06551	1.1
98.86951	0.7
99.04456	4.1
103.03925	2.5
107.04942	1.4
108.08130	6.9
109.02873	7.5
110.09698	5.8
111.04424	2.2
115.03944	1.0
116.04979	2.2
116.37444	0.7
119.04957	1.0
120.04469	8.7
120.08133	4.2
121.10049	0.8
122.06019	3.4
123.04444	1.4
125.02318	1.4
127.03911	13.1
136.07585	4.1
137.05978	2.2
138.05544	1.1
138.09142	5.7
139.03833	0.9
144.04420	5.0
145.04987	1.5
146.05988	1.3
148.03931	100.0
149.04294	1.0
151.03874	2.3
154.08569	0.9
155.10707	1.6
159.02792	0.8
162.05490	3.3
166.04993	12.5
166.08640	13.6
167.07062	2.0
167.08510	0.8
169.04976	1.2
171.02922	1.7
172.02547	1.1
172.03951	15.4
190.04961	7.8
203.06969	0.8
204.06558	28.6
213.03938	2.2
226.11031	0.9
227.11795	1.9
231.05043	1.3
255.08708	1.1
255.11296	15.8
259.71130	0.7
273.12338	10.3
283.10791	11.3
301.11835	82.6
302.11914	1.0
319.12872	2.2
325.11929	1.3
339.13083	0.9
343.09122	1.2
343.12921	13.5
357.13950	1.5
375.09384	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	375.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01868	5.4
55.05506	5.9
57.03438	4.6
59.05003	2.3
59.82388	1.1
61.02925	3.1
64.03706	1.2
65.03924	1.7
67.05502	5.9
68.99792	5.1
69.03432	42.9
69.07055	5.1
69.54887	8.8
70.03689	1.2
70.06590	2.9
71.01359	3.4
71.04994	23.8
73.02916	5.6
73.06568	6.4
74.23952	1.2
79.05499	10.7
81.03425	37.0
81.07060	29.3
83.01354	2.1
83.04986	8.0
85.02909	32.8
87.00838	5.6
90.85159	1.3
91.05479	27.4
93.07044	21.1
95.04974	5.1
95.08605	5.3
97.02893	15.0
97.06548	2.9
99.04454	12.0
103.03960	5.9
103.05467	3.1
105.03390	1.5
105.07045	7.6
106.04166	3.1
107.04974	8.5
107.08606	13.7
109.02877	30.1
109.03592	1.8
109.10158	3.9
111.03780	1.4
111.04458	8.2
115.03942	1.8
115.05480	4.8
117.07047	4.9
119.04939	2.6
119.08591	2.9
121.02929	1.6
121.06541	4.3
121.10133	1.7
122.03684	1.4
123.04420	5.1
125.02338	2.9
127.03925	48.1
129.01846	3.0
129.05498	1.4
129.06963	1.2
131.04958	3.5
131.08557	2.2
133.04977	1.4
133.06493	4.0
135.11696	24.6
137.02444	1.5
137.05975	6.1
139.03932	3.0
141.01801	1.3
143.03584	1.2
143.04922	7.7
143.08569	1.7
145.04941	6.3
147.04468	2.2
149.06001	4.8
151.03931	6.1
151.07559	2.5
153.01857	1.6
153.05444	2.1
153.12753	100.0
154.13127	1.8
157.10240	1.7
161.05969	14.2
162.07635	1.3
165.05647	1.6
167.07042	7.6
169.04982	4.1
171.02942	3.1
171.04433	14.2
177.05450	3.2
179.06992	2.8
181.04915	1.7
187.06059	2.7
203.07080	2.9
205.07098	4.0
209.08121	5.5
213.03940	7.6
231.05045	3.9
231.17381	1.5
266.09409	1.4
273.06165	1.8
277.65356	1.4
333.09949	2.3
357.08289	1.8
375.08813	18.8
375.14230	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	375.238
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03953	7.8
55.01883	11.0
55.05514	21.6
55.26509	1.6
57.03436	12.6
57.07064	4.4
59.05003	4.1
61.02929	13.9
62.73367	1.4
65.03931	2.2
67.05507	14.8
69.03432	56.7
69.03812	2.8
69.07070	46.7
70.06575	2.8
70.66055	3.5
70.66425	3.9
71.01357	2.1
71.05001	12.7
73.02913	9.2
73.67484	1.4
79.05500	9.2
81.03422	26.5
81.07060	34.5
83.01348	2.3
83.04996	11.1
83.08620	10.6
85.02908	94.2
85.06546	26.7
87.00829	2.6
87.04473	7.4
91.03944	5.4
91.04468	1.4
91.05482	4.3
93.07053	16.1
95.04958	1.8
95.08611	51.5
97.02895	39.4
97.06509	3.5
97.10168	11.9
99.04449	11.7
99.08109	26.0
99.70427	2.1
105.07039	3.9
107.04959	24.2
107.08599	29.7
109.02883	17.8
109.06488	1.9
109.10152	18.0
111.08067	4.3
111.11718	6.6
111.19820	1.7
113.09655	10.9
119.04937	3.7
119.08529	2.0
121.10143	37.4
123.11688	11.1
125.09657	9.7
125.13259	1.8
127.03920	31.0
127.11195	2.2
133.06415	2.1
135.11699	18.6
135.71309	1.8
137.05986	6.8
137.13251	25.6
139.11188	8.5
145.04974	17.0
147.04391	2.3
149.05917	2.2
149.13309	6.2
151.03920	3.6
151.14830	6.9
153.12773	14.0
161.11708	1.8
163.07411	1.8
167.07027	3.4
177.16397	100.0
178.16853	2.8
179.07007	3.3
195.17456	48.5
201.06693	1.5
201.61383	1.7
213.18512	43.5
218.85333	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	4.6
69.78768	9.0
70.06580	5.8
72.08144	6.9
81.03432	6.2
84.04506	9.3
84.08150	4.2
85.02912	11.3
86.09696	7.8
91.05494	20.2
96.04510	2.4
97.02903	3.7
106.06679	2.3
107.04989	2.9
109.02875	4.2
109.07662	2.7
119.04953	33.3
120.08086	2.1
124.08630	2.8
126.05489	6.3
127.03927	26.2
127.05848	2.4
128.04268	17.8
129.10205	2.8
133.06493	8.5
138.05513	19.5
139.05872	11.0
144.06575	4.3
145.06778	2.5
147.03229	5.1
147.04414	100.0
153.05481	5.1
161.06021	4.3
167.07083	3.0
168.06589	2.7
169.06914	3.8
171.51065	2.2
175.95116	2.4
179.07033	68.5
187.39391	2.2
190.17006	2.6
191.11192	2.7
197.08107	9.0
223.56358	2.3
233.13202	2.1
249.52335	2.3
277.28424	2.3
316.08905	2.5
327.15018	2.2
351.11496	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2266
Annotation	Ile Ile Met
Peak:m/z	Relative Intensity
52.72370	0.4
56.05030	1.5
57.05810	0.3
57.49635	0.3
69.03436	0.8
69.07071	7.6
69.70049	2.1
70.06596	2.0
72.08154	0.8
81.03419	0.5
84.04523	0.5
84.08147	1.0
85.02887	0.7
86.09708	100.0
87.10028	0.5
91.05487	0.5
102.05566	0.5
104.05347	1.5
107.04971	0.4
109.02914	0.5
110.07177	0.5
111.76740	0.3
116.07115	0.4
118.41633	0.3
120.08121	1.3
127.03941	0.5
129.10222	0.5
131.05035	0.4
131.23654	0.3
133.03183	1.0
137.05984	0.9
138.06332	0.4
140.00208	0.4
147.04332	0.3
150.05856	3.2
151.03960	0.4
167.07069	0.6
168.07417	0.3
199.18063	30.1
214.14453	1.0
227.17538	11.7
263.14288	4.3
324.80057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40751	3.1
53.03934	13.0
53.46766	3.6
55.01873	6.8
55.05515	19.1
57.03434	17.4
61.02927	4.7
65.03957	4.1
67.05502	16.9
68.99782	3.9
69.03435	100.0
69.07059	5.0
69.86057	15.3
70.20229	3.4
71.01342	10.5
71.05003	21.4
73.02917	30.0
78.67324	3.5
79.05492	6.5
81.03425	69.4
81.04163	4.3
81.07061	8.8
83.04991	87.4
85.02910	89.5
87.00824	22.2
87.04454	3.7
91.05482	8.8
93.03391	3.7
95.04971	27.9
97.02885	29.1
97.06565	4.9
98.21436	4.0
99.04462	24.7
105.01858	6.8
105.07018	6.5
107.04945	6.3
109.02897	42.8
111.04457	87.5
113.06012	19.3
115.03864	5.5
117.05497	11.3
119.04925	4.2
123.04432	14.1
127.03918	86.7
129.05472	9.3
134.42421	3.2
135.04407	10.7
137.05969	8.8
139.03925	4.5
141.05415	5.8
151.03912	13.6
153.05481	5.7
157.04956	10.0
161.05922	4.5
163.07494	5.7
165.05486	4.3
167.07079	3.5
169.04976	4.5
171.02899	4.6
173.04463	7.3
173.05873	3.7
181.05064	4.6
187.06073	3.7
187.07622	4.4
189.03969	9.0
193.04942	4.7
201.03983	6.0
207.35124	3.5
209.07971	3.6
213.43098	3.9
231.04985	4.8
237.07590	7.9
247.04439	3.8
247.14708	6.8
255.08701	12.7
273.09482	3.4
341.08685	7.7
359.09744	6.4
377.10364	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	377.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.9
53.03942	2.0
55.01881	1.0
67.05524	1.2
69.03426	1.3
71.04999	1.4
71.51471	0.9
81.03427	6.0
81.07056	1.6
81.43388	0.6
85.02906	2.2
91.05487	1.3
93.07033	1.2
95.04971	1.4
95.08602	2.3
97.02886	1.3
99.04453	6.1
103.03968	4.1
103.05473	32.9
105.07024	1.3
107.08582	1.0
108.48763	0.6
109.02893	11.4
109.10218	0.8
119.08595	1.3
127.02973	1.3
127.03924	29.0
131.04936	100.0
132.05247	1.2
133.10199	0.6
137.61436	0.7
145.04967	2.2
169.04950	3.9
186.49945	0.6
187.06065	4.4
229.07175	0.7
258.31961	0.7
276.08273	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03954	3.3
54.79129	0.4
57.07066	0.4
59.08058	0.4
64.26041	0.5
69.03432	0.9
70.89040	0.7
70.89400	1.0
71.05006	0.8
77.03938	0.8
81.03416	6.0
81.07086	0.5
85.02918	2.4
91.05486	1.3
95.04938	0.8
95.08632	0.8
97.02884	1.4
99.04459	4.0
102.04743	0.4
103.03988	3.4
103.05473	39.8
105.04504	0.9
107.04966	1.6
107.08572	0.5
109.02882	12.0
119.08574	0.5
121.10189	0.4
127.03922	30.3
128.04262	0.6
131.04933	100.0
132.05269	1.3
132.86006	0.5
137.06062	0.4
142.07944	0.5
143.08632	0.4
145.04974	2.4
169.05038	2.2
169.06401	0.4
175.14708	0.5
187.06017	2.2
206.55466	0.5
224.28397	0.5
229.07124	1.0
268.48413	0.5
281.11823	0.5
361.89722	0.4
365.48242	0.5
377.26422	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.9
62.95336	0.9
63.07762	0.9
69.52118	7.6
81.03420	6.7
85.02914	2.3
91.05479	2.6
95.04949	1.3
97.02862	1.8
98.20760	1.9
99.04459	6.7
103.03934	4.6
103.05474	41.1
107.04955	1.2
109.02891	15.2
127.03928	42.1
131.04939	100.0
145.04933	3.2
169.04991	3.9
187.05995	4.7
382.21228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
69.03433	1.0
69.44143	5.6
81.03419	6.6
81.54150	0.8
85.02900	1.8
97.02917	1.7
99.04461	6.2
103.03938	3.3
103.05472	38.9
109.02892	13.0
127.03930	38.5
127.04700	0.7
128.23148	0.8
131.04939	100.0
132.05222	1.5
145.04921	3.8
169.05006	3.2
187.05945	4.0
229.07143	0.8
377.13904	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	377.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38636	0.6
53.03955	2.9
67.05492	0.7
70.21755	2.2
71.04972	0.7
72.11572	0.5
81.03430	8.4
85.02898	2.0
95.04983	1.3
97.02911	2.0
99.04470	5.1
100.17857	0.6
103.03990	4.3
103.05475	38.7
109.02890	12.3
127.03927	31.6
131.04938	100.0
132.05278	1.6
144.08165	0.6
145.04929	3.0
152.71707	0.6
169.05003	3.4
187.06084	4.3
197.05934	0.7
229.07178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60594	0.7
53.03960	3.2
53.04168	0.7
55.05510	1.2
57.03427	0.7
57.64373	0.6
63.61494	0.6
67.05495	2.1
69.03426	1.4
69.07033	0.6
69.21000	0.6
70.68735	2.0
77.66805	0.7
78.91100	0.6
79.05497	1.2
81.03431	7.5
81.07049	2.0
84.89715	0.6
85.02893	2.4
91.05487	1.4
93.07030	1.6
95.08604	1.2
97.02898	1.8
99.04443	5.0
103.04014	3.5
103.05476	40.8
104.05831	1.2
105.07030	1.7
107.08572	1.1
109.02891	14.8
119.08583	1.3
121.10164	0.9
127.02967	1.4
127.03927	33.5
131.04939	100.0
131.08543	1.5
132.05281	2.0
145.04967	2.6
145.10075	0.8
159.11758	1.1
169.05008	3.5
187.06012	4.3
192.24118	0.6
229.07094	1.4
285.22092	0.8
303.23358	1.1
343.91333	0.7
377.26758	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48109	0.3
53.03944	0.3
55.01868	1.1
55.05520	0.5
63.23218	0.3
65.03941	0.8
66.04704	0.9
67.05502	1.3
69.03432	2.9
69.07043	0.5
70.06571	0.4
71.04996	0.5
71.50927	0.4
71.51325	0.4
71.62585	0.3
75.49722	0.3
79.05493	2.3
81.03413	1.8
81.07067	2.3
83.04968	1.0
84.08136	0.4
85.02898	1.0
91.05492	2.8
93.07041	1.0
94.04188	5.2
95.04960	1.3
95.08613	0.8
95.20193	0.3
97.02887	1.0
97.06566	0.5
99.04446	0.5
105.07037	2.0
107.04955	1.7
107.08611	1.3
109.02879	1.5
109.06525	3.1
109.10172	0.6
111.04470	0.4
115.05503	0.3
117.07016	0.6
119.04919	0.6
119.08576	1.4
121.06549	0.7
121.10147	0.6
122.03652	13.7
125.05991	0.5
127.03902	0.9
129.07001	0.4
131.04932	1.0
131.08551	1.4
133.10155	1.0
135.04395	0.4
135.08002	0.4
135.11656	0.4
137.05983	100.0
138.06313	1.0
141.06943	0.5
142.07722	0.4
142.20456	0.4
143.08549	1.0
144.05685	0.5
145.06429	0.6
145.10130	1.6
147.08076	0.5
147.11647	0.5
149.05978	0.6
151.07509	0.4
152.06210	1.2
153.06979	1.1
154.07745	0.4
155.04845	0.4
155.08542	0.7
157.06467	1.3
157.10106	1.1
159.08060	0.6
159.11702	0.9
161.05936	0.5
163.11220	0.6
165.06958	1.4
166.07822	0.6
167.07172	0.5
167.08556	5.6
169.06509	0.7
169.10063	0.6
170.07225	0.6
171.08058	1.3
171.11650	0.8
173.09720	0.7
173.13263	0.5
176.06244	0.8
177.05612	0.5
177.07008	4.2
179.08566	1.1
181.06517	2.4
182.07288	1.0
183.08067	0.6
183.32079	0.4
185.09662	0.9
187.07573	0.4
187.11214	0.7
191.06889	0.5
194.07237	0.7
195.08061	11.3
195.11728	0.4
195.42998	0.3
197.09666	0.8
198.06705	2.2
199.07478	0.4
201.09259	0.4
201.16406	0.4
205.06445	0.6
210.06729	1.5
211.07492	0.7
213.09146	4.3
215.10654	0.6
222.06787	0.4
223.07536	10.0
223.09743	0.5
226.06252	4.0
241.08603	61.2
242.08998	1.3
253.08620	12.9
285.08902	0.4
361.10568	0.5
377.13837	54.8
378.14276	1.9
391.92255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03939	1.6
55.01876	1.0
57.03447	7.5
59.05011	0.9
61.02919	3.8
69.03430	14.1
69.81292	0.8
70.66142	2.0
71.01343	3.6
71.04985	3.0
73.02908	1.3
75.04493	2.0
81.03415	4.0
99.04456	4.2
145.07600	3.2
157.06384	1.4
157.39235	0.8
170.07101	2.7
172.08713	33.7
173.09129	1.1
175.08714	1.0
190.09819	1.3
198.06627	9.3
200.08247	6.1
216.07715	15.6
243.08795	75.4
244.07071	1.4
264.49619	1.1
359.13437	4.8
377.14587	100.0
378.15082	2.2
404.18570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05493	0.8
56.05051	1.0
56.96561	1.8
69.03424	2.9
70.06592	3.1
71.04990	0.9
71.50541	0.7
72.08154	2.3
72.93788	1.1
74.06076	1.0
79.05490	0.8
81.03413	2.1
81.07078	1.0
82.06606	0.7
84.04491	1.9
84.08140	2.5
85.02917	4.4
86.09676	4.3
87.10043	1.3
91.05485	2.1
94.04169	0.8
97.02891	2.7
98.97586	3.4
101.69553	0.7
107.04945	2.6
109.02889	0.8
110.07175	1.3
110.97615	0.8
116.98592	1.2
119.04948	2.4
122.03638	2.4
127.03938	4.4
128.04257	1.2
128.65527	0.7
129.10248	1.1
131.04948	1.1
132.95853	1.0
137.05984	100.0
138.06352	1.1
144.95889	0.9
146.99698	0.8
147.04443	4.8
151.07536	1.3
158.97466	1.0
163.07565	2.8
179.53226	0.7
181.08600	7.9
201.00818	1.1
205.08640	1.2
219.01781	1.6
234.99185	1.6
237.02841	1.6
319.04486	0.7
337.04858	0.7
357.06744	0.8
360.12439	0.9
378.02814	0.9
378.12961	1.0
379.15976	3.8
399.09396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11058	1.1
55.01880	1.9
56.05029	5.3
57.03454	1.6
58.06577	1.7
60.04532	3.4
61.01146	2.0
62.34940	1.3
63.38695	1.4
64.30527	1.1
66.74512	1.4
69.03427	3.8
69.83411	6.6
70.02979	1.3
70.06599	39.6
72.04522	4.7
72.08166	13.2
72.49060	1.2
73.02943	1.5
74.06097	2.4
79.78411	1.2
81.03433	3.6
84.04515	4.9
84.08150	14.4
85.02931	11.8
85.06582	1.4
86.09715	16.9
87.05610	1.9
91.05489	1.7
95.01363	6.9
95.05003	1.6
96.08141	2.2
96.75348	1.1
97.02890	2.6
98.02415	1.9
98.97601	1.3
102.05569	2.9
103.05471	1.7
104.05313	3.2
107.04965	4.6
109.02873	1.7
110.07154	2.6
111.16479	1.2
112.07651	2.1
113.02369	1.9
116.03526	1.9
116.07110	3.0
118.08674	3.2
120.08104	5.9
122.03659	3.0
124.07569	3.4
127.03939	11.9
128.04260	5.6
129.01874	1.9
129.04384	3.5
129.10236	9.3
130.04749	1.7
131.04935	2.6
136.07622	4.2
137.05988	100.0
140.07013	1.2
141.01880	8.2
142.08606	1.6
145.04930	2.0
147.04478	2.2
151.07614	2.1
159.11288	4.3
166.08687	2.4
167.08174	4.5
169.13385	6.0
173.12865	7.7
177.03995	5.1
181.08612	13.3
184.09642	2.3
201.03941	5.5
201.12527	1.5
202.10780	5.3
213.03952	5.5
217.13666	2.0
233.09595	1.5
242.08174	3.5
243.06529	1.3
248.07732	12.1
321.70126	2.4
342.11398	1.7
356.71286	1.6
360.12872	11.4
374.20193	2.9
378.13849	6.8
378.72891	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	379.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83235	1.0
56.94316	1.3
57.02499	0.8
60.05626	1.0
69.03422	1.7
70.06599	4.6
70.19987	1.6
70.20385	2.4
70.95865	2.6
72.08160	5.0
72.93768	3.8
81.40416	0.9
84.08147	1.5
85.02906	2.1
86.09712	1.4
90.94810	2.7
97.02888	1.4
98.16476	0.9
110.07201	1.2
116.96322	1.6
118.94279	1.2
120.08088	3.8
121.08325	0.8
132.95894	5.0
140.96349	1.3
144.95886	4.3
147.04398	1.4
156.95901	1.0
158.97420	20.0
162.96904	1.1
163.00516	1.5
168.95805	1.3
176.98473	4.6
186.96960	4.7
187.00494	1.1
216.97948	18.0
217.05122	1.4
228.42461	1.0
234.99017	100.0
247.06100	1.3
247.14221	1.1
253.00061	11.8
258.00623	3.7
274.86115	1.0
289.03708	42.0
306.99161	1.0
307.04791	1.2
317.03174	5.3
319.10699	1.8
333.06384	2.1
335.04260	26.6
379.02905	2.0
379.19662	1.6
379.73550	1.5
389.74319	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18456	1.0
58.33083	1.0
68.52448	1.0
69.03436	1.4
70.06587	8.0
71.50859	1.3
72.08154	3.9
78.62496	1.1
84.08146	2.7
85.02909	1.4
86.09698	4.0
91.05482	1.2
107.04964	9.9
119.04951	1.1
120.08128	4.9
121.02907	1.3
127.77954	1.0
129.10265	2.9
131.04994	1.4
136.07602	1.5
179.07092	1.1
181.04935	1.6
185.04224	68.4
217.04738	18.9
307.06204	1.4
308.06876	2.7
322.08292	2.1
323.09406	1.3
335.05731	1.2
344.43176	1.1
351.08804	3.4
379.10089	100.0
380.10254	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52247	1.2
57.30357	1.2
69.07077	1.7
70.06586	7.5
70.23626	2.7
70.24020	3.0
72.08170	3.5
75.27170	1.3
84.04520	2.3
84.08149	2.9
85.02917	1.7
85.95844	1.4
86.09715	6.2
90.91288	1.2
91.05509	1.8
95.04986	1.3
107.04948	11.8
119.04978	1.6
120.08160	5.5
121.02899	3.6
129.10277	2.1
143.42610	1.4
147.04475	1.9
177.05524	1.7
177.69942	1.3
181.05022	1.6
185.04219	58.6
206.94624	1.2
207.06647	2.7
210.06693	1.4
217.04752	15.9
236.95529	1.3
256.24942	1.3
272.69522	1.4
279.06992	1.5
293.08252	1.4
307.06250	3.8
308.07028	4.5
322.08441	3.5
351.08652	7.1
364.72665	1.2
379.10135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65991	2.4
50.94767	2.4
52.43483	2.3
53.03946	4.3
55.01871	6.2
56.05036	3.4
56.94315	2.9
56.96569	23.4
57.03447	12.0
61.02922	10.7
69.03436	38.4
69.88110	12.5
70.06602	25.1
70.95888	3.5
71.04993	6.8
72.08178	4.2
72.93787	8.9
73.02930	13.4
74.06094	3.7
74.95357	2.7
81.03413	9.7
84.08128	12.6
84.96027	5.3
85.02909	64.9
85.06564	3.3
86.03284	2.6
86.09699	4.6
86.51569	2.2
87.04481	6.8
90.94826	6.5
91.03934	3.6
91.05483	3.4
95.06100	3.0
95.46844	2.2
97.02903	37.1
98.97593	90.5
99.04453	8.0
101.00877	3.9
102.94836	3.0
107.04967	38.6
107.05629	3.5
107.23872	2.5
108.17468	2.5
109.02880	9.7
110.01270	2.8
110.07195	5.7
110.97556	24.0
112.08743	5.2
112.99126	4.5
115.08677	2.6
116.07086	3.3
116.98631	34.6
119.01846	6.2
119.04968	6.3
120.08116	12.3
127.03927	22.8
128.04248	4.2
128.96405	4.4
128.98613	22.3
129.10229	7.5
131.00136	3.0
132.95844	22.6
133.02859	3.6
134.99657	7.3
135.04463	4.0
137.05969	13.3
140.02359	3.5
143.00192	8.3
144.95830	11.0
145.04921	12.9
146.97414	2.9
146.99637	7.9
147.04424	14.2
148.98990	2.8
149.05991	4.4
150.09137	4.5
150.96846	5.6
152.02354	3.7
154.94221	2.3
158.97446	30.9
158.99634	23.8
159.03281	2.7
161.01221	5.0
161.02827	4.7
162.96944	5.0
166.06374	2.7
167.07097	4.3
168.95880	3.1
170.97426	5.3
170.99695	10.2
172.95375	3.1
174.96933	14.0
175.11850	3.0
176.98451	8.9
177.00713	13.5
179.07109	6.8
182.03377	6.5
182.99620	4.8
184.03922	6.5
186.04378	2.6
186.96875	9.2
189.00780	7.4
191.03917	5.9
193.04419	30.8
193.54483	3.6
194.99754	2.6
198.96942	3.4
200.04390	3.8
201.00685	12.2
202.04926	15.2
202.55099	2.5
210.96812	2.7
216.97946	19.3
219.01816	39.5
220.04817	3.4
223.02884	5.8
226.01527	6.0
226.04921	3.0
229.05466	6.0
232.10622	3.1
232.14017	6.5
234.99037	71.7
235.02724	3.3
237.02805	32.4
239.02222	2.9
241.03847	11.4
246.05841	3.0
253.00194	6.4
253.03731	4.9
258.00479	2.9
258.98892	3.0
259.04901	3.8
261.02850	10.9
265.03833	10.7
265.06473	68.9
265.56696	8.7
274.07053	100.0
274.57269	15.0
275.02124	5.0
277.00064	10.3
277.03995	4.3
279.04135	11.9
280.07089	7.8
283.04941	5.7
283.07870	3.0
289.04028	2.8
289.07523	7.8
293.03119	3.5
298.08109	13.2
298.58115	2.9
301.03763	6.0
308.04251	2.6
313.00229	3.3
319.04562	22.1
367.06894	3.4
379.03278	27.8
379.16257	4.8
379.20840	23.3
385.07721	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	379.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47185	0.6
54.03460	0.8
56.05016	0.5
69.76080	2.9
70.06603	3.9
71.03570	0.5
72.08128	1.0
84.04490	0.6
84.08138	1.5
86.09681	2.0
94.04026	0.5
94.06529	0.5
94.55709	0.5
121.02859	0.5
124.05052	1.2
127.03905	0.6
129.10211	1.2
149.04547	1.4
166.07278	0.9
183.39648	0.5
189.06464	0.9
189.10080	0.5
201.06532	1.0
202.07309	3.4
202.52919	0.5
203.08031	3.5
204.08846	12.3
215.08041	2.1
216.08827	100.0
217.09625	6.3
218.10400	9.5
225.06403	6.2
226.07214	2.4
227.07959	1.7
228.08815	0.9
229.09601	1.5
230.10379	11.7
240.08829	24.3
241.09276	0.8
242.10431	5.4
244.08386	2.1
246.09891	14.8
255.09930	0.9
257.11520	1.0
258.09900	6.9
268.08231	1.3
283.09555	2.6
285.10825	0.6
286.09384	33.6
315.12076	3.0
329.09863	1.1
333.13055	2.7
343.11404	1.0
346.85690	0.6
347.10983	2.9
361.12415	4.7
379.08340	1.7
379.13657	37.1
380.14029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1541
Annotation	2,7-Dihydroxy-4,8-dimethoxy-1-(4-hydroxybenzyl)-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
53.01138	0.4
53.03938	1.1
55.01887	0.5
55.13406	0.3
66.18546	0.3
67.05511	0.5
69.03419	1.1
69.55159	2.0
77.03925	0.4
77.52416	0.3
79.05508	2.1
81.03423	1.0
81.03875	0.3
81.07054	1.0
84.32242	0.4
91.05479	1.8
91.80066	0.4
91.86163	0.3
93.07064	0.5
95.04958	1.4
95.08610	0.4
103.05511	0.5
105.04517	0.7
105.07032	1.0
107.04961	100.0
108.05302	1.2
109.02892	0.4
109.06452	0.4
119.08605	0.6
122.51485	0.3
127.03915	0.8
131.08582	0.4
131.39192	0.3
133.10176	0.5
145.06532	0.4
145.10143	0.4
157.10132	0.7
159.11740	0.4
167.08617	0.4
179.19028	0.4
181.83467	0.4
195.08087	0.4
225.09183	0.9
227.10704	0.8
239.07118	0.5
240.07800	0.4
241.08623	0.8
242.09494	1.4
253.08725	0.6
254.09521	0.5
255.10208	2.9
258.08997	0.8
267.10251	1.0
271.09726	1.3
272.10391	0.8
273.11221	15.3
285.11224	0.6
379.15250	1.1
379.26050	0.5
379.30304	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1539
Annotation	2,7-Dihydroxy-4,8-dimethoxy-1-(4-hydroxybenzyl)-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.02383	0.4
53.03945	1.6
67.05486	0.6
71.51080	0.4
75.98193	0.3
77.03929	0.4
77.26526	0.3
79.05487	1.5
81.07046	0.9
91.05498	0.5
93.07045	0.5
95.04967	1.4
105.04506	0.9
105.07051	0.5
105.93473	0.4
107.04961	100.0
108.05299	1.4
109.02898	0.4
109.10185	0.4
122.06008	0.5
127.03863	0.3
156.09546	0.3
161.05978	0.7
171.48732	0.3
195.08044	0.8
196.08842	0.4
211.05724	0.3
212.08342	0.4
223.07513	0.5
225.09064	0.4
227.06920	0.4
227.10750	0.7
239.07063	0.6
240.07738	0.4
241.08638	0.7
242.09369	1.6
242.17273	0.4
253.08630	0.8
254.09344	0.7
255.10187	2.9
258.09024	0.4
267.10242	0.5
271.09695	1.3
272.10327	1.0
273.11237	15.6
333.11115	0.4
379.11224	0.5
379.15775	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2635
Annotation	Rugulosone
Peak:m/z	Relative Intensity
55.01841	2.4
55.05511	11.8
57.07066	4.2
59.49714	1.7
67.05513	10.4
69.07069	11.2
71.04984	2.8
71.51529	3.0
79.05493	21.5
81.07059	15.4
83.04970	3.7
83.08620	8.4
85.06554	2.0
91.05485	24.5
93.07048	24.3
95.04964	9.4
95.08630	16.1
97.06512	3.9
97.10173	4.2
99.08068	3.0
103.05428	2.3
105.07039	22.9
107.08601	19.6
109.06530	4.4
109.10169	11.5
111.08022	1.8
115.05439	3.7
117.07027	14.1
119.08594	27.2
121.06535	3.0
121.10159	12.5
123.08064	6.0
123.11679	7.6
125.09631	4.1
127.11205	3.5
128.06216	5.7
129.07027	15.9
131.08575	27.7
133.10135	23.9
135.08018	4.1
135.11650	6.5
137.09578	4.5
137.13200	1.8
141.06963	5.5
141.09911	1.6
142.07787	3.4
142.46269	1.9
143.08569	16.0
145.10133	22.4
147.07990	3.5
147.11699	8.2
149.09647	3.8
149.13197	4.0
151.11197	3.0
153.07011	2.2
154.07736	3.1
155.08531	13.0
156.09361	3.3
157.10135	18.3
159.11693	16.0
161.09647	12.2
161.13229	6.3
163.11165	4.2
165.06909	2.0
165.12842	2.6
167.08533	5.0
168.09296	3.8
169.10158	10.5
171.11673	15.1
173.09663	15.2
173.13260	6.3
175.11182	10.5
175.14743	3.1
177.12714	5.3
179.08459	3.1
179.14336	9.1
181.10118	9.2
182.10979	2.3
183.11720	13.1
185.13281	8.8
187.11169	4.9
187.14777	7.0
189.12750	4.0
191.14319	4.0
193.10063	3.5
195.11688	9.1
197.13304	11.6
199.14789	5.8
201.12718	5.2
201.16368	3.3
203.14284	4.3
205.15779	2.6
207.11702	3.9
208.12442	2.4
209.13248	8.8
210.13953	2.0
211.14914	9.0
213.12796	3.1
213.16298	4.3
215.14383	3.1
217.15840	2.4
221.13263	3.7
223.14749	6.4
225.16400	4.6
227.14291	7.4
229.15936	4.2
231.17340	2.9
233.13255	3.5
235.14752	5.2
237.16362	4.9
239.17981	2.9
241.15863	5.2
249.16373	6.9
251.17891	4.2
253.15982	4.2
255.17337	6.2
257.18967	3.0
261.16302	2.4
263.17947	3.5
265.19727	2.0
267.17477	9.5
271.20660	2.1
275.17780	2.6
277.19461	3.1
279.17340	4.8
281.18961	6.2
293.19077	11.6
295.20520	3.2
309.61154	2.1
317.22610	3.9
319.20633	2.1
335.23648	26.8
337.21533	2.7
337.25507	3.3
343.24301	3.0
347.25781	4.9
361.25208	27.0
379.26257	100.0
380.26730	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	380.1818
Annotation	Val Phe Asp
Peak:m/z	Relative Intensity
50.79728	0.4
53.03958	0.6
53.11925	0.4
55.05515	3.9
57.05805	0.5
58.06583	0.9
60.04510	0.7
63.03824	0.4
69.03407	0.6
69.57942	1.7
69.58348	0.9
70.06599	4.5
71.04982	0.5
72.08158	40.7
84.04487	0.8
84.08141	2.9
85.02905	0.9
86.09700	1.8
86.15297	0.4
88.04002	0.5
91.05489	0.9
93.07043	1.0
97.02937	0.5
103.05458	3.9
103.31117	0.4
107.04945	0.8
109.06506	0.5
110.07163	1.3
120.08108	100.0
121.08443	1.1
127.03856	0.5
129.10220	2.2
134.04500	0.5
137.05992	0.7
145.04976	0.7
145.06071	0.6
147.04436	0.6
166.08589	0.4
171.14955	1.0
183.10197	0.5
201.11060	0.6
219.14935	35.9
220.15326	0.7
233.11307	3.9
247.14438	9.6
275.16354	0.5
328.81058	0.5
364.90457	0.4
373.30090	0.5
380.23102	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	380.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04519	13.0
61.98367	6.4
67.05497	8.5
69.03435	13.2
70.06609	38.1
71.04994	61.8
71.51054	6.6
71.51427	8.5
72.08143	23.9
74.80362	6.1
79.05492	22.1
79.23482	6.6
81.03423	9.9
81.07057	25.6
84.04516	8.7
84.08137	23.4
85.02906	16.1
86.09695	26.3
90.23605	8.3
91.05473	22.2
93.07030	15.1
95.08606	8.3
105.07048	17.1
107.08609	11.4
119.08585	12.0
120.08120	41.0
121.10151	13.5
129.10202	6.8
139.10403	7.0
147.11664	18.2
165.12749	100.0
183.13821	30.3
187.10783	9.3
211.03011	8.6
218.72694	6.4
219.00563	57.7
222.64317	7.4
235.10779	8.2
237.02771	7.0
250.39229	6.7
279.22925	6.4
381.05707	32.5
403.14600	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	380.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16402	3.8
52.22282	3.3
55.05513	6.4
56.05022	3.5
67.05494	5.7
69.03422	11.3
69.07058	7.0
69.41421	30.2
70.06609	19.5
71.05006	32.9
72.08131	4.5
72.88722	4.0
73.06546	11.9
74.06065	9.8
74.06435	3.9
79.05493	8.9
81.07074	20.7
84.04517	6.1
84.08159	10.4
85.02897	17.9
85.06574	5.6
86.09712	24.4
91.05467	10.4
93.07028	15.3
95.08613	8.4
97.02890	7.2
97.06523	17.0
98.20816	6.6
99.08102	38.5
101.07138	6.9
105.07025	9.2
107.08610	10.9
120.08141	19.1
127.07546	16.3
137.13216	7.5
147.11705	10.2
165.12770	18.7
183.13821	100.0
187.14378	24.2
215.13911	6.9
221.12886	7.1
243.02899	12.2
261.03912	15.6
284.06586	3.9
345.19193	14.1
363.08670	8.5
377.84268	4.6
378.77838	4.7
380.08600	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	381.0583
Annotation	Potassium lespedezate
Peak:m/z	Relative Intensity
54.59291	6.0
69.52820	42.1
70.06606	35.1
70.98103	9.1
72.08144	10.9
72.38053	6.9
77.77441	7.5
80.69757	5.5
81.07037	6.3
85.02911	9.6
97.70770	6.5
98.21485	11.5
98.97588	8.6
120.08099	18.6
123.04401	13.7
147.04440	11.4
193.01772	6.5
211.02887	7.4
219.00537	100.0
237.02794	15.2
243.02887	18.5
255.01857	8.8
261.01498	7.2
261.03922	40.7
273.67023	7.9
354.42834	6.0
363.08829	7.9
381.05762	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11110	2.6
69.46183	18.5
77.22408	2.7
77.43234	2.4
88.98323	2.8
91.69073	2.5
201.01529	3.4
208.46216	2.5
212.69223	3.1
219.02643	3.9
381.07944	100.0
382.08533	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43660	1.3
51.88491	1.4
56.94303	1.8
56.96301	2.7
56.96569	42.2
59.27715	1.5
68.18896	1.3
69.03428	2.9
70.06601	2.1
70.58397	3.0
70.58750	3.7
71.49648	1.7
72.93781	2.1
84.08144	6.4
84.96030	4.9
85.02915	3.2
86.09715	3.9
97.02921	2.8
98.97588	62.5
100.99142	3.8
101.00883	2.0
110.97577	22.1
112.99115	9.3
115.00714	18.9
116.96341	2.0
116.98629	13.5
124.99093	2.3
127.29359	1.8
128.98608	10.9
129.02266	5.9
129.10208	2.0
131.00203	4.3
132.95811	8.8
133.01718	9.1
140.98656	2.7
141.02263	3.7
143.00204	3.3
144.95842	4.8
146.99628	5.2
147.03299	3.5
152.98529	1.8
158.97398	2.1
158.99657	13.6
159.03300	18.7
161.01259	2.2
161.02901	1.5
170.99626	7.5
171.03242	2.3
173.01286	3.7
174.96857	2.3
174.99107	3.2
177.00772	7.4
177.04362	39.6
182.99614	2.0
183.03354	3.4
186.96921	2.0
189.00725	4.3
195.05389	12.3
200.94806	2.7
201.00723	9.7
201.04364	6.9
208.01447	1.7
219.01785	45.6
219.05130	8.3
219.07300	2.7
228.94502	1.7
231.05360	3.5
233.06992	2.4
234.99042	3.2
237.02823	32.4
250.02716	1.7
259.04959	2.0
260.96951	6.0
261.02890	4.4
261.06598	1.8
277.02551	1.5
279.03824	2.8
302.98007	1.6
321.08484	100.0
322.09048	2.0
339.09631	42.7
381.07825	21.7
381.11279	10.7
385.94611	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05500	0.7
67.05501	1.2
69.03428	3.9
70.10173	2.4
71.47588	0.5
79.05517	0.7
81.03426	4.2
81.07047	1.9
85.02901	1.8
85.06528	0.5
89.03925	8.4
91.05492	1.7
92.48003	0.5
93.07059	1.3
95.08597	1.6
97.02892	3.0
99.04458	1.5
103.05461	0.8
105.06994	1.0
107.08614	0.9
109.02893	2.7
109.06557	0.7
109.10153	0.7
112.17166	0.5
117.03387	25.4
119.08555	1.4
121.10128	1.3
127.03931	1.4
127.51643	0.5
131.04965	0.6
133.10155	0.8
134.03627	1.8
135.04448	1.0
137.06029	0.7
145.02855	56.5
149.05975	7.9
161.13268	0.8
177.05481	100.0
178.05815	1.2
186.05493	1.4
214.88379	0.6
215.06946	0.9
239.50696	0.5
261.07632	1.5
261.57867	0.5
321.09753	2.3
381.12387	2.1
381.31647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55637	0.4
53.03948	1.6
55.05508	0.5
57.04370	0.4
57.98489	0.4
60.28086	0.4
63.02384	0.7
63.99909	0.4
67.01888	0.7
67.05505	1.2
69.03436	3.1
69.07050	0.8
71.03125	0.6
71.04981	0.8
74.96893	0.4
79.05487	0.7
81.03421	3.8
81.07052	0.4
85.02902	1.8
89.03931	8.3
91.05491	1.4
93.07048	1.0
95.05023	0.7
95.08619	1.2
97.02898	3.6
99.04453	1.4
105.07031	1.1
106.04160	0.4
107.04974	1.0
107.08597	0.9
109.02900	2.9
109.10190	0.7
117.03388	26.1
119.08646	0.6
127.03914	1.5
131.04916	0.6
134.03644	1.8
135.04428	1.3
136.65530	0.4
145.02855	56.7
145.10214	0.6
146.03207	0.5
149.05980	7.1
151.07599	0.9
157.10095	0.5
157.36230	0.4
163.03946	0.6
171.11649	0.5
177.05479	100.0
178.05841	1.3
186.05511	1.6
187.06000	0.5
285.91208	0.4
289.18076	0.4
321.09689	1.9
361.90964	0.4
369.63150	0.4
381.12119	1.9
381.31454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
57.07076	1.3
64.52477	0.5
67.05502	2.8
69.07061	1.5
70.20111	0.5
71.52213	0.9
74.61533	0.6
75.32043	0.5
79.05495	1.6
81.07061	3.0
83.08620	1.1
85.06522	0.6
89.06040	1.9
91.05466	0.8
93.07048	2.7
95.04984	0.8
95.08606	3.0
105.07050	2.0
107.08607	2.3
109.06554	0.6
109.10172	2.1
119.08574	2.5
121.10172	1.2
123.08079	0.6
123.11720	1.3
128.20056	0.6
131.08598	1.1
133.08606	0.7
133.10110	1.5
135.11649	0.9
145.10124	1.5
159.11726	1.1
161.13266	0.9
171.11671	0.8
173.13252	0.9
201.16481	0.6
212.48412	0.6
289.17642	0.7
299.62613	0.6
358.76212	0.6
381.27673	100.0
382.28085	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	381.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28350	0.4
51.12803	0.4
53.03950	1.7
55.01877	1.3
55.05515	4.8
57.07075	1.6
59.05009	0.7
65.03942	4.3
67.05506	39.4
69.03432	100.0
69.07076	6.1
69.69058	0.4
70.03760	0.5
71.05004	2.0
71.52361	0.6
71.76855	0.4
72.08144	0.4
72.61142	0.4
76.04967	0.4
77.03950	0.7
79.05495	14.5
81.03420	4.0
81.07059	16.3
83.04985	2.2
83.08620	4.5
85.06555	1.4
91.05487	8.4
93.07050	13.6
95.04971	80.7
95.08610	20.3
96.05301	0.9
97.06539	4.1
97.10159	2.5
99.08091	3.2
105.04511	0.6
105.07034	14.3
107.04958	11.4
107.08598	14.7
109.06530	4.1
109.10163	12.6
111.08097	2.0
111.11715	0.4
113.09641	0.7
115.05486	0.9
117.07018	3.6
119.08587	15.9
121.06482	2.6
121.10149	15.2
123.08077	5.3
123.11715	8.9
125.09653	2.6
127.11215	0.6
128.06219	0.9
129.06993	2.6
130.07776	0.8
131.08575	10.0
133.06503	1.1
133.10136	12.4
135.08055	11.5
135.11691	4.9
137.09644	3.5
137.13287	1.1
139.11221	1.6
141.07024	1.1
142.07803	1.3
143.08562	8.3
143.11798	0.6
144.09329	1.0
145.10124	13.1
146.07323	0.5
146.10789	0.5
147.08081	1.7
147.11693	7.9
149.09654	3.1
149.13283	2.7
151.11192	2.7
153.12759	0.5
155.08554	4.5
156.09367	1.5
157.06519	0.4
157.10138	9.3
159.08083	0.6
159.11705	13.4
161.09631	6.6
161.13251	6.9
163.11215	1.9
163.14850	1.3
165.12823	2.2
167.08582	1.4
168.09431	0.8
169.10124	7.1
170.10947	0.9
171.08064	0.6
171.11696	8.5
172.12517	0.6
173.09656	1.5
173.13254	7.3
175.11230	3.9
175.14818	3.0
177.12704	2.7
177.16467	0.5
179.08585	0.8
179.14429	0.5
180.09375	0.7
181.10173	2.8
182.10915	1.1
183.11702	7.6
184.12444	0.6
185.09726	0.9
185.13263	8.5
187.11217	1.6
187.14818	12.5
189.12761	2.1
189.16368	2.7
191.14323	1.2
193.10149	1.2
193.16032	0.5
194.10895	0.6
195.11655	4.4
196.12485	1.6
197.13304	5.4
198.13892	0.6
199.11180	0.6
199.14825	6.0
201.12695	2.3
201.16399	4.4
203.14285	2.7
203.17984	1.0
205.15919	1.3
207.11778	1.6
208.12505	0.7
209.13255	3.4
210.14047	1.5
211.11232	0.6
211.14807	6.9
212.15591	0.6
213.12936	0.6
213.16364	5.3
215.14365	1.1
215.18016	2.0
217.12297	0.5
217.15898	1.8
217.19344	0.5
219.11694	0.8
219.17491	0.7
221.13255	1.7
222.41676	0.4
223.14856	3.0
224.15533	0.5
225.16382	9.1
226.17056	0.5
227.14293	1.4
227.17998	4.3
229.15878	4.3
229.19427	0.8
231.17397	3.1
233.13242	0.7
234.13918	0.6
235.14911	1.4
236.15578	0.5
237.16252	2.3
239.14366	0.9
239.18022	3.9
241.15869	1.6
241.19522	1.7
243.17485	3.3
245.19026	4.7
247.14703	0.6
249.16409	1.7
250.17168	0.4
251.17950	2.9
253.15982	1.5
253.19591	1.9
255.17476	1.8
255.21004	1.0
257.19003	3.4
259.17834	0.5
259.20572	4.3
261.16495	0.5
263.17981	1.0
265.15872	0.5
265.19516	2.3
267.17511	1.5
267.21030	1.2
269.19037	2.5
269.22626	1.4
271.16708	0.5
271.20563	1.2
273.22104	1.3
275.17883	0.7
277.19547	3.3
279.17642	0.9
279.21112	1.5
280.21957	0.7
281.18973	2.6
281.22003	0.5
283.20654	2.6
285.22211	0.7
287.23788	0.9
289.19589	0.4
293.18982	1.7
293.22293	0.8
295.20609	6.4
295.24219	9.8
296.24469	0.5
297.21970	3.1
303.20926	0.7
305.22394	0.6
307.20602	1.7
309.22205	1.4
311.20078	0.8
311.23624	4.8
313.25269	11.0
319.24271	1.1
321.22073	2.4
321.25848	1.1
323.23712	1.7
325.21661	0.8
335.23691	1.0
335.27237	0.8
337.25308	8.8
339.23175	1.1
339.26971	1.9
345.25583	2.3
348.24677	0.5
351.26859	1.2
353.28403	1.4
363.26825	21.9
364.27118	0.8
381.27863	73.6
382.28177	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	381.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.3
55.01853	3.1
55.05520	15.5
55.99572	2.1
57.03424	2.7
57.07082	3.1
58.32995	1.9
63.81261	2.5
67.05182	3.1
67.05508	33.7
69.03425	8.2
69.07072	15.8
70.97935	4.7
71.23507	2.5
79.05496	24.0
81.06593	4.5
81.07059	81.8
83.08624	7.0
85.06556	18.0
91.05484	28.7
93.07047	59.8
95.04974	7.2
95.08611	55.4
97.06534	5.3
97.10146	3.9
99.08098	3.1
105.07027	46.1
107.08588	51.2
109.06489	3.0
109.10163	30.2
111.08038	2.5
111.11767	2.5
115.05488	2.4
117.07025	6.7
119.08581	46.6
121.10155	33.0
123.11736	16.0
129.06999	3.8
130.07770	2.6
131.08591	20.6
133.10138	31.7
135.11708	17.3
137.13237	5.1
142.35075	2.4
143.08611	11.4
145.10124	34.0
147.11684	23.6
147.57973	2.4
147.85774	2.5
149.13280	15.9
151.11203	2.3
155.08539	3.1
156.09366	3.1
157.10147	23.0
159.11693	40.5
161.09616	2.7
161.13257	20.7
163.11182	3.1
163.14842	11.0
165.12633	3.4
168.09363	2.5
169.10127	8.0
170.10915	2.4
171.11737	17.6
173.13284	22.8
175.14828	12.5
177.12706	2.9
177.16431	3.5
183.11711	9.6
185.13300	12.9
187.14879	14.8
189.12770	3.5
189.16405	10.5
191.14366	2.8
197.13258	6.9
199.14835	11.9
201.16380	10.3
203.14438	3.4
203.17979	6.6
209.13341	2.9
211.14893	7.5
213.16376	11.9
215.17853	6.2
223.14841	3.1
225.16454	5.7
227.17865	10.9
229.15849	2.9
229.19547	5.3
231.17252	2.4
239.18071	5.2
241.19551	6.0
245.18968	3.0
253.19539	4.6
255.21167	4.2
257.19095	4.2
265.19296	2.6
267.21066	6.2
269.22623	7.8
271.24380	2.8
281.22690	6.1
283.24222	7.3
295.23856	2.7
311.23892	4.2
323.27310	3.7
325.25552	2.5
337.29095	3.4
363.30438	20.3
381.27609	6.1
381.31595	100.0
382.31812	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73470	3.2
55.05510	18.6
57.07067	7.6
67.05507	36.9
69.07068	28.9
69.56261	7.5
69.56660	18.7
71.08635	3.6
79.05495	21.0
81.07058	86.1
83.08620	12.9
85.06551	16.8
91.05489	32.2
93.07050	60.9
95.04952	4.4
95.08611	62.2
97.10207	3.3
105.07037	45.8
107.08599	50.1
109.06522	4.0
109.10162	41.5
110.06056	3.6
111.08077	7.7
117.07009	9.0
119.08578	43.9
121.10157	33.3
123.08075	3.2
123.11690	18.8
125.24033	3.8
129.07033	4.5
131.08572	20.6
133.10138	30.6
135.11693	19.6
139.84428	2.9
142.07726	3.1
143.08551	10.4
145.10120	25.0
147.11703	31.6
149.09512	3.5
149.13272	14.9
155.08578	5.2
157.10123	19.4
159.11693	34.2
161.13248	20.9
163.14827	8.3
169.10051	9.0
171.11646	11.1
173.13266	16.7
175.14789	11.3
177.16348	4.0
183.11786	6.4
185.13290	10.4
187.14844	14.2
189.12755	4.6
191.17821	3.7
197.13194	6.3
199.14832	10.7
201.16357	10.7
203.17892	5.9
211.14893	7.7
213.16406	13.2
215.17970	7.3
225.16406	5.7
227.17995	12.1
229.19569	6.6
239.17992	8.2
241.19519	4.2
243.13722	3.4
243.21126	4.5
253.19453	4.1
255.21039	4.4
257.22751	3.8
267.21091	7.7
269.22665	4.3
281.22525	7.2
283.24258	5.7
323.27448	3.1
323.97076	3.5
363.30139	21.5
381.31534	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.44427	1.9
54.04007	2.2
56.05009	3.1
56.96555	2.6
57.07077	5.6
57.40294	2.0
59.06601	2.0
60.04524	3.6
62.04300	2.0
67.05513	3.2
69.07066	3.3
70.02940	4.9
71.16972	3.2
71.17305	3.5
72.04503	11.3
73.02881	2.9
74.06075	2.1
81.03397	2.3
84.04497	2.5
84.08144	4.7
85.02900	6.8
85.06541	4.4
86.09700	8.4
87.05586	2.7
87.08108	3.5
90.05558	71.1
95.04949	3.0
98.02425	12.4
98.97572	4.7
101.07076	3.0
101.94225	2.3
103.07555	5.0
107.04961	4.7
110.07169	6.1
112.07622	2.6
113.06019	2.9
116.03444	9.0
120.08117	23.6
124.07585	7.8
127.03851	2.7
136.07584	3.5
142.08640	3.6
147.04314	2.6
148.06030	2.8
156.07639	4.8
162.09100	3.0
166.08618	2.5
169.94101	2.0
184.09680	11.7
188.00082	2.1
202.10774	19.6
204.37914	2.0
207.11304	11.5
211.91109	2.4
220.11815	100.0
221.12924	11.3
241.60968	2.1
371.80920	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98672	0.3
56.96571	6.9
65.54667	0.3
69.95910	1.4
71.95271	2.4
98.21449	0.4
98.97591	100.0
99.97952	0.6
116.98630	46.3
121.26170	0.3
134.99670	12.3
140.00220	0.4
153.00739	0.9
174.97795	0.3
181.97432	0.5
192.98836	0.4
216.98837	1.5
219.02097	0.8
234.99840	1.9
240.98680	4.8
258.99789	66.6
259.99985	2.0
261.03003	0.9
262.03290	0.4
263.02881	0.3
274.97565	0.5
277.00842	67.0
278.00977	2.1
279.01074	0.4
282.01331	1.3
283.00043	3.2
284.00491	0.3
292.91440	0.5
295.01791	0.4
300.02371	0.9
301.01050	3.2
303.01004	0.3
316.99176	0.4
317.98849	0.6
340.98987	0.4
359.00720	0.9
360.00397	0.4
376.93500	0.5
382.99878	2.0
400.93521	0.3
401.01102	6.0
402.01437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90755	1.6
54.67529	1.5
56.94311	3.9
57.03436	4.1
58.91124	1.4
61.02932	3.6
62.70577	1.4
65.52930	1.5
69.03435	10.4
70.02966	1.9
71.53390	1.4
72.93787	3.1
73.02907	2.8
74.02451	2.4
81.03426	7.4
82.02978	1.9
85.02908	31.3
94.06563	2.7
97.02890	7.6
98.97589	5.3
99.04411	1.8
102.43250	1.7
107.04932	1.5
109.02866	3.6
110.07167	3.1
118.06538	4.9
127.03915	3.8
130.06531	64.3
131.07242	1.9
132.04456	17.6
132.08107	4.8
132.95827	3.0
136.07635	2.2
144.08090	26.5
144.95847	2.2
145.05020	2.2
145.07623	17.6
146.06013	8.2
148.07576	5.0
154.06509	6.5
156.08089	4.0
157.07614	61.9
158.06017	47.5
158.97404	8.9
158.99727	1.7
159.09196	9.2
169.07625	5.0
170.06192	2.5
171.09171	10.0
172.07599	12.3
174.05516	8.7
175.07172	2.5
175.08673	50.5
176.07115	2.7
176.98503	1.9
181.07664	2.9
182.05959	2.8
182.08386	3.2
183.09157	14.3
184.07611	4.3
185.07140	10.6
186.05496	4.2
186.07828	1.9
186.96989	3.0
188.07082	2.1
194.97371	5.1
199.08670	10.2
200.07104	14.7
203.08154	100.0
204.06613	3.8
207.09210	2.8
209.07135	7.3
213.06660	2.4
215.08147	4.0
216.08905	4.1
216.98062	3.8
217.09720	32.4
221.09212	47.9
225.10255	1.7
227.08162	12.6
228.06520	2.9
231.07643	7.3
234.98990	15.0
243.61983	1.6
245.09236	23.8
257.09119	1.9
263.10281	40.3
269.09283	2.6
281.01065	2.0
283.10742	2.2
293.01224	2.6
299.10352	5.6
311.10361	2.5
323.06494	1.9
329.11401	2.8
347.12332	9.0
348.10809	9.5
365.13467	23.3
368.01736	3.5
383.04263	10.9
383.14551	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	383.1489
Annotation	Egonolpropanoate
Peak:m/z	Relative Intensity
51.21515	1.0
52.64116	1.1
53.03939	1.6
55.01851	1.8
55.05501	2.2
57.03443	5.8
58.11414	1.1
67.05485	3.7
69.03430	100.0
69.07057	1.7
70.22818	3.3
70.23203	2.5
71.04971	2.4
79.05475	3.8
81.07067	6.0
83.04948	3.3
83.74046	1.3
84.16759	1.1
85.02937	1.3
90.15647	1.1
91.05471	3.5
93.07034	3.7
95.04944	2.0
95.08604	2.5
99.08066	1.6
100.11257	1.3
105.07024	4.3
107.04970	1.6
107.08598	2.8
108.40540	1.2
109.10126	2.0
111.04431	3.8
118.82524	1.3
119.08553	3.3
130.86029	1.4
131.04936	1.5
131.08597	1.3
133.10121	1.5
134.30634	1.4
136.13380	1.4
137.05986	3.2
145.06425	1.5
147.08075	1.3
147.11597	1.3
152.60951	1.2
159.11607	1.7
161.05978	35.0
163.07483	1.2
165.06961	2.1
167.08479	1.4
175.07520	1.6
179.08559	2.6
183.08041	1.9
184.05304	1.3
187.07458	1.6
190.07820	1.5
191.08582	2.1
194.07378	1.4
195.08119	2.1
199.07607	1.3
202.07875	1.3
203.08510	1.9
207.08003	3.6
209.09624	2.3
210.10338	2.6
211.07542	5.5
212.08264	1.6
218.07129	3.3
219.08115	6.4
220.08865	2.6
221.06038	1.6
223.07573	2.9
224.08351	2.5
225.09044	3.2
226.09885	2.6
229.08411	2.1
231.08078	3.3
233.09616	5.5
234.06737	3.2
234.10320	1.6
235.07553	5.9
235.11140	1.8
236.08220	3.7
237.05536	2.8
237.09036	7.5
238.06169	2.3
238.09789	1.7
239.07043	7.9
239.10629	2.4
240.07802	4.5
241.08565	3.6
245.09586	4.3
247.07645	6.3
248.08269	4.1
249.08951	2.7
250.09883	3.8
251.07033	6.6
251.10591	9.7
252.07901	3.5
253.08632	8.6
253.12292	2.2
254.09314	3.6
255.10132	4.1
257.08066	4.4
257.11710	2.1
260.08215	3.2
261.09171	9.3
262.09921	7.2
263.07016	5.1
263.10632	5.5
264.07761	4.5
264.11285	2.5
265.08533	6.2
265.12238	5.5
266.09378	28.1
267.06491	5.3
267.09979	7.8
268.07367	1.9
269.08279	10.4
269.11453	9.6
270.08893	6.1
271.09634	5.0
272.10474	30.8
273.08859	2.7
275.06982	3.5
275.10611	5.0
276.07849	2.0
276.11566	2.8
277.08609	4.8
277.11844	2.6
278.09286	5.4
279.06796	1.8
279.10114	20.7
280.07269	1.5
280.10849	4.6
281.08069	23.6
281.11609	7.6
282.08871	23.2
283.09586	12.1
285.11176	15.8
287.10626	1.9
289.08569	4.5
290.09384	4.4
291.06729	2.1
291.10110	13.0
291.13651	4.7
292.07379	2.9
292.10794	3.7
293.07990	6.2
293.11658	17.9
294.09015	10.5
294.12103	2.8
295.09616	9.8
295.13202	3.3
296.10211	1.6
297.11212	34.7
297.14365	2.6
298.11850	2.2
299.09113	1.5
303.10178	2.1
304.10889	4.5
305.08289	1.9
305.11624	4.8
306.08813	4.8
306.12500	6.7
307.09653	13.5
308.10297	4.5
309.11160	17.5
309.14853	4.8
310.08374	7.6
310.11331	1.4
311.12772	6.0
315.09772	1.5
319.09818	2.5
319.13248	7.7
321.11249	24.9
321.14917	3.0
322.11908	6.4
323.09268	2.1
323.12775	16.5
324.13507	5.6
325.06851	2.4
325.10693	44.8
326.11343	4.0
327.12274	3.3
333.11108	1.4
334.12067	4.3
335.12601	2.0
337.10413	2.1
337.14313	15.7
339.12238	11.0
347.12750	5.8
350.11328	1.4
351.12115	3.5
352.12881	6.2
353.10129	1.5
355.15378	10.1
365.13855	26.5
368.12592	2.1
383.10245	2.2
383.14853	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34287	2.0
65.03915	2.6
67.05502	7.4
69.03400	2.7
69.07063	3.9
70.06600	3.3
70.23148	7.0
70.95571	2.0
71.04974	2.8
76.23495	2.0
79.05493	9.8
81.07066	11.7
81.07511	2.4
81.32336	2.2
83.04971	3.3
83.08595	3.7
85.06537	3.0
91.05487	10.8
93.07032	7.7
94.04165	7.0
95.04969	2.6
95.08604	8.2
97.06536	4.2
103.05459	3.1
105.07052	15.0
107.04945	6.2
107.08592	5.8
109.06514	5.1
109.10135	7.1
115.05452	3.8
117.07056	2.1
119.08591	7.5
121.10104	3.6
122.03648	13.4
123.11777	2.4
128.06232	4.5
131.04939	3.7
131.08530	4.6
133.06458	6.0
133.10168	3.1
134.87163	1.8
135.11694	2.7
137.05983	100.0
139.05438	2.5
141.07002	3.3
143.08588	2.0
145.06435	3.3
145.10080	2.7
146.03606	2.5
147.04417	2.2
147.11755	2.6
149.06001	2.4
149.13318	2.8
151.03969	2.0
155.08481	2.8
156.05688	3.1
159.11703	2.4
161.05986	31.7
161.13292	2.5
165.06949	3.0
167.07086	2.2
168.05728	2.1
169.06436	2.2
171.08105	2.8
173.06046	2.4
175.07501	4.2
184.05208	8.8
185.06049	2.1
189.16451	2.1
190.07883	2.1
191.08549	5.6
199.07550	81.1
200.08032	2.8
202.07796	17.4
203.08595	19.8
204.09267	3.2
205.06488	2.6
211.07579	4.1
219.08078	9.9
220.08803	9.7
229.08578	5.1
231.08038	27.0
232.08777	4.7
233.06131	3.0
234.06747	2.7
235.07722	2.8
237.09239	3.2
245.09550	2.8
247.07520	6.8
248.08337	18.1
249.09148	4.9
259.07538	18.4
260.08337	7.8
261.08987	4.5
262.09921	3.5
263.10699	18.3
265.08508	4.6
275.07043	5.3
276.07883	11.5
277.08554	8.9
279.10065	2.1
291.10172	67.9
292.07803	2.5
292.10852	10.7
293.08075	8.2
294.08725	2.3
295.13358	2.9
305.07919	3.5
307.09485	2.2
308.07019	2.0
308.10504	6.3
309.10925	2.6
319.09567	2.3
320.10208	2.2
321.07556	3.9
323.09225	3.3
323.12805	26.2
333.11075	2.2
335.12759	7.1
337.10373	2.6
351.12274	5.4
365.13730	3.8
383.10474	10.1
383.15613	16.9
383.28964	4.1
383.33322	3.8
400.80853	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	383.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
54.77452	3.6
55.01879	16.1
55.05508	16.1
57.03434	8.2
57.07064	4.8
59.04996	3.4
61.02935	5.7
67.05505	18.6
68.99792	10.4
69.03432	100.0
69.07070	11.2
70.54934	9.0
71.01339	4.0
71.04997	54.3
73.02920	3.7
79.05484	26.0
81.03421	69.1
81.07059	38.8
83.04982	6.0
83.08610	5.0
85.02914	46.7
87.00847	32.5
91.05490	43.3
93.07040	48.4
95.01321	4.5
95.04984	15.0
95.08604	24.5
97.02894	43.2
97.06532	4.7
99.04440	4.8
99.08110	15.3
103.03960	5.1
103.05452	5.0
105.01867	4.1
105.07034	58.5
107.04927	9.7
107.08595	49.4
109.02892	10.4
109.06530	21.7
109.10146	21.5
111.04443	5.2
115.03934	7.7
115.05481	5.3
117.07026	22.3
119.04975	7.6
119.08587	45.9
121.06532	21.0
121.10150	31.5
123.04449	11.8
123.08069	18.0
123.11739	11.9
125.05966	3.8
125.09661	4.8
127.03923	10.4
127.07562	22.3
128.06250	8.6
128.76273	3.3
129.01816	5.2
129.07004	15.2
130.07811	7.0
131.04898	4.4
131.08583	25.3
133.06485	12.2
133.10155	21.1
135.04446	3.6
135.08054	16.9
135.11702	23.0
137.06052	8.2
137.09639	11.7
143.08560	21.6
145.06493	10.7
145.10136	43.0
147.02985	4.7
147.08080	24.0
147.11699	23.0
149.06020	5.1
149.09660	10.8
149.13245	6.8
151.07578	10.5
151.11172	18.4
155.08594	12.8
156.09384	3.5
157.10136	9.2
158.07283	9.1
159.02876	12.5
159.08078	9.3
159.11714	13.8
161.06018	6.2
161.09671	6.9
161.13229	7.0
163.07495	6.7
163.11243	17.2
165.09128	4.2
165.12727	27.0
171.08038	15.3
171.11751	6.3
173.09624	55.8
173.13242	6.9
175.07559	18.3
175.11226	12.6
177.11414	3.8
177.12712	20.4
179.10651	3.4
179.14352	4.6
183.11705	4.1
187.07582	3.5
187.11172	7.6
187.14742	3.6
189.09135	13.7
189.12758	13.0
191.10637	19.2
193.08614	3.8
193.12247	8.1
195.09982	3.5
197.13283	7.5
201.03926	20.5
201.09183	5.1
201.12741	9.9
205.12265	10.7
207.13852	7.8
215.14351	13.9
219.13866	7.9
225.12732	6.7
231.05067	4.1
233.15382	4.7
238.30014	3.1
243.13797	33.2
252.99013	3.5
261.14832	42.7
279.15848	18.5
280.92740	3.2
299.17896	3.6
321.16827	5.5
347.14966	12.9
365.16022	20.4
383.17267	17.7
395.12411	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	16.2
55.01881	11.7
55.05527	46.1
57.03441	13.5
60.00121	6.9
65.03944	14.4
67.05527	41.2
69.03427	33.8
69.07070	26.8
70.06600	47.7
71.05006	45.9
71.27374	7.7
71.27731	10.9
72.08157	84.0
73.02915	7.8
79.05499	43.8
81.03408	20.9
81.07067	100.0
83.04983	17.7
83.08625	24.0
84.08160	38.5
85.02919	51.4
86.09705	11.3
91.05484	43.8
93.07048	70.1
95.04979	22.4
95.08630	58.9
97.02903	26.7
97.06534	11.6
99.04495	7.0
100.11271	33.4
103.03959	8.2
105.07037	82.6
107.04946	12.6
107.08601	71.3
109.02901	12.4
109.06539	19.1
109.10167	71.9
111.04488	14.0
111.08075	10.9
116.07102	18.4
117.07029	11.5
119.08615	82.1
120.08125	47.4
121.06490	12.8
121.10178	54.4
123.08111	15.8
123.11725	30.7
125.09599	8.6
127.03913	9.8
127.11179	21.4
129.07033	13.7
129.10262	23.2
131.08592	31.2
133.06480	9.2
133.10150	58.0
135.08046	12.5
135.11740	49.6
137.05956	17.0
137.09563	9.7
141.07014	8.7
143.08560	22.9
145.06519	11.5
145.10127	33.9
147.11690	38.9
148.23294	7.0
149.09637	11.4
153.12733	20.4
157.10120	21.0
159.09193	11.8
159.11737	51.0
161.09689	8.8
161.13257	26.1
167.08542	8.1
169.10083	12.9
170.06032	16.2
171.11761	23.0
173.09633	9.3
173.13194	18.8
175.11269	10.8
175.14789	12.0
182.15408	13.7
185.13362	11.7
189.16394	14.3
193.15909	11.5
197.13226	13.5
201.12817	10.3
201.16435	11.8
203.08658	9.2
203.18045	14.3
210.14940	10.6
213.12720	8.3
213.16406	8.1
220.09007	7.5
229.08546	9.0
231.08163	10.0
233.18956	7.3
243.13745	8.7
245.19072	9.6
247.07663	12.0
248.08473	10.7
261.14847	9.7
293.08307	10.3
298.15656	11.1
311.19931	10.9
312.43405	8.7
319.09698	9.2
323.12695	15.6
329.20972	9.0
337.10880	12.0
347.22177	12.9
351.12360	22.5
352.13190	8.7
368.12561	10.7
383.15012	82.2
383.24185	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	383.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01870	6.7
55.05507	16.9
57.03440	6.1
57.07079	10.9
59.04985	6.2
61.43816	4.6
65.03962	4.1
67.05511	41.6
69.03429	18.6
69.07066	13.8
71.04993	7.9
71.08612	4.8
71.51379	6.9
79.05498	35.1
81.03410	4.4
81.07060	55.4
83.05004	10.5
83.08607	10.9
85.06550	8.5
91.05481	51.6
93.07043	100.0
95.04974	28.5
95.08608	56.2
97.02927	5.3
97.06566	10.1
105.07038	71.5
107.04928	3.5
107.08591	58.6
109.06512	27.1
109.10145	32.1
111.08083	12.2
111.92349	3.8
117.07008	9.0
119.08590	61.0
119.54987	3.9
121.06516	15.5
121.10159	41.4
123.08089	28.7
123.11682	4.3
128.06230	9.8
129.07021	9.6
131.08601	35.7
133.06456	7.2
133.10167	37.2
135.08049	24.6
135.11699	12.1
137.09604	13.1
141.06960	5.1
142.07806	14.2
143.08543	25.3
145.10179	33.8
147.08073	26.2
147.11699	19.6
149.09656	25.1
151.07562	60.7
151.11322	4.1
155.08566	5.0
157.10124	37.2
159.08018	6.5
159.11690	21.8
161.09608	20.1
161.13261	17.1
163.11230	10.0
165.09135	37.4
169.10197	6.8
170.10901	6.6
171.11662	10.8
173.09615	12.5
173.11859	4.9
173.13286	13.9
174.10384	5.9
175.11151	22.3
175.14795	8.7
177.09106	9.9
183.11745	8.5
185.13287	22.6
187.11192	6.0
189.09105	9.9
189.12767	9.8
197.13239	6.2
199.11142	8.0
201.12717	5.8
201.16257	4.2
203.14368	26.0
207.13821	10.2
215.14355	5.3
215.17915	4.7
217.12369	6.4
219.13762	6.6
221.15375	80.1
227.14441	7.2
229.12346	4.3
233.15520	4.9
234.16176	11.8
287.20044	5.8
291.78711	4.3
365.24741	11.4
383.20380	40.8
383.25708	62.5
383.29745	9.6
408.70538	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	383.2584
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
52.51004	3.5
53.03944	8.5
55.01870	3.9
55.05519	20.4
57.07063	14.8
57.86187	3.9
59.04999	8.3
65.03933	6.2
67.05506	34.4
69.03435	17.8
69.07065	14.0
71.04997	7.4
71.08633	3.9
79.05495	32.7
81.07067	40.2
83.04984	6.2
83.08585	9.4
85.06526	6.3
91.05482	44.3
93.07050	100.0
95.04978	25.9
95.08072	4.0
95.08617	45.2
97.06550	17.6
97.09543	3.2
99.04439	4.4
105.07040	79.1
107.04970	6.3
107.08599	46.4
109.06529	25.0
109.10169	21.9
111.08077	13.5
117.07030	10.9
119.08591	54.8
121.06496	10.4
121.10157	54.2
123.08085	30.8
123.11736	6.6
125.09616	4.1
128.06215	10.8
129.06989	14.3
130.07768	3.8
131.08589	26.5
133.06493	6.1
133.10126	36.2
135.08075	27.3
135.11726	6.6
137.05969	4.5
137.09616	13.6
141.07050	6.5
142.07796	21.4
143.08575	23.1
144.09377	5.1
145.10141	42.4
147.08089	23.5
147.11774	16.2
148.08786	3.5
149.09622	24.8
149.13280	3.7
151.07559	49.3
155.08539	9.4
156.09341	7.5
157.10136	43.5
159.08040	10.3
159.11690	15.8
161.09663	17.3
161.13258	11.4
163.11179	9.9
165.09154	37.0
167.08614	4.9
169.10121	7.5
170.10828	5.2
171.11699	10.1
173.09589	10.4
173.13271	10.7
175.11162	21.1
175.14752	8.2
177.09108	9.6
181.10075	3.8
183.11710	8.6
185.09709	4.0
185.13283	24.3
187.11214	8.7
187.14946	4.8
189.12817	6.0
195.11717	4.7
197.13327	5.0
199.11282	4.8
199.14825	6.5
201.12741	7.0
203.14307	27.3
205.12396	3.7
207.11899	3.9
207.13808	11.4
209.13298	4.6
209.15370	8.5
211.14767	3.9
213.12679	4.4
215.10789	3.7
215.14354	7.3
219.13788	4.1
221.15370	57.3
225.12720	5.5
227.14355	4.5
233.15311	6.3
234.16156	14.0
239.14441	4.4
243.13904	6.3
255.66643	3.5
265.16092	3.2
267.17545	4.4
269.18991	3.6
271.16840	4.1
286.19409	4.9
287.20007	11.1
299.20117	4.5
303.19501	10.0
324.25793	3.4
365.24777	11.2
383.14911	3.8
383.25732	77.8
383.29758	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.47816	3.0
53.03943	8.5
55.05521	18.9
57.07069	11.4
59.05012	5.0
65.03917	4.4
65.80210	2.5
67.05512	42.2
69.03434	12.7
69.07064	12.3
70.56828	6.2
70.57192	6.6
71.04979	8.0
78.07225	2.9
79.05500	29.4
79.29467	2.7
81.03422	4.7
81.07070	49.6
82.70284	2.8
83.04964	8.2
83.08620	7.0
85.06541	10.1
91.05488	48.9
93.07052	100.0
95.04984	30.3
95.08055	5.3
95.08618	52.6
97.06527	10.3
103.05467	3.4
105.07040	86.2
107.08617	45.1
109.06525	23.3
109.10163	37.4
111.08069	14.8
117.07013	15.8
119.08604	59.6
121.06521	17.5
121.10170	48.2
123.08062	32.8
123.11718	5.9
128.06226	5.6
129.07008	12.4
130.07782	8.5
131.08578	34.1
133.06500	10.7
133.10149	29.7
135.08076	25.3
135.11685	11.3
137.06003	3.9
137.09631	16.0
138.46797	2.9
141.07010	4.2
142.07796	21.0
143.08551	23.6
144.09305	3.7
145.06625	3.3
145.10130	38.3
147.08041	27.4
147.11678	17.6
148.08932	2.9
149.09648	29.7
149.10791	4.4
150.10350	3.0
151.07559	72.8
153.09061	4.5
155.08603	9.0
156.09358	10.3
157.10155	41.1
158.10899	4.4
158.90617	3.1
159.08121	6.6
159.11731	19.1
160.08757	4.2
161.09665	17.8
161.13283	11.2
163.11194	6.0
165.09125	49.3
169.10176	7.2
170.10880	5.8
171.11681	12.1
173.09599	9.3
173.13269	12.6
175.11188	19.0
175.14851	9.3
177.09146	16.8
177.12817	4.0
181.10175	4.3
182.10875	3.5
183.11732	6.6
185.13306	19.3
187.11163	7.4
187.14838	6.0
189.09143	6.4
189.12793	11.1
191.10693	3.8
191.14264	5.0
195.11707	4.8
197.13214	6.4
199.11133	8.3
201.12799	12.0
203.10704	6.0
203.14348	28.2
207.12061	3.1
207.13785	16.7
209.13326	4.8
211.14801	3.6
213.12717	5.2
213.16428	4.8
215.10774	3.9
215.14328	6.3
217.12164	4.8
219.13849	4.3
221.15381	70.5
223.14729	4.0
227.14279	3.9
229.12285	3.7
231.13835	5.7
233.15375	6.6
234.16170	18.0
243.13828	6.3
257.15213	4.8
281.19153	3.8
286.19226	6.2
287.20129	5.0
299.20178	5.6
303.19556	11.4
323.12827	7.0
323.23499	2.8
365.24875	12.3
383.25626	65.9
383.29706	7.2
384.25891	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	383.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21973	0.7
51.29523	0.6
53.64624	0.6
55.05517	0.8
56.05053	0.7
59.34995	0.6
60.05650	6.6
68.05021	0.9
69.03416	0.9
69.07074	1.5
70.02975	0.6
70.06596	100.0
71.04993	2.9
71.06931	0.7
71.50769	0.6
72.08154	5.1
79.05467	0.8
81.03420	0.8
84.04505	1.0
84.08151	5.7
85.02904	0.8
86.09708	17.4
87.05596	0.7
87.46352	0.6
88.07640	1.3
91.05505	1.2
95.06107	0.8
97.07661	2.8
98.06065	8.0
99.04429	0.7
101.26478	0.7
107.04952	1.3
107.38171	0.7
110.07188	3.3
112.08731	36.0
113.07127	2.8
114.10302	1.8
115.08689	8.6
116.07057	1.2
119.04932	0.8
120.08111	2.0
124.08771	1.3
125.10775	0.7
127.08714	3.2
129.10277	1.7
129.11394	1.3
136.07610	1.2
138.12781	10.6
139.09808	1.2
140.08186	7.0
147.04401	1.5
155.08185	2.5
156.12411	1.2
157.10860	34.4
165.13937	0.9
166.12300	1.7
167.15407	0.9
177.13885	0.6
182.16557	2.2
183.14944	16.9
195.15016	0.9
208.14656	0.8
209.17737	0.9
210.16055	1.7
211.14380	3.4
225.17097	21.4
226.17455	0.9
240.17047	0.8
242.19775	30.0
252.18211	2.4
253.16508	1.6
268.16559	0.8
269.20874	10.5
270.19266	19.1
306.21814	0.8
338.25537	2.2
355.28162	63.5
356.28506	1.8
365.26602	2.7
366.25357	0.8
383.14603	1.0
383.27661	45.1
384.27765	1.7
385.96344	0.7
408.32431	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2946
Annotation	desmethyl tocotrienol
Peak:m/z	Relative Intensity
52.33671	3.5
53.03953	4.3
55.05506	6.9
56.73785	3.0
57.03419	3.3
65.03926	4.1
67.05177	5.3
67.05510	47.5
69.03435	100.0
69.07061	10.6
71.52320	4.5
79.05502	23.6
81.03403	6.5
81.07054	26.5
83.08601	6.9
91.05486	17.3
93.07047	29.8
95.04972	84.7
95.05569	6.0
95.08611	44.6
97.10171	4.9
105.07028	24.7
107.04948	13.4
107.08585	30.4
109.06507	5.0
109.10168	26.6
111.08084	4.2
117.07004	4.5
119.08578	25.0
120.71521	2.9
121.06475	5.0
121.10140	21.6
123.11716	8.8
125.82294	3.0
129.06979	3.4
131.08614	14.6
133.10104	18.9
135.08061	10.8
135.11676	21.6
137.13225	3.2
143.08571	9.2
145.10132	15.2
147.11685	14.2
149.09660	4.1
149.13223	6.9
151.07500	3.4
155.08598	5.7
157.10156	12.9
158.10916	3.6
159.11653	18.5
161.09639	6.8
161.12000	3.8
161.13277	14.4
169.10118	7.2
171.11693	12.3
173.13297	9.1
175.11163	3.8
175.14819	10.4
183.11708	7.0
185.13287	9.1
187.14848	15.2
189.16388	8.4
195.75383	3.2
199.14772	7.7
201.16389	7.6
201.48647	3.5
207.11670	2.9
211.14850	5.7
213.16406	7.4
215.17931	5.8
225.16385	7.1
227.17938	4.7
229.15892	6.6
239.18120	3.8
241.19530	6.7
243.17455	4.6
243.21107	4.7
267.21005	5.1
297.25821	11.4
321.25714	5.1
324.08069	3.2
339.26974	4.4
345.42313	3.3
347.27359	7.8
365.28406	41.8
383.29413	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	27.3
57.07066	14.1
58.83841	5.9
59.66566	6.9
64.86080	6.0
67.05500	36.5
69.03427	6.2
69.07076	43.1
71.05006	8.3
71.52073	6.8
79.05493	29.5
80.10332	5.1
81.07058	81.4
83.08624	26.5
85.06540	31.5
91.05492	31.6
93.07040	59.9
95.08617	97.8
97.10184	10.7
103.05484	6.5
105.07039	82.9
107.08601	54.3
109.06537	6.7
109.10165	50.9
119.08589	100.0
121.10147	72.9
123.08018	6.9
123.11710	27.4
131.08571	13.5
133.10136	65.2
135.11690	40.5
136.55417	5.9
137.13289	15.2
143.08482	6.9
145.10138	24.3
147.11684	37.2
149.00102	6.0
149.13258	39.3
157.10052	8.7
159.11710	25.5
161.13274	48.9
163.14827	12.2
165.12817	6.1
167.07016	7.7
171.11644	14.9
173.13242	14.9
175.14833	27.4
177.16280	8.3
179.39252	6.4
185.13225	10.0
187.14885	8.3
189.16396	13.8
191.17960	93.1
201.16406	8.5
203.17949	30.4
215.17963	6.6
217.19542	16.2
227.17958	9.1
241.19560	10.2
268.21185	6.1
284.40573	6.7
365.32098	23.7
383.20471	7.4
383.33478	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08262	6.2
51.68631	6.1
53.46787	5.8
55.05509	39.1
55.32677	5.1
56.05028	5.6
60.04499	7.0
63.64384	4.9
69.03439	6.2
69.26070	49.4
70.06591	59.3
71.04985	19.9
72.08145	10.9
81.03414	6.7
81.07052	25.7
83.04971	21.3
84.08146	38.1
85.02875	15.5
86.09692	21.9
91.05464	6.3
93.32290	7.5
97.06509	10.4
98.20729	12.3
99.04474	6.1
107.04975	11.0
107.08590	8.2
107.27000	5.8
109.06504	6.7
110.07152	25.9
115.08616	8.1
120.08067	10.6
129.10233	17.2
166.77846	6.3
169.12241	100.0
181.04883	7.4
204.07770	8.0
207.06512	9.3
217.05006	12.2
253.16466	7.4
258.81232	5.8
275.09088	11.5
384.13550	51.1
384.23526	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	385.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44221	0.9
56.96568	33.5
56.96848	1.9
63.64677	1.0
71.49644	1.3
71.50048	1.4
71.95274	1.5
77.53143	1.1
78.33761	1.1
78.61368	1.2
84.96030	10.4
85.02892	1.3
90.45306	1.0
98.97588	100.0
107.04964	34.8
110.97575	64.3
112.99153	5.8
116.98626	17.8
124.99111	4.9
128.98621	32.0
131.00174	3.6
134.99641	1.4
140.98596	5.4
143.00159	10.7
144.98088	1.7
146.99673	7.2
152.98610	8.9
156.03278	1.6
158.99670	10.8
161.01222	6.3
162.99315	1.1
163.00676	5.0
170.99666	12.7
174.04210	1.5
177.00742	6.5
181.01718	4.8
189.00705	4.2
194.99615	1.5
201.00694	12.3
205.01787	4.3
209.01266	1.7
219.01775	91.3
223.02791	3.0
235.02716	3.2
237.02826	72.2
255.03838	2.2
265.03754	2.2
274.62265	1.1
277.03821	1.7
277.12732	1.2
307.04910	23.3
325.05954	99.8
326.02396	1.6
326.06134	2.5
343.07001	14.7
385.08084	23.2
389.12872	1.1
406.67670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85965	1.1
53.03943	2.7
55.01867	3.4
60.05642	1.2
61.02929	1.7
63.85093	1.0
66.69807	1.0
70.06593	10.4
70.31219	3.2
71.04995	1.7
72.08136	1.9
75.76878	1.1
79.05503	7.8
85.02901	5.7
86.09682	1.2
88.87649	1.1
89.03941	1.1
91.05473	4.4
92.24087	1.1
95.01308	1.3
95.04965	4.9
97.02911	1.4
98.06034	1.4
98.37257	1.1
98.97590	2.1
102.05490	1.3
103.05462	8.7
105.07032	58.1
107.04973	5.9
109.02877	1.1
112.08745	2.7
115.05447	14.8
115.08657	1.4
116.07130	2.3
117.07018	3.4
118.04144	4.6
119.04951	2.9
123.04420	6.0
124.05170	1.5
127.03893	1.6
129.07089	1.3
131.04926	5.6
132.05739	2.2
133.06497	52.8
136.06204	1.1
137.05978	1.6
139.03911	1.3
140.04610	1.4
141.06924	1.1
143.04967	2.2
143.05978	5.7
145.06474	5.4
147.04422	2.8
147.08057	1.5
151.03923	3.5
151.31070	1.3
155.07050	4.1
157.06499	3.0
160.05202	2.1
161.05986	100.0
162.06355	2.7
167.07031	24.7
171.04530	1.4
173.06029	3.2
175.03844	1.2
177.05437	1.8
179.06990	2.0
181.04930	3.2
183.06502	4.9
185.05946	2.0
186.03119	1.3
187.03944	1.9
187.07523	1.8
189.05489	2.7
190.06279	4.2
191.07014	2.5
192.07864	2.0
193.08606	60.6
201.05469	2.4
203.07013	2.2
205.08556	6.7
207.06520	7.2
215.07053	2.2
217.08557	1.3
219.06581	4.1
220.07300	1.8
221.08076	3.8
225.17111	2.9
229.04939	3.2
231.06577	6.6
232.03735	1.5
233.04456	5.3
233.08109	7.1
234.08827	1.9
234.98967	2.1
235.09663	1.9
243.06483	1.9
247.09734	2.1
249.07655	2.9
251.09187	18.0
253.07710	1.5
257.04379	1.5
259.06042	1.8
261.07623	12.7
263.09213	2.6
270.18954	1.4
273.07516	1.9
275.09091	2.9
277.07025	2.0
289.06903	3.1
293.10202	4.2
305.10022	1.3
307.08145	4.0
319.08167	1.8
359.93057	1.3
367.10272	1.5
385.01819	1.9
385.25781	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	385.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77034	2.9
50.84895	2.7
55.01870	6.3
56.96546	8.7
57.03437	4.6
69.03420	5.0
70.06598	30.9
71.50945	4.1
72.08149	5.5
72.93802	2.5
79.05473	9.8
84.08138	8.8
85.02897	12.5
86.09676	3.6
87.62254	3.3
88.02213	3.0
89.34388	2.5
91.05490	6.3
95.04967	5.5
97.02875	8.8
98.97611	21.0
103.05455	9.7
105.07037	63.2
107.04969	18.0
109.02834	3.6
110.07176	4.2
110.97569	9.5
112.08726	9.0
112.99106	3.2
115.05449	16.4
116.07024	4.0
116.98638	6.7
117.07011	4.9
118.04149	6.0
119.04981	5.6
120.08103	5.1
123.04421	7.9
127.03905	5.8
128.98579	6.2
129.93379	3.0
131.04907	6.2
133.06500	64.3
133.20909	2.6
134.02728	3.6
136.06203	5.8
137.05972	3.4
138.09142	5.5
140.04672	2.4
143.06065	4.8
145.06491	7.8
147.04422	12.1
155.07071	4.0
157.05035	3.5
158.97382	4.0
158.99615	4.9
159.07909	3.7
161.05984	100.0
162.06462	2.6
163.04082	2.5
165.72127	2.8
166.72020	2.7
167.07033	32.2
173.05949	6.6
175.03833	5.2
175.06021	4.2
177.05461	5.6
181.04916	3.8
183.06494	5.2
183.14986	3.6
190.06198	4.0
191.07057	4.7
193.08620	74.5
201.05600	4.7
203.07007	4.7
205.08611	8.0
207.06471	6.7
213.07243	2.8
216.97881	3.5
219.01704	10.1
219.06479	8.7
220.07207	5.2
221.08162	4.1
225.17046	7.1
229.04997	3.2
231.06465	9.4
233.04398	8.6
233.08047	8.2
234.98877	3.4
235.05759	3.0
237.02797	12.1
246.05156	3.2
251.09119	21.6
261.07620	15.5
275.09027	6.7
307.08115	5.6
325.05835	8.1
385.14554	8.6
385.25708	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	385.1282
Annotation	4'-Demethyldeoxypodophyllotoxin
Peak:m/z	Relative Intensity
55.01871	1.9
55.05504	1.7
55.38541	0.7
65.03927	2.3
67.05499	1.5
69.07081	0.9
69.39513	1.7
69.39930	4.3
79.05490	1.7
81.07055	2.5
85.02866	1.0
91.05468	3.3
93.03415	0.8
93.07043	1.7
95.08601	2.5
97.06520	0.9
98.21484	1.6
103.05441	0.9
103.40473	0.8
105.07013	2.2
107.04979	1.4
107.08601	0.9
109.06506	0.8
109.10201	1.2
110.03664	2.0
111.04480	0.7
115.05441	1.2
117.06995	1.0
119.08594	1.6
121.02862	0.8
121.06506	1.1
121.10110	0.9
125.05985	2.9
131.04910	1.1
131.08575	0.8
133.06464	1.1
133.10194	0.8
135.04486	1.0
135.11725	1.0
137.05984	1.8
139.05440	0.7
141.06912	1.0
141.16138	0.7
143.08557	0.9
145.06584	1.4
145.10071	1.6
147.04347	1.0
149.02382	1.0
151.03972	1.4
153.05449	3.5
153.06911	1.0
155.08504	1.3
157.06427	1.0
161.05913	0.8
165.06995	4.6
167.07101	1.1
167.08517	1.6
168.05748	1.0
169.10049	0.9
177.06993	1.0
178.07800	3.3
179.08566	3.1
179.14706	0.8
181.06519	2.2
182.07277	0.7
183.08009	1.2
185.05943	1.4
187.07512	0.9
189.07024	1.5
190.07802	2.5
191.08662	3.6
193.04913	1.6
193.06494	1.9
194.07327	2.3
195.08102	3.4
196.08717	0.9
197.05994	1.6
197.09680	1.2
198.06795	0.8
202.07753	1.1
203.08649	1.7
205.06470	3.1
206.07285	1.6
207.08119	4.1
208.08853	1.5
209.09644	2.4
210.06720	1.7
211.07544	2.9
218.07309	3.5
219.08134	5.6
220.05267	1.6
220.08844	1.6
221.05968	2.5
221.09552	1.6
222.06812	2.7
223.07550	3.4
224.08379	2.1
225.09038	2.2
226.06369	0.8
231.08052	2.1
233.05983	1.7
233.09598	1.2
234.06796	3.4
235.07571	8.8
236.08307	4.1
237.05408	1.2
237.09129	2.8
238.06207	1.9
239.07019	3.7
239.10716	1.4
240.07819	1.0
241.08626	1.1
247.07541	4.8
248.08409	2.4
249.05481	1.8
249.09259	3.7
250.06250	1.5
250.09972	0.9
251.07011	5.3
251.10864	1.9
252.07846	2.3
253.08627	4.4
254.09396	1.7
255.10143	1.6
261.09079	2.6
262.06134	1.2
263.07050	3.7
264.07791	4.3
265.08646	7.9
266.09369	2.4
267.06851	1.4
267.10199	5.3
268.07321	1.0
269.08133	1.2
274.06113	1.0
275.07150	1.0
276.07800	2.3
277.08582	2.3
278.09402	2.4
279.06580	2.4
279.10165	5.6
280.07141	1.7
281.08105	3.3
281.11401	1.0
282.08878	1.2
283.09488	1.8
291.10098	1.4
292.07343	1.5
293.08133	2.6
293.11591	1.4
294.08731	1.1
295.09698	4.1
297.07813	0.9
297.11353	1.7
307.09634	27.8
308.10269	1.4
309.11334	2.5
311.09000	1.4
313.10779	1.7
323.09140	7.0
324.09738	1.1
325.10785	5.2
337.10672	2.3
339.12408	2.4
355.11707	2.2
357.13318	2.9
363.75714	0.8
367.11917	1.3
385.12827	100.0
386.13284	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	385.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99468	6.2
55.05513	22.0
57.07070	6.4
67.05499	25.0
69.07080	47.1
71.04998	14.7
71.52148	8.8
79.05492	25.1
81.07060	72.2
83.08624	14.6
85.06542	97.3
91.05493	16.9
93.07049	45.5
95.08617	100.0
97.06519	10.4
97.10174	9.3
105.07035	31.8
107.08608	69.7
109.10147	46.6
119.08577	37.9
121.10136	42.5
123.11731	19.8
131.08615	7.9
132.85704	7.4
133.10141	26.4
134.10257	6.1
135.11674	32.4
135.77986	6.1
137.13243	8.6
145.10173	14.4
147.11705	23.2
149.13269	27.7
155.41357	6.5
159.11732	16.4
161.13277	22.8
163.14835	17.9
173.13245	10.3
175.14784	12.4
177.16472	7.0
189.16388	11.5
191.17976	35.4
203.17973	15.6
205.19533	7.4
217.17749	6.9
217.19499	32.9
243.21085	9.7
247.20549	8.4
257.22675	10.2
299.27283	8.6
385.17920	10.9
385.30182	13.9
385.34781	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01875	2.3
55.93521	2.9
56.32580	0.9
56.94307	6.0
56.96569	10.1
57.03435	4.4
61.02935	4.8
65.03934	1.4
69.03439	14.4
70.06595	7.3
70.16599	2.1
70.16994	2.5
70.95870	5.3
71.01372	1.1
71.04980	2.1
71.92980	1.1
72.08142	3.3
72.93791	14.5
73.02917	4.3
74.95352	2.3
76.04038	1.1
81.03428	7.8
81.68237	1.1
84.08144	5.7
84.96008	1.5
85.02909	31.0
86.03298	1.0
86.09709	6.8
86.95322	2.0
87.04474	1.2
88.96896	1.6
90.94813	6.8
91.05470	1.8
97.02899	15.6
98.21371	1.4
98.97594	17.5
99.04477	3.0
99.08092	1.6
101.00859	2.0
102.94802	2.5
104.96363	1.4
107.04956	4.2
107.94997	1.0
108.95885	1.5
109.02850	5.1
110.03644	1.3
110.07156	1.0
110.97578	3.7
111.67784	0.9
112.99101	1.2
114.94784	1.4
115.02417	1.4
115.39278	1.0
116.01345	0.9
116.02188	1.0
116.07083	1.1
116.96373	1.2
116.98631	5.2
118.94286	1.8
119.01936	3.0
119.04942	2.9
121.22464	1.0
124.99095	1.1
125.35056	1.0
127.02364	1.0
127.03929	8.2
128.96356	4.0
128.98582	3.4
129.10258	1.3
130.93401	1.3
130.97855	1.3
131.01906	2.9
131.04918	1.2
132.10219	1.1
132.95837	51.2
133.02754	1.4
134.06020	10.3
135.04417	2.1
137.05981	8.3
140.07072	1.1
140.96350	3.8
143.00198	1.2
143.01907	2.5
144.95840	19.6
145.03520	1.0
145.04962	3.5
146.97406	1.7
146.99680	1.7
147.04396	6.9
150.05507	12.3
150.96898	13.3
152.05806	1.3
152.07071	17.2
155.01941	1.2
156.95782	1.6
158.97400	37.8
158.99600	2.6
159.00903	1.2
161.01222	1.8
161.02974	1.5
162.96878	8.3
164.27655	1.1
166.97916	4.8
167.07034	1.6
168.95839	8.5
170.97392	3.0
170.99728	1.7
171.01440	1.3
173.02937	1.8
174.96803	15.3
174.99077	1.4
175.11888	2.2
176.98500	12.8
179.06989	2.4
182.99771	1.8
185.02971	3.3
186.96915	24.5
188.98503	1.1
189.02109	1.2
190.96393	2.0
192.97789	4.8
198.96869	13.7
201.00745	4.4
203.03984	1.9
204.98021	5.4
207.00252	1.7
210.96864	14.2
216.97937	26.6
219.01778	3.7
221.05070	2.1
223.02802	1.6
223.97726	1.1
228.97995	5.5
229.06238	1.3
234.99011	100.0
235.99440	1.3
237.02808	5.9
238.03517	1.3
241.03824	1.5
242.03577	2.1
248.98372	9.7
249.00696	1.4
251.05753	2.1
253.00075	8.8
255.01596	1.2
258.00650	1.9
260.98441	3.3
266.99567	3.4
270.01709	1.1
275.05624	1.1
277.00076	43.7
278.00519	1.4
278.99551	1.3
302.98685	1.8
303.05157	2.1
313.07837	1.9
314.98889	2.2
325.00137	2.3
326.98566	1.6
327.01727	16.5
327.07623	1.9
333.10812	2.0
344.99335	1.6
345.02872	3.1
351.07443	6.7
351.11667	2.4
363.00479	1.6
363.04721	1.9
369.12964	5.2
387.03741	3.8
387.13602	6.1
387.27298	5.6
391.98453	1.0
413.05283	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1288
Annotation	Axitinib
Peak:m/z	Relative Intensity
52.03154	0.3
52.57845	0.2
53.03946	0.3
53.64402	0.3
62.36148	0.3
65.32140	0.3
68.99776	0.3
69.16340	2.7
70.06580	0.4
72.08146	0.3
77.27125	0.3
78.04722	1.8
79.05515	1.2
85.02899	0.9
86.09704	0.8
91.05482	0.9
93.07039	0.5
95.01341	1.4
95.04963	0.4
98.20807	0.6
103.05469	0.8
105.07048	1.3
106.04192	1.3
107.04978	2.1
121.06499	1.0
123.04440	4.7
124.05214	1.3
133.06516	0.6
137.05995	0.5
141.01796	0.6
149.05968	1.4
151.03912	1.0
152.04688	1.5
161.05991	1.0
163.11183	0.5
167.07051	100.0
168.07416	1.2
179.07077	0.5
181.08597	1.5
185.16362	0.3
193.08620	4.0
211.09669	3.7
220.50575	0.3
251.99574	0.3
297.67410	0.3
387.16638	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01858	1.2
64.70618	0.5
65.03940	2.5
66.04701	0.6
66.24682	0.5
67.05486	1.8
69.03419	0.9
70.06585	0.6
71.51276	0.6
78.04720	0.4
79.05476	1.8
81.03407	1.1
81.07048	1.0
82.04165	0.5
83.20999	0.4
85.02894	1.7
91.05469	2.0
93.03413	0.9
93.04163	0.5
94.04182	3.1
95.04952	0.5
97.06562	0.6
103.05476	4.8
105.03432	0.7
105.07021	1.0
106.04171	0.6
107.04945	1.9
110.03656	1.7
115.05466	2.6
117.07023	2.1
118.04208	1.2
119.04955	0.8
121.06555	0.5
122.03656	8.2
123.04408	1.6
124.05302	0.6
125.05981	1.0
131.04936	4.2
133.06465	1.2
137.05981	100.0
138.03140	0.7
138.06245	0.7
142.02621	0.9
143.04945	2.8
145.06458	3.0
148.05171	2.7
149.05963	0.6
151.03911	13.5
151.04997	1.1
153.05453	1.5
155.06110	0.9
158.97511	0.6
161.05994	0.7
163.07495	4.3
165.05479	0.6
167.07045	17.8
171.04346	0.6
171.06558	0.9
172.05193	0.6
173.05977	4.4
175.07561	1.5
177.05467	0.8
181.04968	31.3
187.07568	1.0
187.29413	0.5
191.07037	14.4
192.07776	0.6
195.06512	0.9
203.06996	2.6
205.06796	0.6
205.08514	2.6
207.06461	0.6
208.95474	0.6
215.06996	0.9
225.07416	0.6
233.08112	2.1
235.07578	0.8
235.09692	2.1
249.09216	0.7
251.06985	0.6
263.09259	0.8
278.18033	0.5
286.04694	0.7
293.08051	0.5
307.09763	0.7
309.11194	0.7
327.12225	0.6
337.10544	0.6
341.13992	1.0
351.12207	1.2
355.11838	1.5
357.08975	0.9
357.13339	13.1
369.13330	2.2
387.14413	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03941	0.6
55.01863	0.5
65.03931	1.0
66.04716	0.5
67.05505	0.4
69.03426	0.6
69.16998	0.3
70.06590	1.4
70.76209	0.9
72.08145	0.9
75.16302	0.3
79.05486	1.1
81.03421	0.4
81.07036	0.5
82.04185	0.4
84.08134	0.7
85.02900	1.3
86.09695	1.1
91.05491	1.6
94.04189	2.9
95.04962	0.6
95.08629	0.5
97.02865	0.4
97.06551	0.3
103.05485	0.8
105.07036	0.7
107.04939	1.2
109.06537	0.7
110.03632	0.5
115.05450	1.9
117.07015	1.7
119.08675	0.3
119.76363	0.3
122.03654	8.9
123.04430	0.9
125.05999	0.7
127.11250	0.3
128.06201	0.4
129.10260	0.5
131.04935	0.6
132.05701	0.3
133.06467	0.4
133.10065	0.3
135.55048	0.3
137.05986	100.0
138.06303	1.2
143.04939	2.2
145.06485	1.9
151.03900	2.6
155.06039	1.1
161.06056	0.5
163.04027	0.4
164.93417	0.4
167.07050	10.0
171.06573	0.4
173.06007	2.3
175.07556	1.3
181.04974	11.7
189.12735	0.3
203.07011	2.0
205.08601	1.4
206.12970	0.3
207.13852	1.2
233.08144	1.2
235.09660	2.2
287.68036	0.4
298.07947	0.3
351.12521	0.6
357.13364	11.4
369.13196	0.7
387.14423	23.7
387.19699	0.8
388.14426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
50.06300	0.5
50.47021	0.5
53.03938	0.6
55.01872	1.3
55.09637	0.5
58.23167	0.5
58.80931	0.5
62.07541	0.5
65.03933	1.5
67.05518	0.9
70.08873	1.2
72.54156	0.5
78.31010	0.5
79.05478	1.9
81.07063	0.6
85.02898	0.7
91.05470	1.7
93.03445	0.6
94.04205	2.9
95.04996	1.2
97.06551	0.7
103.05467	7.5
105.07026	1.1
106.04176	0.5
107.04954	3.1
108.02086	0.7
115.05459	2.2
117.06999	2.5
118.04163	2.0
119.04976	0.7
121.06507	0.7
122.03651	7.8
123.04427	2.2
124.05236	0.8
125.05991	0.9
130.04173	0.6
131.04919	7.4
132.05676	0.7
133.02859	0.6
133.06506	1.1
134.03606	0.8
137.05983	100.0
138.06337	1.0
143.03984	0.6
143.04936	4.0
145.06519	2.9
146.03647	0.7
147.04413	1.0
148.05194	4.5
149.06004	0.9
151.03918	16.3
151.05052	1.7
153.05447	0.9
155.06108	0.6
159.04379	0.6
160.05237	0.6
161.06047	1.4
163.07547	6.6
165.05576	0.7
167.07059	14.1
171.06509	0.8
173.05981	3.0
175.07559	1.6
175.36830	0.6
177.05464	0.9
178.07808	1.3
180.04254	0.7
181.04956	20.8
187.07579	1.0
191.07028	22.1
192.07561	0.8
193.08588	0.7
195.06583	2.0
202.07741	0.9
203.07047	2.1
205.06471	1.4
205.08636	1.7
206.07321	0.8
217.08716	0.5
219.08119	0.7
220.08838	0.6
231.08150	1.3
233.05937	1.1
233.08025	0.6
234.06804	1.0
235.07564	1.0
235.09698	1.8
246.06923	0.6
247.07542	1.4
248.08321	0.6
249.09097	1.6
251.06981	1.2
259.07544	1.1
261.05493	0.7
261.09177	0.9
263.07056	1.1
265.08575	1.2
276.07828	1.1
277.08624	1.6
278.05917	0.6
279.06677	0.5
279.10172	1.0
281.08121	0.6
287.03952	0.5
287.06909	1.1
291.10098	1.8
293.08142	0.9
295.09604	0.6
305.08096	3.0
306.08789	0.6
307.09711	1.6
309.11050	0.9
319.09537	2.2
325.10886	1.1
329.81009	0.6
337.10818	6.4
339.12238	1.7
342.11096	0.6
351.12161	2.8
355.11838	0.7
357.13358	12.2
369.13593	2.6
387.14407	23.4
388.14835	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
51.00444	0.4
51.47222	0.5
55.01864	0.7
61.80834	0.5
65.03928	1.6
65.77862	0.5
66.04691	0.7
67.05508	1.1
70.68278	1.2
72.70578	0.5
79.05481	1.9
81.03428	0.9
81.07055	0.9
82.04202	0.5
85.02906	1.1
91.05486	2.7
93.03381	0.6
94.04183	3.3
95.04961	0.8
95.08582	0.6
97.06532	0.7
103.05471	5.4
105.03445	0.6
105.07039	1.3
106.04160	0.5
107.04965	2.4
111.04387	0.6
115.05446	2.9
117.07030	1.7
118.04146	1.0
122.03651	7.9
123.04443	0.9
125.06028	0.7
131.04935	5.4
133.02856	0.9
133.06453	0.6
135.04402	0.8
137.05983	100.0
138.06332	0.8
141.05447	0.6
143.04953	2.4
145.06517	3.2
147.07997	0.7
148.05193	2.9
151.03914	13.1
151.05013	1.1
153.05489	0.8
155.06058	1.0
161.06004	0.9
163.07558	5.6
165.05536	0.7
167.07054	11.8
171.06551	0.8
173.05991	3.0
175.07574	1.1
176.04689	1.0
181.04973	21.7
182.05354	0.7
191.07031	16.3
203.06998	2.4
205.08601	1.7
207.09995	0.6
209.08061	0.8
233.08102	1.7
235.09657	2.3
247.07581	0.5
265.85330	0.6
305.07965	0.9
325.10898	0.7
330.97186	0.5
337.10831	1.4
341.14325	0.6
351.12369	1.7
355.11899	0.9
357.13370	11.7
369.13184	0.9
387.14401	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	387.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01879	18.7
55.02482	2.1
63.44834	2.3
65.03943	4.8
70.15165	8.2
74.87569	2.4
75.81237	2.6
78.04716	5.3
78.31933	2.4
79.05495	14.3
81.07055	3.4
82.34940	2.0
89.03922	3.0
91.05474	8.9
93.07037	3.4
94.04195	3.7
95.04967	8.7
98.20821	3.2
103.05455	11.6
105.03329	2.1
105.07023	4.0
106.04155	3.5
107.04956	30.0
110.53278	2.0
115.05441	9.1
117.06997	4.2
119.04949	3.3
121.06500	5.9
122.03662	11.7
123.04469	11.6
124.05209	4.6
125.06058	2.7
131.04945	26.6
132.05704	5.2
133.02866	2.3
133.06461	3.7
134.03638	7.3
137.05988	100.0
143.04926	6.1
144.05672	4.9
145.06491	5.2
147.04448	6.2
148.05190	7.0
149.05969	5.5
151.03940	9.8
152.04706	5.6
153.05475	4.5
155.04942	6.3
160.05203	5.6
161.05855	3.3
162.03230	3.3
165.05508	4.4
165.07007	3.9
167.07050	68.2
172.05258	3.6
173.06030	5.5
175.03926	2.6
175.07584	8.7
176.04698	4.3
177.05527	10.7
178.07825	11.5
179.07002	2.9
179.08530	2.7
180.07813	2.9
181.04971	20.6
182.07451	2.5
183.04404	3.2
185.05972	4.6
187.07518	8.7
189.05540	3.1
189.07022	7.9
190.07779	4.2
191.07040	35.7
191.08588	7.5
192.07800	10.1
194.05684	2.9
194.07219	3.0
195.06522	28.4
195.08080	3.4
199.07573	2.9
200.04597	2.9
202.07823	11.6
203.06952	10.6
203.08598	8.5
205.06506	15.0
205.08473	3.9
206.07283	15.2
207.08029	6.0
208.08803	3.2
209.08073	6.2
211.07626	3.1
215.07092	16.5
217.06503	6.2
218.07217	9.1
219.08073	18.4
220.08876	6.1
221.06084	5.2
221.09645	5.5
222.06740	5.1
223.07573	3.3
224.08374	2.5
230.07373	2.6
231.08093	18.6
233.05983	9.7
234.06717	17.8
235.07571	9.5
236.08223	3.3
237.09103	8.0
244.05234	4.2
245.06056	6.8
246.06860	6.7
247.07599	20.2
248.08331	16.3
249.09164	18.6
250.06195	7.6
251.07045	11.8
252.07729	2.7
258.06790	5.5
258.64621	2.6
259.07486	17.2
260.08301	3.2
261.05411	7.5
261.09183	5.6
262.06186	11.0
263.07016	14.0
263.10428	2.8
264.07755	9.6
265.08682	12.8
266.09323	3.1
267.09933	2.6
272.04675	4.5
273.05505	4.5
275.06967	10.5
276.07822	18.5
277.08597	24.1
278.05984	4.3
278.09186	5.0
279.06589	9.0
279.10190	19.5
280.07330	3.9
281.08066	3.6
287.07050	19.3
288.07834	4.3
289.05237	2.5
289.08588	5.1
290.05878	3.6
290.09183	5.9
291.06689	5.9
291.10178	22.5
292.07275	5.9
293.08002	11.5
294.08951	5.2
295.06354	3.3
295.09772	3.6
304.07251	13.7
305.08087	49.7
306.08780	6.1
307.06500	4.2
307.09656	22.4
308.10339	3.2
309.07877	3.8
309.11200	12.1
319.09668	39.2
320.10214	6.3
321.07532	5.6
322.08221	8.9
323.09180	4.2
324.09973	4.3
325.10791	2.7
336.09940	6.3
337.10721	91.3
338.11353	3.8
339.08481	3.1
339.12286	27.6
351.12292	38.2
354.11047	3.7
357.13364	18.9
369.13443	22.7
387.14453	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.144
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03945	1.7
55.01874	10.7
59.14288	1.6
65.03956	1.8
67.98394	1.4
69.03425	1.9
70.95304	2.1
70.95641	3.0
79.05473	7.7
80.83003	1.6
87.69820	1.5
91.05483	7.4
95.04993	3.4
103.05445	4.9
104.62051	1.6
107.04964	11.9
115.05486	3.4
117.07015	5.0
119.04973	2.4
122.03644	10.6
123.04419	6.4
124.05197	2.2
127.53061	1.4
131.04930	7.8
132.05710	2.9
134.03644	3.2
135.04401	1.7
137.05984	100.0
143.04942	4.1
144.05685	1.6
145.06494	3.7
147.04402	2.3
147.08110	1.4
149.05908	1.8
151.03889	5.6
152.04721	3.5
153.05435	1.7
155.04906	2.8
160.05151	2.5
161.05928	2.6
163.07545	2.6
165.07024	2.5
167.07043	48.8
167.08453	3.2
172.05219	2.3
173.06006	3.2
175.07532	5.5
176.04785	1.6
177.05444	5.5
177.06976	2.7
178.07739	2.7
179.08531	1.6
181.04962	27.1
187.07539	2.6
189.07022	4.1
190.07780	2.8
191.07025	11.9
191.08577	4.2
192.07864	2.5
195.06566	7.2
202.07793	4.7
203.07062	6.6
203.08742	2.2
205.06465	5.5
205.08458	3.4
206.07294	6.8
207.08176	2.7
215.07022	6.9
217.06419	2.1
218.07300	4.7
219.08084	6.2
220.08847	2.9
221.09744	2.8
222.06763	3.4
230.07230	2.1
231.08124	7.4
233.05997	2.8
233.08119	2.0
234.06760	8.4
235.07527	5.3
235.09720	2.9
237.09109	3.3
245.05833	2.5
246.06856	3.5
247.07539	9.5
248.08382	5.3
249.05547	2.5
249.09140	8.9
250.06253	3.2
251.06950	2.4
259.07620	7.0
260.08096	2.4
261.05432	4.0
261.09058	1.6
262.06274	4.1
263.07104	5.1
263.10529	1.6
264.07755	4.7
265.08563	3.4
273.05353	2.0
275.07004	4.0
276.07813	7.3
277.05524	2.2
277.08618	10.0
279.06644	2.4
279.10162	7.3
281.11554	1.5
287.07056	9.8
289.08539	2.1
290.09442	2.3
291.06952	2.6
291.10049	11.6
292.07382	2.2
293.08084	5.5
294.08749	2.1
304.07339	4.3
305.08072	27.3
306.08768	2.7
307.06317	1.9
307.09583	9.4
308.10056	1.6
309.11093	4.4
314.11499	1.9
319.09604	16.2
321.07642	2.0
321.11252	1.7
322.08353	3.0
325.10751	3.4
336.10068	1.7
336.58636	2.0
337.10696	37.1
338.11319	1.9
339.12292	13.3
351.12271	18.4
357.13351	16.9
369.13370	10.9
387.14423	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	387.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81646	0.5
60.05614	0.5
64.78318	0.5
69.03410	1.6
69.50187	0.5
70.06598	7.2
71.04972	0.6
71.50937	0.8
72.08136	2.3
78.04699	2.6
79.05480	1.4
81.03424	1.1
81.07062	0.9
84.08122	1.4
85.02908	4.2
86.09692	2.1
87.60626	0.4
91.05488	2.3
91.72376	0.5
93.07038	1.0
95.01312	1.6
95.04958	1.7
95.08604	0.9
97.02894	1.4
102.08822	0.5
103.05454	1.2
103.47861	0.5
105.07049	2.6
105.94218	0.6
106.04163	1.7
107.04955	7.9
107.08588	0.8
109.02843	0.7
112.08717	0.7
112.71347	0.5
115.05497	0.7
115.08662	0.5
119.04943	0.9
119.08577	0.8
121.02880	0.8
121.06491	1.7
121.10097	0.8
123.04438	5.8
123.08066	1.1
124.05205	1.5
127.03932	0.6
129.10245	0.9
131.04935	0.8
133.06505	0.9
133.10168	0.6
134.03596	0.7
137.05995	1.9
139.03929	0.6
139.07571	0.6
141.01805	0.9
145.10123	0.8
147.04520	1.1
149.02312	0.5
149.05988	2.1
149.09592	0.7
151.03925	1.4
151.07533	1.9
152.04726	2.4
153.05531	0.5
161.05998	1.4
163.11215	3.6
167.07047	100.0
168.07393	2.0
173.09344	0.5
177.05495	0.9
181.08600	1.7
181.12299	0.7
189.12674	0.6
192.11102	0.7
193.08664	3.4
197.56873	0.5
203.05203	0.9
207.06451	0.7
207.13837	2.8
211.09634	2.8
225.10794	0.7
225.14873	1.6
255.06635	2.1
269.08054	1.0
274.18805	0.7
279.06409	0.7
286.40369	0.5
309.07700	0.9
327.08853	0.7
339.94830	0.5
343.13794	1.4
343.51331	0.5
365.16843	0.6
369.09537	0.8
387.16293	79.0
388.16519	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86069	35.9
54.31688	33.2
58.05544	34.1
65.94367	29.2
71.09885	59.0
71.10221	33.0
95.08600	100.0
123.08122	42.6
125.45828	31.1
149.09547	55.9
163.42853	38.2
183.91568	42.0
192.35072	34.6
194.38504	33.2
233.28691	30.4
311.39655	33.1
325.55054	33.3
391.60260	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01875	7.3
55.05500	9.9
57.03437	7.6
58.12351	4.7
61.02912	6.8
67.05513	9.1
69.03442	36.5
69.07062	9.0
70.06581	12.3
71.04995	10.1
72.08149	18.7
79.05482	6.0
81.03427	13.0
81.07067	11.1
84.08148	12.6
85.02923	47.7
86.09710	37.2
91.05477	9.8
93.07039	14.9
95.04984	8.8
95.08609	71.4
97.02891	16.3
98.21568	8.2
99.04447	7.5
103.05420	5.8
105.07047	34.2
107.04968	8.5
107.08606	11.1
109.02903	9.0
109.10160	10.3
119.08595	55.9
121.10143	23.0
123.04424	6.1
123.08053	16.8
127.03924	11.4
133.06482	10.4
133.10152	29.9
135.11705	69.7
137.05968	21.4
137.09634	11.7
137.13272	10.1
139.29410	4.8
145.04982	7.1
145.06552	5.7
147.08086	5.6
147.11708	42.1
149.09615	43.2
151.03957	5.7
151.07536	11.7
156.09372	5.5
159.08038	6.0
161.06032	7.7
161.13274	100.0
167.07066	54.4
171.11633	5.5
179.06993	5.1
179.14322	11.5
181.05011	8.8
184.10310	5.6
187.07494	5.6
189.12744	93.4
189.14415	5.5
207.13806	81.6
218.31987	4.6
387.14539	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	387.2531
Annotation	Atranone D
Peak:m/z	Relative Intensity
53.03931	3.7
55.01879	8.9
55.05521	17.6
57.03436	2.4
57.07079	2.9
65.03934	2.6
67.05511	29.1
69.03446	9.5
69.07069	12.9
69.18501	11.8
71.04983	3.9
71.44367	1.3
79.05074	2.0
79.05502	27.2
81.03425	18.6
81.07061	29.5
83.04990	6.2
83.08627	8.0
85.02901	4.0
85.06521	2.1
87.04491	1.5
91.05486	33.2
93.06487	1.6
93.07050	27.4
95.01341	3.1
95.04984	10.9
95.08612	22.9
97.02901	8.1
97.06520	4.2
97.10155	3.5
99.04456	2.7
103.05473	2.4
103.70261	1.1
105.07041	36.4
107.04988	5.6
107.08597	15.7
109.02876	2.6
109.06512	3.4
109.10182	10.4
111.04465	6.5
111.08080	1.8
112.71572	1.1
113.05993	1.2
115.05467	4.6
117.07028	22.2
119.04967	2.0
119.08593	19.2
119.52158	1.1
121.06522	6.0
121.10165	9.6
123.04434	8.2
123.08057	2.1
123.11708	2.4
125.09626	1.5
128.06215	6.6
129.07019	21.4
130.07800	1.5
131.04958	3.2
131.08569	26.0
133.06532	8.5
133.10136	15.4
135.04472	1.7
135.08051	5.1
135.11716	6.3
137.05977	3.2
137.09590	2.9
141.07024	8.1
142.07806	6.7
143.08568	20.3
144.05696	1.1
144.09309	1.2
145.06509	8.1
145.10141	21.1
147.08054	10.2
147.11705	9.1
149.05937	3.3
149.09634	3.1
149.13220	3.5
151.07555	2.7
153.07043	3.3
154.07768	3.3
155.08543	13.4
156.09367	3.3
156.75711	1.2
157.06544	5.9
157.10133	16.7
158.07339	2.1
159.08090	6.1
159.11694	15.3
161.05986	4.7
161.09714	5.6
161.13264	4.0
163.07536	2.6
163.11171	1.6
165.07005	2.8
165.09106	1.4
167.08609	5.4
168.09367	1.6
169.06561	1.7
169.10143	10.4
170.10884	1.4
171.08121	7.0
171.11681	13.7
172.08907	1.4
173.09663	6.9
173.13255	9.9
175.07556	5.6
175.11201	4.6
175.14839	2.3
177.09177	2.3
177.12759	2.9
179.08586	2.8
180.09407	1.7
181.08728	1.2
181.10077	6.5
183.08090	4.7
183.11719	10.0
184.08794	1.5
185.09630	7.4
185.13280	12.5
187.07581	2.9
187.11194	6.4
187.14850	4.5
189.09198	2.9
189.12753	2.9
190.35490	1.2
191.10654	2.1
193.10194	2.2
195.11673	5.7
197.09619	4.2
197.13335	7.8
199.11215	5.3
199.14890	5.5
201.09108	2.8
201.12730	4.2
203.10680	3.5
205.08411	1.2
205.12308	2.0
207.11707	2.7
209.13258	4.0
211.11218	3.6
211.14830	3.7
212.12085	1.2
213.12747	7.2
213.16333	2.0
215.14365	2.3
217.12344	2.7
221.13347	2.3
223.14830	2.7
223.16866	1.6
225.12666	2.1
225.16521	2.0
227.14333	4.8
227.18042	2.1
231.13698	1.3
239.14389	2.6
239.17941	1.9
241.15826	2.3
243.13835	2.2
253.15839	1.5
255.83008	1.0
257.15408	2.5
259.20706	1.3
271.17007	1.5
271.20581	1.3
275.20108	2.0
277.21710	4.0
283.20523	3.0
285.18695	1.4
285.22144	2.0
289.21655	3.2
297.22189	2.8
299.16400	1.6
299.19894	2.0
299.23340	1.4
301.21701	1.7
309.22235	1.7
313.18115	1.4
313.21613	3.5
315.23196	3.2
323.23755	3.3
325.21918	2.2
327.23090	7.7
333.22186	2.1
341.24704	10.8
343.22598	2.7
345.24445	1.6
351.23212	14.2
357.24170	1.2
359.25806	3.7
369.24268	72.6
370.24548	2.3
376.88614	1.2
387.25323	100.0
388.25702	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.9
57.72368	0.7
59.44660	0.6
60.05658	7.2
62.06052	1.1
68.05045	1.0
69.03423	2.2
70.06599	67.9
71.05007	5.2
71.50756	0.8
72.08163	8.1
78.04707	2.3
79.05498	1.4
81.03418	1.3
81.07056	1.3
84.08160	3.0
85.02901	3.4
86.09702	7.7
86.53452	0.7
88.07645	2.5
91.05482	2.2
93.07094	0.8
95.01325	1.2
95.06082	0.9
97.02871	0.9
98.06059	1.5
98.97609	1.1
101.68839	0.8
105.07039	2.0
106.04185	1.4
107.04974	4.1
112.08749	16.5
115.08692	2.5
119.04935	1.3
121.06516	1.6
123.04430	6.6
124.05218	2.2
125.05972	0.9
127.08690	1.4
129.10275	0.8
131.04903	0.8
133.06543	1.1
137.05971	2.8
140.08205	2.4
147.04437	1.1
149.05992	1.6
151.03955	1.9
151.07570	1.0
152.04730	1.7
155.08167	1.2
157.10847	3.0
158.09314	0.8
161.05995	1.6
163.11206	1.8
167.07059	100.0
168.07422	1.6
168.14961	1.1
169.13315	4.0
175.11917	3.5
181.08589	2.2
181.12210	0.9
183.14992	1.8
193.08644	4.3
196.14505	1.8
207.06464	1.4
207.13840	2.3
211.09662	3.1
211.15570	9.2
225.15076	1.1
225.17154	3.2
228.18199	1.5
231.17157	1.2
256.17804	1.9
257.16217	2.6
269.08301	1.1
271.17609	1.3
274.18826	5.2
349.02390	0.8
370.24490	4.1
387.16608	8.8
387.27176	63.3
388.27197	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	387.3261
Annotation	11Z,14Z,17Z,20Z,23Z-hexacosapentaenoic acid
Peak:m/z	Relative Intensity
51.41782	7.8
53.03949	9.5
55.01873	17.1
55.05504	33.5
55.17096	7.9
57.07064	15.8
63.01738	7.6
67.05499	40.1
69.07068	33.1
79.05488	38.9
81.07067	100.0
83.08631	25.5
85.06556	11.9
91.05483	19.6
93.07059	57.9
95.05011	11.8
95.08622	80.9
97.06518	11.3
97.10191	12.7
105.07036	44.7
107.04945	35.1
107.08605	63.0
109.10163	53.1
111.08080	25.9
119.08601	54.2
121.10159	56.2
123.11695	31.2
127.07581	18.8
131.08568	20.8
133.10147	27.5
135.11696	33.4
137.05965	12.3
137.13326	10.8
139.11172	9.9
145.10146	31.6
147.11702	46.3
149.13266	39.6
157.10133	10.2
159.11699	25.4
161.13249	24.1
163.14790	18.3
164.27338	8.3
173.13254	11.0
177.16478	12.4
187.14873	11.7
189.16396	22.8
191.18066	13.4
192.71707	8.4
199.14796	13.3
201.16414	12.7
203.17972	17.4
215.14275	9.9
217.19466	13.0
338.45950	8.9
369.31546	53.6
387.25424	13.8
387.32825	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79043	0.9
51.64321	0.8
53.03935	3.7
55.01850	1.2
57.03441	8.3
59.01344	1.2
60.04565	0.8
62.36954	0.8
65.03938	1.8
68.99775	2.2
69.03431	13.6
70.25902	3.3
71.04983	2.2
73.02921	1.5
81.03417	13.0
85.02433	1.6
85.02903	17.8
87.00812	3.0
91.05484	69.1
92.05834	0.9
97.02298	1.4
97.02886	18.0
99.04459	5.1
101.02380	62.2
105.07018	1.4
105.76572	1.0
108.04452	1.6
109.02880	17.2
119.03418	100.0
120.03743	1.0
127.03920	25.3
130.69960	0.9
131.03400	4.0
137.05984	9.8
138.06361	5.2
145.04951	10.2
145.06401	1.9
151.03909	1.4
152.04242	1.2
157.06467	1.2
161.04517	1.6
167.07018	1.3
168.07368	1.3
173.04491	8.6
181.04918	1.8
182.05254	2.1
192.07367	1.4
203.05478	1.5
217.08614	0.9
227.05537	2.5
228.87108	0.9
244.08281	1.2
245.04338	1.1
245.06586	10.1
263.07617	3.3
358.13611	2.5
370.13672	1.1
387.39621	1.0
388.14624	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.4
55.01871	8.5
57.03422	6.0
61.02924	6.3
68.99789	3.1
69.03432	34.7
70.06582	3.3
71.04984	4.9
71.51144	1.4
73.02900	5.3
81.03417	22.9
85.02906	100.0
86.09663	2.3
86.85020	1.5
87.00831	41.8
87.57420	1.3
91.05498	1.6
97.02897	31.1
99.04449	13.0
101.02344	2.1
103.05453	2.8
105.01867	59.4
105.07052	13.8
108.04467	3.3
108.08148	2.2
109.02881	26.1
117.01825	2.2
117.91737	1.4
120.08088	2.2
122.09662	10.7
127.03921	69.3
129.01865	3.4
131.04900	3.1
136.11270	1.6
137.06001	5.3
138.06335	2.1
145.04965	36.3
147.02911	2.2
150.09142	1.6
159.02888	17.5
163.07587	1.6
189.03963	4.5
198.14928	4.2
213.03926	2.4
226.14395	13.7
231.04994	21.3
248.07692	2.2
249.06129	6.9
285.73309	1.5
388.14816	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	388.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89552	0.5
53.03944	1.9
57.03428	0.7
69.03431	3.2
69.85487	1.9
69.85902	0.8
70.06596	1.4
71.05000	0.6
73.02903	0.7
79.05490	4.7
81.03421	1.8
84.08141	1.0
85.02907	8.5
86.09673	0.7
87.00829	3.7
91.05426	0.6
95.04971	0.7
97.02894	6.9
98.90316	0.5
99.04456	1.3
102.21354	0.7
103.05483	4.1
105.01875	9.1
105.07034	100.0
106.07354	1.4
109.02890	1.9
122.09688	0.9
127.03922	8.3
131.04939	1.5
137.06021	3.7
138.06332	2.4
145.04962	6.8
151.03850	0.6
159.02905	1.3
167.07043	0.8
210.48622	0.6
231.05061	3.7
249.06047	1.8
388.14670	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	388.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.4
56.05027	3.1
60.04502	1.0
61.02890	1.1
62.63943	1.0
66.86989	0.8
69.03410	0.8
69.48100	6.7
70.06596	6.4
72.08147	8.3
75.00794	0.9
80.42573	0.9
80.78635	0.9
81.03403	1.4
83.06110	5.3
84.04507	45.7
84.08145	13.0
84.26466	1.0
85.02893	3.9
86.09707	100.0
88.03970	1.0
91.05467	1.2
97.02879	1.4
98.21597	1.1
98.97648	0.9
101.07140	10.2
102.05543	1.8
107.04964	2.0
112.08725	1.4
113.07139	1.0
127.03882	1.3
128.08197	3.1
129.06613	7.3
129.10237	7.0
130.05005	52.3
132.10222	3.0
133.06062	1.3
137.05968	7.0
140.07074	1.0
140.98648	0.9
143.11783	4.0
146.09250	1.5
147.04408	1.7
147.07648	70.5
158.97401	1.1
166.66551	0.9
167.07016	3.4
168.07385	4.5
171.11281	1.0
195.07726	1.0
195.12364	1.4
197.12860	2.9
200.10507	1.1
212.10327	2.4
214.15576	1.4
234.98987	1.5
239.11563	1.3
240.09772	4.4
242.14977	6.8
243.13324	3.0
260.16064	12.8
311.69571	1.0
317.18304	1.7
340.41879	1.0
359.27914	0.8
370.20816	4.2
370.39337	0.9
388.16461	1.1
388.22052	4.3
389.24704	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01865	0.6
55.64888	0.3
57.03448	1.5
68.99789	0.8
69.03434	2.5
69.07092	0.3
70.06595	0.8
71.04981	0.5
71.50761	0.3
72.08173	0.3
73.02919	0.4
81.03425	3.7
84.08124	0.5
85.02914	2.8
86.09705	2.5
87.00845	0.2
89.67476	0.2
97.02896	3.5
99.04462	0.7
101.02385	5.1
103.05508	0.4
109.02880	4.6
110.30915	0.2
119.03435	5.4
120.08149	0.3
127.03925	100.0
128.04276	1.1
129.10269	0.3
131.03404	1.5
131.04924	0.4
137.05962	0.4
145.05008	1.4
151.03975	0.3
157.16948	0.2
165.83858	0.2
167.07092	0.4
173.04483	2.4
173.12953	0.3
340.98654	0.3
341.09967	0.3
389.13620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91569	3.0
69.73339	18.2
70.06587	6.3
70.87125	3.3
81.07056	5.1
84.04488	3.7
84.08136	4.4
85.02879	5.2
86.09693	9.6
91.05495	3.3
93.03129	3.2
96.16509	3.2
98.20718	3.3
98.97594	5.3
103.05503	4.1
127.03886	2.9
127.29712	3.1
162.02078	3.6
162.05946	3.5
167.07031	14.2
168.07414	5.3
169.07571	6.4
269.10486	9.2
389.17041	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.7
60.04540	1.4
69.03432	2.1
69.07068	2.7
70.06591	10.7
71.50941	1.8
72.08150	3.4
77.03931	1.3
84.04513	2.9
84.08146	4.0
85.02921	2.3
86.09710	38.5
87.05592	1.4
89.06052	9.6
91.05467	2.0
95.04955	1.3
103.05477	52.8
107.04997	3.1
109.10197	1.3
110.07181	2.4
120.08110	2.7
125.09677	1.2
129.10292	1.9
131.04938	100.0
132.10159	1.4
133.08633	4.8
134.08948	2.6
135.08118	1.8
137.06009	2.0
143.11777	2.2
147.04425	2.3
151.03818	1.4
153.09192	1.5
155.11795	1.5
161.05952	1.5
163.07561	51.3
167.07016	4.0
173.12892	6.1
175.07616	1.7
177.05453	2.1
177.42104	1.3
188.71678	1.3
189.12326	5.3
189.90991	1.3
201.12349	2.8
209.08192	1.7
252.83795	1.3
315.31668	1.4
372.23047	3.1
389.15820	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20015	3.0
55.01869	29.7
65.03925	9.7
66.70374	2.8
67.05503	4.3
68.85493	3.2
70.06593	3.2
71.51445	4.0
79.05490	9.2
81.03445	3.9
82.04202	3.3
85.02891	3.7
91.05489	7.8
95.04967	9.7
103.05459	20.5
107.04985	14.1
110.03627	5.3
115.05509	3.5
121.06494	3.4
122.03630	12.1
122.09668	4.2
123.04426	12.9
125.05946	3.4
129.06990	20.8
131.04945	27.7
131.08566	11.4
135.93253	2.8
136.27179	3.0
137.05984	54.7
140.04736	4.3
141.07025	10.4
142.02628	4.7
145.06490	3.8
149.05991	10.1
153.05498	6.6
155.07010	3.0
157.06490	18.5
158.07278	5.6
159.08043	15.2
160.05252	7.9
161.06009	6.6
163.07578	12.0
167.07036	26.4
169.06485	8.4
171.06493	7.6
173.05901	3.0
173.29417	3.6
174.06784	24.6
175.07608	15.7
177.05502	32.5
181.04958	81.3
181.06523	5.7
183.06575	23.2
184.05261	3.8
186.06812	6.2
187.07498	7.9
188.08226	6.2
189.07271	5.4
189.09131	57.0
191.08583	3.6
201.09023	19.2
205.06587	4.2
205.08437	4.0
209.08086	49.7
210.70110	3.0
215.08649	3.1
217.06534	6.5
217.08534	6.3
218.07303	9.2
219.08144	8.2
219.10147	100.0
221.07979	5.8
227.14764	6.6
233.09668	5.4
234.06750	12.1
235.07542	5.5
247.07520	7.7
248.08234	5.2
249.09102	12.9
250.09612	3.2
251.07149	4.5
255.11215	3.8
261.09207	13.2
263.07123	4.5
265.08615	4.9
277.08621	36.6
278.09348	6.7
279.10052	6.6
281.11761	4.8
289.08542	3.6
291.10315	6.2
293.08353	5.3
293.11804	6.1
295.09698	4.4
307.09561	5.6
309.11166	11.6
311.13065	4.9
321.11200	9.7
329.11404	7.3
339.12292	34.0
341.13803	5.0
357.10336	5.3
371.15005	34.9
389.16135	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	389.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
56.79734	1.2
59.00615	1.2
60.04536	2.6
67.05484	1.3
69.07080	2.9
69.23846	2.6
69.24236	11.9
70.06598	12.4
72.08154	2.3
74.06098	1.6
74.78198	1.3
79.05508	1.6
81.07056	1.4
84.04511	2.2
84.08157	7.3
85.02909	1.9
86.09223	2.6
86.09715	32.3
86.10242	1.8
87.51249	1.2
89.06038	12.6
90.06366	2.6
95.04967	2.7
98.20792	2.1
102.32172	1.2
103.05479	62.4
107.04969	3.0
107.08618	1.9
119.08576	1.6
120.08121	1.7
125.09682	1.7
129.10243	2.9
129.56363	1.3
131.04941	100.0
131.32188	1.3
133.08636	4.8
134.08931	3.7
137.05942	1.5
142.06921	1.4
143.11836	2.4
156.10283	1.2
161.06029	2.4
163.07558	47.3
166.05940	1.1
167.07022	3.8
173.12871	5.3
177.05463	2.5
181.05016	2.3
187.07516	1.4
189.12361	4.1
199.77515	1.2
201.12396	3.7
209.15369	2.8
245.09599	1.9
257.04333	1.5
276.15842	1.3
372.23059	2.3
389.16422	2.9
409.25797	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1598
Annotation	4'-Demethyltraxillagenin
Peak:m/z	Relative Intensity
53.03948	2.6
55.01877	32.9
55.05510	1.5
57.03444	1.4
60.19588	1.3
65.03947	9.9
67.05499	4.1
69.03428	4.1
71.50689	2.0
77.03941	1.6
79.05491	7.4
81.03429	1.6
81.07060	4.1
82.04204	3.7
85.02899	8.4
91.05462	6.1
93.03410	2.2
93.07044	3.8
95.04974	5.8
95.08588	1.2
97.06536	3.6
97.38102	1.2
97.80055	1.2
103.05478	17.4
105.04474	1.3
105.07036	4.8
107.04958	13.1
107.08591	1.8
108.02119	1.8
109.06511	1.5
110.03680	5.2
111.04467	1.5
115.05476	2.5
117.07027	2.2
119.04923	2.3
121.06514	5.0
121.10188	1.5
122.03653	4.4
123.04436	6.0
124.05268	1.4
125.05974	3.1
128.06232	2.0
129.07033	11.4
131.04933	22.2
131.08556	2.2
133.06480	1.9
133.10095	1.8
137.05983	38.4
138.03120	4.1
138.06302	1.6
139.03929	1.8
140.04660	1.4
142.02670	3.8
144.05640	1.5
145.06483	4.6
147.04428	2.1
147.11716	2.0
149.06020	8.6
151.03893	1.7
153.05486	5.5
157.06534	8.1
159.04575	1.3
160.05223	3.6
161.06015	3.5
163.07553	11.8
167.07059	37.3
171.06563	5.1
171.07892	1.3
173.05867	1.8
174.06841	3.3
175.07573	14.3
177.05484	40.1
177.09132	1.8
179.07112	1.9
179.22816	1.5
181.04965	100.0
183.06564	2.4
185.06055	1.8
187.07472	1.4
189.09129	11.1
191.07013	2.1
199.07614	2.1
202.83952	1.2
205.06705	1.7
205.08641	2.7
207.06302	1.4
208.09052	1.3
209.08104	59.4
211.28238	1.2
217.08614	8.1
218.07353	2.4
219.08011	2.1
219.10127	2.8
221.09898	1.3
227.18268	1.3
230.13913	1.5
235.09645	2.9
247.07632	1.6
249.09192	4.6
254.95425	1.4
261.09140	3.6
276.07840	1.7
277.08649	5.5
278.09418	2.0
279.10065	2.2
281.11835	2.1
293.11731	1.6
309.11252	4.2
321.11340	3.7
321.82935	1.6
339.12396	9.2
341.13873	3.5
346.33450	1.4
359.14771	2.4
371.14981	8.7
389.16061	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	389.1599
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03936	2.2
55.01878	36.8
61.02868	0.9
64.64399	0.9
65.03652	1.1
65.03944	11.6
67.05524	4.7
67.05805	1.0
69.03423	2.8
69.88233	4.2
79.05496	5.2
81.03422	1.8
81.07034	1.6
82.04190	2.8
85.02920	6.4
91.05489	3.5
93.03398	3.7
93.07057	3.1
94.04183	1.3
95.04987	7.2
97.06523	2.7
98.20887	2.0
98.21493	2.1
103.05479	20.0
105.07054	2.8
106.04108	1.2
107.04960	10.1
107.14703	1.0
108.02088	2.5
109.06548	0.9
109.10152	1.2
110.03664	5.2
111.04433	2.5
115.05466	2.6
117.07012	3.1
119.04926	1.2
121.02853	1.2
121.06535	5.1
122.03627	4.4
123.04431	5.2
124.05192	2.1
125.06026	2.9
128.06229	2.4
129.07011	9.6
131.04037	1.9
131.04939	22.2
131.08626	1.4
133.06519	1.4
135.04449	1.3
137.05994	38.4
138.03130	1.8
140.04666	1.2
141.06949	1.4
142.02609	3.4
143.04849	1.1
144.05701	1.1
145.06458	4.8
147.04370	1.0
149.06010	11.3
151.03934	1.7
151.07600	1.2
153.05470	5.5
155.07069	2.6
157.06555	8.4
158.07191	1.1
159.04419	2.0
160.05197	3.9
161.06010	2.8
163.03859	1.9
163.07542	8.4
165.05597	1.1
167.07059	24.3
171.06577	5.4
173.05997	1.4
174.06743	4.6
175.07584	14.8
177.05490	39.6
177.09146	1.2
181.04970	100.0
182.05324	1.9
183.06537	3.6
185.06015	1.2
187.07573	3.0
189.09146	9.2
189.57458	1.0
191.07051	1.9
191.08624	1.3
200.23070	1.1
205.08594	2.9
209.08113	57.0
213.92717	0.9
217.06656	1.3
217.08617	6.7
218.07245	1.2
219.08208	1.8
219.10170	3.4
221.07991	1.4
235.07489	1.2
235.09639	2.4
249.09102	3.6
251.06888	1.0
261.09100	2.6
262.06403	1.2
263.07019	1.5
277.08710	7.8
278.09433	1.0
279.10089	1.9
293.11630	2.2
305.27225	1.0
307.09686	2.0
309.11230	3.8
311.12567	1.3
321.11084	2.0
329.14236	1.3
339.12250	9.9
340.13226	1.0
341.13837	3.5
353.13834	1.7
358.13510	1.1
359.14862	2.1
366.33649	1.0
371.14844	10.9
389.15948	38.1
390.16119	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
62.31114	0.3
69.07079	0.5
69.19220	0.4
70.06589	1.7
70.42725	1.2
72.08157	6.2
74.06081	0.7
82.92135	0.4
84.04518	0.8
84.08139	1.5
85.02936	0.3
86.09712	6.5
91.05467	0.4
101.07149	0.5
103.05459	0.4
107.04987	0.8
111.90179	0.3
122.03805	0.4
128.10658	0.4
129.10252	1.2
131.04955	0.9
133.06509	0.4
142.12320	0.5
161.05984	0.8
163.07506	0.6
165.27303	0.4
167.07068	3.1
168.07391	1.0
169.07558	0.8
173.12924	0.5
175.10817	1.1
178.86873	0.4
187.14459	3.6
189.12396	0.8
193.08542	0.7
201.12334	0.8
203.05278	1.0
209.11487	4.0
215.13963	1.6
227.12547	5.4
389.17859	100.0
390.18286	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
54.85408	5.7
55.01877	30.1
60.04533	8.4
65.03921	7.1
67.05524	8.4
69.03445	13.7
69.07087	14.9
70.06595	40.6
70.48766	16.6
72.08160	15.7
73.53845	6.2
79.05477	9.9
81.07085	7.2
83.04964	6.4
84.04491	8.5
84.08125	16.1
85.02912	12.3
86.09717	78.8
91.05490	11.9
93.07047	9.7
103.05473	66.5
105.07043	8.1
107.04958	7.9
107.08602	19.7
110.07157	8.9
111.08121	6.3
120.08090	8.0
121.06512	10.5
125.09624	33.0
129.06969	6.8
129.10234	11.8
131.04938	100.0
133.10077	6.6
137.05994	29.2
142.06868	14.8
145.06448	9.1
149.06007	14.3
149.09647	41.1
153.09172	8.5
157.06476	9.1
163.07520	49.4
167.07069	27.6
173.12901	17.9
175.07527	15.6
176.37601	6.7
177.05446	31.9
181.04999	90.8
191.14323	19.0
201.12280	8.1
208.05357	6.6
209.08095	50.7
209.15343	52.2
230.36243	6.4
244.11922	18.1
245.09608	15.7
297.08691	8.9
389.16077	52.5
397.96039	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	389.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	18.3
54.26481	12.0
55.01874	37.1
55.05506	14.5
57.03434	32.9
58.96489	13.7
67.05510	24.9
69.03428	49.9
69.07064	23.6
70.06592	31.6
71.04990	21.0
71.51483	19.5
73.02930	15.9
79.05485	28.3
81.03426	39.9
81.07052	43.3
84.08157	25.0
85.02912	89.9
86.09702	69.1
89.84010	13.4
91.05482	22.1
93.07050	32.9
95.01359	24.3
95.04969	61.0
97.02895	36.2
97.06549	33.6
99.04456	42.0
103.05469	79.7
105.07040	35.8
107.04962	17.8
107.08598	21.7
109.06522	47.8
109.10160	25.7
121.10119	44.4
123.04446	19.4
125.05936	17.0
129.07025	16.7
131.04906	91.0
131.08582	23.8
133.02879	18.4
133.06482	22.2
133.10146	52.6
137.05971	61.1
138.30667	16.3
141.01863	17.5
145.10156	14.3
147.11707	52.5
149.05984	27.6
151.03903	19.7
153.09137	27.2
163.07593	56.4
167.07045	47.9
170.70636	15.0
173.13272	59.0
177.05492	19.8
181.05020	100.0
191.14346	55.0
193.04987	16.3
203.23717	14.7
205.09898	17.8
209.08159	49.0
209.15385	76.7
227.01915	34.4
227.16443	67.7
228.10204	24.5
255.11447	20.1
279.03403	15.9
283.10806	22.7
311.10080	21.2
329.11215	48.5
357.10617	38.1
389.13495	18.7
389.21259	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	389.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
54.85408	5.7
55.01877	30.1
60.04533	8.4
65.03921	7.1
67.05524	8.4
69.03445	13.7
69.07087	14.9
70.06595	40.6
70.48766	16.6
72.08160	15.7
73.53845	6.2
79.05477	9.9
81.07085	7.2
83.04964	6.4
84.04491	8.5
84.08125	16.1
85.02912	12.3
86.09717	78.8
91.05490	11.9
93.07047	9.7
103.05473	66.5
105.07043	8.1
107.04958	7.9
107.08602	19.7
110.07157	8.9
111.08121	6.3
120.08090	8.0
121.06512	10.5
125.09624	33.0
129.06969	6.8
129.10234	11.8
131.04938	100.0
133.10077	6.6
137.05994	29.2
142.06868	14.8
145.06448	9.1
149.06007	14.3
149.09647	41.1
153.09172	8.5
157.06476	9.1
163.07520	49.4
167.07069	27.6
173.12901	17.9
175.07527	15.6
176.37601	6.7
177.05446	31.9
181.04999	90.8
191.14323	19.0
201.12280	8.1
208.05357	6.6
209.08095	50.7
209.15343	52.2
230.36243	6.4
244.11922	18.1
245.09608	15.7
297.08691	8.9
389.16077	52.5
397.96039	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	389.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.3
57.05826	0.5
58.06585	0.4
69.03399	0.3
69.06681	0.4
69.07069	8.8
71.20831	0.6
72.08149	0.5
75.05608	2.3
75.27238	0.4
76.41390	0.3
81.03417	0.3
81.07063	0.5
84.04537	0.4
84.08145	0.4
85.02906	0.5
86.09709	100.0
87.10041	0.9
95.04973	1.1
98.97591	0.4
106.05038	0.7
109.10144	0.4
110.88660	0.4
116.01693	0.5
119.03483	0.5
127.03905	2.1
133.10201	1.0
143.11798	12.1
153.09070	0.5
171.11295	10.9
171.12758	0.7
173.13208	0.4
191.14366	0.5
201.12440	0.7
209.15410	1.1
211.05762	0.4
214.04950	0.5
218.99368	0.4
219.13411	6.5
227.09250	0.4
227.12556	0.9
239.17560	1.9
256.20123	0.5
258.14648	1.2
276.15506	1.7
284.19687	3.3
291.06430	0.4
363.27719	0.4
371.23431	0.5
389.17999	36.1
390.18179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2688
Annotation	7alpha-Hydroxy-3-oxochol-4-en-24-oic acid
Peak:m/z	Relative Intensity
53.03942	5.0
55.01881	8.3
55.05518	22.4
57.03436	3.3
57.07082	6.2
57.32471	1.3
64.97225	1.3
65.03936	2.1
65.55376	1.3
65.56311	1.4
67.05505	40.0
69.03433	7.9
69.07070	19.8
69.30473	3.3
69.30888	7.6
71.04984	2.8
71.08630	5.4
76.69270	1.1
79.05496	28.0
81.03416	23.0
81.07058	35.9
83.04984	5.9
83.08633	9.4
85.02905	5.1
85.06525	3.0
85.21381	1.5
87.04497	1.6
91.05485	37.9
93.06481	2.3
93.07050	35.2
95.01341	3.8
95.04967	11.0
95.08607	29.6
95.09176	2.2
97.02892	8.9
97.06522	3.1
97.10179	6.5
98.20821	3.2
99.04465	3.7
99.08092	2.8
102.88708	1.3
103.05491	2.3
105.04474	1.5
105.07033	38.9
107.04952	7.5
107.08600	16.0
108.23950	1.1
109.02893	3.5
109.06525	4.8
109.10146	10.6
111.04469	6.0
111.08064	3.2
113.06007	1.9
115.05450	5.0
117.07028	21.1
119.04964	2.0
119.08575	27.4
121.06506	11.3
121.10162	13.6
123.04438	4.5
123.08100	2.9
123.11705	4.8
125.09641	2.3
128.06224	4.1
129.07019	16.2
131.04924	4.0
131.08575	33.0
133.06468	8.1
133.10126	13.4
135.04428	1.7
135.08022	6.3
135.11711	7.3
137.06010	2.7
137.09589	2.7
137.13219	1.3
141.06993	5.3
143.08566	17.1
144.09329	2.1
145.06474	11.1
145.10117	21.1
147.08057	7.1
147.11684	8.1
149.06003	4.3
149.09595	3.9
149.13261	3.9
151.07655	1.5
155.08583	6.0
157.06516	4.5
157.10120	7.9
159.08057	7.6
159.11703	10.1
161.06035	2.3
161.09608	4.1
161.13263	12.0
163.07549	4.1
163.11179	2.7
165.12753	1.4
166.07869	1.7
167.08615	2.4
169.10120	5.2
171.08044	5.9
171.11694	5.9
171.93079	1.2
173.09665	4.7
173.13297	8.7
174.61192	1.6
175.07579	3.1
175.11217	2.3
175.14853	4.3
177.12769	3.3
177.16379	1.8
179.14369	1.5
181.10144	2.8
183.11726	3.7
185.09676	5.3
185.13246	5.6
187.11234	3.5
187.14920	6.6
189.09181	2.4
189.12756	2.2
189.16432	3.1
190.16859	1.4
191.14307	2.7
197.13216	3.4
199.11241	2.0
199.14848	5.7
201.12753	3.3
201.16370	5.8
203.10663	2.4
203.14301	4.7
205.12325	1.5
205.15878	1.7
207.13739	2.2
209.13315	2.4
211.14890	3.9
213.12804	2.5
213.16393	2.3
215.14352	4.4
215.18030	2.2
217.15942	2.0
219.13896	1.3
219.17418	2.2
223.15010	1.5
225.16431	3.1
227.14427	2.6
227.17870	1.8
229.15935	4.5
231.17560	2.1
233.15439	2.9
241.15906	4.9
243.17506	1.7
245.15456	3.6
247.16974	1.5
255.17395	2.7
259.17004	4.0
273.18539	4.3
273.22052	2.6
279.23184	2.5
285.22177	3.7
287.19995	1.7
287.23581	1.6
289.18253	2.0
289.21725	1.9
291.23196	2.7
299.23801	4.2
301.18057	2.9
301.21494	1.9
303.23068	3.6
305.24823	1.9
311.23788	2.4
315.23230	4.6
315.26883	1.8
317.24860	2.6
325.25317	6.1
329.24701	9.4
333.24341	1.6
335.23752	2.9
343.26367	15.0
345.24255	3.1
353.24805	19.1
359.26004	1.8
361.27444	3.4
371.25803	62.0
372.26257	2.7
389.26892	100.0
390.27267	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	389.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.3
56.54359	0.7
57.07075	7.4
65.03937	0.7
67.05494	2.3
69.07072	12.9
71.08640	8.2
71.52282	0.8
76.55450	0.7
79.05503	1.3
81.07050	3.1
83.08613	1.0
85.06506	1.0
91.05499	0.7
93.07039	1.9
95.08601	3.0
97.10170	1.0
105.07070	1.1
107.08624	1.5
109.10189	2.1
111.11710	1.9
119.08577	0.7
121.02888	3.7
121.03899	0.8
123.11684	1.4
133.10205	1.2
147.11635	0.8
149.02353	100.0
149.13260	1.3
161.13306	0.7
167.03426	10.3
198.51537	0.7
202.03334	0.6
244.03960	0.7
259.13519	0.7
272.98331	0.6
351.24170	0.7
375.94235	0.7
389.27097	0.6
389.31454	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	390.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
61.02922	2.3
69.03425	4.6
69.16240	17.2
70.06598	4.1
71.05000	2.1
72.08177	1.9
72.24126	1.6
74.56437	1.4
81.03423	1.9
84.08153	3.5
85.02906	11.9
86.09694	5.5
91.05488	43.7
91.06026	3.2
93.51853	1.4
96.90056	1.5
97.02895	4.6
98.20723	3.1
103.05462	3.1
105.07058	3.5
109.02876	1.7
109.87206	1.8
110.07201	1.9
119.08566	7.5
121.06510	9.5
121.07271	1.5
123.30412	1.7
127.03942	7.8
128.04323	2.0
129.07002	44.7
129.10321	1.4
131.08580	32.9
132.08940	1.6
134.22449	1.6
137.05956	1.7
145.05009	1.7
147.08058	100.0
148.08395	2.2
164.27832	1.7
165.09128	49.5
165.92213	1.4
175.07567	15.1
184.74174	1.5
186.53111	1.3
211.09700	11.4
228.12299	2.2
294.09515	2.3
298.09006	3.0
306.40369	1.7
321.44696	1.7
340.09863	1.9
361.04144	1.6
372.13049	1.9
390.13718	5.2
390.22458	2.1
391.08124	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46016	2.8
53.60376	2.4
55.01867	3.5
55.05508	4.0
56.05045	4.5
61.02905	3.5
67.24312	2.4
69.03419	4.7
70.06599	16.1
71.50877	3.5
72.08157	14.7
79.05499	5.7
84.04481	4.9
84.08134	13.8
85.02927	14.0
86.06098	2.5
86.09715	15.0
87.10056	3.9
91.05482	8.4
96.23142	2.7
97.02885	2.9
103.05468	8.1
105.07038	55.2
107.04935	9.8
110.07143	3.7
115.05433	10.7
116.07076	2.9
118.04145	3.7
119.04951	6.6
121.06552	3.7
121.19398	2.7
124.07607	8.4
125.56119	2.4
129.10246	5.0
131.04944	5.1
133.06516	52.7
137.06015	3.9
143.06073	8.3
145.04919	3.0
147.04474	3.4
149.05923	6.5
161.04642	5.2
161.05991	100.0
165.09178	4.9
173.12872	4.9
179.07011	3.5
193.08621	62.8
197.08089	4.1
211.09596	13.7
216.14056	2.8
267.99701	2.7
363.08948	3.8
390.18234	73.8
391.08044	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	390.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	3.8
57.03439	1.3
58.06607	0.9
69.07079	8.0
70.06606	6.3
71.50517	1.4
72.08159	3.5
74.06088	11.5
75.05581	1.1
81.03376	1.1
81.77309	0.9
81.90327	0.8
84.04501	4.1
84.08144	6.8
85.02913	2.8
86.09713	100.0
86.47063	1.1
87.80423	0.8
93.60148	0.9
102.05574	1.4
105.07050	1.0
107.04992	2.2
110.07169	2.2
116.07114	2.0
120.08083	1.4
126.05525	3.4
129.06618	1.2
129.10274	3.9
130.06560	1.4
137.06071	0.7
144.06575	1.1
165.09114	2.3
167.06964	1.4
169.06047	1.2
183.13487	0.9
192.10312	1.0
193.08649	1.9
195.11333	1.3
211.09891	0.9
239.13895	6.4
247.12917	10.6
390.18082	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	390.1877
Annotation	Glu Glu Ile
Peak:m/z	Relative Intensity
56.05037	6.4
67.05525	1.1
69.03427	1.2
69.07069	2.4
69.61658	3.1
69.62070	3.7
70.06599	5.2
71.51579	1.2
72.08138	2.9
74.06090	3.6
84.04510	100.0
84.08156	6.4
84.09712	1.1
85.02920	5.3
86.02649	1.2
86.09711	81.2
89.11462	1.3
95.83398	1.0
101.07170	1.4
102.05547	39.2
107.04954	8.4
108.80678	1.0
110.07148	1.6
111.53940	1.1
121.06509	1.1
122.06059	3.6
124.07599	2.1
129.06601	8.8
129.10226	1.7
130.04993	2.5
132.10214	54.8
133.06554	1.2
137.05975	5.1
149.05969	2.3
151.07541	1.2
158.60664	1.0
161.05994	1.3
167.06905	1.6
167.08186	11.7
168.06628	4.2
187.45328	1.3
193.05000	1.3
193.08656	1.5
195.07632	11.2
195.09082	1.2
197.12888	6.0
197.93311	1.3
213.08763	12.7
231.09782	11.9
241.08217	18.5
243.13438	8.8
247.13002	1.3
259.09216	6.3
273.11304	1.3
312.33835	1.0
354.16431	1.8
372.17300	1.6
390.18228	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	391.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08817	1.2
56.96570	71.8
57.03440	2.5
61.02921	4.0
69.03431	4.3
69.45786	9.4
70.06591	2.9
70.97733	2.5
70.98124	35.9
71.95263	8.6
72.08173	3.0
72.96033	4.3
73.02914	1.6
74.97601	1.4
84.08139	4.0
84.96045	9.7
85.02915	5.0
86.09706	1.6
88.99160	11.3
91.17787	1.4
97.02898	5.2
97.08528	1.3
98.28464	1.4
98.97592	100.0
101.00886	4.9
106.94663	1.3
107.00160	1.6
109.35749	1.2
110.97582	11.4
112.99117	1.9
113.00889	2.5
113.49458	1.2
115.00613	1.4
115.02489	2.0
116.98628	24.1
119.01926	3.7
124.95486	30.9
126.97045	3.1
127.00690	2.0
127.03928	3.6
128.98601	17.4
129.10201	2.8
131.01923	3.0
134.99658	4.9
140.98615	10.3
142.96535	22.6
143.00203	2.9
143.01913	4.9
144.98112	4.4
145.03452	1.9
146.99667	14.4
152.94971	5.6
153.05797	3.8
154.96524	14.0
155.00067	2.2
155.01868	2.6
156.98132	12.9
157.03459	3.0
158.99678	9.1
160.97580	5.2
161.02971	2.8
162.99127	1.3
163.99825	1.3
165.00726	5.2
168.98119	2.2
168.99710	1.6
170.96031	28.3
170.99684	3.9
171.01503	2.1
172.97601	37.8
173.01216	7.7
173.02750	2.1
174.99144	30.6
177.00745	2.8
177.02322	1.5
182.03419	1.6
182.99792	1.7
184.97592	12.1
186.99199	17.0
187.00751	1.7
188.97081	33.4
189.00732	16.3
190.98685	26.2
191.02361	2.1
191.03917	3.0
193.00214	17.8
193.03674	1.5
199.00703	1.5
200.04344	1.4
201.00732	6.0
202.98662	19.8
203.07707	1.5
205.00198	17.7
206.98146	9.0
207.01750	7.4
208.99695	3.4
211.01151	1.5
212.97105	4.8
212.98952	1.3
214.98634	21.4
215.00504	2.6
217.00212	15.5
217.02069	1.3
219.01810	6.5
220.99738	12.5
221.04988	2.8
223.01262	5.2
226.06813	2.0
230.65727	1.3
230.98138	13.4
231.00159	1.3
231.03619	1.8
232.99721	22.7
235.01257	9.0
237.02716	3.9
239.00757	1.9
240.96570	1.7
242.98166	5.3
244.99663	10.4
245.05057	4.3
247.01202	3.1
248.99107	6.5
251.00661	1.8
256.07980	1.8
257.01382	1.3
259.06418	1.4
260.99237	6.5
263.00754	33.0
263.06119	1.9
266.99783	2.7
270.97574	8.1
272.06631	7.9
272.99307	2.2
275.00763	5.1
277.02335	4.4
279.00183	1.7
281.01813	45.3
284.95575	3.0
285.00879	2.0
288.98645	13.9
291.00192	1.7
293.01913	3.0
298.97083	3.3
299.02808	7.2
316.98090	6.6
317.03528	2.2
321.01334	3.4
330.99579	13.9
331.02606	1.3
349.00803	5.1
358.99127	3.6
377.00256	3.5
391.07092	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1539
Annotation	Brasimarin A
Peak:m/z	Relative Intensity
52.14098	0.6
53.03931	1.4
53.47627	0.6
55.01866	0.8
58.47389	0.6
69.03447	0.6
70.34835	2.6
79.05489	2.5
91.05502	1.1
95.04958	1.4
98.21224	1.5
107.04964	86.8
108.05303	1.1
108.68622	0.6
109.02972	0.6
121.02966	0.7
121.06514	2.7
149.02370	2.9
153.07005	1.6
165.07048	2.2
166.07838	1.0
167.08513	0.9
171.07968	0.7
178.07695	1.2
179.08618	2.2
181.06512	1.4
181.10156	0.8
194.07271	0.9
195.08047	2.7
196.08894	2.1
197.09682	1.6
207.08119	3.0
208.08804	0.8
209.09615	3.2
211.07585	2.3
211.11116	0.9
219.07988	1.0
221.09598	1.0
223.07568	2.6
224.08322	4.9
225.09023	3.7
226.09932	1.0
227.10606	1.0
235.07552	1.8
236.08443	1.1
237.09200	3.1
238.09837	0.7
239.07039	1.3
239.10730	2.1
240.07854	2.4
251.07120	2.0
252.07797	8.0
253.08556	3.8
254.09415	3.5
255.10069	4.7
267.07538	0.6
267.10126	3.6
268.08871	0.8
269.07776	1.0
271.09738	1.4
282.08835	4.4
283.09497	5.5
284.10461	2.2
285.08676	1.1
285.11603	3.2
289.08078	0.9
297.09131	0.8
299.10623	0.9
300.11447	0.7
303.10162	0.8
311.10681	1.9
312.11447	0.9
313.08545	1.5
313.12131	1.3
314.09299	1.3
314.12939	0.8
315.10162	1.5
327.10135	1.5
328.10925	2.2
329.11765	2.9
330.12372	0.8
331.09576	0.7
341.11841	0.9
343.13361	0.8
345.14899	1.3
359.12701	1.9
360.13470	1.3
373.14514	1.8
376.13147	0.8
391.15411	100.0
392.15738	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.0
55.05516	18.9
57.07077	7.2
65.03956	3.4
67.05516	20.5
69.03436	6.1
69.07044	11.0
69.15398	40.8
79.05502	25.8
79.37038	3.5
81.07059	51.7
83.04981	7.0
83.08618	5.8
85.06528	6.9
91.05495	50.4
93.07058	42.4
95.04982	47.0
95.08619	27.8
97.06522	4.8
105.07030	74.9
107.08583	31.5
109.06519	14.3
109.10152	6.4
115.05458	6.5
117.07025	15.4
119.08593	69.3
121.06554	18.6
121.10160	25.4
123.08055	6.1
128.06245	10.7
129.07043	18.4
130.07780	10.5
131.08569	29.6
133.10095	23.6
135.08051	10.5
135.11691	6.3
141.07005	7.0
142.07756	20.9
143.08574	37.4
144.09366	4.5
145.06401	5.4
145.10129	50.6
147.08038	5.0
147.11684	13.3
149.02347	19.1
149.09637	6.6
153.07005	5.2
155.08546	19.3
156.09360	16.5
157.10149	43.7
158.10901	6.4
159.08034	7.8
159.11685	19.1
161.09622	10.9
163.66896	3.5
165.07048	8.7
167.08588	10.1
167.10570	4.1
168.09369	7.2
169.10147	27.5
170.10872	10.8
171.11740	22.6
173.09619	7.7
173.13272	16.8
175.11288	4.6
179.08566	13.9
180.09399	6.2
181.10124	21.9
182.10933	12.1
183.11674	19.0
184.12434	4.8
185.13295	10.1
187.11125	7.8
191.14340	6.9
192.09351	6.3
193.10150	16.4
194.10919	13.2
195.11690	24.3
196.12457	6.4
197.09587	3.7
197.13309	22.3
199.11256	8.8
199.14766	7.6
205.10176	6.3
206.10977	6.7
207.11745	23.8
208.12453	10.1
209.13222	24.4
210.13960	4.8
211.11215	5.7
211.14883	10.4
217.10065	4.9
218.11038	5.4
219.11694	6.2
220.12306	5.5
221.13284	13.9
222.13869	4.9
223.14838	16.6
225.12790	6.0
225.16374	6.5
227.14235	4.5
229.10173	6.1
231.11674	6.7
232.12454	6.0
233.13249	11.9
233.15407	6.9
234.13739	3.7
235.14847	11.4
241.16058	4.4
245.13200	11.0
247.14726	11.0
249.16438	13.5
251.18059	6.4
255.17513	4.4
259.14923	4.4
260.15564	6.9
261.16330	10.2
263.17947	9.9
265.19330	3.7
267.17377	7.8
269.19058	3.7
273.16269	7.6
275.18051	4.6
277.16208	3.9
279.17410	4.8
282.19794	7.9
285.29855	4.0
289.19452	4.8
291.17462	7.0
293.19025	6.5
311.20065	4.8
317.18848	5.3
329.32379	5.6
335.20029	8.6
373.25427	24.9
391.26364	100.0
391.35901	8.4
392.26227	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.05524	9.5
55.84436	2.0
55.86681	1.6
57.07082	4.8
65.03957	2.5
67.05508	11.8
69.03448	2.5
69.07070	8.6
69.41677	14.0
70.06622	1.9
71.05004	2.3
79.05505	17.7
81.07066	28.2
83.04977	4.8
83.08631	4.6
85.06565	4.0
91.05496	28.1
91.06035	3.0
93.07049	32.1
95.04977	32.1
95.08617	14.0
97.06530	4.6
102.72999	1.9
103.05447	2.3
104.57615	1.8
105.07040	44.6
105.07691	3.1
107.04973	3.3
107.08607	24.1
109.06557	7.9
109.10188	7.5
115.05500	3.4
117.07023	8.8
119.08581	35.8
121.06523	9.3
121.10149	17.8
123.08073	3.6
128.06258	7.1
129.07014	10.6
130.07825	6.4
131.08585	16.9
133.10132	11.1
135.08118	5.5
135.11711	3.8
141.07011	4.9
142.07803	14.6
143.08569	21.8
144.09390	3.9
145.06535	2.4
145.10147	32.5
147.08098	6.6
147.11761	6.9
149.02316	12.3
149.09695	3.9
153.07059	3.6
155.08633	8.3
156.09341	12.2
157.10149	28.6
158.10846	2.7
159.08133	7.3
159.11681	15.4
161.09621	9.0
163.11359	2.3
165.07089	4.4
166.07739	2.5
167.08632	6.2
167.10712	2.0
168.09372	3.5
169.10136	17.9
170.11005	3.3
171.08134	2.9
171.11710	14.1
172.09019	3.1
172.12334	1.9
173.09671	6.5
173.13342	10.5
175.11288	4.0
179.08597	11.2
180.09378	3.4
181.10194	11.0
182.10973	5.2
183.08131	2.5
183.11729	17.0
184.12456	2.0
185.09625	3.2
185.13332	8.1
187.11221	3.5
192.09406	5.3
193.10095	12.3
194.11073	6.2
195.11713	18.0
196.12520	2.8
197.09717	4.5
197.13223	13.1
199.11305	6.2
199.14905	4.5
201.12910	3.3
204.09497	2.7
205.10194	4.1
206.10991	8.2
207.11707	14.1
208.12617	6.5
209.09782	2.0
209.13277	14.2
210.14157	4.2
211.11345	5.2
211.14873	10.9
213.12866	6.6
217.10222	3.0
218.10954	4.3
219.11781	7.1
220.12637	2.3
221.13216	9.7
222.14084	3.7
223.11259	5.8
223.14905	7.9
225.12856	6.8
227.14439	4.9
231.11813	3.6
232.12416	3.7
233.13322	5.4
234.14027	4.2
235.11234	2.1
235.14957	6.9
237.12898	2.2
237.16512	5.1
239.14459	3.9
243.11821	3.5
245.13309	3.6
246.14046	2.2
247.15005	5.7
249.12730	2.2
249.16550	4.8
251.14368	3.3
251.18054	3.2
259.14795	3.2
261.12823	2.1
261.16489	3.9
263.18051	5.3
265.16135	2.3
267.17642	4.2
273.16409	3.1
275.18033	3.2
277.19437	2.3
279.17484	3.9
282.19901	3.0
284.15671	2.2
289.19739	4.0
291.17618	3.3
295.20703	3.1
297.18799	5.6
299.18008	2.7
317.19159	4.5
321.22421	2.2
335.20267	5.9
345.26099	2.9
355.24313	2.6
373.25241	19.5
391.26312	100.0
391.36389	4.1
392.26733	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16996	5.3
52.20840	6.0
52.21841	6.2
52.87189	5.5
55.05510	19.0
57.07066	12.8
61.26486	5.4
65.03937	8.9
67.05492	24.9
69.07069	13.1
71.08632	7.8
71.51369	13.2
79.05496	33.7
81.07057	51.1
81.32504	6.7
83.04972	11.8
83.08636	12.3
87.71555	6.4
91.05482	52.5
93.07057	40.4
95.04972	46.8
95.08598	20.5
97.06547	9.5
105.07029	91.4
107.08604	34.2
109.06528	15.5
109.10155	16.5
117.06998	15.3
119.08582	64.3
121.02857	9.3
121.06526	6.8
121.10120	31.9
129.06998	16.0
130.07797	9.6
131.08574	31.5
133.10127	19.6
135.08058	19.0
141.06969	10.5
142.07793	14.8
143.08557	29.7
145.10110	75.0
147.08023	12.3
147.11720	10.7
149.02365	77.3
149.09650	10.1
155.08566	11.9
156.09320	14.4
157.10103	43.8
159.08072	14.6
159.11707	18.0
161.09587	12.4
165.06998	7.5
167.03474	7.5
167.08549	16.4
169.10141	25.3
171.11694	32.9
173.09521	7.6
173.13210	15.0
179.08507	9.5
181.10091	13.7
182.10913	8.1
183.11655	24.0
185.13298	16.0
192.09462	8.0
193.10168	14.5
194.10901	14.5
195.11671	23.1
196.12387	7.3
197.13246	23.9
199.14824	8.6
207.11656	21.1
209.13272	27.5
211.11394	8.5
211.14809	8.7
213.12802	8.3
219.11678	9.6
221.13245	17.8
222.14055	7.0
223.14720	16.5
229.77921	6.7
231.11783	8.0
233.13283	15.5
235.14954	14.2
246.13841	6.6
265.19464	7.9
267.17386	7.5
277.19406	8.8
297.18582	8.5
356.82593	6.8
373.25058	19.5
391.26245	100.0
391.36230	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	391.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	26.0
57.07083	32.9
67.05511	37.9
67.50504	5.3
69.07070	52.5
71.04975	18.6
71.08627	18.2
71.52131	5.7
71.52533	6.0
79.05466	13.0
81.07056	71.2
83.08607	22.7
85.06563	24.4
85.10175	5.7
86.09724	7.9
89.06041	25.0
91.05473	11.2
93.07041	37.2
95.08611	100.0
97.06528	5.0
97.10159	13.9
97.49140	5.1
100.11263	4.9
105.07027	14.6
107.08609	56.0
109.09484	5.9
109.10165	75.6
109.43281	6.8
111.11720	16.0
119.08582	10.1
119.88425	4.8
121.10155	49.5
122.71398	4.9
123.11729	44.1
133.08641	6.0
133.10143	9.7
135.11739	25.2
136.11148	7.1
137.13242	15.1
142.30890	5.2
145.10143	6.5
147.11626	7.4
149.02350	63.0
149.13243	19.5
149.18629	6.0
151.14856	5.8
163.14806	15.7
177.16391	43.0
181.15871	5.0
191.17938	15.8
195.12312	11.7
195.17648	5.0
205.19562	11.9
219.21178	11.7
237.59355	5.7
257.80371	5.3
305.28345	6.8
320.04605	5.8
373.34537	22.6
391.35666	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	392.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
56.05033	4.3
57.03439	15.3
58.99588	10.1
62.06103	1.7
69.03462	1.5
70.06597	4.8
70.33692	4.8
76.02235	48.2
76.04006	1.6
83.06107	2.7
84.04510	26.3
84.08152	9.2
85.06548	23.4
86.09711	4.3
86.99074	3.4
87.02697	2.0
88.02197	1.6
89.00619	3.4
96.08112	2.2
99.02701	5.5
102.05561	1.5
102.12640	1.3
107.04963	3.0
112.04008	3.0
116.01686	14.7
116.05285	1.5
117.03726	100.0
119.04939	1.4
124.08723	5.8
125.04238	3.5
129.06627	6.2
130.04996	14.0
130.68008	1.4
138.05556	1.7
142.03232	3.6
142.06911	8.1
142.08678	2.5
143.05283	5.0
144.01201	5.3
147.04367	1.8
147.32692	1.5
149.02364	5.7
153.06679	1.4
160.07928	19.6
162.02211	29.9
166.05382	1.8
167.07088	4.6
170.09282	2.4
179.04842	20.0
187.05351	1.9
195.06566	2.8
213.07700	2.1
233.05911	4.4
245.09575	88.1
246.07916	7.1
263.10675	7.1
278.18765	1.5
301.55011	1.3
317.11728	18.7
366.92355	1.4
392.08624	1.3
392.14822	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	393.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
57.03429	1.0
57.51645	0.6
69.03435	9.5
70.66663	2.1
71.04989	3.2
81.03423	67.6
82.03745	1.0
83.01346	2.1
85.02905	13.8
91.05486	100.0
92.05820	1.2
97.02894	9.0
98.21420	0.8
98.98840	0.7
99.04462	8.6
108.43011	0.7
109.02886	26.2
115.05470	2.4
117.06999	3.8
119.04948	0.9
127.03922	36.2
127.15942	0.8
133.06522	3.0
139.03973	0.7
143.04935	2.8
145.05023	1.5
145.06500	1.8
145.24982	0.7
161.05981	12.7
169.04971	1.4
171.04422	8.0
171.05766	0.9
179.07062	10.4
186.87427	0.6
187.06046	16.6
189.05510	1.5
207.44035	0.7
215.05696	0.8
296.90170	0.8
305.10117	1.1
347.36520	0.7
393.11914	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02871	0.7
53.03954	8.7
55.01878	1.1
57.03445	1.2
61.02927	0.8
65.03950	0.8
65.55497	0.7
67.94082	0.7
69.03434	14.3
69.94024	0.7
70.03786	2.5
71.05006	7.0
73.02905	0.8
81.03427	47.7
83.01357	1.5
83.05009	1.0
85.02917	7.6
91.05489	100.0
97.02904	13.3
99.04466	17.9
105.03371	0.9
105.07029	1.4
109.02895	27.9
115.05476	5.8
117.07040	5.7
119.04953	1.8
127.03929	87.2
131.03503	0.8
133.06517	4.1
143.04892	4.1
145.04988	10.6
145.06522	2.8
161.04663	1.1
161.06001	23.4
169.04961	3.3
171.04417	17.1
179.07057	11.2
187.06042	6.7
189.05525	2.5
213.63785	0.8
221.08136	1.6
231.06392	0.9
305.10461	0.9
326.49365	0.8
393.11887	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	393.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.9
53.69357	0.6
55.01876	1.4
55.05506	0.9
57.03439	1.1
63.69109	0.5
67.05501	1.2
69.03438	9.5
70.27743	0.7
70.99752	1.7
71.05003	6.6
74.72211	0.6
81.03425	29.8
81.07076	1.5
83.01350	1.5
83.04971	1.0
85.02917	8.8
91.05489	64.7
92.05859	0.7
93.07066	1.5
95.08598	1.2
97.02902	10.3
99.04461	18.7
105.07037	2.3
107.04972	1.5
107.08611	1.5
109.02887	20.3
115.05457	3.9
117.07043	5.9
118.68084	0.6
119.04916	1.3
119.08601	1.1
121.02856	0.7
127.03930	100.0
128.04311	0.9
129.07043	0.9
131.08611	1.3
133.06467	3.3
133.10164	1.1
143.04906	3.8
145.04984	8.6
145.06500	2.5
145.10149	1.4
147.04443	1.0
147.11632	0.8
151.03941	3.4
157.10170	1.2
161.05997	16.8
168.70049	0.6
169.04984	3.6
171.04419	15.9
179.07053	7.2
181.06755	0.7
187.06064	2.1
189.05475	2.2
269.08228	1.8
294.33151	0.8
299.05627	1.8
305.10306	1.1
325.32968	0.7
393.12415	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49003	0.9
53.03955	6.9
69.03435	8.9
71.04982	3.6
81.03424	68.8
83.01340	1.9
85.02914	13.9
91.05489	100.0
92.05796	1.1
97.02898	13.2
99.04449	11.5
109.02888	29.4
115.05458	2.7
117.07030	4.5
119.04951	2.0
127.03928	42.2
133.06508	1.7
143.04906	2.8
143.36847	0.9
145.04938	1.7
145.06480	1.3
161.06003	13.6
169.05014	1.1
171.04407	8.9
179.07040	14.4
187.06041	19.3
189.05562	1.3
215.05406	1.3
218.48901	1.0
295.43820	0.9
305.10239	1.0
365.40894	0.9
393.11963	5.2
412.81927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.9
56.56592	1.0
57.07096	1.1
59.15345	1.1
67.13302	1.0
69.03432	16.4
70.63409	3.8
71.04996	4.6
73.02888	1.4
81.03425	49.0
85.02910	11.4
91.05489	100.0
94.78580	1.0
97.02901	13.3
99.04471	16.9
103.05412	1.4
105.07053	2.0
108.83265	1.1
109.02887	31.3
115.05476	5.2
117.07018	6.9
119.04954	1.6
127.03927	92.1
133.06511	4.7
143.04951	5.0
145.04973	11.5
145.06494	3.3
161.05991	21.3
169.04970	3.2
171.04433	18.4
179.07071	13.2
187.06046	9.2
189.05495	2.3
214.04311	1.1
215.73584	1.4
256.82971	1.5
271.47089	1.1
287.09137	1.3
315.08731	1.4
393.11914	4.2
416.78418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.7
53.18005	0.8
55.01863	1.0
57.03426	0.8
65.03957	1.0
69.03088	1.2
69.03434	16.6
70.95900	1.9
71.04993	5.9
81.03423	48.8
83.01355	1.7
85.02911	7.2
91.05485	100.0
92.05796	1.7
97.02901	12.1
97.49203	0.8
99.04462	18.4
99.05106	1.0
105.03419	0.7
105.07030	2.2
109.02884	28.5
112.08782	0.8
113.99333	0.8
115.05463	4.8
117.07014	6.4
119.04949	1.5
127.03925	82.8
128.04282	0.9
132.65489	0.9
133.06505	3.9
143.04930	5.7
145.04968	11.0
145.06505	2.5
147.04408	1.6
161.05994	24.5
169.04974	2.5
171.04425	16.9
173.04510	1.0
179.07043	10.9
187.06029	7.1
189.05540	2.5
215.05643	0.8
221.08038	1.2
305.10046	0.9
393.11707	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1542
Annotation	5,4'-Dihydroxybibenzyl 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02388	1.2
53.03938	2.7
55.01870	3.4
57.03431	2.4
67.05500	2.8
69.03428	7.5
70.06590	3.8
71.05000	1.9
71.51425	1.9
72.08124	1.8
73.02922	1.8
79.05493	2.6
81.03428	6.8
81.07048	2.2
83.04977	1.5
84.08138	2.6
85.02901	14.8
86.09715	4.9
88.03956	1.1
91.05486	7.5
91.47291	1.1
93.07041	9.6
95.04955	4.1
97.02906	5.7
99.04446	2.9
103.03949	2.2
103.05453	5.9
104.84325	0.9
105.04525	1.3
105.07031	6.1
107.04956	94.7
107.08564	1.4
108.05259	1.1
109.02887	6.0
109.10192	1.2
112.31594	1.0
117.07010	1.7
119.08566	2.1
120.08114	9.8
121.06509	71.8
125.05975	1.2
127.03893	7.1
129.07016	1.1
129.10246	1.6
133.06471	8.8
134.42924	1.1
135.07996	0.9
137.05972	20.6
145.06490	1.3
147.04387	2.7
147.08052	1.9
149.05968	4.5
161.05988	30.3
167.07130	1.3
171.04419	1.2
173.05983	1.7
175.07567	3.0
179.07062	7.9
187.07489	2.1
189.05418	1.1
189.08995	1.4
191.06990	1.3
191.23904	1.0
201.12352	1.4
203.07059	6.4
203.10707	1.1
215.07030	1.4
216.07758	2.2
227.06821	1.3
231.10170	100.0
232.10437	1.8
235.10745	3.9
243.10190	25.2
245.08084	1.5
255.10182	18.8
267.10153	3.3
269.11572	1.4
273.11255	15.3
283.02002	1.1
297.11215	14.8
316.25278	1.0
318.98224	1.2
321.11395	2.1
327.12305	1.8
339.11963	5.2
357.13120	1.2
393.14880	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	393.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
58.88131	0.1
59.09823	0.1
63.69837	0.1
69.03414	0.7
70.06578	0.7
71.50771	0.2
72.08141	0.2
79.05476	0.2
81.03401	0.5
83.04978	0.3
84.04532	0.2
85.02890	0.6
86.09698	0.6
87.05591	0.2
91.05478	0.3
93.07048	0.3
99.04432	0.2
103.05441	0.3
105.07041	0.3
107.08577	0.3
109.02870	0.2
115.05446	0.2
119.08610	0.2
120.08100	1.5
121.06512	0.2
127.03945	0.4
129.06589	0.3
129.10255	0.2
130.06479	0.3
131.08525	0.2
135.08043	0.7
137.05930	0.3
145.06523	0.2
145.10080	0.2
147.04430	0.4
153.06982	0.2
159.11674	0.2
160.05138	0.3
161.05959	0.6
162.06773	0.3
163.07547	0.5
171.08104	0.3
173.05971	0.6
173.13222	0.2
174.06766	0.4
175.07596	0.3
181.06482	0.3
187.07504	0.6
187.11093	0.2
188.08327	0.7
189.09071	0.3
198.06808	1.4
199.07474	0.8
200.08455	0.2
201.05446	0.2
201.12717	0.6
203.10701	0.7
206.45758	0.2
213.09116	0.2
215.07037	0.8
216.07826	6.4
229.12213	0.5
231.10168	100.0
232.10544	2.2
234.12331	0.6
262.11926	0.3
297.07648	0.2
375.19220	1.1
393.15479	0.7
398.20349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25002	0.8
53.03951	1.7
55.01870	1.6
55.05524	1.5
55.66779	0.9
56.05039	1.9
60.04530	3.0
61.02928	0.9
68.05027	1.7
69.03440	4.2
69.07080	1.6
70.06596	8.1
71.05007	1.0
71.50990	1.4
72.08158	14.6
74.15385	0.9
80.04997	1.5
81.03419	4.5
82.06586	4.0
84.04513	27.7
84.08162	8.4
85.02894	1.9
86.09715	14.7
91.05482	1.4
95.04961	1.1
96.04498	19.0
97.02905	5.0
98.06062	8.8
101.68401	0.9
103.05434	1.2
107.04968	8.6
108.04510	1.4
109.02898	6.0
110.07188	1.2
114.05551	1.8
116.07112	2.4
120.08116	19.1
126.05527	36.7
127.03945	2.5
129.10239	4.1
133.06090	2.3
136.07590	1.3
138.05511	100.0
139.05881	1.1
144.06569	13.6
144.10216	15.1
146.05975	1.0
147.04529	1.2
149.06033	1.7
151.03923	5.1
151.98943	1.0
168.06583	19.7
172.09711	2.6
177.05470	1.2
186.07634	9.4
190.10736	9.0
197.08122	2.5
203.03426	1.6
215.03210	1.0
231.05222	1.1
231.10229	1.5
233.16577	8.5
243.06581	1.2
245.04533	2.2
247.04364	1.9
257.04584	1.2
261.16037	2.4
261.48492	1.0
267.06464	1.6
287.05533	6.7
299.05518	1.2
329.17191	1.2
393.09491	5.7
393.14383	3.0
394.26849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
55.05497	2.6
56.05040	3.2
57.03440	1.6
59.25297	1.6
60.04527	1.8
69.03439	7.1
69.07066	4.2
70.06599	20.6
70.83846	1.4
70.98020	3.1
72.08159	16.8
74.06079	2.2
79.05488	2.2
81.03418	4.7
82.06580	2.8
84.04506	30.3
84.08147	16.6
85.02898	4.6
86.09714	47.2
87.05592	3.5
91.05476	5.2
93.07032	2.1
96.04496	20.1
97.02890	6.4
98.06047	10.8
98.09660	2.4
99.04467	2.8
103.05463	3.2
107.04972	12.8
109.02868	7.0
114.05524	1.7
116.07104	3.7
120.08115	62.6
121.50008	1.4
125.05994	1.9
126.05522	34.9
127.03925	4.3
128.07158	1.9
129.10229	10.3
133.06116	9.1
138.05511	100.0
144.06577	17.7
144.10211	17.7
146.06036	3.0
147.04433	7.0
149.06021	1.9
150.59888	1.8
151.03911	4.8
151.07549	1.7
168.06567	21.2
172.09734	4.2
175.03915	2.7
186.07579	10.1
188.07085	5.1
189.08748	2.1
190.10759	11.1
197.08081	2.7
233.16510	30.2
245.04318	3.5
247.04202	8.6
257.04330	2.2
259.08368	3.5
261.15982	8.0
265.08691	1.5
287.05444	11.3
299.05585	1.6
375.17862	3.4
393.09424	9.3
393.14139	4.9
393.24493	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1884
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
53.03961	0.5
56.43657	0.5
59.77594	0.5
63.40670	0.5
65.02221	0.5
69.03427	2.6
70.06587	1.4
71.50980	0.6
79.05456	0.5
81.03406	1.7
81.07069	0.7
84.08143	0.8
85.02903	2.0
86.09701	1.8
88.45296	0.5
89.60554	0.5
95.04939	0.7
97.02884	1.6
99.04453	1.1
105.07065	0.6
107.04942	0.7
109.02895	2.1
111.22164	0.5
119.13818	0.5
120.08083	0.6
122.80343	0.6
127.03926	2.5
137.06009	0.7
147.04391	0.8
161.06068	0.5
203.05254	0.8
204.02403	0.6
393.18845	100.0
394.19345	3.4
403.29373	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.05513	21.9
57.03419	5.3
57.07074	45.1
65.03942	3.2
67.05506	46.6
68.52680	3.4
69.03412	3.7
69.07070	34.3
69.37753	5.4
69.38157	18.1
71.08636	32.4
79.05494	34.3
81.07059	77.7
83.08623	23.1
85.06502	4.7
85.10178	12.9
86.09693	9.0
88.05545	3.2
89.83770	2.9
91.05483	50.5
93.07045	61.7
95.04974	41.6
95.08613	88.2
97.06532	13.5
97.10178	9.6
98.98470	67.9
103.05479	4.4
105.07034	73.8
107.04996	3.4
107.08600	55.4
109.06523	16.2
109.10160	42.0
115.05475	9.3
117.07025	17.1
117.07801	2.8
119.08586	72.1
119.09380	6.0
119.90108	3.1
121.06551	17.9
121.10146	36.4
123.08074	6.1
123.11718	23.8
126.53163	3.3
128.06190	7.6
128.53525	3.4
129.07010	9.2
130.07774	5.1
131.08569	37.1
132.10204	6.6
133.10139	42.7
135.08058	5.2
135.11700	23.5
137.09569	4.5
137.13242	9.8
141.06975	5.7
142.07817	18.6
143.08563	27.9
143.12694	3.4
144.09335	9.7
145.10133	51.4
145.80356	3.0
147.08090	3.2
147.11702	23.2
149.09627	4.2
149.13246	13.4
151.07591	3.6
155.01044	100.0
155.08533	8.5
156.09364	8.3
157.10147	43.4
158.10892	4.6
158.27083	3.3
159.08109	6.8
159.11699	51.0
161.09604	14.5
161.13293	8.3
163.11150	6.4
163.14848	8.4
167.08569	5.6
169.10135	18.4
171.11685	25.5
173.13246	22.0
175.11263	5.4
175.14845	18.1
177.16357	5.9
179.08531	5.7
180.09450	4.0
181.10112	8.5
183.11667	18.5
185.13275	13.4
187.11287	3.9
187.13373	3.2
187.14787	19.0
189.16405	4.6
192.22839	3.2
195.11818	10.0
196.12434	3.8
197.13290	15.6
198.14212	3.4
199.14771	6.1
201.16364	15.9
207.11613	4.4
209.13243	8.8
211.14838	7.6
213.16437	11.1
221.13283	4.2
225.16333	4.2
227.17865	6.0
239.18105	3.6
239.23752	7.6
241.19522	7.0
253.15834	6.2
255.21075	7.9
269.22614	4.4
320.57767	3.9
375.26932	4.1
382.20776	3.2
393.27722	8.5
393.35477	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.05297	2.9
55.05518	23.8
57.07079	30.1
62.51287	3.1
65.03912	4.4
67.05512	37.9
69.03419	3.6
69.07079	22.9
69.67094	19.9
71.04996	5.5
71.08636	17.5
79.05497	45.5
81.07063	70.9
83.04967	7.2
83.08626	13.6
85.06573	4.1
85.10188	8.3
91.05490	66.4
93.07051	84.6
95.04972	52.2
95.08614	74.9
97.06529	9.8
97.10159	3.7
98.98474	30.8
103.05472	5.6
105.04549	4.9
105.07037	100.0
105.52834	3.1
107.08614	54.9
109.06516	13.8
109.10165	28.0
113.00022	25.0
115.05419	6.1
117.07034	23.0
119.08589	94.7
120.09348	3.2
121.06522	21.3
121.10162	40.9
123.08054	6.6
123.11697	13.8
128.06215	12.8
128.13766	3.0
129.07013	19.4
130.07771	9.4
131.08592	42.0
133.10141	57.8
135.08035	7.0
135.11688	21.6
141.06990	11.1
142.07808	26.3
143.08597	34.1
144.09322	11.3
145.06505	4.1
145.10136	76.7
147.08134	4.7
147.11760	16.0
149.09630	3.4
153.07010	3.1
154.07771	4.5
155.01054	44.9
155.08569	13.2
156.09378	13.8
157.10147	55.2
158.10921	4.0
159.08080	5.0
159.11717	48.5
161.09608	16.4
161.13252	4.8
163.11182	4.7
165.07033	4.3
166.07718	3.4
167.08463	6.1
168.09370	7.9
169.02617	21.8
169.10159	23.3
170.10870	6.0
171.11688	21.2
172.12402	4.9
173.13289	19.6
173.75864	3.1
175.11200	9.9
175.14825	18.3
179.08546	6.4
180.09406	3.6
181.10133	8.4
182.10858	5.3
183.11728	22.1
185.09589	3.7
185.13234	15.8
187.11250	6.9
187.14761	9.1
193.10175	7.3
194.10869	5.3
195.11687	10.4
196.12563	5.2
197.13333	21.5
198.13947	3.4
199.14833	10.7
201.16438	7.9
207.11732	8.8
208.12483	3.9
209.13281	14.4
211.14873	10.1
213.16263	3.6
221.13144	7.2
223.14908	7.4
225.12457	3.0
225.16437	5.9
235.14850	5.4
239.18019	3.6
240.15117	3.9
241.19633	3.5
253.15874	6.5
253.19630	4.2
273.79309	3.1
281.19022	5.0
293.19025	4.0
375.26685	5.3
393.27765	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09101	3.4
53.03943	8.8
55.01881	5.6
55.05515	24.0
57.03454	5.2
57.07081	28.6
59.05027	3.9
65.03935	4.8
67.05180	4.3
67.05514	57.1
69.03426	3.7
69.07084	28.6
71.05000	4.2
71.08631	14.6
79.05500	47.6
81.03417	6.1
81.07069	84.9
83.04980	6.6
83.08624	15.6
84.03239	2.9
85.06554	7.3
85.10189	6.7
89.06051	4.8
91.05494	78.3
93.07051	98.3
95.04974	57.4
95.08620	73.0
95.42239	3.9
96.35297	3.2
97.06533	12.7
97.10207	7.2
98.98478	34.2
100.68645	3.2
103.05470	8.0
105.07044	100.0
107.04952	3.8
107.08614	61.7
109.06519	19.3
109.10155	36.6
115.05489	7.3
116.06232	3.9
117.07020	25.8
119.08595	98.9
121.06528	26.1
121.10149	44.5
123.08064	5.7
123.11733	14.1
127.63675	3.7
128.06201	11.9
129.07039	17.9
130.07765	8.9
131.08588	46.7
133.10146	59.5
135.08080	9.8
135.11702	28.1
141.07001	8.2
142.07784	26.4
143.08580	38.4
144.09346	12.1
145.10139	69.1
146.07294	3.9
147.11700	29.0
153.07051	4.1
155.01067	36.0
155.08575	14.7
156.09354	14.5
157.10150	61.0
157.34698	3.4
158.10872	4.2
159.08096	5.2
159.11702	45.7
161.09630	14.0
161.13240	9.6
163.11174	6.5
165.06963	3.6
167.08623	5.7
168.09430	7.2
169.10138	26.4
170.10928	6.1
171.11723	27.9
172.12453	4.9
173.09584	3.3
173.13274	28.3
175.11215	11.4
175.14838	20.2
179.08586	7.9
181.10164	12.1
182.10933	4.9
183.11710	19.2
185.09595	3.9
185.13246	17.6
186.14014	4.3
187.11137	6.9
187.14888	9.5
193.10127	4.8
194.10954	6.8
195.11769	16.1
196.12495	5.4
197.13339	17.0
199.14877	10.9
201.12721	5.2
201.16350	9.8
206.10812	4.0
207.11688	4.9
209.13293	15.7
211.14835	10.0
213.16396	7.4
214.93947	3.1
219.17473	6.8
220.12434	4.7
221.13261	7.0
223.14845	7.5
224.26282	3.3
225.16403	3.7
235.14874	7.0
237.16568	4.2
239.18059	5.2
253.15819	3.7
253.19540	3.8
295.20660	4.0
305.06989	4.1
319.19669	8.3
337.20499	5.3
360.21640	3.8
368.60959	3.5
375.27057	7.7
393.27029	18.1
393.35464	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	393.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.7
55.05512	15.7
57.07084	32.9
67.05512	32.0
69.07055	20.2
71.08602	12.6
71.51472	4.5
72.52537	6.2
79.05486	24.3
81.03407	7.8
81.07060	70.7
83.08627	6.5
89.06027	20.8
91.05484	43.5
93.07043	45.5
95.04963	23.5
95.08607	57.6
96.11584	5.1
97.06522	9.2
97.10074	5.5
98.98449	19.5
105.07036	66.9
107.08599	41.1
109.06509	6.3
109.10164	28.1
111.07999	6.9
117.07018	13.4
119.08585	62.6
121.06512	9.7
121.10149	26.3
123.08099	13.9
123.11718	10.6
129.07047	7.0
131.08556	22.6
133.08594	13.3
133.10150	30.0
135.08069	9.7
135.11705	13.5
142.07703	7.5
143.08551	22.2
145.10135	41.5
147.11719	17.9
149.13293	7.6
151.07556	100.0
155.01053	29.1
155.08618	5.9
156.09267	6.5
157.10143	22.6
159.11728	36.9
161.09625	15.2
161.13300	14.4
165.77785	5.4
169.10114	11.3
171.11667	13.1
173.09613	10.8
173.13248	17.3
175.11156	19.0
175.14851	15.5
181.10054	7.5
183.11664	7.0
185.09674	6.7
185.13284	6.6
187.11163	10.7
187.14775	18.5
189.12727	6.7
191.10692	49.7
197.13319	6.6
199.11108	12.2
203.10741	12.2
205.12289	13.4
209.13164	5.6
221.13318	6.1
227.14087	5.4
229.19524	7.8
230.30252	5.5
231.13728	8.6
239.14667	10.5
255.20938	7.7
269.15393	6.8
393.27798	81.1
393.35376	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	393.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65518	0.9
53.03948	6.7
55.01872	11.0
55.05506	4.6
57.03436	4.8
57.06795	1.3
57.07077	23.8
62.35088	0.8
67.05500	3.0
69.07076	4.9
71.00475	1.9
71.00813	1.8
71.08636	21.1
75.34476	0.8
77.01201	1.0
80.95591	0.9
81.03416	14.0
81.07050	3.3
82.54222	1.1
83.08607	2.8
83.56200	1.0
85.10180	12.0
93.07047	1.3
94.88023	0.9
95.08617	2.1
97.10166	3.0
99.00816	1.3
99.04434	2.2
99.11732	1.1
105.06989	1.1
109.02878	35.9
109.10131	1.4
109.78353	1.0
115.03931	9.5
119.08607	1.2
123.04427	2.5
127.03918	100.0
141.05469	5.1
155.06996	2.6
157.20505	0.9
169.08614	5.8
181.68654	0.9
183.10156	8.1
197.11713	8.9
211.13289	6.7
225.14853	8.5
239.16437	7.2
248.29387	1.0
253.18002	9.2
267.19601	8.3
275.06494	0.9
281.21060	6.5
295.22696	5.9
309.24283	5.0
323.25732	3.8
337.27454	6.2
382.07367	1.1
392.97113	1.0
393.33725	20.8
393.39178	3.8
394.33405	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
53.17389	2.6
55.05518	33.7
57.07082	25.8
61.75126	2.5
67.05511	18.4
69.07071	44.4
71.08621	8.8
75.39317	2.6
79.05497	13.2
81.07056	69.7
83.08624	96.3
85.10181	8.0
91.05487	12.9
93.07031	19.5
95.08602	29.7
97.10187	16.7
98.21558	4.0
105.07024	21.8
107.08606	29.2
109.10154	14.4
114.82382	2.6
117.07022	5.8
119.08579	13.1
121.10178	14.5
123.11686	9.6
129.07008	7.7
131.08578	15.8
133.10132	19.3
135.11716	8.4
142.07756	4.1
143.08572	8.3
145.10152	26.8
147.11655	17.5
149.13289	5.3
155.08568	3.5
157.10117	25.8
159.11740	19.4
161.13286	7.8
163.14815	4.7
171.11707	10.8
173.13266	10.2
175.14751	3.2
183.11728	7.2
185.13289	10.8
187.14742	6.4
189.16428	4.7
197.13321	5.3
199.14857	7.6
201.16400	8.6
211.14748	7.3
213.16397	6.3
215.18028	3.8
225.16382	2.9
231.47034	2.5
239.17938	9.1
241.98424	2.7
253.19583	3.6
255.21010	3.4
267.21240	2.6
295.24261	15.8
300.37619	2.5
309.25891	9.5
347.79190	2.9
385.69656	2.5
393.35196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25451	5.3
55.01872	7.8
56.05040	6.8
56.96556	13.8
59.06578	6.0
67.05499	6.5
69.03405	16.0
69.35102	7.2
69.35510	44.7
70.06592	24.2
70.14051	6.1
71.05004	8.7
72.04510	8.8
73.02904	7.8
73.69830	5.2
74.06084	8.7
81.03404	8.5
84.04501	8.1
84.08147	41.6
85.02918	42.5
85.70185	5.1
86.09699	10.9
89.98975	5.6
91.05486	41.3
95.59348	6.0
97.02896	14.9
98.97588	26.3
102.44656	5.9
107.04961	26.1
109.02859	8.2
110.07212	8.9
110.97612	8.6
111.04491	9.2
116.98634	9.2
119.04942	53.0
120.08096	16.9
121.06522	10.3
122.80969	5.7
127.03927	27.4
129.10278	28.0
133.02898	7.5
135.04448	18.3
137.05968	53.5
147.04416	97.0
149.05974	9.2
158.97559	6.8
158.99660	7.7
162.04123	17.6
165.05556	10.1
167.07036	26.9
173.01181	6.3
179.07019	100.0
179.08546	7.5
195.62183	5.7
197.08116	15.8
202.10823	16.6
207.13335	6.4
219.01776	13.0
229.07156	18.6
234.98978	6.9
237.02863	16.1
263.08972	14.5
394.14636	10.6
395.13321	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	394.1976
Annotation	Asp Ile Phe
Peak:m/z	Relative Intensity
55.05506	0.8
56.85620	0.7
67.16962	0.7
69.03407	1.1
69.07068	10.0
69.56361	3.2
70.02962	1.6
70.06595	2.0
71.05030	0.7
72.08157	2.0
73.04012	1.2
84.08119	0.9
85.02896	1.3
85.04023	2.5
86.09708	69.2
87.10023	2.0
88.03992	13.4
96.08138	5.4
98.02406	4.4
103.05444	2.2
107.04981	1.3
110.07178	1.5
110.09637	1.9
113.10753	1.3
115.05023	0.8
120.08107	28.7
124.07605	0.8
127.03894	0.9
133.06097	2.0
137.05972	1.2
138.09120	2.2
141.10228	11.6
142.08615	2.5
147.04459	0.9
149.05980	0.9
155.11752	0.9
156.10201	21.1
166.08638	13.6
172.04779	0.9
181.01213	0.8
183.11282	4.3
184.09712	2.0
201.12346	100.0
202.12605	0.8
213.09129	0.8
229.11842	13.8
257.08105	1.2
272.10474	2.2
394.18845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	23.7
56.05032	21.3
57.03432	12.1
69.03429	53.2
69.07066	28.3
70.06593	73.9
71.04998	14.8
71.06956	13.7
72.08156	31.8
75.45160	13.8
79.05498	21.8
80.31567	13.0
81.03403	47.0
81.07079	19.0
83.04992	32.8
84.04503	18.6
84.08138	83.2
85.02910	58.7
86.09709	72.3
91.05479	49.1
93.07041	44.2
95.04971	34.4
97.02873	33.9
98.97584	32.9
105.07040	64.4
107.04966	17.3
107.08576	20.1
109.02894	31.4
120.08092	26.0
121.06428	21.7
125.05938	18.7
127.03923	46.0
127.41476	14.8
129.10260	47.3
133.10124	13.7
135.11656	17.2
137.05962	18.0
145.10135	70.0
147.04376	19.0
147.08006	15.9
147.11670	16.3
151.07683	16.5
157.10078	17.0
159.11710	26.7
161.06055	14.9
163.11212	53.1
173.09648	33.6
175.57594	13.6
183.11594	13.7
187.11133	41.6
191.10692	27.1
192.89534	12.6
199.34944	16.3
215.10725	33.4
233.08101	50.7
233.11731	24.3
237.02844	25.0
309.06519	23.6
327.07614	52.9
395.07596	100.0
395.17020	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	395.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	23.7
56.05032	21.3
57.03432	12.1
69.03429	53.2
69.07066	28.3
70.06593	73.9
71.04998	14.8
71.06956	13.7
72.08156	31.8
75.45160	13.8
79.05498	21.8
80.31567	13.0
81.03403	47.0
81.07079	19.0
83.04992	32.8
84.04503	18.6
84.08138	83.2
85.02910	58.7
86.09709	72.3
91.05479	49.1
93.07041	44.2
95.04971	34.4
97.02873	33.9
98.97584	32.9
105.07040	64.4
107.04966	17.3
107.08576	20.1
109.02894	31.4
120.08092	26.0
121.06428	21.7
125.05938	18.7
127.03923	46.0
127.41476	14.8
129.10260	47.3
133.10124	13.7
135.11656	17.2
137.05962	18.0
145.10135	70.0
147.04376	19.0
147.08006	15.9
147.11670	16.3
151.07683	16.5
157.10078	17.0
159.11710	26.7
161.06055	14.9
163.11212	53.1
173.09648	33.6
175.57594	13.6
183.11594	13.7
187.11133	41.6
191.10692	27.1
192.89534	12.6
199.34944	16.3
215.10725	33.4
233.08101	50.7
233.11731	24.3
237.02844	25.0
309.06519	23.6
327.07614	52.9
395.07596	100.0
395.17020	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	395.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43942	2.3
51.32563	2.2
53.03947	10.1
55.01867	4.8
55.05505	8.7
56.70576	2.2
57.03433	10.7
60.65670	3.0
61.02924	6.1
65.03943	2.5
67.05497	3.9
68.99797	5.1
69.03428	43.0
69.07050	3.5
70.06587	9.5
71.01342	3.1
71.04996	14.5
71.51296	3.7
72.08153	5.1
73.02927	4.7
75.04460	3.5
79.05451	3.8
81.03421	47.7
81.66089	2.7
83.04977	24.8
84.08133	13.4
85.02905	100.0
86.09698	11.9
87.00828	29.6
87.04475	3.8
91.05477	5.6
93.07037	5.9
95.04976	10.2
95.08582	2.7
97.02893	21.3
97.06525	2.7
98.97560	2.7
99.04472	10.6
103.03947	7.0
105.01863	29.7
105.07022	8.0
107.04945	5.2
109.02881	30.0
109.06496	2.9
111.03855	2.1
111.04452	18.4
113.05973	3.6
119.08608	4.6
120.08104	6.9
121.06538	2.8
123.04417	4.9
123.07965	2.5
125.02347	3.7
125.05986	3.4
127.03909	48.0
129.01837	3.4
129.05487	6.8
129.10231	8.5
129.25011	2.4
133.06517	3.1
135.04428	4.6
137.05997	7.1
139.03882	3.8
141.05481	2.6
145.04942	7.1
145.10120	4.0
147.02850	2.4
147.04398	7.9
147.06476	3.4
147.11674	3.5
151.03944	6.1
151.07620	2.7
154.15086	2.6
157.04987	7.3
159.02898	4.4
161.05980	4.1
163.07535	3.1
163.11171	3.8
171.06532	7.7
177.05400	2.5
181.04991	4.5
183.61617	2.6
187.06012	2.7
189.04002	6.1
191.07027	4.8
213.03894	5.5
231.04999	6.0
237.07533	15.6
249.40680	2.6
255.08749	5.6
273.06116	3.3
292.60782	2.6
315.10617	3.7
341.08728	5.5
377.06439	3.4
395.07455	4.7
395.16049	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	395.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01878	4.4
55.05531	5.4
57.03447	11.3
61.02941	5.1
67.05503	4.8
68.99798	4.4
69.03439	36.4
69.53333	17.2
71.01373	4.0
71.04998	10.2
73.02916	5.0
79.05509	3.0
81.03427	35.0
81.07088	4.3
83.04989	21.4
85.02914	100.0
87.00835	24.7
91.05507	4.2
93.07057	5.5
95.04981	7.5
97.02896	14.9
97.06564	4.3
98.02206	2.1
98.20764	3.6
98.21367	4.6
99.04459	8.8
101.02390	2.2
103.03984	2.7
105.01848	19.0
105.07026	7.0
107.04936	3.8
107.08617	4.8
109.02903	27.3
109.06451	2.4
111.04470	14.1
113.06024	3.2
117.07039	2.6
120.08141	2.3
123.04465	3.9
125.02367	4.9
127.03936	43.1
129.01886	4.5
129.05487	5.7
135.04436	5.5
136.63564	2.3
137.06023	3.7
141.05515	2.9
143.08600	3.1
145.02895	4.5
145.04961	6.1
145.10136	4.0
147.02971	2.6
147.04410	8.0
147.11665	2.8
149.06013	2.6
154.54085	2.3
157.04961	3.9
159.11713	2.8
161.06012	3.2
163.07588	3.1
163.11221	3.6
169.05049	3.9
171.06569	3.6
173.09615	2.8
177.05460	4.6
189.04008	6.2
191.07068	5.4
215.10602	3.8
223.33905	2.1
231.05083	4.0
237.07541	14.3
243.28896	2.3
255.08768	3.4
265.72617	2.4
300.92554	2.5
307.09232	2.5
315.10760	3.3
335.12979	3.0
341.08804	6.5
359.09787	3.4
386.37769	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	395.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
54.89809	2.9
55.01865	3.7
55.05530	3.4
57.03429	13.0
61.02924	4.0
67.05511	7.0
68.99799	5.2
69.03432	39.9
69.17612	33.2
71.04996	11.5
73.02927	3.8
73.05121	3.5
75.04487	6.3
79.05504	4.5
79.42662	3.1
81.03424	42.0
81.07045	4.2
83.04989	19.6
85.02914	100.0
87.00840	29.9
93.07043	8.6
95.04971	10.8
97.02898	16.9
98.20791	7.0
99.04462	12.2
105.01880	28.3
105.07026	6.6
107.04977	4.1
109.02888	28.3
111.04459	14.3
113.05997	4.7
119.05014	4.1
127.03934	50.5
129.01833	6.2
129.05495	9.4
134.53865	3.5
135.04402	4.5
137.05981	4.0
141.05518	3.5
145.02855	4.8
145.04980	8.9
145.10144	7.0
147.04369	4.2
148.74799	3.5
159.11707	4.3
163.11226	8.3
165.05475	4.5
171.06595	6.8
177.05515	9.4
180.37067	3.6
189.04007	6.5
213.03915	6.1
231.04961	6.5
237.07581	11.4
255.08617	4.2
315.10690	6.7
334.98770	3.3
341.08685	5.8
384.60095	3.6
395.14957	4.3
403.24768	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	395.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01878	3.9
55.05511	5.8
57.03421	10.6
61.60229	2.5
67.05505	7.4
68.99759	4.2
69.03434	35.4
69.07062	3.6
70.14719	5.7
70.15111	6.2
71.01363	4.0
71.05000	16.9
73.02921	3.4
75.04483	4.2
79.05480	7.5
81.03428	43.4
81.07049	10.7
83.04978	21.7
85.02910	100.0
86.03217	2.8
87.00843	28.4
87.04470	3.2
91.05479	10.4
93.07027	8.2
95.04964	10.4
95.08607	12.0
97.02919	14.9
98.20860	3.5
99.04451	9.0
103.21118	3.1
105.01885	25.0
105.07016	8.1
107.04962	3.7
107.08598	10.1
109.02898	28.3
109.10156	5.2
111.04437	14.6
119.04948	2.9
119.08603	8.0
121.10138	6.7
122.06118	3.0
123.04427	3.1
127.03925	43.7
129.01816	5.2
129.05479	10.0
131.08598	3.4
133.10133	7.5
135.04439	6.2
135.11679	3.8
137.05984	4.5
145.04944	7.9
145.10123	8.9
147.02856	2.4
147.11737	7.0
149.05975	3.5
149.13231	12.1
157.04953	4.0
159.02943	3.9
159.11749	6.2
161.05986	3.4
161.13278	6.4
163.07489	3.6
163.11153	3.3
169.04967	3.7
179.10547	3.4
185.09731	3.3
189.03970	4.8
189.16356	3.8
191.06966	3.9
203.17964	5.3
205.12386	3.8
213.03789	2.8
215.10732	2.7
231.04977	4.4
237.07562	13.6
255.08582	5.6
341.08752	4.2
349.28998	3.3
395.29361	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.2
55.01869	5.5
55.05501	7.4
57.03421	8.1
60.74034	2.2
61.02928	6.1
65.03912	2.4
67.05494	9.7
68.99780	7.9
69.03433	51.6
69.07056	6.5
71.01347	4.9
71.04993	13.0
71.05545	5.5
73.02917	6.5
79.05499	11.4
81.03421	51.3
81.07075	12.0
83.04980	25.7
85.02908	100.0
85.06540	2.4
87.00841	31.7
91.05481	12.4
93.07065	13.0
95.01384	2.6
95.04970	12.5
95.08605	9.0
97.02901	17.6
97.06516	5.8
99.04467	13.7
103.03919	3.5
105.01875	28.4
105.07042	19.5
107.04949	12.4
107.08617	11.3
109.02890	31.5
109.06474	5.3
109.10152	4.8
111.04476	14.3
113.05995	3.3
115.03899	2.7
117.06988	4.2
119.04941	9.7
119.08559	10.2
121.06494	6.8
121.10143	5.6
123.04478	4.5
125.06011	2.8
127.03922	49.1
128.06213	2.2
129.01862	6.1
129.05513	6.4
131.04970	3.2
131.08556	5.7
133.10124	7.4
135.04401	3.9
135.11748	3.5
137.05969	7.7
139.03851	3.7
141.05505	3.5
143.08609	2.4
145.04958	7.0
145.10115	14.6
147.02831	3.2
147.03290	2.6
147.04431	24.7
147.11665	5.5
149.05952	2.6
149.09641	2.5
149.13202	5.3
151.03883	6.5
153.05490	3.5
157.04926	2.9
157.10162	3.3
159.02893	4.3
159.08075	3.4
159.11703	11.9
161.13220	4.7
163.07571	3.2
163.11282	11.1
171.06543	5.4
171.11659	3.2
183.11711	2.9
187.11209	7.1
189.03929	5.4
191.07034	4.8
191.10617	4.2
193.04942	2.7
205.12247	4.0
211.14714	2.4
213.03954	6.5
215.10640	4.7
215.17931	3.9
231.05032	5.4
233.11751	3.3
237.07533	17.4
255.08694	4.0
255.21083	3.0
273.06107	4.1
315.10614	4.7
341.08514	7.1
395.16812	3.3
395.33289	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75766	0.4
58.06565	0.5
65.80863	0.5
69.03430	0.5
70.06590	2.0
71.50333	0.8
79.65725	0.4
84.08147	3.7
85.02893	0.8
86.09707	1.2
91.05498	0.7
91.85429	0.5
94.33662	0.5
95.08640	0.5
119.04955	0.6
120.08094	1.2
129.10251	2.0
147.04420	0.5
185.04239	5.5
215.07005	0.6
217.04767	1.9
232.07072	11.3
232.09195	0.8
233.07834	10.3
233.10046	0.6
274.10593	0.7
364.11261	2.1
365.12091	0.9
395.13168	100.0
396.13406	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	395.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.4
55.01871	0.6
55.05514	0.7
55.93508	0.4
56.05038	3.6
56.96569	2.6
57.03428	0.6
58.44644	0.4
61.02927	0.6
67.05491	0.7
69.03435	2.3
69.07066	0.5
70.06579	0.8
70.10368	1.2
71.04995	0.5
72.08125	0.4
72.93771	0.4
73.02914	0.7
74.06075	1.1
81.03417	1.0
82.06573	0.7
82.23172	0.3
83.01344	0.5
84.04515	0.7
84.08148	100.0
84.96049	0.6
85.02905	3.8
85.06551	0.7
85.08483	0.7
86.09724	0.4
87.04479	0.9
91.05463	0.8
95.06122	0.7
96.08146	0.4
97.02892	2.7
98.97581	5.1
99.04440	0.8
101.02409	0.8
101.10793	3.3
102.09215	0.7
103.05479	0.7
105.07027	1.7
107.04951	0.8
109.02872	1.7
110.97574	1.4
111.09223	1.2
112.07605	0.8
115.03965	0.8
116.98650	1.6
119.04955	1.0
120.06686	0.7
120.08113	20.0
127.03928	4.6
128.98618	1.2
129.10248	60.1
130.04953	0.4
132.95853	1.1
133.02832	0.3
134.09631	0.4
134.99669	0.4
135.04408	0.6
136.07588	0.4
137.05952	1.6
138.05481	0.7
141.06590	0.7
143.03503	0.4
144.95879	0.5
145.04988	0.8
146.99666	0.6
147.04402	2.7
150.96925	0.5
157.01353	1.0
158.97418	0.9
158.99661	0.9
160.11125	0.5
162.04124	0.5
167.07018	1.1
179.06995	0.6
182.99640	0.3
186.12770	2.8
186.96861	0.9
189.03975	1.6
193.04434	0.6
201.00711	0.6
213.14169	0.5
214.98479	0.5
216.97972	0.5
219.01738	1.9
221.01320	0.5
222.01901	0.4
223.02878	0.5
231.14963	3.9
232.99394	0.4
233.04755	0.4
234.99052	1.0
235.02797	0.4
237.02840	2.1
239.02306	1.4
249.12349	1.4
254.95293	1.0
257.03320	0.7
258.16080	1.9
259.14465	1.7
263.08884	0.4
265.04028	0.5
265.06580	1.5
267.13467	3.1
275.00522	0.8
276.17114	8.3
281.03522	0.5
283.05148	0.4
294.18164	0.6
327.03897	0.4
348.09689	2.5
367.07309	0.4
377.21774	2.2
378.20313	1.1
385.08218	0.5
395.22946	15.6
415.09146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76754	3.8
55.05509	18.4
57.07079	100.0
57.21038	4.6
67.05500	12.0
69.07076	32.8
69.32337	39.3
70.45839	4.5
71.08630	75.7
79.05494	15.8
81.07050	31.5
83.04944	7.1
83.08615	18.6
83.19647	4.0
85.10187	55.8
88.90581	4.1
89.06019	6.4
91.05478	13.8
93.07051	38.4
94.45604	4.2
95.08601	38.8
97.10173	14.1
105.07034	18.6
107.08591	29.2
109.06498	5.5
109.10175	19.8
111.11740	10.9
119.08573	19.0
121.06502	8.3
121.10157	26.7
123.08046	7.7
123.11781	6.1
125.13297	5.6
131.08592	11.6
133.10132	9.6
135.08072	13.5
135.11691	16.2
137.05952	19.9
137.09677	5.9
141.05444	4.8
145.10110	14.0
147.11707	5.6
149.06026	9.7
149.13251	9.3
151.07558	17.3
157.10146	5.3
159.11710	11.4
161.13208	7.2
163.07573	14.8
163.14787	4.4
165.09084	6.9
173.09612	6.1
173.13264	9.3
177.09120	12.1
177.12804	5.8
177.16109	4.4
181.08537	5.9
187.14836	7.4
191.10687	10.5
195.13908	7.4
201.12830	5.4
201.16312	5.5
205.12274	8.1
219.13869	8.3
223.13356	4.6
261.18405	7.5
275.19962	5.3
290.29996	5.1
313.28687	4.7
331.30145	5.2
359.29105	6.2
395.32803	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	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19135	1.5
55.05513	13.5
57.07080	15.6
64.11854	2.2
67.05514	21.3
69.07072	24.9
71.08636	13.5
79.05493	12.6
81.07064	57.1
83.08630	10.1
85.10178	11.8
91.05485	23.4
93.07055	17.4
95.08611	37.7
96.08906	1.9
97.10190	9.9
98.20795	4.0
105.07034	31.6
107.08591	16.2
109.10172	17.2
111.11729	9.1
117.07020	17.7
119.08599	15.3
121.10140	7.9
123.11723	8.6
125.13248	2.6
129.06996	5.3
130.07845	2.5
131.08559	17.8
131.98080	1.8
133.10135	31.9
135.11703	5.8
137.13290	3.8
143.08574	4.8
144.09306	2.1
145.10126	53.8
147.11673	24.9
149.13245	4.7
151.14792	2.1
157.10121	7.7
159.11717	39.7
161.13316	10.6
163.14806	2.3
171.11732	3.4
173.13264	12.8
175.14877	2.3
185.13284	6.0
187.14772	4.4
196.64603	1.8
199.14838	7.9
201.16400	5.5
213.16341	4.2
227.18028	5.2
241.19589	6.1
255.21117	4.0
275.27563	2.0
278.90295	1.7
395.36755	100.0
396.37082	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	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.05514	16.1
57.07081	22.6
65.03935	1.9
67.05508	29.3
67.45167	1.3
69.07071	34.6
71.08638	20.0
71.51534	1.4
71.88915	1.3
79.05493	18.2
81.07060	79.3
83.08154	2.0
83.08623	19.5
85.10196	14.8
86.09744	1.3
89.06067	2.1
91.05487	27.7
93.07049	27.4
95.04993	1.9
95.08615	44.9
97.10175	15.0
105.07038	42.0
107.08605	26.0
109.06576	1.6
109.10161	25.4
111.11721	8.9
115.05484	1.8
117.07027	20.3
117.93503	1.3
119.08589	20.0
121.10164	12.1
123.11718	10.3
125.13261	2.4
129.06989	4.9
130.07788	3.4
131.08582	25.2
133.10139	40.5
135.11725	8.8
137.13271	4.3
142.07797	2.2
143.08597	10.8
144.09335	3.2
145.10129	65.5
147.11696	34.0
149.13277	5.6
151.14784	1.8
155.08542	1.8
157.10132	12.8
158.10786	1.3
159.11697	46.6
160.20180	1.4
161.13272	13.7
163.14871	3.5
167.73840	1.2
171.11725	3.9
173.13290	16.2
175.14836	3.9
177.16414	3.1
177.88730	1.3
179.17996	1.3
185.13280	7.6
187.14856	7.0
189.16345	3.0
199.14815	8.1
201.16449	5.6
203.17998	1.9
213.16365	7.2
215.18030	2.2
227.18053	3.7
229.19612	1.6
241.19460	7.1
247.24312	2.3
255.21040	8.0
275.27426	2.0
283.24191	2.2
287.27362	1.8
297.25778	1.6
299.27420	1.9
301.28766	2.2
313.28772	1.4
395.36768	100.0
396.37137	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	396.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.8
56.05031	5.3
69.03428	3.8
69.07052	7.8
70.06600	42.5
71.04994	10.5
71.50677	5.4
72.08155	9.0
74.06089	15.3
75.59013	3.3
81.03423	4.1
81.07050	12.6
84.08149	34.1
85.02881	10.0
86.09711	33.6
87.10066	4.5
91.05470	10.5
93.07059	7.5
97.02891	6.5
97.06515	4.0
98.09702	4.0
99.04492	3.2
103.05495	7.1
107.08513	7.1
110.07162	10.4
120.08109	46.9
126.95863	3.3
127.03934	6.0
129.10275	18.4
135.11659	16.8
136.07576	5.3
146.05949	6.8
153.12759	100.0
188.07138	8.6
206.08119	23.7
234.07642	3.7
252.08684	4.4
280.99850	5.4
373.04904	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	396.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	4.8
56.05031	5.3
69.03428	3.8
69.07052	7.8
70.06600	42.5
71.04994	10.5
71.50677	5.4
72.08155	9.0
74.06089	15.3
75.59013	3.3
81.03423	4.1
81.07050	12.6
84.08149	34.1
85.02881	10.0
86.09711	33.6
87.10066	4.5
91.05470	10.5
93.07059	7.5
97.02891	6.5
97.06515	4.0
98.09702	4.0
99.04492	3.2
103.05495	7.1
107.08513	7.1
110.07162	10.4
120.08109	46.9
126.95863	3.3
127.03934	6.0
129.10275	18.4
135.11659	16.8
136.07576	5.3
146.05949	6.8
153.12759	100.0
188.07138	8.6
206.08119	23.7
234.07642	3.7
252.08684	4.4
280.99850	5.4
373.04904	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	396.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.8
55.88745	1.9
57.07083	31.7
63.07699	2.4
64.56232	2.1
67.05508	5.0
69.07066	3.1
69.84007	10.7
71.08637	26.8
73.06564	3.9
74.41123	1.8
79.05480	2.8
81.07068	3.8
83.08657	2.8
85.10185	22.5
89.06039	100.0
93.07047	2.8
95.08617	5.1
105.07033	3.1
116.07095	3.0
117.09163	2.5
133.08620	43.2
133.10159	2.6
141.16351	3.9
163.92752	2.5
177.11218	11.1
185.19113	3.1
195.12320	2.8
229.21680	5.6
239.14937	17.6
249.90395	2.3
259.41278	2.1
376.17023	2.2
379.30652	23.3
397.31097	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	397.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93512	3.5
56.94311	4.2
56.96561	3.8
60.04507	2.3
64.11546	2.2
67.38130	2.5
69.03461	2.1
70.06588	9.6
70.95869	4.0
71.50558	2.4
72.93777	11.9
75.40742	2.2
81.03452	4.7
84.08138	8.5
86.09747	2.3
90.94819	8.5
91.05447	2.3
97.02915	2.2
98.97614	10.5
106.24644	2.6
107.04958	59.4
110.07175	6.9
116.98599	3.4
118.81351	2.2
118.97681	2.9
120.08127	12.6
127.03885	2.6
128.96355	6.4
128.98669	2.8
130.97951	2.9
132.95857	27.7
146.97461	2.6
147.04337	2.7
149.02107	11.1
150.96867	11.8
158.97418	3.4
162.98418	6.0
166.98082	3.1
174.96863	6.7
178.97908	100.0
180.99445	5.7
181.96733	2.5
182.97459	3.2
184.95398	3.7
185.04205	2.7
186.49007	2.3
194.97391	10.4
196.98975	54.4
200.94800	3.3
212.98386	4.0
220.98877	12.6
230.95885	4.2
235.06018	3.5
237.02805	4.2
239.00137	4.6
271.04120	6.6
276.97748	22.5
277.00305	5.6
288.97858	21.3
290.97836	3.2
294.99048	6.9
306.99265	3.1
311.07245	5.0
318.98685	3.7
337.00040	43.2
353.08319	13.4
355.01236	2.5
397.07321	57.8
397.11163	50.7
397.21545	3.5
400.43002	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	397.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.9
59.64349	0.6
60.56842	0.6
69.03418	0.8
70.06596	7.8
72.08141	1.7
74.06075	2.3
81.03438	1.0
81.43937	0.6
84.04490	2.7
84.08142	5.4
85.02901	2.3
86.09707	3.0
91.05466	0.9
102.05513	0.7
110.07185	3.9
119.04946	0.9
120.08108	3.3
121.08450	1.7
127.03902	2.2
129.10228	3.1
136.07562	2.1
137.05957	0.7
139.03920	0.8
140.07069	2.0
141.07381	0.8
147.04437	0.8
148.01321	0.8
149.02109	21.1
158.08144	0.6
166.08676	1.3
167.03224	1.0
170.99649	0.6
177.01596	1.1
185.04282	1.9
188.12762	0.8
189.05498	2.3
191.03305	1.0
192.07695	6.6
205.04895	1.7
217.04958	2.1
218.05676	3.7
219.06485	0.9
227.05246	3.4
231.09904	0.7
234.99084	0.8
235.06003	4.8
235.08279	6.2
247.05914	1.8
259.06021	1.9
271.04257	6.4
273.30200	0.7
277.07040	2.0
301.07068	2.2
311.07428	9.1
331.08099	0.7
353.08453	31.0
354.08694	0.7
359.79932	0.8
361.08994	0.9
397.07373	100.0
398.07724	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56414	0.5
55.93541	0.6
56.94323	0.8
57.03447	1.0
59.12903	0.5
61.02920	0.8
61.19037	0.6
61.68533	0.5
66.13504	0.5
68.00317	0.5
69.03426	1.1
70.06607	1.1
70.92068	1.4
72.93790	1.4
85.02904	1.3
90.94875	0.9
97.02878	1.1
98.20842	0.6
98.97607	1.4
101.00901	0.8
109.02882	0.8
111.09682	0.5
114.94838	0.6
116.96400	0.7
126.94839	0.7
127.03947	0.8
128.96378	0.7
132.95845	10.7
140.96376	0.8
144.95824	3.3
149.02119	5.0
150.96880	1.4
155.01920	0.8
157.03566	0.9
158.97389	3.1
168.95900	2.2
170.97391	2.5
174.96878	4.6
175.00717	0.5
179.19763	0.5
185.02969	1.6
185.04398	0.6
186.96906	5.1
198.96902	8.2
204.97940	0.8
205.02048	0.6
210.96887	3.5
216.97881	3.4
226.02507	1.3
228.98045	1.2
234.98987	6.2
235.02905	1.0
235.06570	0.7
271.04370	1.7
277.00055	20.6
289.00159	1.5
294.65628	0.6
307.01343	1.2
307.04996	0.8
311.07391	3.2
316.05609	1.3
337.09937	2.8
353.08389	6.8
367.09766	2.5
397.07660	8.7
397.11307	100.0
398.11655	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	397.111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65430	0.5
61.97696	0.6
62.37881	0.5
70.06598	2.7
71.07052	1.0
72.08142	0.7
84.08126	1.3
102.34526	0.5
107.04900	0.7
112.08696	0.9
120.08078	0.9
127.03913	1.2
129.10214	0.8
149.02110	5.3
163.03922	0.6
169.24994	0.5
175.11925	2.6
201.60735	0.6
225.66376	0.5
227.05322	0.9
234.99023	1.1
235.05875	1.1
271.04184	3.3
276.25229	0.6
276.99643	0.8
311.07391	1.9
353.08423	6.7
397.07648	14.9
397.11395	100.0
398.11420	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61560	0.5
70.06590	1.5
70.69332	1.5
79.28413	0.6
81.03399	0.5
91.18725	0.5
104.66573	0.5
107.04975	2.9
110.07175	1.1
116.07106	0.6
129.10187	0.5
132.95863	1.5
143.33331	0.5
149.02135	1.8
157.66786	0.5
175.11876	1.1
178.97902	5.6
185.04269	0.7
196.99023	2.4
235.05850	2.1
247.96338	0.6
248.96970	0.8
271.04184	0.7
276.97836	1.2
311.07346	0.7
321.43063	0.5
332.76474	0.5
337.00052	1.7
353.08566	2.0
355.00943	0.6
367.10016	5.9
397.11169	100.0
398.11359	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2739
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
51.08032	0.6
53.03951	2.1
55.01871	0.9
55.05509	2.1
65.03958	1.2
67.05505	8.4
69.07069	1.7
69.74040	1.5
69.74435	1.6
71.04995	0.8
74.45643	0.6
78.54772	0.6
79.05495	24.1
80.05852	0.6
81.03429	1.0
81.07060	100.0
83.04952	1.1
83.08642	0.7
85.06541	1.0
87.16789	0.7
91.05479	9.9
93.07059	6.7
95.04987	1.0
95.08609	6.6
97.06545	1.0
98.20818	0.8
99.08057	1.4
103.05485	0.6
105.07032	7.9
107.08596	10.5
109.06522	44.5
109.10186	5.2
109.12298	0.6
111.08118	1.1
117.06998	1.9
119.08588	11.1
121.06506	1.5
121.10158	6.3
123.08074	3.7
123.11658	3.9
125.09625	1.3
129.07008	1.2
131.08577	4.1
133.10133	7.6
135.08058	12.0
135.11667	3.6
137.09668	1.6
141.05519	0.6
141.22997	0.6
142.07758	1.0
143.08594	3.0
145.10121	7.2
147.11696	4.2
149.09631	3.9
149.13217	1.2
151.07573	0.8
151.11215	1.4
155.08568	0.7
156.09375	1.3
157.10123	4.9
158.11037	0.8
159.11717	8.0
161.09612	1.6
161.13255	3.2
163.11223	2.0
163.14798	1.0
165.12773	1.4
169.10114	2.3
171.11685	3.5
173.09627	0.9
173.13300	4.6
175.11176	2.1
175.14809	1.6
177.12805	2.6
179.10690	2.0
181.10170	0.8
183.11771	2.0
185.13286	3.9
187.11192	0.7
187.14845	4.9
189.12773	2.7
189.16409	1.0
191.14345	1.5
197.13283	2.1
197.14938	0.8
199.14865	2.3
201.12718	3.0
201.16425	1.8
203.14381	3.6
205.15941	2.3
211.14867	0.9
213.16440	2.2
215.14391	2.6
215.17792	0.7
219.17409	1.1
223.14844	1.0
225.16402	1.2
227.14261	1.3
227.17989	2.4
229.19513	2.7
231.17451	3.4
243.17503	1.2
243.21097	1.2
245.19048	4.3
247.20575	1.0
253.19522	1.1
259.20560	1.8
271.20663	6.2
287.20038	1.2
289.21643	12.2
290.22134	0.8
309.22192	0.7
335.23822	1.4
337.25296	2.4
353.24854	2.3
355.26471	0.9
361.25516	1.0
367.26324	1.0
379.26227	9.4
397.27399	66.8
398.27625	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3104
Annotation	delta-Tocotrienol
Peak:m/z	Relative Intensity
53.03933	2.3
55.05517	16.9
57.07082	3.8
67.05511	20.0
69.07076	13.8
69.47855	11.4
71.05003	2.5
78.32128	1.6
79.05493	18.4
81.07063	62.0
83.04970	3.8
83.08623	5.8
85.06545	18.3
86.07950	1.8
91.05479	14.3
93.07049	37.8
95.04970	1.9
95.08615	46.7
97.06569	3.6
97.10153	3.7
99.04446	7.7
100.00433	1.8
101.06013	3.8
105.07040	42.9
107.08604	53.9
109.06499	6.7
109.10162	24.1
115.64743	2.1
117.07026	5.7
119.07807	3.5
119.08597	38.2
121.06544	1.9
121.10159	36.9
123.08044	2.8
123.11707	10.7
127.07541	9.5
129.07021	5.2
131.08575	15.0
133.10143	29.9
135.11702	17.2
141.09108	1.9
142.07764	3.0
143.08556	14.5
145.10133	25.6
147.11703	25.2
149.02307	2.1
149.09624	4.7
149.13289	22.2
156.09369	2.7
157.10124	16.5
159.11717	42.7
161.13283	20.0
163.14862	10.6
167.10681	7.6
169.10088	3.4
171.11716	16.0
173.13278	25.3
175.11212	2.4
175.14822	11.2
177.16463	2.4
181.12328	1.9
183.11653	3.2
185.13240	11.2
187.14816	20.3
189.16403	13.3
191.17952	3.3
195.13890	2.1
199.14854	13.3
201.00504	1.8
201.16386	10.3
203.17982	8.5
211.14818	3.1
213.16374	18.7
215.17940	10.4
217.19635	3.8
225.16364	2.7
227.17958	17.2
229.19585	8.3
233.15408	3.6
235.17027	2.5
241.19589	6.1
243.21057	2.8
249.18596	2.4
253.19646	2.0
255.21161	6.9
257.22668	7.4
269.22681	6.8
272.52554	1.8
273.18329	2.1
275.20163	2.3
283.24292	11.0
287.20181	5.0
297.26065	2.4
341.24704	3.4
379.30029	4.9
397.31042	100.0
398.31482	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	397.3468
Annotation	Ergosta-8,14,24(28)-trien-3beta-ol
Peak:m/z	Relative Intensity
54.24434	2.1
55.04649	2.6
55.05512	16.0
55.11504	2.2
56.34424	2.4
57.07066	8.7
58.46211	2.6
59.50351	2.3
67.05511	28.8
69.07069	33.4
71.04983	4.3
71.51626	2.9
72.04529	8.5
79.05480	18.7
81.07064	54.9
83.08628	12.1
85.06551	7.8
86.09720	13.0
91.05474	19.5
93.07047	44.9
95.08615	76.9
97.10167	8.4
99.08095	6.9
105.07034	33.4
105.07687	3.5
107.08594	54.6
107.09306	3.8
109.10164	49.7
113.09631	12.4
117.07013	6.5
119.08587	47.6
121.10155	50.9
123.11696	24.1
131.08562	16.8
133.10126	38.7
135.11728	28.2
137.13290	6.6
139.11166	4.4
143.08554	6.8
144.09351	2.6
145.10135	30.9
147.11690	29.5
147.13550	2.8
149.13275	31.3
156.09305	2.5
157.10146	9.4
159.11696	29.7
161.13272	30.9
163.14850	20.4
169.10210	2.6
171.11731	10.0
173.13283	25.0
175.14867	17.7
177.12659	2.9
177.16376	7.8
182.31044	2.9
185.13220	5.2
187.14827	17.3
189.16393	17.6
191.18089	3.3
197.13232	3.9
199.14865	7.5
201.16364	16.5
203.17993	15.2
213.16429	8.4
215.17937	16.2
217.19580	11.1
227.17940	6.3
229.19545	11.5
231.21146	3.7
239.17963	3.4
241.19489	6.2
243.21169	7.3
243.70250	2.2
245.22746	4.2
255.21063	4.6
257.22714	8.2
261.21909	2.7
267.21176	4.3
269.22864	4.5
271.24237	14.0
285.25711	2.7
287.13736	2.4
301.25662	3.2
309.25900	2.9
323.27353	2.6
327.26959	4.0
339.30438	5.4
341.28479	7.3
379.33829	14.7
397.26065	5.2
397.34714	100.0
398.35043	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.4
57.07076	7.0
67.05515	21.2
69.07072	28.0
69.45365	3.9
69.45770	15.0
71.04993	4.1
71.08630	4.9
79.05502	13.6
81.07060	62.7
83.08634	12.3
85.06552	4.5
86.09711	100.0
86.10242	4.7
91.05476	14.6
93.07052	35.6
95.08619	52.3
97.10178	5.2
99.08108	7.5
105.07047	25.2
107.08603	30.6
109.10174	30.2
111.11748	4.4
113.09654	5.2
117.07040	6.0
119.08595	29.9
121.10141	31.4
123.11703	14.0
129.06993	3.4
131.08562	10.3
133.10146	19.6
135.11705	16.9
137.13281	6.2
143.08568	4.6
145.10107	14.2
147.11667	16.3
149.13261	11.8
151.11238	3.7
157.10176	9.5
158.11023	2.4
159.11705	21.5
161.13289	16.1
163.14856	7.4
171.11664	9.2
173.11969	2.4
173.13239	14.2
175.14867	10.8
177.16431	3.9
183.11620	2.8
185.13348	4.1
187.14867	12.2
189.16354	5.1
199.14847	4.0
201.16415	10.1
203.17947	5.0
215.17966	6.5
217.19589	4.9
227.17990	3.8
229.19479	4.5
241.19646	3.3
243.21172	2.8
245.18848	3.2
255.21091	3.3
257.22769	3.6
271.24121	3.4
273.22253	2.8
323.27359	4.3
324.32574	4.3
339.30685	3.7
352.31934	5.5
379.33731	15.0
397.34735	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	397.3468
Annotation	CHEBI:70316
Peak:m/z	Relative Intensity
50.78989	3.9
52.66652	3.1
55.05518	22.9
57.07074	6.3
59.27686	3.5
67.05519	36.0
69.06799	3.0
69.07081	37.7
70.64581	7.2
70.64920	5.4
71.04999	5.1
79.05491	25.1
81.07059	97.5
83.08628	11.5
85.06525	4.8
88.11258	6.0
91.05497	28.4
93.07049	63.3
95.08617	100.0
97.10167	10.8
98.21135	4.0
99.08142	3.2
105.07033	52.0
106.62069	3.6
107.08607	77.7
109.10161	81.1
111.11757	5.9
113.09663	10.3
116.02763	3.0
117.07009	5.4
119.07811	4.7
119.08588	50.4
121.10146	68.6
123.11719	25.6
131.08572	18.4
133.10138	41.8
135.11702	47.2
137.13261	12.0
139.11133	4.5
143.08531	7.6
145.10136	27.5
147.11699	39.6
149.13287	37.7
151.14857	5.5
157.10146	7.7
159.11699	33.6
161.13289	37.4
163.14824	25.9
168.85394	3.2
171.11656	7.2
173.13287	24.9
175.14772	26.6
177.16426	17.9
177.17711	3.4
179.14336	3.4
185.13289	9.2
187.14825	22.2
189.16377	23.7
191.17972	4.7
199.14900	8.0
201.16388	21.2
203.17982	28.4
210.02342	3.1
213.16438	10.9
215.17961	13.0
217.19531	12.4
227.17969	7.3
229.19524	14.1
231.21031	14.7
233.46626	3.0
241.19588	6.6
243.21085	6.4
245.22716	5.6
249.07452	3.1
255.21118	8.9
257.22583	5.2
259.56293	4.0
269.22586	8.0
271.24219	14.0
283.24240	4.5
287.23871	3.9
301.25220	4.5
302.34097	3.1
315.26590	3.6
323.27484	5.1
339.30579	6.7
376.44211	3.3
379.33618	18.0
397.34888	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	398.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.0
53.05201	0.9
57.03421	2.5
61.02918	2.3
68.22644	0.8
69.03426	9.0
70.06590	4.9
71.04989	0.9
71.50283	1.0
73.02901	1.8
81.03415	5.1
84.04504	1.3
84.08132	2.9
85.02906	18.5
86.06043	1.0
86.09708	1.0
87.04462	1.9
87.99643	0.8
88.99190	0.9
91.03972	1.0
91.05508	1.0
97.02898	5.3
99.04449	1.8
103.03866	1.0
103.05457	2.0
108.12331	0.9
109.02888	2.3
110.07165	3.0
111.68433	0.9
127.03900	2.7
129.10289	1.5
131.04915	4.0
131.07303	1.3
132.08102	2.5
136.07593	1.2
137.65021	0.9
145.04984	2.3
148.05278	1.1
154.06496	1.3
159.06792	11.4
160.07584	4.1
161.56255	1.1
162.05519	1.2
163.07443	0.9
169.56705	1.2
170.06030	3.1
172.07578	30.2
174.05540	1.1
188.07076	66.4
189.07463	2.2
200.07095	15.8
218.08136	20.9
236.09187	100.0
237.09529	2.5
287.05591	1.3
318.62946	1.0
361.02213	1.6
398.07587	2.2
398.14636	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	398.9762
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	7.3
69.23531	0.8
69.23938	2.9
71.95258	2.4
71.98509	0.4
82.97507	0.3
97.02895	2.1
98.97588	86.8
99.97928	0.5
101.00858	0.4
116.98627	43.2
119.01932	1.1
126.64343	0.3
130.93260	0.6
134.99663	12.3
138.83328	0.3
140.00214	1.0
153.00735	1.2
172.94315	3.7
177.00948	1.1
178.00987	0.4
179.00781	0.5
190.95410	3.2
197.95067	0.5
208.96463	0.8
214.95360	2.4
217.68767	0.4
219.02008	1.4
220.02179	0.5
221.01932	0.6
232.96486	7.9
233.97231	0.4
240.98761	0.4
250.97548	2.6
256.96436	16.5
258.99863	4.1
261.00189	0.6
261.03046	4.0
262.03232	1.2
263.02969	1.6
264.02917	0.5
266.81567	0.4
272.94443	0.6
274.97519	100.0
275.97906	1.0
276.98114	0.6
277.00885	3.4
283.00040	4.7
284.00183	0.7
284.99860	1.4
292.98575	43.6
297.99115	2.6
298.97696	0.5
301.01056	4.1
302.01410	0.7
303.00848	1.3
304.01068	0.5
316.00156	0.8
316.98920	1.0
357.03864	0.5
374.99347	0.5
380.96857	2.1
381.93372	0.6
394.91354	0.4
398.93692	0.5
398.97876	5.9
416.98691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
53.47116	0.4
55.01872	4.2
55.05490	0.7
55.08894	0.5
55.89165	0.4
57.03443	2.5
59.04996	0.5
61.02929	1.0
63.76680	0.5
65.03930	2.8
67.01852	0.8
67.05515	2.5
68.99437	0.9
68.99783	7.2
69.03448	2.8
69.07043	0.6
69.97308	2.0
70.06612	2.4
71.04991	0.5
71.08614	0.4
72.08158	0.6
77.03938	0.5
79.01875	1.0
79.05497	2.7
80.59649	0.4
81.01788	0.4
81.03440	2.2
81.07052	1.5
83.04971	0.6
84.08143	1.3
85.02909	10.2
86.09696	2.3
91.05483	5.8
92.99776	0.8
93.03400	2.6
93.07034	0.9
95.01318	0.8
95.04977	5.0
95.08627	0.6
97.02901	4.8
99.00804	0.5
103.05467	1.7
105.03391	1.5
105.07020	1.4
107.01309	0.5
107.04960	5.5
107.08597	0.4
109.02887	2.9
109.06530	0.8
109.10141	0.8
110.07182	0.6
111.00802	2.0
111.04446	1.0
115.05463	1.0
116.07088	0.6
119.04957	6.7
119.08579	1.2
121.02874	54.4
121.06531	3.7
121.10164	0.8
123.00811	1.4
123.04432	6.3
123.08034	1.0
127.03922	0.9
129.10234	1.0
131.04955	2.5
133.02838	1.5
133.10165	0.9
135.04413	4.1
137.02357	1.7
137.05962	1.1
141.01831	3.0
141.05530	0.8
145.02925	1.0
145.10133	0.8
147.04416	17.1
147.11829	0.5
149.02361	1.5
149.05980	1.6
151.03899	1.8
153.01820	6.4
159.04419	1.0
161.02336	2.1
161.05968	0.5
163.00244	2.0
163.03920	8.9
165.01843	81.6
173.02394	0.7
174.03229	0.4
175.03896	6.0
177.01828	7.3
177.05446	2.4
178.99796	2.3
179.03394	3.5
181.04900	1.0
183.02896	25.4
187.03912	5.4
189.01834	20.4
189.05472	0.6
190.99791	3.3
191.03403	20.4
193.01332	2.7
193.04993	5.7
195.02911	2.0
197.00810	1.8
202.02618	1.7
203.03406	10.1
205.01385	1.3
205.04991	9.1
207.02933	6.1
209.00893	3.8
209.04443	2.6
215.03398	7.8
217.01331	3.7
217.04987	0.6
219.02902	13.3
219.06381	0.8
219.17471	0.8
220.03569	0.6
221.04419	1.2
229.15657	0.5
231.02893	100.0
232.03271	1.8
233.04460	8.3
235.02448	0.9
237.03908	0.8
237.07578	9.6
243.02893	8.1
249.03954	36.3
250.04387	0.6
251.05447	1.1
255.06499	0.6
257.04422	1.3
261.03961	34.4
262.04123	0.5
273.07660	2.0
279.01855	0.6
279.02734	0.3
279.04993	19.3
285.07581	52.8
286.07919	1.0
297.08038	2.6
309.07602	3.6
311.05591	2.3
311.08942	0.7
313.07190	0.8
335.08920	0.6
339.08673	6.2
351.08652	59.2
352.09070	1.3
353.10254	0.6
363.08505	2.2
369.09641	3.8
381.09680	8.8
397.02408	0.6
399.10703	11.9
399.15747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60930	0.5
66.33992	0.5
69.03411	1.1
70.86685	1.3
72.93831	0.6
92.85373	0.6
97.02889	2.0
98.97595	1.0
99.30441	0.6
101.35282	0.6
107.25103	0.5
136.06204	3.3
211.07277	1.1
250.09435	1.4
274.18390	0.5
276.16507	0.5
399.12659	100.0
400.12772	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	399.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57199	0.5
71.50227	0.9
75.96237	0.4
83.96140	0.5
85.02935	0.6
97.02902	1.9
98.97564	1.1
102.05544	0.9
110.97597	0.5
131.02621	0.5
136.06213	1.9
136.38837	0.5
146.65472	0.6
219.01778	0.6
228.05717	0.6
250.09433	2.3
279.03757	0.7
381.11603	1.8
399.12650	100.0
400.12875	2.8
403.01559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.9
55.01851	3.0
57.03430	7.8
61.02917	3.0
69.03424	9.3
69.40479	5.5
69.40898	6.4
70.06574	6.2
72.08146	3.3
75.04484	2.0
81.03405	6.0
84.08147	3.4
85.02911	24.9
86.09693	2.8
97.02903	9.3
99.04490	1.4
103.03976	3.3
103.04803	2.6
103.05472	49.7
105.07036	1.9
107.04938	1.5
109.02865	5.0
109.22335	1.4
110.07121	1.5
115.05426	1.8
119.04975	2.1
121.02837	1.4
124.59709	1.6
125.05947	1.4
127.03889	7.0
131.04939	94.2
136.06209	1.6
145.04933	2.3
147.04385	2.6
148.05203	13.5
149.05791	2.1
151.03912	1.7
161.05986	9.6
163.07549	41.2
165.01778	4.3
167.03380	2.1
175.07568	3.5
177.05467	2.3
189.05469	16.9
192.04156	1.6
193.04918	3.5
203.07095	8.5
205.04985	53.7
206.05699	6.0
213.05536	1.9
215.06993	2.3
217.04941	18.1
217.08282	1.8
219.06534	1.6
227.07097	3.0
229.05008	3.6
230.05531	2.0
231.02896	2.8
231.06543	24.6
235.06018	35.2
237.07565	6.3
237.11276	3.0
243.06636	3.0
245.08066	8.0
249.07596	100.0
255.06535	4.5
257.08081	3.4
259.06027	4.4
261.07565	6.0
271.06000	6.6
273.07596	2.4
275.09061	5.9
279.08640	71.5
283.06009	5.2
285.07700	2.3
289.10672	10.2
299.09113	2.4
301.07022	3.2
303.08664	46.7
315.08612	11.3
317.10043	3.6
327.08615	13.6
333.09714	26.8
345.09720	21.7
363.10815	23.1
381.11853	15.6
399.12622	7.6
415.79398	1.5
423.87210	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1288
Annotation	CHEBI:67970
Peak:m/z	Relative Intensity
69.96307	5.4
70.06600	2.6
75.62200	1.7
79.01883	2.0
81.03445	1.8
81.11763	1.6
84.08115	1.8
85.02912	3.2
97.02877	1.9
103.05481	4.7
105.06985	1.8
109.02943	2.3
112.84756	1.5
114.99798	1.5
116.41255	1.4
131.04901	7.2
147.04439	3.1
151.03951	1.4
158.73216	1.4
161.05984	2.9
163.03920	4.5
163.07562	4.1
165.01862	3.3
165.05446	7.9
175.07545	8.8
177.05460	4.4
178.06294	8.9
181.04938	5.8
189.05496	4.3
193.05008	4.0
201.09113	3.7
205.04977	100.0
206.05748	43.5
207.06454	2.5
213.05435	1.6
217.04965	23.9
219.06532	17.9
223.80760	1.4
229.05026	2.2
230.05724	3.9
231.06534	10.2
233.04480	6.8
235.06020	96.8
243.02861	5.6
245.04353	1.8
245.08121	30.1
247.06059	5.8
249.07610	18.2
259.06052	20.6
261.03940	3.8
261.07681	7.8
265.07123	3.9
273.07587	9.0
277.06827	2.1
279.08627	40.8
289.07129	21.3
301.07114	14.1
303.08603	14.3
309.09680	2.4
319.08215	14.2
327.08502	2.5
333.09805	10.0
337.09097	13.9
345.09570	8.7
355.10425	2.0
363.10779	26.0
381.11832	39.7
399.12860	91.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.129
Annotation	Cnidioside B
Peak:m/z	Relative Intensity
56.05043	0.3
67.01859	1.1
68.99786	0.4
69.03428	0.5
69.38394	0.3
69.85982	0.5
69.86375	0.9
70.06590	1.4
72.08137	0.7
77.74616	0.3
84.08109	0.9
85.02897	0.9
86.09682	1.3
86.72423	0.3
91.05478	0.6
95.04907	0.3
97.02888	0.7
97.06528	0.3
98.20818	0.4
107.04940	0.5
109.06521	0.6
116.07076	0.3
119.04943	0.9
120.08077	0.3
123.04442	0.3
125.05991	1.1
127.03926	0.8
129.10204	0.8
136.06209	0.5
137.05984	3.8
147.04387	1.3
151.03961	0.6
153.01837	2.6
163.04047	0.4
165.05479	0.5
169.04950	0.4
175.03789	0.3
187.49727	0.3
192.65401	0.3
193.04977	71.4
194.05293	0.7
219.06525	5.6
237.07593	100.0
238.07855	1.6
250.09262	0.3
260.57034	0.3
287.68222	0.3
300.39493	0.3
377.15457	0.3
399.12531	0.4
399.16928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58113	1.1
53.03923	1.4
55.01854	1.9
57.03437	3.7
61.02913	1.4
67.01849	2.8
69.03419	4.8
70.90289	3.0
72.66901	1.4
81.03401	2.8
85.02921	14.0
97.02893	5.2
103.03972	2.4
103.05469	22.3
105.06994	1.5
109.02878	4.3
115.05463	1.3
116.86421	1.1
127.03944	3.1
131.04933	45.9
133.06467	1.4
145.04979	2.0
148.05214	5.1
151.03940	3.7
156.00444	1.2
157.06538	1.5
161.06013	7.6
163.07552	18.9
165.01901	6.1
175.03859	1.4
175.07520	2.1
176.22263	1.1
177.01859	1.4
177.05470	1.9
189.05502	17.2
189.07130	2.2
193.04955	3.6
203.03374	1.8
203.07060	9.1
205.04985	49.2
206.05727	5.9
215.07007	1.8
217.04974	18.6
217.08525	2.4
227.07010	3.5
229.04967	2.7
230.05710	1.5
231.02942	1.8
231.06557	27.3
235.03764	2.5
235.06033	34.1
237.07555	5.7
243.06535	4.5
245.08107	10.1
249.07607	100.0
250.08311	1.4
255.06537	4.1
259.06055	7.0
261.07611	8.4
263.08926	1.5
271.06018	5.2
273.07666	1.9
275.09116	9.2
277.07129	1.9
279.08661	66.6
280.08939	2.3
283.06018	3.7
289.10678	9.8
301.07028	4.0
303.08667	52.2
315.08594	11.9
317.10251	2.4
327.08655	11.5
333.09711	29.1
345.09747	23.8
363.10770	23.4
381.11917	13.8
399.12830	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	399.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.2
57.03408	5.2
61.02924	6.2
67.05509	8.0
69.03439	19.2
69.07078	5.6
69.53492	22.1
71.05000	9.7
71.15675	3.2
73.02923	8.1
79.05505	8.5
81.03417	10.9
81.07069	17.9
83.04968	7.2
83.08627	4.7
84.08145	5.8
85.02917	18.5
85.06544	5.4
91.05484	13.5
93.07043	14.9
95.04977	5.5
95.08604	10.9
96.12737	3.6
97.02898	100.0
97.06560	4.5
99.04470	5.5
99.08099	4.2
103.03963	7.2
103.05496	6.0
103.80899	3.7
105.07026	24.8
107.04964	5.6
107.08621	10.4
107.61507	4.4
109.02885	9.2
109.10174	10.4
111.04429	4.5
119.03452	5.7
119.04967	3.6
119.08588	13.9
121.06516	10.6
121.10142	11.9
123.11671	4.4
125.09629	6.8
127.03899	4.2
127.07589	3.9
128.58559	4.2
131.04980	4.7
131.08583	4.6
133.10132	18.6
137.05978	12.2
137.09674	5.0
138.87292	4.2
143.10712	4.0
145.06534	4.4
145.10162	6.3
147.11731	11.0
149.05992	13.0
149.13292	4.8
151.07585	5.5
159.11679	4.6
159.76424	4.0
161.06000	71.7
163.07620	4.7
165.06969	4.0
167.07054	8.8
173.13307	4.7
175.07506	7.8
179.08553	7.3
187.11237	4.0
191.06917	5.2
191.08595	5.2
194.07283	5.0
201.09230	5.0
203.08641	4.4
207.08081	5.4
208.08931	8.2
209.09608	10.6
211.07578	13.2
218.07278	4.8
219.08118	6.1
219.17490	7.8
221.09647	4.5
223.07558	7.2
223.11224	4.8
224.08424	8.7
225.09077	12.0
226.09924	7.3
227.07045	6.8
231.08070	6.1
232.08925	6.1
233.09668	12.1
234.10361	5.5
235.07562	17.4
236.08278	8.4
237.09052	19.3
238.09828	9.7
239.07068	16.4
239.10721	13.9
240.07788	6.8
241.08679	9.0
242.09474	11.6
243.10231	5.5
246.06956	5.4
247.07549	8.0
247.11272	5.9
248.08342	5.8
248.12270	4.2
249.09038	19.4
250.09859	8.5
251.07086	11.0
251.10670	19.0
253.08649	22.0
254.09477	11.1
255.10194	6.8
257.08026	9.2
257.11798	13.0
259.07452	6.8
261.09073	19.5
262.06339	7.5
262.09897	11.0
263.07062	12.3
263.10648	12.9
264.07843	8.0
264.11514	6.6
265.08667	10.4
265.12302	15.1
266.09399	34.6
267.06732	8.1
267.10162	15.8
268.11188	6.3
269.08142	14.0
269.11783	10.7
270.08963	13.6
271.09677	30.5
272.10455	91.3
274.10001	8.9
275.10611	19.1
276.07614	7.0
276.11353	5.1
277.08627	16.5
277.11517	5.2
278.09335	21.6
279.10199	34.8
279.13757	11.7
280.10947	8.4
281.08160	31.9
281.11749	21.3
282.08923	31.1
283.09677	23.0
285.11212	91.9
289.12195	6.9
290.09393	11.9
291.10062	26.8
292.07718	7.4
292.10971	20.1
293.08145	14.0
293.11758	43.7
294.08795	27.8
295.09586	21.0
296.10452	7.9
297.11285	46.3
303.10251	10.6
304.10779	5.6
305.08502	7.1
305.11847	11.0
306.08969	8.6
306.12302	4.6
307.09613	16.7
307.13324	31.1
308.10550	4.9
309.11209	77.3
310.08374	10.7
310.11810	9.2
311.12820	23.8
317.11783	13.1
320.10446	8.2
321.11252	43.9
322.11765	18.8
323.12866	11.9
325.10727	52.1
325.14392	6.4
327.12448	18.5
331.09570	5.3
332.10538	5.7
333.11243	7.1
335.12833	43.0
337.10779	10.0
339.12274	44.1
340.13083	4.4
345.11313	4.5
351.12451	20.0
353.13922	29.5
363.12158	33.8
368.12314	5.7
369.13345	22.3
371.14844	5.3
381.13348	33.6
399.14554	72.2
399.19467	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	399.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46216	0.6
53.03936	1.9
57.03438	6.8
61.02919	2.9
69.03430	9.1
69.48479	3.2
69.48886	1.6
69.77177	0.6
71.04972	1.7
73.02900	1.4
75.04484	1.0
77.03922	0.6
81.03420	4.7
85.02911	23.2
87.04462	0.9
91.03960	1.3
97.02905	8.3
98.20787	1.5
99.04450	1.6
101.36137	0.7
102.04675	1.4
103.03969	2.9
103.05474	50.0
105.07033	1.2
107.04925	1.0
109.02883	3.5
117.05524	1.2
127.03941	6.8
130.04120	1.2
131.04936	100.0
133.06458	0.8
145.04990	3.1
148.05197	12.2
151.03928	1.0
161.06024	4.2
162.06769	1.1
163.07550	45.7
172.67281	0.7
175.07584	1.6
189.05556	2.2
201.09160	1.8
205.04944	6.1
206.05782	1.0
217.05061	1.8
219.10339	1.0
231.06537	2.8
235.05981	3.3
237.07582	0.8
237.11232	2.0
245.08206	0.8
249.07588	10.7
261.07614	0.9
271.05841	0.7
279.08618	7.7
289.10846	1.0
303.08603	5.3
315.08682	1.2
327.08374	1.0
333.09567	3.9
345.09784	2.0
363.10776	2.7
381.11679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	9.6
57.07089	2.6
67.05515	11.4
69.03430	2.8
69.07072	4.8
70.06579	1.8
71.51319	2.1
71.96146	1.4
73.85347	1.7
77.22200	1.5
79.05491	5.8
81.07059	16.0
83.04997	2.9
83.08621	1.7
85.06550	4.3
88.07629	5.1
91.05483	7.3
93.07047	9.8
95.04977	1.7
95.08620	24.8
97.06579	1.7
99.04456	6.2
101.06020	3.3
102.09149	1.9
105.07042	17.0
107.08625	7.6
109.06512	2.5
109.10157	12.0
111.04454	4.1
119.08587	11.9
121.06524	2.9
121.10175	9.7
123.08081	10.9
123.11730	3.5
131.08574	4.5
133.10164	12.8
135.08041	5.5
135.11676	3.6
137.05943	2.2
142.21571	1.5
143.08626	3.6
145.10173	3.7
147.11702	5.1
149.09589	1.6
149.13168	2.5
151.07561	100.0
157.10147	3.0
158.07616	1.6
159.08188	1.8
159.11685	3.5
161.09613	2.7
161.13364	1.7
163.11205	2.7
165.09131	5.6
165.12878	1.9
171.11835	1.9
173.09624	3.2
175.07523	1.8
175.11182	5.0
176.08217	3.5
177.09091	5.9
181.12231	2.1
183.11710	1.8
188.08437	2.4
189.09109	10.5
190.09869	1.7
191.10690	41.1
193.12297	6.9
203.10707	9.2
205.12265	16.4
208.64841	1.9
215.10675	3.3
217.12344	3.0
229.12267	5.2
231.13776	1.9
235.16968	2.2
235.43723	1.7
243.17638	1.6
249.18285	1.6
257.15295	3.0
261.18558	4.2
275.06870	1.5
285.18469	4.2
289.14444	1.9
381.24216	5.1
387.65851	1.8
399.25040	16.7
399.36710	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	399.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.0
53.03935	2.5
55.05514	16.7
57.07050	6.1
59.04986	2.3
64.48074	2.1
67.05508	24.4
69.07072	16.9
71.04990	2.1
71.08614	2.6
75.07919	2.2
79.05498	28.8
81.07061	100.0
83.04987	3.7
83.08586	9.2
85.06516	5.9
85.10175	2.5
91.05489	27.7
93.07053	38.5
95.04955	4.2
95.08611	67.0
97.06512	2.3
97.10126	4.3
99.61839	1.9
101.06004	3.7
105.06433	3.5
105.07037	37.3
107.07896	2.8
107.08600	45.8
109.06532	30.3
109.09489	2.9
109.10164	39.8
117.06981	10.3
119.07840	3.4
119.08591	41.2
121.06480	3.2
121.10146	40.5
123.08015	4.3
123.11733	13.7
128.06219	3.5
129.06955	3.1
131.08591	23.7
133.10139	42.6
135.08037	12.3
135.11696	33.0
137.09541	3.8
137.13231	4.7
143.08507	8.0
145.10124	19.8
147.08080	3.3
147.11690	22.1
149.09653	10.2
149.13263	19.7
151.11104	6.6
157.10100	6.6
159.11705	16.5
161.09637	17.5
161.13283	16.3
163.11090	3.4
163.14743	7.2
169.10014	2.6
171.11601	6.1
173.09526	4.8
173.13237	13.0
175.11128	9.9
175.14822	11.5
177.12648	5.8
177.16261	5.4
179.10649	2.7
183.11678	3.5
185.13211	8.5
187.11111	4.1
187.14725	8.5
189.12703	2.4
189.16402	21.0
191.10408	3.2
191.14134	3.9
191.17963	21.1
193.12161	4.1
195.13768	4.5
197.13242	4.2
199.14758	9.3
201.12646	4.8
201.16324	8.2
203.14259	3.1
203.18007	10.3
207.13683	3.4
209.15291	5.7
211.14828	2.2
213.16275	4.0
215.14163	3.3
215.17857	8.8
217.19405	7.5
225.16356	3.8
227.14264	3.1
227.17862	4.8
229.19426	6.0
241.19467	3.5
243.13654	2.3
243.20921	4.6
255.21088	3.8
257.22687	2.9
261.18326	3.7
273.22037	5.2
293.90335	2.2
337.25098	4.2
353.28247	3.8
355.26453	5.3
363.26822	10.7
363.30557	2.9
381.27673	28.1
381.31570	4.2
399.20346	4.5
399.28568	80.8
399.32556	11.6
400.29016	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	399.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.9
53.97287	4.0
55.05518	21.6
57.07077	12.9
64.78458	3.4
67.05509	42.9
69.03452	3.6
69.07079	26.9
70.27776	3.8
71.05018	5.7
71.08650	6.0
71.52277	5.3
72.04507	6.4
79.05489	30.0
79.74489	4.2
81.07059	100.0
81.22385	3.3
83.04974	5.4
83.08626	13.5
85.06553	15.4
87.04488	5.1
91.05484	28.9
91.50550	3.6
93.07050	63.5
95.05010	6.2
95.08059	7.3
95.08617	77.1
97.06544	5.6
97.10157	7.7
99.04441	6.1
101.06038	5.5
105.07027	43.1
107.08600	62.7
109.06522	5.6
109.10174	45.1
111.08080	9.0
113.05998	4.9
117.07066	6.0
119.08582	51.4
121.10121	39.7
123.11742	24.1
125.09612	10.7
129.06996	4.3
131.08594	16.5
133.10133	39.9
134.26950	3.6
135.11685	21.6
137.13329	4.0
143.08566	6.1
145.10126	26.9
146.10745	4.5
146.77510	3.9
147.11700	31.2
149.13251	25.6
151.11163	5.0
157.10129	18.8
158.10864	4.1
159.11696	28.7
161.13257	24.4
163.14841	11.6
169.10071	4.5
169.58012	3.6
171.11720	13.3
173.13287	18.9
175.14827	15.7
176.80966	4.1
177.12773	7.4
177.16531	4.2
183.11617	4.5
185.13274	10.2
187.14804	9.1
189.16411	12.4
199.14854	6.3
201.16365	10.0
203.17987	4.9
213.16336	5.0
215.18025	7.9
217.19467	8.6
227.18018	7.6
243.21260	4.1
253.19427	7.0
285.25980	4.4
289.21652	7.3
363.30600	6.4
381.31546	30.0
399.32056	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80174	2.6
51.25284	2.7
52.55867	2.8
53.03934	4.8
55.01863	2.7
55.05515	25.6
57.07069	12.1
67.05512	41.1
69.03423	9.1
69.07067	31.8
71.04980	5.5
71.08629	3.4
71.27264	6.2
76.91815	2.6
79.05492	32.3
81.07064	100.0
83.04974	4.3
83.08607	12.2
85.06544	23.7
91.05485	30.0
93.06479	5.0
93.07045	70.1
93.35509	2.8
95.04958	4.5
95.08612	86.9
97.06523	5.9
97.10159	7.8
98.99140	2.8
99.04380	2.9
105.07037	52.4
107.08604	72.7
109.06532	7.0
109.10166	50.5
111.08070	10.6
111.11720	4.1
112.72591	2.7
113.05999	3.0
117.07054	6.9
119.08588	53.6
121.10149	58.5
123.11688	22.7
125.09612	15.5
129.06970	6.0
131.08588	22.5
132.84801	3.1
133.10130	42.4
135.11693	30.4
137.09543	3.6
137.13287	5.7
139.11147	8.3
143.08563	8.4
144.09299	2.8
145.10162	25.2
147.11714	32.2
149.13243	35.7
151.11200	7.0
153.12753	4.1
157.10112	11.1
159.11705	30.5
161.13255	30.3
163.14813	16.3
169.10197	4.4
169.12289	4.4
171.11679	10.2
173.13240	21.8
175.14845	16.6
177.16389	7.8
178.81476	3.4
183.11598	4.3
185.13240	7.7
187.14827	11.2
189.16422	14.6
190.08849	2.7
191.14096	3.1
197.13278	4.6
199.14822	9.6
201.16396	9.9
202.07434	2.7
203.17891	9.6
211.14830	6.3
213.16391	10.6
215.18027	10.4
217.15819	3.4
217.19444	15.4
225.16499	4.4
227.17897	4.9
229.19606	6.7
243.21179	3.2
255.21205	6.2
269.22748	3.7
271.24249	9.2
304.55621	3.2
323.27249	3.8
344.67426	3.0
363.30508	9.8
381.31549	37.6
399.32483	68.8
399.43768	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	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74753	2.4
53.03936	4.3
55.05521	15.6
57.07058	9.2
63.35796	2.6
67.05507	36.4
67.12880	2.5
69.03407	8.0
69.07078	26.0
69.51797	6.4
69.52197	16.3
71.04980	3.4
76.66081	2.3
77.03895	3.1
77.64851	2.3
79.05497	25.2
81.06606	5.0
81.07060	93.6
83.05003	4.1
83.08615	12.6
85.06544	24.3
85.10173	2.8
88.72967	2.7
91.05491	24.8
93.06499	4.6
93.07052	71.6
95.04961	3.9
95.08616	80.5
97.06509	7.7
97.10155	4.0
98.21532	2.6
99.08063	3.9
101.06013	4.6
105.06408	3.4
105.07045	51.1
107.08610	62.6
109.06507	6.5
109.10165	42.8
110.70036	2.6
111.08068	7.1
111.11709	3.1
111.12492	2.5
113.05978	8.2
117.07003	7.0
119.07813	4.9
119.08583	51.0
121.10152	51.1
123.08051	5.7
123.11730	21.6
125.09603	11.3
127.07572	2.8
129.07040	3.8
131.08598	19.8
133.10130	42.2
135.11700	32.0
137.09618	3.6
137.13208	7.7
139.11157	4.7
141.09045	3.2
142.07681	3.1
143.08560	10.5
144.09332	3.2
145.10107	23.7
145.52859	2.7
147.11708	31.1
149.13272	24.9
151.11113	5.0
154.68665	2.5
155.08531	3.9
156.09381	2.9
157.10129	15.4
159.11707	33.0
161.13284	30.2
163.11205	3.8
163.14798	15.0
171.11684	10.6
173.13228	15.7
175.14842	17.8
177.16359	3.9
183.11732	5.7
185.13229	6.6
187.14793	11.6
189.16351	11.3
191.17929	3.7
199.14839	7.5
201.16377	7.9
203.17862	6.4
213.16301	7.0
215.17949	10.0
217.19478	9.1
227.17947	7.5
229.19461	4.3
231.17430	3.0
239.18019	3.9
241.19438	3.8
253.19623	2.8
269.22531	6.0
271.24213	5.0
283.24310	3.6
306.30820	3.0
353.10208	2.7
362.45743	3.0
363.30344	6.4
381.27594	2.8
381.31665	26.9
399.21814	4.1
399.31345	100.0
400.32053	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	401.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	5.7
61.19445	1.2
61.72691	1.3
62.38000	1.3
69.92307	2.8
69.92706	2.6
98.21436	1.5
98.97591	100.0
116.97827	2.7
116.98624	37.4
134.99652	9.5
136.25783	1.3
140.00211	1.5
172.94353	2.6
190.63596	1.2
214.95393	1.5
216.98930	1.5
219.02007	1.8
232.96544	2.2
240.98685	3.7
256.96539	5.6
258.99802	46.5
259.99997	2.9
261.02979	2.5
274.97519	35.1
275.97894	1.8
276.97549	5.3
277.00809	40.3
278.01068	3.3
279.00717	1.4
282.99957	8.3
284.90808	1.5
284.99835	2.7
292.98532	12.3
301.01041	5.8
301.21872	1.4
303.01038	1.8
316.98584	1.5
340.98474	1.3
358.99673	1.4
363.03317	1.4
382.99747	5.0
401.01096	11.6
418.98077	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.93526	0.6
56.94303	1.6
56.96561	2.1
57.27818	0.4
67.36208	0.4
69.03421	1.1
69.68781	1.5
69.69189	1.1
70.06595	0.9
70.95867	1.1
72.08140	0.5
72.93796	2.0
79.05469	1.2
79.53413	0.5
81.03393	0.8
82.68713	0.5
84.86266	0.5
84.96028	1.0
85.02903	1.4
86.95338	0.6
97.02917	0.9
98.97586	7.7
105.04547	0.5
107.04963	100.0
108.05305	1.8
110.97577	4.1
116.98624	1.1
126.94735	0.7
128.96446	0.7
128.98619	1.6
130.08650	0.6
131.00214	0.8
132.95848	5.4
143.00194	0.7
144.95786	2.8
150.96866	1.1
156.03378	0.8
158.97427	4.1
158.99646	1.0
162.97130	0.8
162.98392	3.6
166.97897	0.8
168.95854	1.3
174.96935	2.5
176.98431	1.4
177.00096	1.8
178.97911	12.1
180.99527	1.3
181.98863	0.8
186.04411	2.1
186.96922	2.1
194.97440	1.8
196.98997	4.9
198.96928	1.6
199.99892	0.7
201.00699	0.6
206.97394	1.3
210.96944	1.6
216.97987	1.8
216.99759	0.7
219.01775	4.8
220.99008	10.5
232.98953	7.1
234.98996	7.9
237.02852	4.6
238.99959	1.1
247.00594	1.2
248.98233	0.5
251.00046	1.0
263.00070	1.5
265.01605	1.5
275.00168	1.0
277.00101	3.8
305.01254	1.6
323.02170	21.1
359.06479	2.0
401.07993	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	401.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.93536	1.5
56.05032	1.4
56.96569	24.4
59.66718	1.4
69.03436	4.8
70.06603	10.1
70.74854	2.3
70.95881	1.9
72.08152	9.4
72.93784	2.4
73.02911	1.3
73.99729	1.1
77.42264	1.1
79.05502	2.2
81.03410	2.0
84.04548	1.3
84.08150	6.8
84.96039	9.5
85.02912	4.7
86.09705	5.1
95.04956	1.3
97.02893	3.6
97.47842	1.2
98.97588	77.9
99.97886	1.3
107.04961	100.0
109.02917	2.0
110.97575	37.3
110.98346	2.0
112.99153	4.9
115.68272	1.3
116.07105	4.0
116.98623	21.4
124.99141	2.3
127.03944	2.1
128.98616	28.3
129.10216	3.7
131.00148	3.9
132.95839	8.1
134.99701	2.8
140.98589	3.1
143.00227	6.8
144.95845	3.9
144.98074	2.0
146.99664	8.4
147.04434	2.4
149.01268	1.5
158.97415	4.5
158.99680	7.6
161.01210	5.4
162.96927	1.6
162.98349	2.2
163.97818	3.1
167.07011	3.3
169.06181	1.3
170.99651	7.5
174.96869	2.6
174.99165	1.4
175.11934	1.5
176.98526	2.5
177.00778	6.4
178.97897	9.7
179.02324	1.8
181.98886	11.8
186.96907	2.7
189.00772	5.3
194.97394	2.9
196.99004	4.6
199.99957	12.2
201.00653	7.6
210.96973	2.2
210.99113	1.8
211.02811	1.9
212.98456	1.7
215.02145	2.0
216.97914	2.0
219.01775	54.8
220.99051	9.1
229.00182	3.9
230.06227	1.7
232.98979	5.0
234.98962	8.1
237.02835	71.9
238.03214	1.5
247.00739	2.5
255.03874	2.3
257.03329	3.8
259.99927	4.1
269.03296	2.5
274.99850	2.8
277.00061	5.1
278.01016	4.9
281.03510	2.5
293.03479	3.1
299.04230	1.5
305.01263	2.1
323.02054	19.3
326.03070	4.8
341.05515	10.8
344.03796	1.7
359.06525	31.5
360.06863	1.5
401.07739	32.8
401.13104	3.0
401.28741	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	401.158
Annotation	CHEMBL1821994
Peak:m/z	Relative Intensity
53.03935	1.7
55.01850	1.5
55.05509	1.4
57.03441	1.1
69.25552	11.7
70.06600	17.9
71.23097	1.5
72.08150	4.0
72.54502	1.5
78.89290	1.1
79.05488	2.9
81.03423	2.0
84.04476	2.4
84.08131	3.6
85.02917	2.1
86.09711	13.1
91.05490	2.6
93.07047	2.3
97.06513	1.9
98.20794	2.8
103.05476	1.6
105.07065	1.5
107.04956	8.4
107.08582	1.3
112.08747	1.6
116.98375	1.3
117.07058	1.6
119.08636	1.3
120.08078	1.8
123.04433	2.7
129.10268	2.5
131.04955	1.6
131.08577	1.2
143.11882	2.3
149.05954	1.8
167.07066	11.4
170.06035	2.5
170.14911	1.4
177.05379	1.2
181.04961	3.2
191.07104	1.7
205.08501	2.4
208.05339	1.7
217.08694	1.7
219.08182	2.4
219.10181	1.3
221.06114	1.4
225.17181	1.8
247.07475	1.4
247.09763	2.1
269.08246	2.8
279.10147	1.6
282.49139	1.2
291.10172	2.6
295.09570	1.3
315.08704	5.3
330.10880	6.5
339.40131	1.4
343.11816	2.4
351.12393	3.5
383.15164	6.7
398.76852	1.3
401.15775	100.0
401.28586	5.2
402.16321	2.1
406.76254	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03970	1.4
53.85328	1.4
54.90309	1.4
55.01874	2.0
57.03458	2.6
67.01846	2.3
69.03434	100.0
69.90839	7.0
75.62334	1.6
83.04964	1.8
85.02909	4.2
101.06030	1.6
107.04983	2.2
111.04442	4.9
129.07111	1.4
156.05627	1.5
161.05974	9.4
165.07024	5.0
166.07787	1.9
167.07120	3.2
179.08583	3.2
181.06529	1.6
188.08388	2.1
194.07314	3.2
195.08018	3.1
196.08974	2.2
197.09671	2.8
199.07558	2.0
199.98730	1.5
207.08102	3.0
208.08856	3.2
209.06091	2.0
209.09654	7.1
210.06755	2.0
211.07570	10.6
212.08298	4.8
214.09923	2.2
221.05984	2.0
223.07527	3.8
224.08385	4.8
225.09091	6.2
226.09875	14.1
227.06989	8.4
227.10599	4.8
228.07869	3.2
229.08658	2.3
233.09486	1.7
235.07550	6.0
236.08366	1.9
237.09093	17.5
238.06316	3.7
238.09821	3.2
239.07048	6.5
239.10683	6.6
240.07881	4.9
241.08594	5.6
241.12138	2.6
242.09396	18.3
243.10184	6.0
247.07588	3.2
248.08348	2.7
249.09163	3.4
250.09834	2.8
251.07036	4.7
251.10703	4.2
253.08580	8.9
254.09366	3.4
255.10204	7.9
257.08069	2.8
257.11740	29.6
261.09079	5.9
262.10089	1.9
263.06866	2.2
263.10822	2.2
264.07593	3.4
265.08636	9.5
265.12207	4.1
266.09348	13.6
267.06531	3.2
267.10156	7.3
268.10730	1.7
269.08066	5.8
269.11624	8.4
270.08914	3.0
271.09723	15.6
272.10428	20.1
273.08676	2.5
273.09537	2.2
273.11404	12.5
275.07251	1.8
275.10522	1.8
276.07980	2.5
276.11041	1.7
277.08682	3.0
277.12091	2.1
278.09479	2.0
279.10123	5.8
280.10904	2.0
281.08099	8.1
281.11624	4.4
282.08875	10.0
283.09723	17.7
284.10403	5.5
285.11221	81.3
286.11578	3.1
289.08572	3.1
290.09320	1.8
291.10147	17.8
292.10831	3.7
293.08218	2.3
293.11700	5.8
294.08862	4.1
294.12341	1.6
295.09702	9.9
295.12869	2.1
296.10349	1.5
297.11212	31.8
299.12729	3.4
305.11786	5.4
306.08987	2.4
307.09705	9.0
308.10349	4.8
309.11285	15.4
310.08508	2.2
311.12634	4.7
315.12387	9.0
319.09662	4.4
319.13272	6.0
321.11224	10.2
322.12021	5.8
323.12735	20.2
325.10718	7.1
326.11533	3.1
327.12317	8.7
333.11203	2.5
334.12039	7.6
337.14413	7.9
339.12250	11.2
347.12842	5.2
351.12479	2.0
352.13412	1.8
365.13864	80.6
366.14346	2.1
383.14984	9.0
401.15436	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.7
53.57736	1.7
55.01864	2.9
55.69791	2.0
69.37840	3.5
69.38247	11.1
70.06566	2.1
76.34792	1.6
78.04659	1.9
79.05499	19.0
81.07053	2.2
91.02488	1.6
91.05473	5.6
93.04032	1.8
93.07056	1.9
95.04983	2.9
95.80552	1.8
105.06982	2.2
106.43434	1.6
107.04958	35.4
115.05452	3.9
116.06215	4.5
117.06989	4.9
122.03786	2.0
123.04430	5.7
124.05210	8.6
125.06011	1.8
127.05536	1.6
128.06190	6.0
129.07001	7.3
131.04913	2.2
131.08585	11.3
132.05695	2.7
137.05949	2.9
138.04749	1.9
141.06964	5.3
144.05690	8.4
145.06500	6.4
146.03558	2.3
151.03925	2.1
152.04689	3.3
153.05544	3.0
156.05705	17.3
157.06465	5.7
159.08063	15.5
159.42467	1.8
161.06003	3.3
163.03876	2.3
165.06998	2.2
167.07043	100.0
169.06474	2.4
172.05235	2.0
173.05981	3.5
179.07104	2.5
181.06427	2.3
184.05199	5.0
186.06795	5.2
187.07559	11.7
189.06999	3.8
190.06261	3.0
193.06575	3.0
193.08482	2.1
195.06520	4.6
202.06209	8.2
202.07800	3.0
203.06927	1.8
203.08588	4.4
205.06665	2.8
205.08588	13.6
207.06480	7.8
208.05193	25.3
209.07976	2.0
210.06735	2.8
211.07426	2.2
215.08739	2.4
217.08597	48.3
218.07272	5.6
219.08054	14.7
219.10214	5.8
220.08806	6.6
221.05937	5.9
222.06778	2.3
223.07417	2.2
226.06201	2.7
229.08704	4.1
231.08046	8.6
231.10118	3.5
232.08836	3.5
233.06010	3.9
233.09657	5.5
234.06783	2.3
235.07613	4.4
236.04695	8.4
236.08319	4.3
238.06126	4.3
240.04253	2.2
245.09604	3.5
247.07504	15.2
247.09683	21.3
248.08255	12.4
249.05399	2.8
249.09009	3.9
250.06184	2.9
251.10500	2.0
253.08511	2.0
254.05791	11.2
255.06583	3.0
257.04364	2.5
259.07523	4.1
260.08295	4.9
261.09085	5.4
262.09909	4.5
263.07074	4.7
263.10645	10.7
264.07776	6.2
265.08652	7.0
266.05621	2.1
267.06540	8.3
269.08081	26.8
271.09683	8.4
272.06830	3.2
275.07004	7.3
276.07816	7.6
277.08585	5.5
278.09500	2.2
279.10062	10.1
281.08130	3.2
281.11533	2.2
282.05463	3.8
282.08875	14.9
285.07492	2.1
290.09473	5.0
291.10098	16.8
292.07260	6.4
292.10690	4.0
293.08118	11.9
299.09045	7.7
300.06592	2.5
300.09793	2.3
301.07303	3.2
304.07483	2.5
305.08157	5.0
305.11557	2.7
306.08691	2.3
307.09579	11.3
308.10388	6.5
310.08344	7.9
311.12668	3.2
313.07184	2.3
314.07684	2.1
315.08615	71.2
316.09064	3.1
319.09644	8.1
321.07538	4.9
321.11145	2.8
323.12683	14.8
325.10535	3.3
328.09457	5.4
330.10962	82.2
331.11710	15.6
336.09982	5.6
337.10672	7.4
339.12225	8.7
343.11816	20.4
351.12314	28.2
352.13141	4.0
353.10236	5.7
356.12579	3.1
368.12476	9.8
369.13116	2.5
371.14847	6.0
383.14880	67.2
401.15979	16.1
402.15854	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
53.65702	1.4
55.01876	3.1
55.05508	1.6
57.03424	3.0
57.07060	2.4
63.43770	1.4
65.03933	2.1
67.05489	5.1
69.03425	5.2
69.07069	2.8
70.06594	2.8
71.04993	2.0
72.88494	1.7
79.05497	16.0
81.03402	4.3
81.07059	15.3
83.04970	2.2
85.02898	4.3
86.09708	2.0
87.00832	2.5
91.05488	10.3
93.07041	5.7
94.04185	1.7
95.04983	3.9
95.08616	8.7
95.75240	1.5
97.02886	6.3
97.06524	1.7
99.66459	1.5
101.02410	8.8
105.07026	5.0
107.04965	34.3
107.08595	5.2
107.47195	1.7
109.02885	4.8
109.10155	4.1
111.04449	2.6
115.05437	5.8
116.06254	3.2
117.07025	3.5
119.03422	18.1
119.04937	1.9
121.06490	3.0
123.04427	4.9
124.05246	3.8
125.86582	1.6
127.03918	5.0
128.06256	3.7
129.06990	6.7
131.04965	1.8
131.08588	10.2
132.05701	2.1
133.06508	1.7
135.04550	1.5
137.05939	4.2
139.05545	1.5
139.07532	1.9
141.07068	3.9
144.05704	7.2
145.04973	2.7
145.06487	6.4
147.04425	2.1
149.06058	2.7
151.03960	2.7
151.07541	2.2
152.04726	2.6
156.05711	16.0
157.06439	3.5
159.08055	15.0
161.06029	3.9
163.03925	3.7
165.05544	2.5
165.07013	3.7
167.07057	100.0
168.05618	2.0
169.07614	3.6
170.07301	1.7
171.07951	1.7
172.05211	2.0
173.05969	5.5
175.07571	2.7
177.05479	3.7
178.51991	1.5
179.07115	3.3
181.04973	4.5
181.08533	3.8
184.05212	2.2
186.06670	3.4
187.07544	10.6
190.06226	2.2
190.07713	3.2
191.07022	3.7
191.08578	2.8
193.08548	2.0
194.07440	1.5
195.06453	4.9
195.08092	2.0
202.06216	5.2
202.07896	3.4
203.08614	4.5
204.07875	3.0
205.06755	3.1
205.08598	14.7
207.06488	4.1
207.08206	3.1
208.05186	19.7
209.07922	2.1
210.06651	2.0
211.07591	2.2
217.08604	33.8
218.07300	3.7
219.08061	11.9
219.10197	4.1
220.08818	4.1
221.06094	7.5
225.05507	1.5
227.06979	2.4
229.08562	5.5
230.07298	2.6
231.08015	8.7
231.10106	2.7
232.08879	3.5
233.09599	5.2
234.06772	3.8
234.10385	1.6
235.07521	3.3
236.04715	8.2
236.08282	4.0
237.09166	3.0
238.06366	2.7
239.07132	2.5
241.08743	2.9
245.06471	2.5
245.09601	2.6
246.06712	2.2
246.39879	1.6
247.07504	13.4
247.09702	20.2
248.08405	10.5
249.05516	5.9
249.09065	5.2
250.06288	2.4
251.06926	2.2
251.10721	2.4
253.08522	2.8
254.05798	8.9
255.06561	2.6
256.07275	2.5
257.04440	2.3
258.06876	2.6
259.07578	4.2
260.08295	2.5
261.09103	4.9
262.06302	2.3
262.09854	4.3
263.07098	7.9
263.10602	10.0
264.07660	7.3
265.08478	4.6
266.05658	2.8
267.06476	8.4
268.03729	1.6
269.08057	24.4
271.09784	7.7
272.06808	5.1
275.06967	6.9
276.07919	9.9
277.08566	6.2
278.05762	1.7
278.09323	2.4
279.10037	7.6
280.11017	3.2
281.08029	3.5
282.05530	3.3
282.08859	18.1
283.05969	2.3
286.06473	1.6
289.08575	2.8
290.09360	3.8
291.10162	16.0
292.07251	5.5
292.10742	3.2
293.08136	10.4
294.08917	2.8
295.09521	2.1
299.09064	4.1
300.06274	2.8
301.06973	3.4
304.07449	2.4
305.08044	4.8
307.09482	13.1
308.10339	7.4
309.11325	2.0
310.08322	5.8
311.12799	2.2
313.07141	2.1
315.08627	76.3
316.09268	4.2
319.09555	6.5
321.07602	2.7
322.11987	2.8
323.09286	2.7
323.12720	18.2
324.10083	2.8
325.10684	3.0
328.09497	4.6
330.10980	96.1
331.11700	12.9
335.08972	2.1
336.09912	5.0
337.10773	9.8
339.12314	8.3
343.11798	22.9
350.11249	3.0
351.12369	29.0
352.13007	5.2
353.10272	7.5
355.13916	2.3
356.12515	2.4
368.12631	8.8
369.13373	4.4
371.15005	4.5
383.14926	63.3
401.16034	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	401.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.05492	2.2
65.03935	3.2
67.05519	3.1
67.51160	1.8
69.03440	2.3
69.56159	9.0
69.56572	3.0
70.06595	3.4
78.04697	2.9
79.05502	17.1
81.07053	5.2
91.05492	10.7
93.07040	5.7
95.04956	7.1
95.08608	3.3
97.06497	2.4
103.05470	4.3
105.07011	7.6
106.04153	3.2
107.04961	38.1
107.08589	2.5
109.06493	3.9
115.05450	5.1
116.06188	2.1
117.07005	5.3
119.08571	4.6
121.06488	3.8
123.04436	6.2
124.05213	5.1
125.05964	2.5
128.06197	3.2
129.07018	9.3
131.04927	5.6
131.08562	12.3
133.06473	4.3
137.05936	4.1
141.06970	6.0
144.05742	8.9
145.06465	8.5
148.05205	2.5
149.05989	3.0
151.03906	7.3
151.07559	2.3
152.04753	3.9
153.05504	4.9
156.05719	16.2
157.06506	4.0
158.07320	2.6
159.08046	20.7
161.06032	4.6
163.03926	3.9
165.06961	2.4
167.07037	100.0
173.05960	5.8
175.07538	3.2
177.05391	3.5
179.07103	2.7
181.04956	10.4
181.06424	3.4
181.08653	3.2
184.05202	7.3
186.06773	4.7
187.07518	13.0
189.05441	4.0
191.06978	4.6
191.08545	3.2
193.08601	2.5
195.06491	3.1
197.05954	1.9
202.06201	4.6
202.07845	3.9
203.06937	2.3
203.08583	4.7
205.06676	3.0
205.08582	12.7
207.06505	6.5
208.05188	21.0
208.08812	3.6
210.06779	2.5
215.06813	2.2
215.08597	2.1
217.08594	42.3
218.07254	4.0
218.09120	2.4
219.08051	12.4
219.10133	4.1
220.08900	2.2
221.05986	7.1
227.06989	2.4
229.08597	4.0
230.07298	2.8
231.08017	9.4
231.10098	3.0
232.08794	4.0
233.06027	2.8
233.09596	5.0
234.06729	4.7
235.07552	5.0
236.04623	5.4
236.08397	4.2
238.06198	2.5
239.07008	2.2
240.04082	2.4
244.07417	1.9
245.09557	4.4
246.06709	2.5
247.07497	12.0
247.09676	20.9
248.08315	11.5
249.05415	3.5
249.09111	4.0
250.06302	2.5
251.10736	3.1
253.08521	2.3
254.05730	7.3
255.06555	2.3
256.07306	2.6
257.04367	2.5
259.07419	3.9
261.09082	4.1
262.09772	3.9
263.07077	5.2
263.10611	9.7
264.07797	8.5
265.08597	6.3
267.06543	7.5
269.08090	20.6
271.09641	8.9
272.06857	5.1
275.06998	8.3
276.07901	8.7
277.05725	1.7
277.08633	8.2
279.10156	8.6
281.08099	2.4
282.05804	3.2
282.08853	14.4
285.07645	3.7
290.09317	5.3
291.10098	17.4
292.07147	4.9
292.10681	2.2
293.08167	10.8
293.11142	2.5
295.09439	2.3
299.09222	4.8
300.06039	3.4
300.09549	1.9
301.07178	2.2
304.07114	2.3
305.07980	4.4
307.09613	12.2
308.10443	7.2
309.07663	2.0
309.11023	2.5
310.08240	8.0
311.12579	3.3
313.10794	2.1
315.08606	63.5
316.09293	2.7
319.09543	7.2
320.10284	2.8
321.07642	4.2
321.11200	2.5
323.09235	3.0
323.12769	14.8
325.10718	3.0
328.09451	3.3
330.10947	70.8
331.11630	12.0
335.09177	2.4
336.09946	6.1
337.10672	7.0
338.07709	2.1
339.12195	8.1
341.10233	3.5
343.11700	17.5
351.12274	25.5
352.12863	4.0
353.10175	6.7
356.12494	3.0
368.12567	7.7
369.13196	4.0
371.14844	5.0
373.12607	2.9
383.14880	59.3
401.16357	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	401.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.3
64.75641	2.2
65.03944	2.7
70.62701	3.5
70.63041	5.4
78.04728	2.9
79.05489	14.2
81.07046	4.2
91.05483	10.1
95.04986	3.6
101.27673	2.4
103.05491	3.7
105.07051	3.4
106.04163	2.5
107.04959	32.3
115.05445	6.8
116.06226	2.5
117.07020	3.4
121.06590	4.0
122.03686	3.4
123.04446	6.7
124.05233	7.8
128.06235	3.3
129.07022	7.0
131.04910	3.0
131.08557	8.7
132.05742	2.2
137.06000	7.1
141.07043	3.0
144.05713	10.2
145.06496	5.5
151.03902	6.3
151.07478	2.9
152.04637	3.2
153.05489	5.0
156.05701	19.8
157.06528	3.6
158.07256	2.5
159.08070	16.0
163.03914	4.8
165.05556	2.3
165.06920	3.4
167.05646	5.2
167.07048	100.0
173.05989	5.7
175.07620	3.6
179.07033	2.8
181.04973	9.4
184.05232	4.3
186.06741	2.8
187.07555	12.5
190.06290	3.1
191.07048	4.8
191.08624	4.4
193.06595	2.9
193.08659	3.4
201.09175	3.4
202.06215	6.0
202.07883	3.3
205.06674	4.5
205.08629	13.9
207.06491	6.6
208.05190	16.7
210.06761	3.6
211.07498	3.7
217.08621	39.8
218.07172	4.7
219.08020	9.8
219.10046	4.4
220.08914	3.7
221.05943	7.3
229.08684	5.9
231.08076	6.6
232.08981	3.9
233.09737	4.1
234.35660	2.8
235.07462	4.3
236.04678	6.6
236.08289	3.2
237.05540	2.6
237.09006	3.4
241.05087	2.9
242.78239	2.4
245.09521	4.2
247.07516	14.2
247.09709	21.6
248.08221	11.9
249.05428	3.9
249.09117	4.5
253.08546	2.4
254.05960	5.9
257.15359	2.4
261.09171	5.8
262.10110	4.2
263.10587	7.5
264.07819	6.1
265.08545	5.5
267.06528	8.4
268.07108	2.7
269.08142	18.8
271.09692	6.8
275.07016	5.6
276.07858	9.2
277.08530	6.0
278.09061	2.8
279.07086	2.3
279.10248	8.3
281.08127	3.9
282.05408	4.7
282.08884	17.4
285.07538	2.8
290.09372	5.6
291.10184	15.3
292.07251	4.3
293.08066	8.6
295.09537	4.5
299.09152	6.0
300.06583	2.9
301.07123	4.1
305.07986	3.2
307.09586	12.1
308.10306	5.0
310.08350	7.7
311.12421	4.1
315.08615	55.2
319.09552	12.1
323.12796	16.5
328.09387	4.8
330.10989	75.1
331.11618	10.5
335.09235	3.3
336.09927	6.1
337.10657	3.8
339.12274	11.1
343.11823	17.0
351.12274	28.7
352.13144	4.1
353.10330	6.1
368.12506	8.3
369.13309	3.3
371.14969	6.0
373.12949	5.5
383.14914	58.4
401.11386	3.7
401.16312	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	401.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98864	1.6
53.03945	2.3
55.01880	3.0
55.05517	2.3
60.24279	1.8
63.39472	1.6
65.03926	2.8
69.03422	9.0
69.07066	2.1
69.59649	1.7
69.91496	10.8
70.06570	2.8
79.05494	18.7
81.03421	3.9
81.07067	5.9
83.04951	1.9
85.02901	3.9
91.05459	9.2
93.07030	2.7
95.04971	5.9
95.08636	5.6
97.06522	2.2
98.20975	3.5
103.05480	4.0
105.04541	2.0
105.07027	6.9
107.04968	32.9
107.08572	1.9
111.08128	2.8
115.05466	5.9
116.06240	4.4
117.07034	5.8
119.08601	2.8
121.06530	3.0
122.03596	1.9
123.04454	7.2
123.08080	2.5
124.05233	9.9
125.06064	2.7
128.06236	6.2
129.07037	9.2
131.04913	1.9
131.08556	12.2
132.05777	1.9
133.06500	2.6
135.04433	2.5
137.05984	4.2
141.06975	6.9
143.08604	2.2
144.05710	6.8
145.06502	8.5
145.10135	2.3
146.03648	1.9
146.84491	1.8
147.04366	2.6
147.11681	2.3
151.03894	2.8
151.07553	4.5
152.04692	4.5
153.05481	3.4
156.05717	17.6
157.06464	5.8
158.07301	2.7
159.08063	18.8
161.06000	5.9
161.09633	1.9
163.03912	4.6
165.07094	3.0
167.07050	100.0
168.07452	2.3
169.06456	3.2
170.07411	2.0
172.05135	2.2
173.06015	6.6
177.05531	3.4
181.04974	6.9
181.08632	3.3
182.07263	2.2
184.05177	5.1
186.06776	3.5
187.07571	10.3
190.07890	2.9
191.07019	4.0
191.08574	4.2
193.06560	2.7
193.08534	2.5
195.06567	4.5
195.08153	2.4
197.06026	2.7
201.09142	3.0
202.06232	6.6
202.07872	5.0
203.06923	2.2
203.08615	4.0
204.07869	2.6
205.06705	3.5
205.08658	15.5
207.06526	6.6
207.08229	2.8
208.05246	20.2
208.08949	2.2
210.06776	3.6
211.07484	4.6
214.06306	2.4
215.06889	2.8
217.08597	42.5
218.07346	5.3
218.09430	2.2
219.08090	13.9
219.10193	7.9
220.08917	5.8
221.06026	9.6
229.08640	4.3
231.08083	8.0
231.10130	3.9
232.08965	2.1
233.09592	5.6
234.06888	3.2
235.07527	5.3
236.04759	5.8
236.08339	5.0
237.09311	3.2
239.07095	5.3
245.09694	3.8
246.06567	2.0
247.07515	13.1
247.09723	21.9
248.08369	12.9
249.05431	5.1
249.09087	4.2
251.10742	3.8
253.08569	2.2
254.05818	7.5
255.06546	3.5
259.07523	4.0
261.09094	5.9
262.09937	4.3
263.07129	3.3
263.10712	8.9
264.07813	7.3
265.08627	7.0
266.05750	3.0
267.06534	8.5
269.08017	17.7
271.06421	2.6
271.09668	8.2
272.06760	3.3
275.07040	7.2
276.07809	10.4
277.08600	7.7
279.10330	9.2
281.08334	2.7
282.05511	3.6
282.08887	17.1
283.09482	3.3
285.07803	2.9
285.11258	5.0
287.09503	2.3
289.08481	2.7
290.09390	5.7
291.10019	14.3
292.07343	4.2
292.10620	2.3
293.08139	13.1
295.09637	3.2
296.10388	3.7
297.11169	3.6
299.09146	3.5
301.07260	2.4
305.08041	3.6
307.09781	10.6
308.10394	5.9
309.11206	3.0
310.08304	8.9
311.12787	3.5
315.08643	66.3
316.09378	2.2
319.09576	9.0
320.10431	2.1
321.07678	5.2
321.11191	2.2
322.08557	3.7
322.11816	3.1
323.09183	3.9
323.12692	19.1
325.10837	3.8
328.09384	6.6
330.10989	68.3
331.11658	10.6
336.09970	6.0
337.10800	7.8
338.07819	3.0
339.12326	10.6
343.11780	18.6
350.11591	2.4
351.12283	23.8
352.13028	5.1
353.10187	6.0
356.12613	2.5
365.13831	3.7
368.12610	6.0
369.13278	3.4
371.14874	5.9
372.73026	2.3
383.14917	64.7
401.16046	18.1
401.28052	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	12.5
70.89321	4.0
70.89649	8.5
72.08168	8.9
78.04708	5.2
79.05484	14.6
84.08169	7.5
86.09715	13.2
91.05495	7.2
103.93670	4.0
107.04958	38.1
112.08717	4.9
115.05492	5.3
117.07027	4.4
121.02889	5.2
123.04396	5.2
124.05241	10.6
129.07060	10.5
131.08574	10.9
131.87758	3.6
144.05707	8.5
145.06558	7.2
149.06017	4.2
156.05708	14.7
159.08081	14.1
161.06000	4.6
165.01851	5.0
166.02295	4.4
167.07065	100.0
175.07506	4.0
181.04916	6.4
181.08658	4.8
186.06711	4.3
187.07564	9.4
191.08586	5.7
202.06213	9.3
205.06857	4.4
205.08641	14.9
207.06468	6.4
208.05145	19.3
217.08632	43.3
219.08072	14.4
219.10109	5.6
221.06017	7.2
231.08115	6.8
232.03394	4.8
233.05849	4.8
233.09727	6.1
235.07413	6.1
236.04659	5.0
236.08237	6.7
239.06805	4.8
246.07114	4.3
247.07507	11.5
247.09737	23.1
248.08295	12.1
249.09193	7.5
254.05685	10.1
255.06230	4.8
259.07608	4.2
261.09073	4.2
263.07245	6.9
263.10663	10.0
264.07962	5.2
265.08673	4.0
267.06516	8.6
269.08112	23.1
271.09668	9.3
275.06998	8.1
276.07779	12.5
277.08502	4.6
279.10016	9.9
282.05325	6.5
282.08914	12.5
290.09390	5.6
291.10098	15.5
292.07349	6.5
293.08136	8.5
295.09711	5.5
301.07019	6.1
307.09531	10.4
308.10309	10.2
310.08368	9.3
311.12656	5.8
315.08646	75.0
321.07483	6.9
323.12726	17.4
327.12335	9.3
328.09238	7.3
330.11011	86.0
331.11725	11.4
336.10089	8.6
337.10757	7.3
339.12402	9.5
340.12634	5.2
343.11777	26.8
351.12244	34.5
352.13153	6.3
353.09872	10.2
368.12616	11.3
371.14685	7.2
383.10266	5.7
383.14944	58.9
401.16144	20.8
401.28479	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	9.2
55.01871	10.7
55.05504	16.3
57.03429	11.1
57.07067	4.2
58.06588	9.6
61.02926	7.0
63.68914	4.4
64.66856	4.4
65.03931	5.1
67.05499	18.1
68.99788	14.6
69.03438	39.0
69.07069	41.2
70.06589	18.6
71.01349	5.8
71.05004	30.2
71.50549	5.4
72.07806	7.3
72.08163	72.8
73.02909	7.5
75.27639	4.2
79.05495	24.5
81.03422	34.6
81.07061	52.7
83.04976	18.3
83.08598	11.2
84.08157	15.0
85.02916	57.8
86.09233	6.1
86.09717	100.0
87.00819	27.6
87.46268	4.3
88.39765	4.3
90.98681	5.1
91.05495	36.9
93.07047	31.1
95.04976	14.2
95.08600	22.3
97.02890	22.2
97.06573	5.7
99.04460	13.0
99.08072	7.5
103.03944	6.4
105.01850	12.7
105.07048	38.6
107.04961	30.2
107.07965	4.5
107.08585	30.1
109.02892	22.2
109.06532	80.1
109.10160	47.4
110.07183	5.5
111.04438	17.3
115.03912	12.3
117.07033	11.0
119.04968	4.5
119.08593	34.7
121.02957	5.4
121.06529	33.1
121.10153	18.4
123.04446	15.1
123.08061	12.1
123.11674	12.4
125.13231	5.0
127.03931	18.3
127.11195	15.5
129.01816	13.9
129.06960	7.3
129.10236	8.4
130.05040	4.6
131.08595	11.7
132.10301	5.0
133.06482	8.5
133.10123	10.3
135.08075	12.0
135.11731	12.1
137.05957	14.8
137.09615	20.2
139.07555	5.2
139.11172	5.0
143.08517	8.3
145.06497	7.2
145.10159	17.5
147.02872	9.7
147.07928	10.8
147.11693	5.8
147.68341	4.6
149.09576	6.7
151.07527	5.8
151.11180	19.9
153.12778	12.4
155.08589	9.6
155.10616	5.0
159.02907	5.7
159.08104	13.0
159.11720	9.3
161.09583	4.9
163.11241	8.5
165.12772	15.7
167.07027	23.8
171.11629	5.9
171.14948	14.1
173.09654	23.1
173.13182	4.9
175.07556	9.0
175.10951	14.0
177.12798	21.8
189.03874	9.6
189.12616	5.2
191.10674	14.5
193.12227	8.7
195.13824	29.8
199.14398	8.9
199.17976	7.4
201.03969	5.5
201.12694	10.7
203.13995	8.7
213.26408	4.1
214.05821	4.4
215.14270	12.4
219.08215	6.9
219.13826	14.9
225.12581	5.1
227.13840	11.0
227.17519	8.5
237.14835	11.6
238.98605	6.5
243.13797	21.1
260.16324	4.8
261.14862	25.0
270.90250	4.9
291.10135	5.9
315.08493	7.8
330.10992	8.5
343.11597	5.0
357.02499	6.0
365.15829	6.3
383.15558	10.3
401.09592	7.4
401.18176	29.1
401.28668	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	401.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.5
55.01859	9.4
55.05500	14.7
57.03426	9.7
60.64590	5.6
61.02917	7.9
66.16715	5.4
67.05497	24.9
68.99773	13.0
69.03432	40.6
69.07072	34.2
70.06591	19.1
71.04987	35.9
71.51253	7.2
71.51618	6.1
72.37237	5.2
72.98535	5.0
77.05946	5.5
79.05488	36.0
81.03412	34.6
81.07056	53.1
83.08628	12.5
85.02904	56.2
85.06540	6.7
86.09695	9.6
87.00826	21.3
87.04449	6.1
91.05478	40.6
93.07024	34.9
95.04964	18.7
95.08599	23.7
97.02890	30.9
103.03970	6.7
103.05461	8.6
105.01882	10.2
105.07033	44.8
107.04949	74.4
107.08578	31.1
109.02877	19.0
109.06516	73.2
109.10164	50.8
112.08679	7.9
113.06020	5.2
115.03889	7.6
115.05500	6.6
117.07023	12.8
119.04921	7.6
119.08590	43.1
121.06530	28.9
121.10153	19.3
123.04412	11.8
123.08095	8.8
123.11704	17.1
125.05978	6.4
127.03912	20.0
127.11210	7.5
128.06226	8.1
129.01857	7.8
129.07028	13.1
131.08531	31.9
133.06503	9.0
133.10123	18.2
135.08054	13.4
135.11703	19.9
137.06010	10.8
137.09608	15.7
137.13216	6.4
141.07045	8.9
143.08530	17.1
144.05695	11.2
145.06447	6.8
145.10126	27.0
147.04369	6.8
147.08043	14.2
147.11736	13.4
151.11166	13.2
153.12733	14.2
156.05722	16.5
157.06384	7.4
159.08069	33.2
159.11749	9.7
161.05992	9.6
161.09657	6.2
163.11223	11.3
165.12740	17.5
167.07040	100.0
169.06430	6.6
169.07680	5.8
171.07997	9.0
173.09671	22.8
177.12750	23.6
181.04913	14.4
181.08568	7.6
187.07567	16.0
189.03996	9.2
189.12703	7.3
193.08565	7.9
195.13847	23.9
201.12622	6.3
203.08670	8.3
205.08539	6.3
206.07185	5.9
207.10059	5.9
207.13893	9.3
208.05240	12.9
211.07538	9.2
217.08542	36.4
219.10110	11.8
219.13811	16.7
237.14876	12.0
239.06998	12.4
243.13773	20.7
246.06442	5.7
247.07498	14.3
247.09738	19.6
248.08379	12.1
249.05336	6.6
249.09036	5.6
251.08000	7.8
261.09045	9.2
261.14877	20.1
263.10666	12.8
264.07697	9.4
269.08105	21.2
271.09808	9.0
276.07800	10.8
284.20816	7.5
291.10239	12.6
293.08167	7.7
307.09677	22.8
308.10321	8.9
315.04858	7.2
315.08548	50.0
319.09589	16.3
320.25592	6.8
321.11145	7.6
323.12863	7.9
330.10931	63.1
336.09769	7.2
337.10596	9.0
339.12244	12.5
351.12256	20.2
352.13025	7.4
353.10236	11.5
356.12448	7.5
368.12714	7.0
371.14948	10.5
383.14841	74.1
384.11835	10.8
401.16190	18.7
402.12888	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.5
55.01881	22.5
55.05501	18.4
57.03445	11.5
61.02925	6.1
65.03918	7.0
67.05505	31.6
68.99779	10.8
69.03437	45.4
69.07068	12.6
70.06605	30.5
71.04980	13.0
71.51202	6.6
72.08151	15.6
73.02905	7.6
79.05499	40.2
80.68773	4.8
81.03430	59.8
81.07061	79.6
83.04977	18.2
83.08606	5.3
84.04488	4.4
84.08154	8.7
85.02482	5.8
85.02916	46.9
86.09718	28.6
87.00839	23.7
90.42009	4.7
91.05486	37.3
93.07053	35.7
95.01347	4.9
95.04980	40.9
95.08595	26.7
97.02888	21.6
97.06525	9.5
99.04445	10.5
103.03957	11.8
103.05445	6.4
105.00256	4.1
105.01849	10.0
105.07034	53.1
106.07413	4.8
107.04980	32.7
107.08599	30.2
109.02895	13.1
109.06522	50.2
109.10178	16.4
111.04443	9.6
112.08739	7.1
113.06014	6.6
115.03968	8.7
115.05508	5.1
117.07022	15.3
119.04953	4.9
119.08590	62.9
120.08112	14.4
121.06516	9.7
121.08492	8.7
121.10129	29.9
123.04440	100.0
123.08078	9.0
123.11713	4.9
125.05998	11.5
127.03925	10.0
128.06213	6.0
129.01866	9.7
129.07019	9.4
129.10237	6.6
130.07889	7.1
131.08586	16.7
133.06517	8.1
133.10133	21.5
135.08073	5.7
135.11688	9.7
137.06017	7.2
137.09618	16.0
141.05479	16.6
142.07785	10.6
143.03465	5.1
143.08607	8.0
144.09308	5.1
145.06450	5.3
145.10120	38.6
147.02902	5.8
147.11697	13.8
149.05983	10.5
149.09604	5.3
149.13222	4.8
151.07579	23.5
151.11182	11.0
155.08553	7.1
157.10156	18.4
159.02899	11.8
159.07999	10.1
159.11720	28.3
161.04446	7.2
161.09576	7.6
161.13315	5.0
163.03824	6.1
163.11185	11.2
165.09140	5.9
167.07111	31.1
167.08372	7.9
169.10129	8.3
171.11757	5.7
173.09546	4.5
177.12775	6.8
179.07051	14.5
181.04962	6.2
183.11754	11.3
189.03920	7.7
197.08109	5.9
197.13190	7.8
201.03763	4.7
201.12755	14.8
207.11383	14.0
208.11578	14.2
215.14221	5.3
217.08678	8.3
219.13863	9.3
221.18886	7.0
225.12749	10.9
243.13818	16.2
261.14807	11.7
276.91147	5.2
293.08197	6.2
299.05630	7.0
312.45706	5.0
315.08521	7.1
330.10983	9.8
331.11868	4.8
337.10736	4.6
351.12183	7.6
383.15106	9.2
401.16724	5.4
401.28732	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	401.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	16.1
55.01877	25.4
55.05513	27.3
55.47539	5.0
57.03440	18.1
57.07070	12.2
59.05005	6.3
61.02930	13.3
67.05502	34.7
68.99793	24.2
69.03436	92.6
69.07074	62.1
69.64053	30.3
70.06607	9.3
71.01342	5.6
71.05000	61.4
73.02930	7.7
79.05494	34.5
81.03414	47.3
81.07056	83.2
83.04998	14.6
83.08618	17.0
85.02908	100.0
87.00835	44.3
88.13733	4.4
91.05485	46.4
93.07049	56.9
95.04951	32.5
95.08619	33.4
97.02904	57.9
97.06522	13.3
98.20852	8.8
99.04440	14.3
99.08083	13.7
103.03953	15.2
105.01848	18.5
105.07036	68.6
107.04971	30.6
107.08595	70.8
108.64127	5.1
109.02898	35.5
109.06518	86.4
109.10165	68.7
111.04462	10.7
111.08036	6.1
115.03945	17.6
115.05461	9.2
117.07040	23.4
119.08586	77.5
121.06493	41.1
121.10133	19.1
123.04436	9.8
123.08067	20.0
123.11750	27.5
125.13266	15.3
127.03917	42.6
127.11203	5.9
128.06233	8.6
129.01828	21.9
129.05447	4.9
129.07022	12.9
129.74112	4.9
130.07751	6.0
131.04996	4.7
131.08577	37.0
133.06499	11.8
133.10147	23.6
135.08090	12.1
135.11685	36.8
137.05995	10.3
137.09621	32.3
137.13226	12.1
139.11244	7.2
143.08578	22.7
145.04900	11.6
145.06487	7.9
145.10098	40.4
147.02917	10.9
147.08035	23.8
147.11703	21.9
149.09628	9.2
151.07478	10.0
151.11183	24.0
153.12740	32.0
155.08551	14.3
157.06549	6.0
157.10110	10.5
159.02930	8.6
159.08040	12.0
159.11687	21.6
161.09595	6.3
163.07570	10.7
163.11232	17.0
165.09164	6.8
165.12758	41.5
167.07066	16.1
171.02983	7.0
171.08122	8.0
171.11786	7.4
173.09656	40.4
173.13293	12.5
175.07588	9.2
175.11148	11.2
177.12747	32.1
179.14349	5.5
187.14758	5.8
189.03874	12.0
189.09059	9.2
189.12753	15.8
191.10722	17.8
191.14371	5.4
193.12318	6.0
195.13849	32.8
197.13258	8.7
201.03932	13.4
201.12737	9.8
205.08618	8.5
207.13821	6.7
215.14375	12.3
217.08591	6.3
219.13892	16.2
225.12851	8.3
231.04968	9.1
233.15381	7.4
237.14886	13.0
239.16400	11.0
243.13818	40.1
261.14880	48.0
279.16034	10.5
330.10880	8.0
347.14780	10.6
365.16205	9.7
383.16324	8.7
399.37936	5.8
401.17963	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	401.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
53.93246	3.5
55.01873	27.4
55.05505	17.0
57.03428	12.5
59.05001	3.7
60.04511	5.7
61.02906	12.7
65.03943	4.1
67.05505	32.3
68.99790	12.0
69.03432	53.5
69.07066	10.7
70.06597	28.0
71.01331	5.2
71.04986	10.1
71.51572	5.9
72.08146	11.9
73.02917	6.1
79.05499	39.7
81.02993	4.9
81.03422	53.7
81.07063	87.7
83.04997	22.5
84.08157	4.3
85.02904	36.6
85.06525	10.6
86.09714	30.3
87.00831	22.6
87.04437	4.4
87.05572	5.3
91.05486	47.7
93.07056	33.9
95.01290	4.9
95.04969	38.8
95.08620	19.4
97.02886	22.3
97.06543	10.2
98.95872	4.0
99.04464	18.7
100.65257	4.4
103.03921	11.2
103.05493	4.4
104.54301	3.5
105.01852	7.8
105.07039	48.8
107.04980	25.1
107.08620	23.2
109.02883	10.6
109.06550	47.6
109.10166	18.6
111.04423	8.5
111.08046	7.1
112.08714	3.8
114.05943	4.0
115.03960	8.9
115.05461	7.2
117.07024	16.7
119.04949	6.6
119.08595	86.1
120.08166	22.7
121.06502	14.5
121.08435	11.3
121.10152	24.8
123.04434	100.0
123.08057	12.4
125.05992	14.4
127.03908	14.2
128.06252	7.1
129.01854	12.7
129.05507	5.0
129.06967	5.8
129.10216	4.1
131.04956	7.4
131.08574	18.9
133.05032	4.1
133.06473	4.8
133.10133	19.2
135.08026	11.0
135.11653	16.0
137.05942	7.4
137.09612	14.7
141.05453	11.8
142.07758	10.0
143.03413	8.6
143.08566	13.7
145.04953	4.3
145.06483	5.2
145.10124	37.2
147.02893	5.3
147.08040	9.5
147.11696	14.5
149.05957	9.4
149.09613	6.6
149.13179	7.2
151.07568	29.3
151.11194	11.5
153.06969	5.1
155.08508	10.4
157.10081	21.2
159.02812	8.1
159.08028	6.8
159.11696	27.1
161.04524	8.6
161.05896	5.2
163.11206	9.8
167.07063	31.5
167.08356	6.5
169.10117	4.9
171.11678	7.4
173.13268	5.9
175.11168	10.8
179.07065	19.6
181.04922	6.9
183.11661	8.3
185.09726	4.1
185.16585	4.4
187.07471	6.2
187.11102	4.2
189.03944	6.6
191.06865	6.0
197.08104	13.2
197.13246	9.2
199.11377	4.2
201.12743	14.6
207.11406	20.8
208.05147	4.4
208.11681	8.6
215.14284	6.1
217.08618	6.6
219.13699	7.1
225.12883	7.3
233.09703	4.9
243.13777	11.8
261.14929	11.4
299.05609	5.3
307.09830	5.1
315.08594	12.1
330.11032	9.3
349.03040	4.3
351.12341	5.6
365.16034	5.9
383.15558	11.1
392.37354	3.9
401.17255	5.0
401.28607	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	401.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	7.9
57.05817	1.2
70.06599	41.7
70.19475	3.0
72.08160	100.0
74.06055	1.3
81.03420	0.9
84.04509	21.6
84.08149	4.6
85.02921	2.0
86.09731	4.1
89.06017	1.2
91.05483	1.2
96.04501	2.2
97.02898	1.5
98.21392	1.0
98.97561	0.8
102.05540	9.5
106.85202	0.8
107.04967	14.0
109.02845	0.8
113.07142	5.8
114.05507	0.7
116.07103	64.1
119.04933	0.8
121.06530	0.8
127.04002	0.9
129.10251	3.9
131.04970	2.0
137.05995	1.5
141.06618	10.3
147.04396	1.2
149.05989	1.2
150.90764	0.7
159.07710	6.7
163.03918	1.5
163.07474	0.8
167.07030	1.9
169.06111	13.8
173.09207	2.7
175.03925	1.3
177.05487	1.0
181.04941	4.6
187.07164	29.1
203.07339	1.1
205.05054	1.7
215.13895	2.3
217.04974	1.0
239.14864	1.6
240.13412	10.4
258.14548	5.0
264.07523	0.8
268.12909	5.0
269.07892	2.3
274.84711	0.8
286.13992	12.2
305.06436	0.8
323.02216	0.9
341.03082	1.1
357.11526	1.2
382.93207	1.0
401.10046	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	401.2873
Annotation	Arg Leu Ile
Peak:m/z	Relative Intensity
55.05509	0.8
56.05035	0.6
60.05648	11.5
66.52541	0.5
68.05035	0.9
69.07067	1.8
70.06593	98.6
70.72276	1.2
70.72626	0.7
71.04988	8.2
72.08140	1.2
73.66707	0.5
76.40286	0.6
81.03423	0.6
82.06586	3.2
84.04510	0.9
84.08139	1.7
85.02877	0.6
85.07692	0.6
86.09707	22.0
87.79626	0.5
88.07635	4.1
91.87749	0.5
93.07028	0.6
96.04476	1.1
97.07667	1.6
98.06056	4.0
107.04962	7.8
109.39789	0.5
111.82256	0.5
112.08730	27.1
113.07130	0.7
115.08701	3.7
115.24015	0.5
120.08180	0.7
126.05512	0.6
128.07080	1.8
131.04842	0.6
132.10229	0.8
134.03165	0.6
137.06058	0.5
138.05516	3.7
138.12794	2.3
140.08191	6.0
144.06577	1.1
144.10095	0.6
147.04431	0.8
149.06004	0.9
157.10844	9.4
158.09288	0.6
161.09258	0.5
165.13988	0.7
166.12308	1.3
175.04005	0.8
175.11906	4.9
181.04965	2.5
182.16559	2.5
183.14946	9.1
199.10777	0.8
205.04999	2.0
206.75134	0.7
208.14488	2.2
210.16077	2.7
211.14433	1.6
217.04936	0.6
225.17102	22.1
228.17090	0.9
229.15486	1.3
242.19699	3.7
245.18741	1.3
251.08195	0.6
255.06694	0.6
258.00763	0.6
270.19266	4.2
271.17706	6.0
288.20291	12.9
342.23978	0.6
346.39355	0.6
357.12048	0.5
383.15280	0.9
384.26083	7.1
401.17609	2.0
401.28732	100.0
402.29056	1.9
411.07651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01872	1.6
55.05264	1.4
55.05512	15.3
57.03185	0.8
57.03442	5.9
57.07080	100.0
60.85912	0.8
61.02913	1.4
67.05511	34.5
69.03434	24.1
69.07072	22.8
71.04984	3.6
71.08637	74.0
71.48000	1.0
71.48322	1.1
73.02915	1.6
79.05481	2.7
81.03426	25.2
81.07061	48.6
83.08627	34.1
83.09128	2.0
85.02912	28.9
85.06525	1.9
85.10188	42.1
88.07635	1.1
93.07032	2.6
95.08614	73.2
97.02898	17.8
97.10174	19.5
99.04453	8.4
99.11731	4.1
103.07584	0.9
105.07017	1.2
107.08578	0.9
109.02876	11.5
109.10163	38.8
111.11724	5.0
113.13326	1.2
121.10140	1.1
123.11723	14.4
125.13262	3.6
127.03928	23.9
133.10127	0.9
137.13251	9.3
139.14796	1.3
141.16249	0.9
145.04976	8.4
151.14835	3.3
151.57964	0.8
165.16374	1.8
173.13081	0.7
203.73465	0.8
221.22733	3.5
231.28564	0.9
239.23714	43.6
240.23894	1.1
249.30270	1.0
257.24789	3.5
296.52802	0.9
299.45258	0.9
339.34628	1.1
341.26767	2.6
383.28067	9.6
383.32761	1.6
401.28668	3.3
401.33331	1.0
401.38135	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	401.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82730	6.6
55.05508	25.3
57.07078	47.5
61.84161	7.1
67.05499	47.8
69.03424	29.4
69.07064	40.7
69.42949	17.5
69.43357	31.1
70.06594	15.8
71.05001	9.8
71.08632	19.0
79.05483	34.1
79.83544	6.0
81.03419	17.8
81.07069	63.1
83.04987	6.3
83.08637	24.6
85.10182	12.1
88.07652	14.2
89.07967	7.2
91.05482	36.1
93.07044	59.6
95.08614	100.0
97.02882	35.2
97.10179	10.2
99.04482	9.0
99.08084	10.5
102.09213	7.6
105.07037	62.2
107.04965	7.0
107.08614	55.0
109.02905	8.4
109.06514	8.6
109.10194	40.5
117.07029	23.7
119.08591	80.4
121.10179	40.9
123.11732	22.0
127.03957	15.1
129.06993	7.7
131.08582	29.6
132.30864	7.6
133.10129	72.6
135.11684	20.4
137.13258	8.4
139.11208	10.1
143.08540	14.1
145.10126	55.9
147.11707	58.8
149.13300	18.3
151.07600	7.1
157.10222	16.0
158.62735	6.7
159.11668	39.0
161.09674	9.6
161.13292	23.0
163.11238	16.2
169.10117	8.7
171.11679	14.0
173.13322	21.3
175.14868	13.1
177.12750	10.3
183.11790	9.1
187.14870	28.0
189.16399	29.9
199.14804	15.5
201.16383	33.8
203.17932	12.4
213.16483	13.0
239.23654	39.6
241.46234	7.1
295.24228	10.8
313.25369	14.1
322.61169	7.7
339.34506	22.9
340.35385	10.8
365.28506	44.8
383.29230	45.0
401.30472	24.0
401.38293	70.2
402.39444	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	402.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20497	1.2
54.71297	1.2
55.05511	2.9
57.07074	3.1
62.98287	1.2
65.38568	1.3
69.03415	1.5
69.07069	7.3
70.83620	3.3
71.08627	2.3
74.04502	1.1
79.05500	4.1
80.06284	2.2
81.07043	6.0
83.08632	5.4
85.10196	2.5
87.04475	1.4
91.05486	1.5
92.31841	1.2
95.04967	3.0
107.04974	6.4
108.05749	10.8
109.06526	12.2
113.58649	1.1
121.06509	13.0
121.12001	1.2
123.04437	5.3
124.05236	1.3
131.08556	2.4
135.08060	1.7
136.05215	25.9
137.05991	88.0
138.06776	34.1
148.81508	1.2
149.05992	2.8
149.09660	5.9
150.06789	11.9
151.07683	1.4
159.08086	2.8
163.07555	5.7
177.09120	58.9
191.10707	1.8
192.11423	1.5
230.47142	1.2
255.87947	1.3
256.03604	1.2
311.74976	1.4
373.19345	1.2
402.34985	100.0
403.35403	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	402.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.5
55.88340	0.3
56.05021	0.3
57.07082	7.0
58.06601	1.9
69.07069	0.6
69.69571	0.3
70.06599	18.1
71.08631	3.6
71.36198	0.5
72.08154	0.6
74.06133	0.4
74.65669	0.3
81.07033	0.4
84.97957	0.3
85.10181	1.3
87.96348	0.3
88.07636	21.6
95.08600	0.7
102.09188	12.4
102.15810	0.3
108.68288	0.3
109.02839	0.4
132.10219	1.1
146.11772	0.9
150.11275	0.8
190.08360	0.3
205.07173	0.4
210.73521	0.3
296.33240	0.7
314.34186	0.4
322.34491	0.4
340.35760	37.8
341.36105	1.3
384.38470	3.0
402.39447	100.0
403.39691	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	403.3572
Annotation	delta-Tocopherol
Peak:m/z	Relative Intensity
53.03945	3.0
55.01869	6.0
55.05520	13.2
57.07080	23.9
57.53536	1.3
57.85129	1.3
59.87892	1.4
65.88924	1.4
67.05491	5.5
67.20925	1.6
68.16665	1.3
69.03407	1.3
69.07072	18.5
71.08634	23.3
71.12236	1.9
74.05532	1.4
76.69650	1.4
79.05505	6.7
81.07060	34.6
83.04990	3.2
83.08631	11.6
85.06564	1.6
85.10176	12.5
91.05494	4.3
93.07043	8.0
95.08614	16.1
97.10168	7.2
101.96517	1.4
105.07039	8.0
107.08604	12.1
109.06519	15.0
109.10165	9.2
111.04444	7.2
111.08099	3.2
111.11716	4.4
119.08593	9.1
121.10152	10.7
123.08077	5.8
123.11724	4.6
125.06004	5.8
125.13309	2.2
129.01860	3.8
131.08530	3.0
133.10176	8.7
135.08040	15.1
135.11705	4.1
137.05986	100.0
137.09601	2.9
137.13251	1.5
139.00287	1.3
139.07585	1.5
143.08551	2.7
145.10141	4.1
147.08058	2.4
147.11664	7.8
149.09645	14.6
149.13295	3.9
151.07574	5.2
157.01384	2.0
157.10135	4.2
159.11682	4.2
161.09647	14.2
161.13286	13.2
163.11206	7.8
163.14822	3.1
165.09142	4.0
165.12756	1.7
165.22000	1.6
171.11652	1.7
173.13341	1.8
175.11209	12.3
175.14799	3.7
177.12767	9.9
179.10686	5.9
184.29041	1.5
185.08195	1.8
185.13248	2.0
189.12790	8.9
189.16380	2.0
191.14337	3.6
191.17900	1.7
193.12241	8.4
195.13887	3.0
203.14369	5.0
207.13879	8.6
217.15948	4.5
217.19540	1.4
221.15398	4.7
231.17422	5.4
235.16959	2.9
245.19075	5.1
249.18544	4.6
259.20621	3.9
263.20084	3.6
273.22104	2.9
277.21652	4.4
287.23865	2.9
291.23193	3.3
301.25360	2.3
305.24783	1.8
315.26904	2.9
329.28244	2.8
333.27835	1.9
357.35101	2.5
378.55765	1.4
384.24954	1.7
385.34741	16.5
389.47946	1.7
389.77982	1.5
403.35956	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.9
55.05513	18.0
56.40654	1.4
57.03428	1.7
57.07072	3.4
63.08450	1.5
67.05510	28.5
69.07071	27.4
69.63966	3.0
69.64368	6.2
71.04999	9.4
71.64783	1.5
79.05492	9.8
79.09777	1.3
81.07056	39.7
83.04993	3.0
83.08606	7.3
85.06546	7.1
91.05485	5.6
93.07046	24.7
95.08611	100.0
97.06516	2.8
97.10184	6.0
99.08150	1.7
101.06075	1.8
105.07041	7.3
107.08604	25.5
109.10160	75.9
111.08094	27.7
111.08768	0.9
111.11729	11.9
119.08606	9.2
121.10150	33.1
123.08080	1.9
123.11714	28.2
129.01855	2.9
131.08598	1.7
133.10132	10.0
135.11702	24.3
137.13242	5.8
139.11273	1.7
147.11668	5.4
149.12080	2.1
149.13254	23.3
151.14836	1.8
153.12692	2.0
161.13300	4.4
163.14830	16.5
165.12790	1.8
167.14307	2.2
175.14857	4.6
177.16420	9.7
179.14366	3.5
181.15894	4.8
185.15437	3.6
187.14838	1.6
189.16275	1.5
191.17868	8.1
193.15932	5.5
203.17993	3.5
205.19521	44.9
217.19522	4.1
219.21072	3.5
221.19005	3.2
231.21005	1.5
275.23676	3.3
287.27042	1.5
289.25305	1.6
307.26456	1.5
325.56418	1.4
336.77731	1.4
340.23950	1.4
384.78458	1.5
385.34689	18.3
403.35803	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	403.9838
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19492	1.7
52.76341	1.5
56.96567	21.3
69.03426	1.9
71.04961	2.2
71.49075	2.6
71.95264	5.8
81.49176	1.7
84.08125	1.8
85.02884	1.8
89.79742	1.7
94.51858	1.4
97.02898	3.2
98.97593	100.0
99.97941	3.3
102.96883	8.4
110.97557	4.6
115.77794	1.6
116.98626	60.0
119.01951	3.5
120.97926	3.5
128.98643	3.0
134.99689	15.7
146.99663	3.0
158.99873	2.5
162.20929	1.7
172.94318	5.9
174.97673	3.6
175.97809	2.7
177.00966	7.2
178.01067	4.6
179.00650	2.0
186.99075	2.6
190.95441	4.3
201.00952	3.0
202.01067	2.5
214.95505	3.2
216.98843	5.0
217.98933	3.1
219.02043	3.7
220.02216	5.6
221.01906	2.9
228.02638	1.8
232.96477	5.7
233.03433	1.9
234.99915	5.2
236.00150	4.1
236.99754	2.0
239.00612	1.8
240.98904	7.0
241.99045	3.8
243.02081	2.1
244.02174	1.9
250.97635	2.3
252.96355	3.2
253.96634	1.8
254.93466	2.7
254.96274	2.0
255.02086	3.4
256.93405	1.6
256.96597	7.3
258.99902	29.5
260.00107	7.0
260.99704	9.2
261.03082	14.2
262.00085	2.8
262.03128	4.3
262.99371	3.4
263.02884	7.5
268.94131	2.0
270.94122	1.9
274.97522	12.4
276.98083	2.5
277.01004	18.3
277.96768	2.8
278.01035	8.8
278.96948	13.5
279.00687	7.8
279.97037	5.0
280.00378	2.7
280.45126	2.0
283.00018	60.1
283.03186	3.8
283.99997	11.9
284.99774	6.6
286.00031	6.6
290.95667	2.0
292.95172	2.1
292.98459	3.0
295.97702	3.9
296.95142	2.9
296.97998	3.5
297.98105	2.0
298.97766	3.5
300.97687	3.1
301.01062	56.8
302.01025	13.2
302.97269	3.3
303.00803	5.4
303.96771	1.7
304.00967	5.6
314.93057	2.4
314.96564	5.1
317.99194	1.8
318.98621	4.0
320.95520	14.3
338.92960	3.0
338.96680	17.8
340.95609	2.2
344.94974	2.3
355.94244	2.5
356.93625	8.8
356.97412	5.5
358.97168	2.1
362.04684	2.3
362.96268	3.4
375.93402	5.5
380.97165	41.4
381.97427	2.5
390.44150	2.1
398.98145	64.3
399.97833	4.8
416.95511	4.8
421.97742	17.9
422.96344	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38526	1.2
53.03938	2.8
69.03428	6.2
70.06596	4.5
71.50339	2.0
75.03623	1.3
80.31158	1.4
81.03427	9.1
83.23454	1.1
84.08155	2.0
85.02915	12.2
86.09705	6.7
91.05488	100.0
92.05807	1.5
97.02892	22.3
99.04453	3.0
103.05438	1.5
107.04984	2.2
109.02901	13.3
115.03973	1.4
115.05451	1.9
117.07026	12.1
119.04944	4.4
120.08130	2.0
127.03931	13.9
133.06537	2.9
138.09148	5.2
141.18224	1.2
143.04858	2.2
145.04953	9.9
145.06500	19.4
147.04396	2.5
147.50844	1.3
155.06052	3.4
161.05989	13.1
167.07008	2.9
171.04402	14.1
175.03911	3.5
179.07054	41.3
188.03207	1.3
189.05487	15.2
207.06538	18.5
207.10120	1.3
224.95248	1.3
225.07623	4.3
225.11578	1.2
269.08261	1.5
305.10309	3.5
333.09589	6.7
351.10709	7.8
369.12003	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	3.1
69.03442	2.0
69.35729	8.7
69.36142	4.6
70.06600	2.8
71.05002	1.9
85.02891	5.0
91.05487	2.5
95.04932	2.3
95.08623	3.3
97.06516	2.2
98.20722	4.0
100.11248	1.8
105.07071	2.0
109.06462	1.9
111.04350	2.3
121.06554	2.7
121.10126	4.9
123.08081	100.0
137.05975	2.2
139.46524	1.6
145.04883	1.7
145.23602	1.7
149.06064	1.9
149.09692	2.0
151.11179	7.8
153.05495	1.9
154.05771	2.0
161.05965	2.0
163.03935	2.0
163.07433	1.8
167.07076	3.2
167.10760	3.3
181.12224	7.8
207.13838	7.1
213.75233	1.7
225.14880	21.0
301.00269	2.0
339.71637	1.8
385.20810	1.8
394.99808	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20557	3.1
55.05498	5.6
62.06095	52.0
67.05499	6.9
69.03428	5.4
70.06593	11.4
71.51327	5.2
72.08147	10.3
79.05487	5.2
81.03387	6.4
81.07060	18.1
84.04505	4.6
84.08147	12.3
85.02905	77.0
86.09718	18.9
91.05486	68.4
93.07047	9.9
95.04992	4.8
97.02895	16.5
101.07215	4.0
105.07038	13.6
107.04959	29.5
107.08577	19.9
109.02882	11.2
109.10153	10.2
110.09692	3.9
117.07038	8.2
119.08598	12.2
121.10162	14.7
123.11713	80.9
127.03931	12.0
128.10683	4.5
129.10284	5.1
135.08051	6.1
138.09138	42.6
143.08545	4.8
145.05038	7.3
145.06482	16.5
145.10106	5.0
147.04434	4.6
147.08006	9.1
147.11659	8.0
149.09605	25.4
154.17812	3.9
161.06001	7.7
165.09190	5.1
167.07118	8.0
171.04402	6.9
171.11684	6.0
175.03859	4.0
179.07011	21.8
189.05492	9.9
189.12775	27.1
193.08565	5.9
207.06548	21.3
207.13803	100.0
318.85803	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97751	4.3
56.79950	4.1
57.43377	3.7
62.05847	4.1
62.06094	44.0
64.34636	4.8
69.03425	10.7
70.06577	18.4
70.76113	11.1
72.08157	4.5
72.15696	4.4
74.06058	6.5
79.05495	7.2
79.82146	4.1
81.03420	8.4
81.07039	13.3
84.04476	5.0
84.08137	15.9
85.02910	80.8
86.09707	20.5
91.05480	70.6
93.07026	8.8
97.02883	11.0
97.85123	4.8
105.07032	13.3
107.04961	42.7
107.08579	17.8
109.02882	11.8
109.10165	12.2
117.07021	9.6
119.04974	6.8
119.08562	10.3
121.10153	17.4
123.11711	86.8
127.03963	9.7
129.10202	5.6
131.08557	6.7
135.08081	4.8
138.09145	49.2
139.07561	4.7
145.06473	18.0
145.10132	9.8
147.04430	6.3
147.08028	7.4
147.11642	13.2
149.09608	28.7
156.09273	6.2
161.06018	9.8
165.09073	7.6
167.07103	9.1
171.04393	6.4
171.11639	14.2
175.03973	6.2
177.39171	4.1
179.07045	30.3
189.05476	10.0
189.12727	19.3
193.08572	7.9
207.06532	24.3
207.13788	100.0
323.47113	5.9
377.96881	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	405.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30094	0.9
53.03941	1.2
55.01863	3.7
55.02314	0.9
62.77606	0.9
65.03953	1.3
68.99809	5.2
69.00124	1.1
69.03418	1.9
69.96057	5.0
70.06560	1.3
71.01335	1.4
72.08135	2.0
74.06074	1.3
79.05485	2.0
81.03416	1.7
81.94425	0.8
82.22556	0.9
83.04973	0.9
83.06085	1.1
84.04495	2.2
84.08118	1.7
85.02902	2.6
85.03979	0.9
86.09694	3.9
91.05474	2.2
95.01308	1.3
95.04942	2.0
96.59583	1.0
97.02875	3.6
99.04452	1.7
102.05519	1.1
102.47119	0.9
107.04962	100.0
108.05261	2.1
109.02888	3.4
111.04452	1.6
115.05453	1.0
115.51649	1.0
117.07030	1.1
119.04945	2.9
121.02869	9.6
123.04411	3.0
125.02383	1.3
127.03933	2.3
129.10231	1.3
131.04929	2.7
133.06485	2.1
135.04448	2.4
137.02368	6.6
137.05960	1.7
137.64742	1.0
139.03902	23.6
145.06471	1.6
147.04416	4.4
149.02330	2.4
149.05986	1.9
151.03960	6.8
153.01787	1.5
153.05508	1.3
157.06512	4.6
161.05989	1.3
163.03886	14.4
165.01836	28.6
165.05563	2.4
165.06940	1.1
167.03445	6.3
169.06554	1.1
171.04404	1.2
173.05956	1.2
177.05502	2.4
179.03407	4.9
181.04967	5.9
181.06364	1.3
185.05991	3.3
189.05444	3.7
191.03404	10.4
193.01369	2.2
193.04979	2.2
195.02998	1.6
201.05348	1.4
203.06898	1.7
205.04941	3.6
211.07655	1.4
213.05157	1.0
215.03482	1.1
215.07063	2.2
217.04984	6.0
221.04446	1.7
227.07059	2.1
229.04965	2.7
231.06544	1.6
233.04456	12.2
235.05962	10.2
239.07066	2.8
242.65630	1.2
245.04404	3.9
251.05231	1.2
255.06532	6.4
257.08084	3.0
263.05472	6.1
269.08377	8.4
281.06415	5.0
295.06210	1.6
297.07568	6.2
305.08212	1.4
306.10049	1.3
309.07471	1.5
323.09265	2.1
327.08548	4.6
333.07693	1.4
339.08618	2.4
341.09787	1.1
351.08636	9.5
369.09732	13.1
387.10675	3.7
405.15826	29.9
406.14777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.95539	1.5
54.98024	1.0
55.01875	2.9
65.03943	7.9
67.05509	3.1
69.03425	3.5
70.06583	1.0
71.50853	2.6
79.05511	6.7
81.03424	3.9
81.07052	1.7
82.04181	1.7
83.04997	2.1
85.02898	6.3
86.09721	2.1
86.61200	1.2
91.05486	4.7
93.03418	2.5
94.04205	2.0
95.04435	1.2
95.04980	4.6
97.02891	2.1
97.06533	2.0
103.05489	1.5
105.07033	2.6
107.04964	15.8
108.02120	2.9
109.06546	2.4
110.03667	3.8
115.05487	7.1
117.07016	3.8
118.46613	1.3
119.04923	2.1
120.02105	1.3
122.03633	3.2
123.04428	3.2
124.05234	2.5
125.05991	1.6
127.03914	2.1
128.06238	4.0
129.07025	13.7
130.07419	1.2
131.04913	2.9
133.06480	2.5
137.05991	36.0
142.02632	2.8
143.03427	2.9
143.04897	6.8
144.05716	2.4
145.06508	5.0
147.04428	3.2
147.08034	2.0
149.05981	2.2
151.03929	17.4
151.05051	1.5
153.05489	4.0
155.07127	1.4
157.06528	9.6
159.04407	1.4
159.08011	2.0
160.05229	2.8
161.06015	6.7
161.07095	1.3
164.07106	1.3
165.05571	1.5
165.07146	1.4
167.07045	35.3
171.04436	4.9
171.06558	1.8
172.05183	8.3
173.05994	3.8
174.06735	2.9
175.07567	4.5
177.08989	1.8
181.04968	100.0
187.07602	5.4
189.05484	2.9
189.09097	9.0
190.06229	2.0
191.07030	4.8
195.06529	2.9
200.04707	4.4
201.05504	2.2
203.07037	14.7
205.06750	1.6
205.08650	4.8
206.05789	3.1
207.10336	1.4
218.05766	5.2
221.08080	8.6
233.08098	58.3
234.06551	1.6
234.08624	1.7
245.08138	3.6
247.07555	1.9
249.09309	1.9
251.06909	1.8
251.09174	3.0
263.09195	10.5
265.08578	2.4
266.09354	1.3
269.07974	1.6
277.08667	3.8
279.06689	1.7
287.09155	1.9
294.08633	1.6
297.11169	1.6
301.06976	2.3
309.11298	3.6
327.12503	1.8
337.10620	4.7
339.12155	1.6
341.13907	2.3
342.11148	1.8
351.12234	2.8
357.13412	10.9
369.13181	6.4
375.14307	1.6
387.14417	28.2
389.46362	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1545
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03936	4.0
55.01859	5.4
55.80514	2.0
61.54269	1.7
65.03940	7.0
67.05496	4.2
69.03422	6.2
69.07063	2.5
70.06594	2.0
71.51338	2.9
79.05497	10.9
81.03416	8.1
81.07047	3.8
85.02904	16.4
86.09699	3.0
88.58091	1.6
91.05475	8.7
93.03413	4.9
93.07047	2.8
95.04965	5.9
97.02884	4.0
97.06516	3.4
103.05448	4.1
105.03426	9.6
105.07023	5.1
106.04218	2.1
107.04957	20.4
107.08621	2.6
109.02892	3.4
110.03674	2.1
111.04430	3.1
111.77055	1.5
115.03882	1.9
115.05466	6.2
117.07011	2.9
119.04951	8.3
119.08592	4.1
119.19160	1.7
120.08054	2.0
121.06506	6.9
122.03633	5.3
123.04427	5.4
125.05989	4.1
127.03895	2.8
128.06250	1.9
129.06978	9.4
131.04912	3.9
131.08557	3.2
133.06473	3.5
135.04414	5.7
137.05981	41.9
138.03139	1.8
138.06400	1.6
139.03824	2.0
142.02586	3.0
143.04868	2.1
144.05681	3.5
145.06538	8.2
147.04390	11.8
149.05991	5.0
151.02896	2.6
151.03941	24.5
151.05042	1.9
151.07530	1.9
153.05421	4.2
157.06465	11.2
159.08035	3.6
159.11644	1.8
161.06000	9.1
163.03928	4.6
163.07436	2.1
165.06989	6.8
167.07054	37.0
167.08464	3.5
171.04393	3.5
171.06503	4.2
172.05145	8.1
173.05971	2.8
174.06857	2.5
175.07565	5.7
177.05409	3.8
179.06996	5.8
181.04962	99.4
181.08546	3.9
182.05438	1.7
182.07188	3.5
183.08049	7.9
187.03915	2.0
187.07529	5.6
189.05397	3.7
189.09134	10.6
190.06282	2.5
191.06964	5.0
195.06566	2.7
195.11337	2.6
197.09596	5.4
200.04684	4.5
201.05511	2.6
203.07010	15.8
205.04968	7.6
205.08620	5.0
207.08183	2.0
209.08109	5.0
210.06863	3.4
211.05835	1.9
211.07539	12.2
212.08305	3.6
218.05728	4.5
219.10004	2.2
221.08115	5.0
224.08156	1.8
225.09100	7.5
227.07130	2.2
228.07707	6.6
233.05833	3.8
233.08084	53.7
234.06737	2.9
242.09323	3.8
243.10176	100.0
244.10547	3.2
246.13353	2.4
247.06015	5.6
249.09273	2.2
251.09270	3.0
255.06747	2.0
255.10117	2.5
263.09186	9.2
265.08554	2.5
267.10214	6.2
285.11252	4.1
293.08157	4.2
294.97113	1.8
297.11133	2.1
307.09552	2.4
309.11157	7.4
310.16672	1.6
327.12350	2.1
337.10626	5.9
341.13522	1.9
342.10605	2.7
351.12189	3.4
357.13391	9.5
369.13190	4.3
387.14487	27.2
405.15274	5.6
405.35443	2.8
407.72748	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1549
Annotation	Koaburanin
Peak:m/z	Relative Intensity
50.62334	2.3
53.03951	4.5
54.48149	2.3
55.01877	11.2
65.03944	15.0
65.85533	2.4
66.57873	2.2
67.05506	6.2
68.99822	2.4
69.03432	5.1
70.06598	5.1
71.17426	2.4
71.17771	4.9
76.93021	2.2
78.04727	2.3
79.05507	11.4
81.03425	6.5
81.07070	4.7
82.04235	3.3
84.08154	4.8
85.02913	9.3
86.09733	2.4
91.05490	67.1
93.03398	7.2
93.07081	3.9
94.04234	2.8
95.04985	9.4
95.08591	2.8
98.97607	2.7
103.05470	10.9
105.03381	20.3
105.07026	11.4
106.04182	5.4
107.04980	13.9
109.06531	17.4
110.03673	3.6
110.07168	2.9
110.56179	2.4
111.04476	6.2
119.04955	80.1
119.08585	2.8
120.05801	3.4
121.06532	5.7
122.03642	2.8
123.04430	11.3
123.08105	5.6
124.05236	3.6
125.05996	5.3
129.07004	5.1
131.04962	5.1
133.02875	11.2
133.06500	18.2
135.04425	4.3
136.05182	5.2
137.06004	41.3
138.03172	3.6
140.04672	5.2
145.06538	2.5
147.04457	26.8
147.08054	2.6
149.05977	9.6
151.03993	10.9
151.07565	46.6
153.05492	14.8
154.06284	3.7
155.07027	11.7
159.08061	4.6
161.06018	17.6
162.03181	3.0
163.03979	3.0
163.07626	2.3
165.05486	32.5
166.06232	4.2
167.07053	24.6
171.06531	4.5
175.07596	9.7
176.04716	2.8
177.05533	10.1
179.07025	26.2
180.07803	19.8
181.04961	100.0
181.08476	5.4
187.07533	14.4
191.07059	3.2
193.04996	10.7
195.06462	4.0
203.07092	6.7
205.08537	4.6
207.06505	14.2
208.07321	38.1
208.09146	4.2
209.08054	5.7
213.09088	2.4
225.07578	31.0
226.08369	26.9
233.08119	11.8
284.39771	2.9
309.11209	2.9
341.13879	3.4
369.13177	2.6
387.14386	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	405.2634
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03937	7.2
55.01868	17.7
55.05509	39.2
57.03425	7.9
57.07076	5.9
62.44223	4.2
64.81284	4.7
67.05188	5.8
67.05508	78.0
68.19469	4.3
69.03437	30.3
69.07065	34.5
71.04974	14.2
71.08620	5.0
71.51192	5.2
73.02901	6.7
79.05499	75.0
81.03430	29.4
81.07061	100.0
83.04969	15.2
83.08614	18.8
85.02908	11.4
85.06528	5.6
91.05483	85.7
92.04978	3.7
93.07051	82.6
93.82536	4.5
95.04967	15.9
95.08611	65.4
97.02895	9.8
97.06534	12.0
97.10200	7.0
99.04453	10.3
103.05449	7.3
104.54591	4.0
105.07031	74.6
107.04937	11.3
107.08598	53.2
109.02885	6.0
109.06533	16.8
109.10159	30.1
109.76418	3.9
111.04440	12.3
111.08070	7.0
115.03889	4.1
115.05442	5.4
117.07027	45.1
119.08589	68.3
121.06509	14.2
121.10162	38.6
123.04398	6.2
123.08060	14.8
123.11739	6.9
125.09602	7.3
127.03925	7.9
128.06235	6.1
129.05478	4.5
129.06985	23.4
131.08575	51.8
133.06509	12.4
133.10149	32.9
135.08046	12.7
135.11739	22.9
137.05928	6.2
137.09651	6.6
141.06967	8.0
142.07799	6.4
143.08571	29.7
145.06430	6.1
145.10143	48.5
147.08061	11.3
147.11711	30.5
149.09616	11.9
149.13239	16.7
155.08595	8.8
157.06453	5.2
157.10120	19.9
159.07954	5.2
159.11734	39.6
161.09616	9.7
161.13245	14.7
165.09148	4.1
169.10117	15.0
171.08078	7.7
171.11661	20.3
173.09705	6.0
173.13287	23.2
175.11139	10.4
175.14839	4.3
181.10127	7.9
183.11722	14.8
185.09737	5.5
185.13271	17.3
187.11250	5.1
187.14903	11.6
189.12830	9.2
191.10747	5.3
191.14308	5.1
193.12167	4.3
197.13261	8.1
199.14848	6.5
201.12752	5.1
209.13310	4.6
211.14825	6.9
259.20453	7.3
273.22141	8.4
277.21719	7.4
285.22119	7.7
289.21600	10.2
291.23077	4.7
301.21619	17.0
303.23315	5.0
313.21671	7.5
315.23285	14.2
319.22766	15.4
327.22968	4.8
331.22650	6.2
341.24704	8.2
345.24289	5.8
351.23163	12.1
359.25839	6.3
369.24231	47.7
387.25220	43.6
393.51105	4.6
405.26401	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03941	11.6
55.01867	11.5
55.05516	38.9
57.03436	8.6
57.07064	8.7
65.03939	6.2
67.05509	83.1
69.03435	36.6
69.07074	27.8
69.51882	12.8
69.52287	9.8
71.04990	10.5
72.29159	3.7
78.03874	3.5
79.05071	5.9
79.05501	77.5
81.03433	29.0
81.06586	6.3
81.07057	95.8
83.04991	17.5
83.08609	14.1
85.02909	12.1
91.05485	88.9
93.06482	6.1
93.07044	81.5
95.04969	17.6
95.08614	72.9
97.02885	12.8
97.06535	8.6
97.10172	3.3
99.04454	10.8
105.04573	5.6
105.07038	79.2
107.04959	10.3
107.08598	53.4
109.02877	7.2
109.06520	14.8
109.10168	24.5
111.04433	11.6
112.27396	3.5
115.03969	3.9
115.05448	8.0
117.07030	44.3
119.08595	61.7
121.06481	14.4
121.10151	31.1
123.08051	9.6
123.11716	9.4
125.09592	4.7
127.03922	9.4
128.06230	4.4
129.05481	7.9
129.07033	27.0
130.07764	5.0
131.08578	59.0
133.06473	12.6
133.10135	41.8
135.08060	10.8
135.11719	25.7
137.05942	7.7
141.06976	6.6
142.07793	6.6
143.08575	28.2
145.06448	11.3
145.10123	43.8
147.08060	17.1
147.11699	28.9
149.09598	11.1
149.13254	12.3
151.07524	6.0
155.08521	14.5
156.09399	4.1
157.06601	7.8
157.10147	28.4
159.08051	7.3
159.11685	36.4
161.09630	9.3
161.13219	17.6
163.11304	4.9
163.14870	4.5
169.10155	12.2
171.08044	8.7
171.11671	15.6
173.09645	7.0
173.13278	21.6
175.07561	4.5
175.11197	12.1
175.14879	7.0
177.12715	5.0
181.10130	4.6
183.11641	9.9
185.09634	4.0
185.13321	20.8
187.11140	9.4
187.14824	12.2
189.12761	7.2
195.11739	7.6
197.13232	9.5
199.11191	4.4
199.14857	8.1
201.12782	6.1
203.10693	4.5
203.14217	4.4
211.14798	7.2
213.12775	6.3
213.16440	6.5
215.14478	5.2
223.14896	4.2
225.12668	6.1
227.17917	4.0
245.15318	3.7
259.20618	8.9
261.22180	4.2
271.20276	4.5
273.22153	4.1
277.21634	13.3
285.22177	5.7
289.21545	10.0
291.23160	6.5
301.21512	18.4
313.21796	4.5
315.23288	8.3
319.22678	12.6
323.23843	4.6
327.23080	9.6
331.22632	5.6
341.24557	6.9
345.24176	8.8
351.23212	12.0
369.24274	43.3
387.25302	46.3
405.26328	100.0
405.31668	6.2
406.26788	4.7
425.30411	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	405.2638
Annotation	Stolonoxide E
Peak:m/z	Relative Intensity
53.03956	11.0
55.01880	12.0
55.05268	2.2
55.05515	34.1
57.03437	11.0
57.07067	5.4
60.62566	1.5
65.03942	4.7
67.05510	74.8
69.03439	27.2
69.07075	28.0
69.26795	7.2
69.27225	7.2
71.01373	2.4
71.04999	12.5
73.02902	2.7
73.06564	2.3
79.05499	65.9
81.03427	28.7
81.07062	82.3
83.04992	16.0
83.08630	13.2
85.02925	12.6
85.06525	4.1
87.04462	2.0
91.05487	75.4
93.07050	74.2
95.04989	13.8
95.08614	57.9
97.02874	12.8
97.06521	7.7
97.10160	6.6
99.04454	8.0
99.08093	3.3
103.05467	4.8
105.04481	2.8
105.07037	81.1
106.07323	1.8
107.04946	11.9
107.08603	43.3
109.02885	4.0
109.06532	10.8
109.10169	23.8
111.04460	15.1
111.08092	4.0
115.05465	5.5
116.06200	2.9
117.06235	3.1
117.07027	41.5
119.04919	2.3
119.08590	55.5
121.06500	8.6
121.10158	34.1
123.04446	5.3
123.08079	6.7
123.11720	7.9
125.09630	4.3
127.03917	5.4
128.06236	7.2
129.05467	4.6
129.07021	27.5
130.07794	3.6
131.04927	2.3
131.08574	57.6
133.06509	9.7
133.09135	2.0
133.10144	41.3
135.08098	10.6
135.11700	21.8
137.09613	3.8
137.13335	2.2
139.11206	2.4
141.06981	7.8
142.07771	5.2
143.08572	25.1
145.06502	9.8
145.10135	49.1
147.08054	12.8
147.11707	29.9
149.05939	2.5
149.09610	8.0
149.13257	12.3
151.07536	3.5
151.11131	1.9
153.07036	2.0
153.09090	2.3
154.07756	2.3
155.08566	11.3
156.09377	3.0
157.06511	4.8
157.10129	21.3
157.78818	1.5
159.08090	10.0
159.11697	34.8
161.06000	1.9
161.09645	7.5
161.13283	16.9
163.07562	3.6
163.11171	4.5
163.14807	5.0
165.06940	2.6
165.12814	1.6
167.08530	5.8
169.06479	1.7
169.10147	14.4
170.07285	2.0
170.10892	1.9
171.08043	5.4
171.11717	20.0
173.09639	4.5
173.13255	19.4
175.07509	2.4
175.11179	7.7
175.14871	6.2
177.12717	3.6
177.16394	1.9
179.08519	2.2
180.09264	1.8
181.10104	6.6
183.08067	2.4
183.11720	10.4
185.09663	5.0
185.13222	13.6
187.11235	5.8
187.14850	11.4
189.09131	2.4
189.11096	1.9
189.12749	6.5
189.16385	3.0
191.10684	2.1
191.14355	1.8
193.10167	2.6
193.12180	2.2
195.11633	4.4
197.09583	5.0
197.13303	7.2
199.11230	4.5
199.14914	10.8
201.12729	5.6
201.16466	2.0
203.10638	2.0
203.14394	3.6
207.13692	2.0
209.13306	5.0
211.11232	2.0
211.14830	4.7
213.12788	5.8
213.16418	3.8
215.14273	2.8
217.15913	3.2
219.13765	3.2
223.14940	3.8
223.16779	2.1
225.12814	3.9
227.14354	4.7
229.12366	1.9
231.13678	1.6
235.14932	2.2
239.14278	3.4
241.15955	2.1
241.19632	3.6
247.17096	2.3
255.21130	3.3
259.16980	1.9
259.20609	8.6
261.22281	3.2
271.20673	4.5
273.18869	1.6
273.22162	7.5
275.20029	2.5
277.21710	7.1
283.20636	2.4
285.22235	6.6
287.20126	2.9
289.21671	14.1
291.23221	5.7
297.22263	2.4
299.23648	3.3
301.21600	16.0
303.23151	10.2
311.19919	2.5
313.21649	5.7
315.23184	13.5
317.21436	1.8
317.24832	3.3
319.22650	9.8
323.23666	4.0
327.23212	9.7
331.22733	7.2
341.24713	13.0
345.24228	11.7
351.23138	13.7
359.25842	5.8
369.24268	54.0
387.25275	48.0
405.26392	100.0
406.26721	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.07087	6.2
63.16359	0.9
67.05489	2.7
69.07058	3.6
69.17931	5.3
69.18352	5.0
71.08641	5.2
75.63260	0.8
79.05475	2.0
81.07056	7.6
83.08616	2.2
85.10174	2.3
86.65150	1.0
87.04434	1.0
87.82511	1.0
89.06017	1.2
91.05461	2.5
93.07031	4.8
95.08616	6.5
105.07007	2.2
107.08598	5.5
109.10124	3.9
111.04449	92.2
111.11710	1.3
119.08560	2.6
121.06442	1.2
121.10126	3.1
123.11693	2.1
125.06017	1.8
131.08565	1.5
132.08873	1.1
133.10144	1.7
135.08076	1.1
135.11659	1.8
139.03908	100.0
139.07513	2.1
143.08507	1.1
145.10153	1.6
147.11638	1.5
149.09605	1.5
149.13281	1.4
153.05438	4.1
157.10106	1.7
159.11697	2.6
163.11206	2.3
163.14661	1.1
167.06969	1.9
167.10588	1.1
173.13390	1.1
181.08583	3.0
181.12155	1.1
195.10136	3.6
209.11624	2.2
237.14804	1.3
251.16299	2.9
265.17953	2.9
275.90469	1.0
279.19489	2.6
293.20981	2.1
293.92670	1.1
301.98395	1.1
321.24316	2.5
335.25797	2.6
349.27393	1.8
359.33038	1.5
377.33850	3.0
405.33627	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	405.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85014	4.0
55.05514	16.9
57.03436	12.6
57.07080	100.0
59.28945	3.8
67.05505	16.8
69.03431	7.7
69.07069	24.1
71.04994	14.4
71.08637	71.1
79.05469	20.2
81.03407	6.5
81.07066	27.9
83.04973	8.2
83.08634	13.5
85.06558	5.0
85.10181	38.3
91.05492	17.5
93.07043	29.5
95.08629	23.9
97.06525	20.9
97.10197	8.9
98.20801	8.4
105.07043	15.9
107.08608	25.8
109.06562	6.2
109.10167	22.0
111.04472	6.3
111.08114	15.5
119.08553	12.2
121.10162	17.3
123.08085	5.1
123.11713	8.7
125.06015	20.3
125.09650	16.3
129.07014	5.6
131.08553	10.5
133.10155	9.9
135.08086	9.5
135.11687	11.6
139.07538	13.8
139.11134	6.1
143.08589	4.5
145.10161	14.1
147.08089	5.1
147.11699	9.0
149.09612	15.9
149.13263	8.0
153.05496	13.8
153.09140	17.1
157.10168	7.0
159.11670	11.5
161.13257	5.2
163.07593	9.4
163.11206	15.7
163.14896	5.8
164.61171	4.2
165.09143	5.7
167.07039	18.5
167.10672	6.1
171.11687	4.7
173.13298	9.1
177.09108	13.9
177.12762	7.6
179.10724	6.8
181.08600	32.1
185.13222	8.7
191.10696	14.3
191.14284	6.0
193.12326	6.1
195.10175	33.3
201.16443	10.1
205.12259	8.9
205.16017	5.0
209.11781	23.1
209.13461	4.4
219.13896	5.7
223.13406	21.5
233.15367	5.8
237.14828	19.6
247.17032	8.2
251.16495	12.9
261.18369	8.9
265.18060	19.4
279.19568	19.3
293.21173	14.4
298.17075	4.4
307.22662	7.7
321.24271	5.5
335.25873	8.8
349.27362	6.7
350.58063	4.7
369.24316	6.3
387.25275	9.7
387.32791	7.6
405.26385	15.7
405.34869	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	406.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.4
55.05500	1.8
56.05042	6.2
57.03430	3.7
58.99591	11.5
61.01160	1.3
64.96497	0.8
68.05013	1.2
69.07066	1.5
70.06583	1.8
70.95313	2.3
71.27415	0.7
72.08157	1.5
73.01145	2.1
74.00666	1.6
76.01842	1.4
76.02240	20.4
76.04002	2.7
79.05503	4.3
81.07063	18.0
81.55941	0.8
83.06104	1.6
84.04511	26.6
84.08141	1.6
85.01147	4.3
86.00680	5.3
86.99056	6.6
87.02700	7.9
88.02232	2.2
93.07050	1.0
94.06538	1.0
95.08614	3.7
97.01129	1.5
97.06510	1.7
98.09696	11.3
99.08131	4.4
102.05560	5.5
105.07032	1.7
108.08112	1.1
110.09647	2.0
112.03957	3.8
113.04239	6.1
115.05807	1.4
116.00912	1.4
116.01696	24.6
122.09663	1.4
127.05771	1.6
129.06613	4.8
130.04997	7.0
130.06918	4.4
130.08624	1.0
139.05759	1.5
142.03209	1.8
144.01172	10.4
155.68063	0.9
156.08434	19.0
156.10214	13.7
157.06831	9.2
162.02226	22.4
170.02765	1.3
174.09509	12.1
179.04871	11.6
189.03323	2.3
210.11273	3.0
216.06915	5.2
233.05891	1.6
259.11148	100.0
260.09357	1.4
277.12323	1.2
313.12155	4.1
331.13312	5.9
343.13364	1.0
379.55603	0.9
388.15381	2.0
406.16452	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20188	0.8
51.60888	0.8
55.01872	2.6
55.05505	1.8
56.05040	7.3
56.25975	0.8
57.03431	3.9
58.99341	0.9
58.99592	12.0
60.57813	1.0
67.05458	1.1
68.05030	1.2
69.07055	1.6
70.06594	2.5
70.13560	2.8
70.13970	1.6
72.08156	1.6
74.00655	2.6
76.02235	22.8
76.04020	2.1
79.05490	5.0
81.07063	16.2
83.06097	1.3
84.04511	24.2
84.08129	2.0
85.01138	3.0
86.00642	5.6
86.09733	1.1
86.99058	7.0
87.02706	6.4
87.03178	1.4
88.02209	2.1
94.06577	1.2
95.08589	2.4
96.08127	0.9
97.06516	1.8
98.09694	12.5
99.08111	4.4
102.05544	3.7
105.00080	0.9
105.07022	0.9
110.09682	2.7
111.08092	1.2
112.03956	2.9
113.04250	7.5
115.05821	1.6
116.00899	1.6
116.01688	25.4
122.09676	2.3
129.06593	3.3
130.05017	7.2
130.06889	5.7
130.08647	2.0
139.05725	1.6
142.03204	3.3
142.05011	1.5
144.01143	8.0
145.06053	1.8
156.08423	21.2
156.10204	12.2
157.06819	9.2
162.02213	21.5
170.02702	0.8
174.09480	14.2
179.04871	7.5
189.03308	1.7
210.11189	2.0
215.04790	1.2
216.06924	5.5
233.05881	1.4
245.05888	1.3
259.11136	100.0
260.09268	1.6
260.11581	2.4
285.12628	2.2
313.12189	4.4
331.13342	5.9
359.10059	1.0
406.16278	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88801	4.4
55.01868	6.1
55.05507	20.5
56.96553	6.4
67.05499	16.4
69.03432	12.0
69.07060	11.5
70.06586	44.8
71.51214	8.8
72.08167	13.2
76.02219	11.8
79.05489	10.7
81.07072	26.0
83.04975	20.0
84.04499	17.7
84.08163	33.9
85.02895	18.1
85.06568	6.9
86.09715	38.9
91.05478	15.6
93.07019	7.7
95.04970	12.4
95.08601	19.7
97.02879	5.9
97.06545	7.1
97.10163	5.0
98.97572	35.9
105.07055	9.3
107.04973	6.0
107.08590	18.9
108.17136	5.6
109.02884	6.2
109.06509	26.1
109.10163	20.6
116.01672	7.9
116.98650	6.7
119.08600	8.6
121.10124	27.9
123.08038	13.2
125.09593	11.5
127.04018	6.8
129.10275	12.4
132.10210	9.1
133.10153	25.9
135.08054	6.8
136.07526	6.0
147.11710	14.5
149.13223	12.7
151.07613	6.4
151.11212	16.6
158.99680	10.9
162.02257	8.4
163.14874	12.3
167.06998	10.2
167.14294	18.9
173.13350	7.6
174.09494	6.0
175.14848	6.0
177.05606	5.1
181.05116	6.9
189.12761	8.7
191.14258	17.3
207.06537	7.5
209.15370	100.0
222.08171	7.1
227.95934	6.9
259.10992	27.9
263.09402	6.9
323.11627	12.6
347.62872	5.8
406.17084	5.3
425.14755	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	406.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	10.1
57.03438	3.0
58.15741	3.7
63.74372	3.2
65.03941	3.2
67.05500	5.4
69.03432	6.4
69.85959	18.7
70.06593	21.4
71.05005	4.5
72.08138	5.6
76.63226	2.9
79.05498	7.5
83.04973	10.7
83.08634	10.4
84.04514	5.2
84.08138	11.2
85.02908	14.3
85.06525	3.5
86.09694	18.2
91.05492	6.4
93.07058	3.6
95.04971	77.1
95.08616	4.9
97.02926	4.0
98.20811	4.8
99.04458	18.9
100.62725	3.5
107.04948	8.0
107.08592	4.1
109.06494	4.1
109.10139	4.9
110.07183	3.9
110.34921	3.5
116.15930	3.0
119.08581	6.9
121.10139	6.1
127.03911	3.0
129.10257	7.4
130.16112	3.1
133.10106	10.9
136.07552	3.5
137.05983	8.9
145.05025	3.4
151.03989	3.5
151.11182	18.5
153.09125	32.0
167.07004	6.8
167.14323	13.2
173.13268	4.8
175.14832	4.3
177.21709	2.7
181.04971	18.1
182.05287	11.8
183.01054	3.1
190.09373	4.3
191.14336	7.4
209.15395	100.0
218.06024	3.6
227.12761	3.4
227.16316	5.0
233.08118	8.9
234.08418	9.2
259.11188	5.8
291.29129	3.4
317.08554	3.6
323.83588	3.8
388.14435	11.5
388.19025	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	406.244
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09925	17.4
69.67319	17.1
70.06602	100.0
70.80093	22.2
70.80423	37.1
71.04986	22.9
72.08172	26.2
74.91178	15.7
81.07056	23.4
84.08139	57.7
85.02930	29.4
86.09698	50.6
89.63465	18.5
91.05491	39.3
95.04982	29.0
97.06551	21.7
105.07043	29.7
109.06532	45.0
119.08533	19.1
121.10123	23.0
123.58752	16.3
128.77969	19.8
129.10229	41.1
133.10138	79.0
137.05925	21.6
141.01791	19.2
167.07094	18.8
173.13188	24.3
174.48950	20.8
181.05005	28.3
191.14255	33.9
199.91797	18.9
209.15410	72.6
227.12976	19.5
227.16362	64.7
277.13541	17.0
432.06387	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	407.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
52.20484	0.4
53.03947	4.3
55.01860	0.8
57.03420	0.8
63.36263	0.4
65.03943	0.7
67.05492	0.7
69.03086	0.6
69.03437	9.2
70.06593	0.9
70.82051	0.9
71.04993	3.0
79.05518	0.5
81.03423	39.8
81.07048	1.2
83.01350	1.2
85.02914	6.1
89.03899	0.4
91.05486	100.0
92.05803	0.9
93.07037	0.8
95.08632	1.1
97.02921	3.3
99.04459	7.3
105.07031	1.5
107.04993	0.4
107.08601	0.4
109.02887	17.2
109.10175	0.8
115.05463	14.2
117.07016	2.9
119.04976	1.2
119.08602	0.9
121.06468	0.6
121.10210	0.7
127.03926	41.5
129.07007	0.5
131.08583	1.5
133.06499	1.8
135.11699	0.6
137.77998	0.5
141.05499	0.4
141.06982	0.4
143.04913	2.3
145.04984	6.5
145.06490	1.0
145.10179	0.7
147.04405	0.5
147.08063	1.1
157.10179	0.4
159.11685	0.7
161.05984	13.2
169.05005	2.7
171.04405	3.4
175.07549	5.3
175.14851	0.5
179.07042	6.8
185.13272	0.4
187.06044	8.4
189.05508	1.1
193.08621	20.6
197.13229	0.4
203.07051	3.9
215.05499	0.9
221.08167	0.8
223.07544	0.4
241.08728	0.4
283.09738	0.5
315.08884	0.4
347.11569	0.5
362.59717	0.4
385.53372	0.4
407.13522	2.1
407.37064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77146	1.8
55.05494	8.2
57.07085	12.3
67.05501	13.0
69.06727	2.8
69.07071	31.9
71.08643	14.8
79.05495	9.1
81.07061	36.4
83.08594	6.8
85.10222	1.9
89.06032	5.4
91.05501	8.6
93.07049	14.4
95.04942	2.7
95.08613	50.2
97.10128	3.2
105.07040	16.8
107.08587	18.7
109.10162	21.1
111.11716	5.6
112.99992	4.6
114.40633	1.9
117.06984	2.7
119.08592	13.0
121.02875	4.7
121.10144	16.2
123.11713	9.6
129.07059	3.2
129.12680	2.0
131.08563	11.7
133.08606	2.3
133.10126	14.8
135.11711	10.9
137.13251	23.6
143.08534	5.8
145.10106	11.6
147.11716	13.8
149.02356	100.0
149.13246	10.2
151.14706	2.5
157.10123	7.6
159.11684	14.9
161.13211	6.8
163.14810	5.3
167.03400	6.2
169.02579	4.8
169.10136	3.8
171.11691	6.1
173.13289	6.8
175.14825	5.0
177.16353	4.9
183.11623	2.1
185.13217	6.3
187.14816	6.0
189.16402	5.7
191.18022	3.2
199.14877	5.5
201.16373	5.7
203.18013	3.4
205.19423	2.6
213.16373	5.6
213.66920	1.8
215.17953	5.5
217.19536	2.0
227.17981	8.7
229.19489	6.0
255.21040	6.8
257.22733	4.5
269.22604	5.7
273.04333	2.2
283.24231	6.0
323.27545	2.9
351.30557	2.2
407.28809	3.1
407.36981	49.8
427.04996	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2793
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
51.02362	2.4
53.03936	9.9
55.01877	13.6
55.05273	2.5
55.05516	39.4
57.03425	9.0
57.07084	14.4
60.23698	2.3
65.03942	7.0
67.05508	100.0
69.03433	32.5
69.07073	33.7
69.26558	14.7
69.26970	4.7
69.60296	2.9
71.01341	4.0
71.04988	7.8
71.08614	8.7
71.10684	2.4
73.02901	5.9
79.05496	65.9
81.03423	37.3
81.07063	98.9
83.04994	15.9
83.08624	19.1
85.02914	16.4
85.06536	5.6
87.04447	2.4
91.05489	55.3
93.06486	4.3
93.07050	76.5
94.75612	2.4
95.04977	19.1
95.08616	74.5
97.02898	16.1
97.06533	7.4
97.10165	7.9
98.21523	5.4
99.04456	7.3
99.08086	6.5
103.05447	3.9
105.07037	75.3
107.04958	11.0
107.08601	35.5
109.02877	8.2
109.06513	7.8
109.10168	31.7
111.04462	10.9
111.08095	5.3
114.59180	2.1
115.03981	2.8
115.05396	3.6
117.07026	22.2
119.08593	44.2
121.06519	10.4
121.10140	24.8
123.04415	6.2
123.08071	6.0
123.11717	12.6
125.09634	5.3
127.03933	4.1
128.06189	2.3
129.05467	4.0
129.07021	16.6
130.07785	2.4
131.08566	38.0
133.06493	9.0
133.10143	23.9
135.08040	7.3
135.11705	17.0
137.06001	4.8
137.09604	2.7
137.13232	5.3
139.11203	4.2
141.06999	6.3
143.08577	13.3
145.06487	9.4
145.10129	27.3
147.08054	9.9
147.11671	17.3
149.06020	3.4
149.09625	3.6
149.13248	12.2
151.11160	6.4
155.08546	5.4
157.06442	3.7
157.10158	10.7
158.72995	2.1
159.08054	8.6
159.11697	13.6
161.09634	6.0
161.13237	14.2
163.07518	3.6
163.11192	3.4
163.14824	8.5
165.12781	5.9
165.16354	2.3
167.08537	2.8
169.10149	6.2
171.08018	4.2
171.11674	7.4
173.09633	5.2
173.11986	2.7
173.13223	13.8
175.14815	9.5
175.99348	2.4
176.71877	2.3
177.12782	6.8
177.16376	3.3
179.14275	2.3
183.10254	4.1
183.11691	2.9
185.13295	5.1
187.11194	4.4
187.14807	12.2
189.12761	3.6
189.16388	4.8
191.14244	7.2
193.12225	3.1
195.13869	2.7
197.13159	4.3
199.11176	3.3
199.14835	6.2
201.12820	2.6
201.16370	9.3
203.14380	2.8
203.17833	3.1
205.15831	4.4
207.13817	2.9
211.14845	3.0
213.16338	2.6
215.14320	2.4
215.17932	3.4
217.15916	2.4
225.16420	2.7
229.15909	5.3
243.21266	2.3
245.15457	2.4
247.16910	2.7
255.17575	2.9
255.21173	2.6
257.22437	3.4
259.16989	2.9
261.22183	5.2
269.22565	4.1
273.22055	5.0
275.23660	10.8
285.22131	4.0
287.23706	7.3
291.23141	9.9
293.24777	3.7
299.23743	5.3
301.25040	2.9
303.23203	18.5
305.24753	6.8
315.23233	4.3
317.24756	13.4
321.24185	13.0
325.25363	4.3
329.24817	7.1
333.24304	4.9
341.24783	2.3
343.26337	9.4
345.24112	2.7
347.25739	5.6
353.24637	15.0
354.67056	2.5
361.27435	4.6
371.25858	49.4
389.26837	32.6
407.27982	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84015	1.7
51.36573	1.9
53.03934	2.1
55.05508	7.9
57.07071	13.2
67.05515	13.7
69.07072	29.2
71.08630	13.0
71.52079	3.4
73.34144	1.7
79.05498	7.2
81.07054	32.7
83.08622	8.0
85.10188	2.3
89.06030	8.0
91.05491	10.0
93.07052	16.0
95.04981	2.1
95.08607	45.8
97.06567	2.2
97.10147	3.7
105.07023	15.9
107.08582	17.3
109.10156	21.8
111.11739	5.3
113.00008	6.2
117.07008	3.4
119.08562	16.3
121.02884	4.6
121.10123	14.9
123.11732	11.2
129.07011	2.2
129.12775	3.7
131.08582	10.2
133.10136	14.5
135.08066	2.6
135.11696	9.7
137.13257	16.9
143.08553	6.3
145.10081	16.3
147.11678	10.4
149.02347	100.0
149.13290	8.0
157.10146	10.2
159.11678	10.5
161.13324	6.0
163.14900	3.8
164.81255	2.0
167.03438	6.1
169.02576	5.1
171.11708	7.3
173.13239	9.7
175.14877	2.8
177.16463	4.8
183.11621	3.0
185.13324	5.9
187.14862	6.4
189.16385	6.9
199.14833	5.7
201.16411	8.1
203.18008	3.0
213.16360	3.5
215.18019	5.7
227.18024	3.2
229.19528	6.4
241.19463	2.8
255.21161	2.6
257.22696	3.4
269.22720	2.8
283.24142	5.1
351.30374	3.9
407.37036	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11055	3.3
55.01877	3.5
55.05503	19.5
57.07076	16.3
59.32004	3.2
67.05507	26.8
69.07063	17.8
69.31394	28.2
71.04993	18.2
71.05325	3.0
71.08630	9.0
79.05480	18.0
81.07069	50.4
83.08626	11.9
83.91275	2.6
85.06534	4.2
85.10184	7.5
89.06045	17.1
89.96301	2.7
91.05481	17.6
93.07040	52.0
95.05008	6.3
95.08611	65.3
97.10180	7.4
98.20817	7.6
105.07035	45.0
107.08591	39.9
109.06544	8.3
109.10163	43.1
111.08102	8.5
115.87506	2.8
117.07038	10.2
119.08582	49.7
121.10146	38.1
123.11731	14.1
125.06020	11.7
129.07071	6.8
131.08548	19.6
133.08614	10.8
133.10139	34.5
135.11668	17.5
137.09587	5.4
137.13277	6.0
141.06929	3.0
143.08582	13.6
145.10120	44.9
146.10806	3.0
147.11676	27.3
149.13313	14.8
155.08496	3.2
156.09334	4.3
157.10146	16.4
159.11716	51.1
161.13263	19.1
163.14804	5.9
169.10132	8.3
171.11671	23.6
172.12430	5.8
173.13284	28.9
175.14824	9.1
183.11743	4.3
185.13226	17.9
187.14827	27.6
189.16402	11.2
195.11867	3.8
197.13235	6.8
199.14799	14.9
201.16367	19.6
203.17998	6.5
211.14790	7.2
213.16400	22.6
215.17986	23.8
217.19569	4.2
225.16360	4.6
227.18045	14.7
229.19484	7.1
235.14680	3.1
239.15082	3.5
253.19652	5.0
255.21039	10.7
257.22781	16.2
267.21085	3.8
269.22607	6.5
270.23480	3.2
281.22604	5.6
323.27286	6.2
337.25067	3.6
349.28806	7.0
351.26831	4.1
389.81577	3.4
407.27869	4.5
407.32892	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.05507	15.2
55.93510	2.7
57.07060	10.1
59.05000	3.2
67.05504	25.7
69.07066	18.6
69.52468	13.3
69.52882	4.7
71.05003	18.8
71.08636	6.8
79.05508	21.5
81.03400	3.8
81.07066	67.5
83.08604	7.9
85.06553	5.4
85.10162	3.4
89.06044	19.5
91.05487	25.1
93.06485	4.2
93.07047	57.8
95.04950	7.1
95.08615	61.4
97.10168	6.9
105.07039	59.0
107.08604	47.8
109.06526	7.2
109.10168	39.0
111.08096	14.9
113.09644	4.5
117.07038	8.2
119.07822	4.5
119.08595	54.1
121.10150	40.4
123.11713	17.3
128.06178	4.0
129.06950	6.3
131.08586	29.9
133.08571	6.0
133.10147	29.3
135.11711	23.3
137.09621	7.2
137.13318	3.3
142.07787	6.0
143.08545	18.4
144.09351	4.5
145.10129	46.1
147.11716	30.4
149.09648	3.2
149.13280	17.9
151.11244	4.3
155.08559	4.9
156.09290	4.0
157.10118	24.4
158.10905	3.3
159.11703	52.5
159.41167	3.0
161.13283	19.3
163.14809	10.3
169.02568	3.3
169.10107	9.7
171.11694	21.8
173.13289	35.7
175.14830	10.4
177.16376	5.4
180.09554	2.6
181.10068	3.5
183.11696	11.2
185.13243	17.2
185.14661	2.8
187.14832	24.6
189.16374	11.2
196.12402	2.8
197.13292	8.2
199.14803	18.9
201.16385	25.3
203.18008	6.4
209.13258	6.2
211.14798	9.2
213.16415	21.4
215.18021	16.3
217.15945	3.4
217.19473	3.4
222.72479	2.8
223.14832	3.2
225.16425	9.9
227.17926	11.6
229.19540	8.9
237.16299	2.8
239.15111	3.3
239.17943	10.4
241.19403	4.5
251.18002	4.5
253.19511	7.9
255.21165	11.0
257.22665	16.1
265.19376	3.3
267.21066	4.4
269.22543	7.5
270.23331	4.7
281.22632	8.1
283.20493	4.8
297.22205	4.7
322.18619	2.5
323.27234	7.7
333.15033	4.9
333.25705	2.7
347.27118	3.6
349.28830	11.2
389.32175	13.5
407.11975	2.7
407.24652	6.0
407.33041	100.0
408.33118	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	407.331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22783	4.1
53.03954	8.3
55.05518	27.9
57.07079	6.7
67.05511	44.8
69.07075	25.1
71.05001	25.7
79.05497	29.2
79.51258	4.2
81.07063	100.0
83.08617	14.3
85.06507	4.5
85.54566	4.3
89.06048	12.0
91.05478	40.6
93.07051	81.6
95.04998	5.4
95.08620	80.9
97.06535	5.8
102.03103	4.7
105.07042	71.2
107.08604	66.4
109.06527	7.3
109.10162	43.5
111.08095	14.8
113.09676	7.7
117.07032	16.3
119.08590	83.5
121.10158	66.2
123.11721	20.6
129.07021	6.3
131.08580	38.3
133.08646	8.6
133.10133	53.1
135.11729	26.2
137.09645	11.8
143.08595	19.3
144.09302	6.0
145.10136	44.3
147.11699	52.5
149.13287	19.4
155.08585	5.1
156.09322	7.0
157.10133	30.4
159.11716	65.7
160.12393	5.8
161.13239	35.5
163.14870	14.6
169.10132	6.7
171.11679	25.1
173.13293	49.6
175.14841	16.8
183.11769	6.7
185.13297	25.4
187.14845	48.2
189.16376	38.7
189.91589	5.6
195.11823	5.1
197.13289	10.8
199.14839	20.0
201.16376	23.4
203.17995	6.5
211.14882	11.2
213.16417	27.7
215.18039	15.9
217.19521	7.5
225.16502	8.6
227.17967	21.1
229.19562	8.9
239.17976	8.1
243.21046	5.2
253.19585	10.0
255.21127	9.2
257.22662	15.3
269.22775	4.6
323.27267	8.0
333.15158	13.5
389.31683	8.8
407.11447	5.2
407.24432	9.0
407.32764	74.5
407.36792	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	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05307	3.8
55.05517	40.3
57.07074	42.6
59.79762	3.7
60.42285	3.6
67.05498	30.2
69.07065	70.5
71.08627	31.6
79.05507	27.2
81.07059	70.4
83.08619	39.8
85.10180	13.4
89.06026	7.1
91.05474	16.8
93.07043	28.8
95.08609	100.0
97.06525	5.2
97.10172	22.9
99.04486	8.0
105.07009	25.2
107.08589	37.5
109.06496	16.0
109.10162	52.8
111.04440	18.8
111.11713	14.0
119.08581	31.5
121.10149	34.8
123.04441	4.4
123.08099	9.8
123.11722	25.6
125.06001	44.4
131.08589	5.9
133.10144	21.8
135.07982	5.9
135.11681	21.8
137.05977	61.9
137.09595	14.0
137.13239	15.6
139.07553	4.2
141.05499	9.8
145.10141	10.1
147.11723	24.9
149.09573	6.1
149.13272	15.1
151.07532	13.6
151.11206	7.0
151.14868	6.6
153.09145	4.6
159.11678	16.2
161.09634	5.1
161.13277	11.6
163.11148	7.3
163.14835	10.5
165.09137	19.8
165.12798	5.8
167.10660	9.1
171.11656	5.2
173.13268	12.7
175.11281	7.1
175.14844	15.9
177.16359	10.3
179.10689	21.7
179.14305	4.3
181.12230	10.5
187.14729	6.3
189.16403	11.4
191.17960	9.2
193.12201	21.5
195.13794	12.1
197.11758	9.0
201.16414	8.3
203.17996	13.8
207.13826	14.0
209.15381	5.4
211.13385	5.5
215.18039	7.1
217.19473	7.8
221.15331	17.6
229.19525	7.6
235.16956	16.4
239.16559	6.2
245.22635	4.7
249.18442	13.8
251.20084	6.7
253.18039	4.9
263.20050	14.6
267.19617	8.4
277.21625	12.0
281.21100	5.5
291.22989	6.0
295.22586	5.3
305.24680	9.1
317.28314	6.2
319.26346	8.0
333.27750	10.7
347.88318	4.7
361.34976	4.9
389.34070	24.9
402.51694	4.9
407.36642	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	20.5
57.06841	2.7
57.07079	24.4
67.05502	12.2
69.07079	33.2
71.05012	3.2
71.08633	14.0
79.05500	4.4
81.07069	32.9
83.08628	20.3
85.10191	8.9
89.06037	7.4
91.05461	3.9
93.07040	11.0
95.08607	27.9
97.10184	12.8
98.21465	7.4
99.04452	76.7
105.07026	9.7
107.08607	9.6
109.06498	4.8
109.10188	16.3
111.11731	7.6
116.49026	2.9
119.08569	12.4
121.10166	8.5
123.08070	7.0
123.11708	8.2
125.06001	100.0
131.08609	4.6
133.10184	14.8
137.05988	9.9
137.13315	5.0
145.10074	5.5
147.11707	10.7
149.09538	3.3
153.09125	4.2
159.11717	4.5
163.36092	3.0
165.09065	5.6
171.11670	3.1
175.11188	7.2
177.12775	4.6
179.10674	4.4
189.11259	3.5
189.12817	3.3
193.12262	5.7
195.12227	3.6
225.60071	3.0
365.34283	7.0
371.33023	8.9
382.81750	3.1
389.34122	69.0
407.35843	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	407.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05523	4.4
55.66612	0.8
57.07082	8.1
65.03944	6.1
67.05512	28.5
69.07076	8.6
71.04996	3.5
71.08635	8.0
79.05524	1.5
81.07073	5.3
83.08618	5.0
85.05443	0.9
85.10186	4.7
91.05511	1.7
93.07043	3.1
95.04987	14.3
95.08083	1.0
95.08592	6.0
97.06530	1.2
97.10183	3.9
99.04468	8.6
99.11766	0.9
105.03436	1.2
105.07027	1.7
107.08625	3.0
109.10171	3.7
111.11722	2.7
113.06011	3.0
118.26527	0.8
119.08590	3.1
121.10146	1.2
123.04442	18.8
123.08125	1.7
123.11690	1.2
125.06010	8.1
125.13264	0.8
129.05472	1.3
133.10135	2.7
135.11708	1.3
137.09541	1.0
139.07591	5.0
141.05481	100.0
142.05811	1.0
147.11699	1.5
149.13203	1.5
151.11179	1.6
155.07103	1.1
161.13341	1.3
173.13133	1.1
191.10466	0.9
203.17784	1.2
229.12845	1.0
347.33066	2.7
365.34116	1.3
371.33121	1.2
389.34161	8.2
407.35242	40.1
408.35355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92528	1.4
53.03955	2.0
55.05513	19.6
57.07079	19.6
65.03928	1.7
66.63368	1.5
67.05506	16.0
69.03426	2.0
69.07072	37.1
69.94429	5.6
71.04983	3.2
71.08640	12.2
79.05505	9.2
81.07059	42.6
82.94130	1.4
83.04962	2.2
83.08621	21.3
83.45311	1.2
85.10189	6.1
91.05481	9.1
93.07047	15.0
95.04962	2.2
95.08614	39.1
97.06545	1.9
97.10187	12.1
99.04462	77.5
100.04852	1.7
105.07023	16.2
107.08600	17.0
109.06525	6.2
109.10163	25.4
111.04454	1.8
111.08079	3.4
111.11725	6.2
113.06015	4.4
115.59000	1.5
117.07039	2.3
119.08588	16.7
121.06535	1.5
121.10174	11.3
123.08076	4.2
123.11703	13.3
125.05998	100.0
125.13269	2.6
131.08583	9.4
133.10155	14.1
135.08066	1.8
135.11720	7.3
137.06003	6.7
137.09628	3.1
137.13287	6.5
139.07571	2.2
143.08577	3.7
145.10097	12.9
147.08054	1.8
147.11665	10.9
149.13216	6.9
151.07568	3.0
151.14801	3.5
153.09143	2.0
156.09358	1.4
157.10185	7.6
159.11685	15.4
161.09610	3.0
161.13274	6.1
163.11177	1.9
163.14868	3.2
165.09227	2.7
165.12740	2.6
169.10130	2.2
171.11690	5.6
173.13295	7.1
175.11240	5.7
175.14888	3.9
177.12683	2.5
177.16457	2.6
179.10713	3.2
179.17865	1.6
183.11705	2.5
185.13300	3.7
187.14879	4.8
189.12703	2.1
189.16394	4.0
189.46130	1.4
191.14398	1.5
191.17914	1.5
193.12268	5.9
197.13284	2.4
199.14871	4.2
201.16370	5.1
207.13773	2.1
213.16447	7.0
215.17969	2.9
227.18047	4.0
229.19643	1.6
241.19547	2.6
243.21234	1.5
247.32524	1.3
255.21144	2.9
257.22751	1.6
291.30698	2.2
297.25754	2.9
347.32797	2.3
361.34769	2.1
365.34213	4.6
371.33133	10.6
389.34137	77.6
390.34549	2.0
407.28336	1.5
407.36633	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	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05511	13.9
57.07074	8.0
67.05513	24.0
69.06689	2.2
69.07075	42.5
70.06604	1.9
70.08146	3.2
70.08552	6.6
71.08617	3.2
79.05493	20.0
81.06591	3.9
81.07063	69.7
83.08619	16.6
89.06041	3.3
91.05473	9.3
93.07051	23.4
95.08614	63.3
97.10189	9.1
104.48312	1.6
105.07040	25.5
107.08604	39.4
109.10159	47.5
111.11728	4.2
117.07051	3.8
119.08595	31.8
121.10144	32.5
123.11727	22.5
124.14933	1.9
129.07010	2.1
131.08586	10.8
133.10139	22.3
135.11708	24.1
137.13283	13.4
141.07111	2.4
141.10225	2.6
143.08583	6.8
145.10141	20.7
147.11702	20.5
149.13243	15.1
151.14815	2.2
157.10133	12.5
159.11687	25.2
161.13243	18.4
163.13567	2.1
163.14734	8.9
171.11691	9.8
173.13290	14.9
173.25041	2.0
174.14098	2.4
175.14841	16.5
177.16432	7.2
183.11768	2.2
185.13234	13.3
185.22638	1.8
187.14828	14.4
189.16435	11.0
191.18021	4.0
197.13260	2.1
199.14790	9.6
201.16287	10.2
203.17995	7.8
211.14874	2.9
213.16374	8.2
215.17868	12.7
217.19522	4.6
225.16429	2.3
227.17943	11.8
228.18660	2.9
229.19484	9.9
239.18027	2.6
241.19586	6.9
243.21095	4.3
245.22743	2.1
253.19446	3.4
255.21086	5.5
257.22717	4.7
266.52032	2.0
269.22726	7.2
281.22729	2.6
283.24280	4.7
285.25769	2.7
295.24350	2.8
297.25934	5.9
311.27112	2.1
323.27255	3.8
325.28918	5.2
337.28970	3.0
351.30624	5.3
365.31921	3.2
393.51822	1.9
407.36765	100.0
408.37170	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	407.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
55.05509	14.7
57.07063	8.8
60.50159	2.4
62.95847	1.8
67.05508	22.5
69.07069	41.3
70.76611	5.7
79.05495	12.6
81.06590	3.9
81.07056	67.5
83.08636	14.5
91.05484	6.6
91.21113	2.0
93.07046	25.1
95.08604	49.0
97.10159	4.8
105.07027	21.4
107.08595	31.5
109.10162	45.1
111.11699	4.0
119.08583	30.2
121.06490	2.2
121.10147	26.9
123.11711	23.3
131.08598	9.7
133.10141	17.3
135.11684	15.9
137.13252	10.3
143.08566	3.9
145.10135	13.8
147.11667	24.2
149.13269	12.2
151.14835	2.6
151.60999	2.1
157.10138	8.7
158.10948	2.5
159.11728	22.0
161.13283	17.3
163.14844	7.0
169.02657	2.9
171.11647	9.8
173.13289	12.7
175.14856	9.0
177.16417	7.7
182.53477	2.2
185.13283	7.8
187.14882	12.8
187.92035	1.9
189.16359	8.6
191.17963	3.4
197.13304	3.0
199.14862	9.3
201.16405	10.7
203.18002	7.0
211.14835	3.1
213.16371	8.6
213.18228	2.3
215.17944	11.3
217.19550	5.1
227.17935	8.2
229.19524	7.8
230.69769	2.2
241.19495	3.2
243.21034	6.1
255.21114	6.0
257.22720	7.1
269.22589	5.8
271.24329	2.5
281.22537	2.5
283.24088	5.1
285.25638	3.6
288.47021	2.1
297.18134	2.1
297.25812	6.3
311.27493	5.4
323.27371	2.8
325.28964	4.9
351.30496	6.7
365.32312	3.0
368.17053	2.3
389.34387	2.2
407.36734	100.0
408.36795	3.2
414.78915	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	407.3675
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03947	5.3
55.05515	18.9
56.65709	1.8
57.03436	2.3
57.07076	7.2
67.05514	37.3
69.03426	7.3
69.07071	32.7
69.85713	9.0
70.06601	14.1
71.04988	2.2
78.06957	1.8
79.05491	24.8
81.03426	7.5
81.07062	81.1
83.04975	2.8
83.08199	2.1
83.08623	11.7
84.08139	4.0
85.02908	5.7
91.05481	25.9
93.07050	51.5
95.01301	2.4
95.04976	7.6
95.08612	100.0
97.02890	2.5
97.10181	7.6
101.02399	3.6
103.05489	2.3
105.07034	60.2
107.04989	2.8
107.08602	70.6
109.02890	7.0
109.06548	4.0
109.10166	73.8
111.11723	4.7
115.05479	1.8
117.07022	6.9
119.08585	67.9
121.06522	2.8
121.10150	55.5
123.04452	2.3
123.11710	34.3
127.03915	10.1
128.06308	2.1
129.07008	3.3
131.08556	18.9
133.10135	41.8
133.11087	2.8
135.08113	3.9
135.11691	37.0
137.06055	4.8
137.13255	13.7
141.01918	4.6
141.07025	2.1
143.08595	6.0
145.10124	31.1
147.07953	1.9
147.11710	49.1
149.13248	28.7
155.08609	4.3
157.10144	12.1
158.10921	2.8
159.08092	2.8
159.11702	34.4
161.06047	3.7
161.13280	43.8
163.14803	12.0
167.07077	4.6
167.08440	2.1
169.10168	3.5
171.04453	3.0
171.11690	10.6
173.13295	13.7
175.14822	18.7
177.16412	6.6
181.10033	1.8
183.11719	5.7
185.13315	6.6
187.14844	14.0
189.16397	37.1
191.07170	2.4
191.17966	36.4
192.37546	1.9
195.11798	3.4
197.13313	4.1
199.14798	10.8
201.16449	15.5
203.17929	27.2
203.19489	2.3
205.19623	5.6
211.14929	5.0
212.15361	2.4
213.16449	8.7
213.24922	1.7
215.18001	16.5
217.19536	51.5
218.14578	1.8
219.21140	2.6
225.16504	2.8
227.01955	3.8
227.17941	7.7
229.19597	6.1
231.21156	4.1
237.16557	2.5
239.18088	2.4
241.19478	5.4
243.21138	5.4
245.22798	2.3
255.21211	8.6
257.22681	11.1
267.21106	2.1
269.22714	8.8
271.09790	2.3
271.24243	3.2
281.22775	3.4
283.09573	2.0
283.24313	6.0
296.24838	2.2
297.25809	5.1
311.27200	3.3
351.30658	4.2
365.32025	3.6
397.17068	2.2
407.14807	5.6
407.36847	99.0
408.37408	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03937	3.6
55.01874	2.3
55.05518	19.5
57.03432	1.4
57.07066	4.9
65.03938	2.2
67.05509	21.6
69.03424	3.3
69.07072	27.0
69.19380	1.4
71.05002	2.8
71.08607	2.2
76.04706	1.4
77.51762	1.3
79.05498	12.4
81.03420	2.3
81.07061	44.2
83.04968	2.6
83.08618	15.3
89.23901	1.4
91.05477	16.0
93.07047	26.8
95.04977	16.5
95.08615	70.5
97.06527	9.2
97.10169	5.8
105.07037	27.7
107.08600	35.0
109.06509	2.5
109.10165	37.7
112.36343	1.4
113.09618	3.7
115.05469	2.8
117.07041	4.6
119.08582	31.3
121.06496	3.9
121.10149	26.3
123.08061	3.9
123.11728	14.5
125.09605	2.3
128.06235	3.4
129.07002	6.4
131.08588	13.4
133.10117	22.6
135.08034	2.0
135.11687	11.6
137.13286	15.0
139.11198	5.5
141.07021	2.8
142.07773	7.7
143.08559	11.7
144.09343	4.1
145.10141	24.3
147.11674	18.1
149.13275	18.0
151.14832	3.4
155.08542	4.4
155.10632	2.4
156.09329	2.9
157.10161	15.8
158.10846	1.7
159.08104	2.5
159.11691	18.3
161.09639	3.1
161.13251	14.5
163.14844	7.1
168.09273	1.4
169.10152	7.6
170.10954	1.6
171.11687	16.9
173.13286	13.0
175.11223	2.4
175.14844	6.8
177.16386	5.2
179.08533	2.0
181.10141	4.0
181.12262	2.2
183.08133	1.7
183.11749	4.6
185.13213	10.6
186.13950	2.4
187.11139	2.0
187.14848	11.5
189.16386	11.1
191.17905	11.1
193.10196	1.8
195.11743	2.9
196.12498	1.9
197.13271	5.4
199.11188	2.5
199.14844	9.1
201.16374	12.6
203.17982	16.9
205.19467	3.6
206.87230	1.6
209.13252	3.4
211.14873	9.1
213.16422	6.7
215.14377	1.9
215.17934	11.9
217.19557	5.8
221.13408	1.8
223.14828	2.0
225.16420	2.8
227.18021	4.9
229.19720	9.5
231.21124	3.0
239.14325	2.5
239.17986	3.3
241.19565	4.9
243.21074	5.0
253.19652	3.2
255.21082	10.1
257.22678	28.5
269.22656	16.7
271.24258	1.9
281.22668	2.8
283.24246	5.7
295.24338	2.7
297.25720	4.7
298.19290	7.3
309.25812	2.4
323.27570	4.2
351.30460	2.2
368.72098	1.6
407.25729	15.2
407.36755	100.0
408.36844	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	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
55.05510	9.9
56.62073	1.7
57.07066	7.0
67.05505	17.5
68.51946	2.0
69.07076	26.7
70.00586	4.4
70.00980	3.1
70.23251	1.8
71.08629	3.7
79.05475	8.2
81.07060	34.3
81.59308	1.6
83.08597	7.9
91.05506	12.1
93.07043	21.8
95.08616	46.6
97.10175	4.7
105.07040	17.9
107.08604	23.1
109.10162	45.5
119.08595	23.5
121.09444	2.5
121.10162	25.1
123.11719	18.0
131.08594	12.7
133.08659	2.4
133.10139	16.9
135.11691	14.6
136.70848	1.8
137.13254	8.7
139.07465	4.2
143.08577	4.7
145.10141	17.9
147.11716	17.4
149.13286	13.7
151.14806	2.9
157.10110	5.4
159.11713	19.7
161.13264	16.5
163.14827	8.0
171.11687	4.4
173.13327	10.5
175.14842	8.1
177.16391	4.0
185.13277	4.9
187.14842	11.5
189.16393	11.6
191.17938	13.0
199.14862	6.9
201.16397	18.2
203.17953	20.7
205.19426	3.1
213.16394	5.4
215.17990	9.5
217.19469	9.2
225.16373	1.9
227.17941	5.1
229.19545	3.5
239.17677	2.4
241.19531	5.2
243.21117	5.4
243.80641	2.8
245.22395	2.2
253.19681	3.4
255.21074	7.8
257.22690	7.8
267.21179	2.1
269.22748	10.9
281.22784	2.1
283.24225	6.3
296.25150	2.5
297.25729	9.0
309.25769	3.4
325.29068	2.1
337.28656	2.8
351.30743	3.8
407.36774	100.0
408.37143	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	408.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88186	1.1
56.05032	2.2
57.03442	1.2
57.73092	1.0
58.06598	1.0
66.21022	1.0
69.03432	1.7
70.06590	4.3
71.06913	1.2
71.50531	1.2
74.06068	1.3
81.03410	1.1
84.04512	2.4
84.08142	2.5
85.02920	5.3
86.09653	1.3
91.05513	1.5
99.04379	1.2
107.04958	2.0
110.07184	1.1
116.07116	1.2
120.08094	2.8
123.04432	4.3
125.06003	1.4
127.03904	1.3
129.10292	1.6
130.13326	1.0
137.05962	10.1
147.04376	1.3
149.05945	2.8
152.04665	1.3
167.07050	100.0
168.07393	1.1
181.08629	1.5
193.08598	4.4
211.09634	15.7
220.00949	1.1
229.10606	8.9
272.26489	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.7
56.96568	18.1
61.02871	2.5
69.03416	9.6
70.06584	8.0
70.29705	2.7
70.98137	7.8
71.50355	4.4
72.08173	5.3
72.93782	4.3
73.02878	3.6
82.99870	9.1
84.04510	4.3
84.08150	5.6
84.96024	3.0
85.02905	13.2
86.09676	2.8
88.99167	3.8
89.00928	3.3
90.94797	3.6
97.02891	10.2
98.97601	41.1
101.00893	57.8
103.83698	3.2
107.04960	5.4
110.97562	10.0
112.99183	4.7
113.00874	19.1
115.02441	15.7
115.14042	2.7
116.98662	6.9
119.01925	48.4
119.04982	4.6
120.08096	5.0
121.01640	3.8
124.95461	6.9
127.02430	10.9
127.03950	5.4
128.02295	4.4
128.98584	10.5
129.04015	2.9
130.04996	3.1
130.96318	11.2
131.00220	3.8
131.01920	36.2
132.95866	14.5
133.03474	36.4
136.07617	5.2
139.02457	3.4
139.03922	4.7
142.96353	6.0
143.00229	4.9
143.01918	100.0
144.95836	6.5
144.98047	3.2
145.03496	25.8
145.04628	3.6
146.99582	5.6
147.01421	4.3
147.04330	6.9
147.07651	4.6
155.01872	48.1
156.97972	5.2
157.03476	17.4
158.99663	7.2
159.01468	5.9
159.04999	3.5
160.97554	5.3
161.02974	75.6
162.03038	3.4
165.00597	4.3
168.99881	23.0
169.03456	5.9
170.96080	6.7
170.99789	6.8
171.01421	21.5
171.05183	3.2
172.97504	5.4
173.02983	51.4
173.49428	3.3
174.96895	6.4
174.99167	10.4
175.00691	3.1
177.00702	4.8
178.16014	3.3
180.99875	4.7
183.01378	9.1
184.04607	3.8
184.97379	5.7
185.03024	20.4
186.96924	7.2
186.99237	5.4
187.00920	17.1
187.04498	8.1
188.97096	14.0
189.00682	7.8
189.02441	18.2
191.03975	9.5
193.00194	6.2
195.01414	5.8
196.99313	4.9
197.02951	12.6
197.04677	3.3
198.66939	3.0
199.00883	29.9
199.04610	4.7
201.00842	4.2
201.02461	20.1
202.98616	4.3
203.04051	20.0
205.00217	3.5
207.01677	3.0
207.03516	5.2
209.02985	3.6
211.11288	2.7
213.02470	9.8
215.00360	17.7
215.04008	8.2
217.00150	5.0
217.01981	29.0
219.01808	7.9
219.03519	9.8
221.05061	5.2
225.02605	3.7
228.96199	4.6
229.02014	10.8
231.03557	44.0
237.02733	4.2
241.01944	6.9
243.03558	4.7
245.05083	19.2
247.03036	9.4
249.04623	7.3
253.01953	5.3
258.95367	3.9
259.03055	15.7
259.06799	4.3
261.04617	5.0
263.06262	5.7
264.96402	8.0
271.02948	4.3
275.02621	14.1
275.05664	3.1
277.03986	3.7
288.98520	16.2
289.04025	80.4
301.04114	40.1
306.97604	6.0
307.05142	78.0
318.97266	5.2
319.05127	25.2
331.04730	3.7
348.98303	4.5
367.10797	3.4
391.07843	4.5
409.00919	5.4
409.07950	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.10328	0.6
56.05035	1.0
58.06591	1.0
69.03415	0.6
69.07031	0.7
69.38790	2.5
69.39208	2.0
70.06605	5.3
72.02797	0.6
72.08163	3.0
81.07076	0.9
84.04495	1.8
84.08141	2.1
85.02912	0.9
86.09705	6.6
91.05485	0.9
97.02937	0.6
98.09699	0.7
98.21465	1.3
107.04952	1.0
110.07153	1.3
116.07047	0.8
119.04924	0.9
120.08137	3.0
127.03902	0.6
129.10248	1.6
135.04358	0.8
136.07602	1.5
142.06799	0.6
147.04417	0.9
160.07634	2.9
161.07928	3.2
162.02216	0.8
198.07878	1.0
199.08733	2.0
200.09482	1.0
200.13940	1.0
201.09106	1.6
203.05312	1.3
207.11322	0.7
210.07932	0.8
211.08698	4.7
212.09436	1.6
213.10281	3.1
215.11815	1.7
217.09660	2.1
223.12325	0.9
225.06610	1.1
225.10274	5.5
226.07372	1.1
227.08072	1.0
229.09706	2.2
231.11249	1.3
239.08191	6.7
239.11758	4.1
240.09032	3.4
241.09703	6.5
242.10431	0.9
243.07657	1.5
243.11331	6.4
247.09601	1.6
251.12146	0.7
253.09758	8.3
254.10468	1.0
257.09177	2.8
257.12958	1.2
259.10867	3.6
260.11523	0.7
262.11185	1.2
267.07602	2.0
267.11371	5.1
268.08432	6.0
269.08850	0.6
269.12717	0.8
271.10809	25.3
272.11432	0.9
273.12268	2.4
275.10284	2.7
277.11823	3.4
281.09229	1.6
285.09021	1.5
285.12311	4.7
289.11850	2.3
295.10815	5.4
295.43820	0.7
297.12314	1.0
299.10397	0.8
299.13983	1.0
300.11075	1.7
303.09656	1.0
313.11826	7.0
317.11273	1.7
318.12012	0.8
323.10303	8.3
325.06866	0.7
327.13437	1.9
331.13074	0.6
335.12308	3.0
341.11328	16.8
345.14481	1.7
349.14114	0.8
355.12936	3.9
359.12415	2.8
363.08694	1.5
373.13992	13.2
391.08316	2.0
391.15030	23.8
392.15231	1.0
409.16055	100.0
410.16345	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	409.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.7
53.03944	1.8
68.15128	0.4
69.07064	0.5
69.18407	1.7
69.18836	1.7
70.06609	0.5
79.05489	1.7
81.03415	0.6
81.07047	0.6
84.08128	0.3
85.02902	0.5
91.05492	0.4
93.07053	0.7
95.04961	1.6
95.08611	0.9
97.02883	0.6
98.20818	0.8
105.07024	0.7
107.04955	100.0
107.08578	0.8
108.05289	1.2
109.02869	0.8
109.10217	0.3
119.08590	0.5
121.10147	0.6
127.03899	0.6
131.08548	0.5
132.27158	0.4
135.11713	0.3
145.10117	0.5
147.11723	0.4
159.11606	0.3
174.84790	0.4
211.07626	0.6
212.04556	0.4
215.07147	0.4
227.07051	0.9
239.07204	0.6
241.08775	0.4
257.08102	0.8
266.52167	0.4
270.08780	2.4
272.10446	3.8
283.09708	0.7
284.10419	0.7
285.11066	0.6
286.08417	1.2
287.09259	0.5
301.10672	3.8
302.11536	0.8
303.12286	5.1
315.11972	0.4
378.14844	0.5
409.16989	0.6
409.34299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83640	1.2
55.05488	1.3
55.44939	1.1
56.05022	1.3
69.03413	1.6
70.06599	11.2
71.51189	1.7
72.08162	9.6
81.03434	1.7
84.04494	3.7
84.08159	7.6
85.02919	1.7
86.09715	12.9
87.05608	1.3
87.10033	2.5
91.05463	3.0
107.04974	2.5
109.02862	1.4
110.07156	3.0
119.04971	1.5
120.08105	11.3
123.04467	1.3
129.10223	3.6
136.07661	2.7
147.04451	1.5
148.07748	1.4
151.03946	1.9
159.11270	6.8
165.05501	1.7
166.08633	2.6
170.69522	1.3
179.03355	2.2
187.10843	2.0
192.10312	1.4
203.03568	1.4
211.08664	1.5
215.08041	1.9
218.82230	1.2
223.10773	3.7
234.16934	2.3
243.07642	4.3
251.10176	1.9
257.04385	1.3
260.83755	1.2
261.08545	1.3
273.08511	1.2
285.08804	6.1
289.08109	4.4
307.09210	2.3
313.08182	7.0
315.09714	2.4
325.07062	2.8
331.09250	8.9
333.10770	1.6
346.92590	1.2
349.10217	9.5
359.08606	2.7
363.08429	6.3
365.31595	1.2
367.11432	2.3
377.09958	3.5
391.07532	2.5
409.11371	12.3
409.18323	100.0
410.18753	2.1
433.51627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.05511	3.2
57.07076	3.1
67.05504	8.0
69.07066	3.3
70.01873	3.2
71.05007	8.4
79.05501	4.7
81.07056	12.0
83.08606	1.4
89.06044	1.8
90.56223	1.1
91.05492	6.9
93.07049	13.7
95.04981	2.3
95.08612	22.0
96.08879	1.2
97.06549	1.0
104.19922	0.9
105.07040	17.3
107.08603	8.8
109.06544	3.2
109.10139	6.0
111.08077	2.6
113.09638	1.1
117.07040	2.0
119.08588	8.9
121.10160	11.1
123.08083	9.5
123.11750	2.7
131.08568	5.8
133.10129	5.4
135.08054	8.4
135.11694	4.0
137.09631	2.0
137.13321	1.3
143.08569	1.9
145.10114	9.0
147.11714	5.7
149.09679	2.0
149.13293	1.9
151.07549	100.0
152.07884	1.2
156.09328	1.2
157.10161	2.8
157.17896	1.0
159.08012	1.2
159.11740	3.0
161.09651	2.0
161.13275	5.4
163.11206	1.1
163.14825	1.2
165.09123	2.4
171.11678	1.8
173.09676	3.1
173.13271	1.7
175.07480	2.5
175.11160	1.1
175.14925	1.6
176.08418	2.7
176.65167	1.3
177.09135	13.2
185.13339	1.4
187.11192	1.4
187.14885	2.9
188.08356	3.1
189.09122	15.2
189.16544	1.5
191.10686	33.7
191.17961	1.3
195.12312	2.3
196.12689	1.6
199.11147	1.5
199.14845	1.2
201.09134	2.5
201.16394	1.9
202.09888	3.5
203.10683	6.8
205.12288	4.1
215.10669	2.7
217.12367	6.0
227.10658	1.7
227.18022	1.2
229.12302	3.1
241.12132	1.3
255.13873	2.6
257.15424	3.0
259.17010	1.4
269.15323	1.9
283.16882	1.1
325.21777	2.0
351.30264	1.1
381.24295	1.2
391.26227	3.0
409.27365	26.3
409.35339	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55218	1.4
53.03935	6.5
55.01867	2.7
55.05512	20.1
57.07061	5.3
59.04985	2.7
65.03943	4.4
67.05508	22.2
69.03423	7.3
69.07069	9.5
71.04982	2.3
71.51862	2.9
79.05497	20.2
81.03419	3.6
81.06586	2.5
81.07056	33.9
83.04978	3.0
83.08603	4.5
85.06544	3.4
91.05478	31.2
93.06479	3.1
93.07046	41.8
95.04972	38.7
95.08609	33.8
97.06518	6.0
103.05458	3.4
103.90645	1.5
105.04488	2.1
105.07031	100.0
107.04974	2.2
107.08585	29.4
109.06528	9.6
109.10146	10.4
110.49179	1.6
111.08115	3.1
115.05432	2.8
117.07018	12.4
119.08584	66.0
121.06503	15.3
121.10152	20.4
123.08076	16.9
123.11691	3.0
125.09597	1.8
128.06168	3.7
129.06995	6.4
130.07770	4.9
131.08575	22.1
133.06444	3.9
133.10143	14.0
135.08043	13.0
135.11707	8.7
137.09605	6.2
141.07008	4.1
142.07776	10.0
143.08557	10.8
144.09303	2.8
145.06477	1.9
145.09065	2.7
145.10130	35.3
147.08054	14.2
147.11685	35.6
148.08791	1.7
149.09598	10.3
149.13229	2.6
151.07558	13.3
153.06956	1.8
153.09070	1.9
155.08540	6.4
156.09302	4.6
157.10132	18.1
158.10918	1.7
159.08025	4.6
159.11687	16.1
160.08861	1.7
161.09581	6.9
161.13271	7.2
163.11240	3.1
163.14786	2.1
165.09123	30.1
167.08650	2.0
168.09338	3.9
169.10129	6.3
170.10872	2.6
171.11703	6.9
173.09622	2.6
173.13197	5.5
175.11183	26.7
175.14876	2.3
177.09131	4.8
178.09941	1.7
181.10144	3.9
181.12126	1.8
183.11696	11.8
185.13263	5.9
187.11185	4.1
187.14803	4.6
189.12764	4.0
189.16388	3.8
191.18011	7.8
195.11685	3.1
197.13272	3.2
199.11241	3.0
199.14830	3.1
201.12686	7.1
201.16383	4.6
203.14319	13.1
203.17889	3.1
207.13719	8.9
209.13206	2.1
211.14845	6.7
213.12720	2.8
215.14362	2.4
216.15019	2.7
219.13739	3.9
221.13429	2.7
221.15356	51.7
223.14911	1.9
229.15826	3.7
231.13788	3.4
233.15445	2.7
234.16191	14.9
243.16898	1.6
259.14746	1.9
281.22629	1.5
286.19223	4.0
287.20004	5.3
299.20023	1.9
300.20764	5.3
329.21259	3.7
391.26395	4.8
409.27283	29.6
409.34344	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
54.40572	1.3
55.05518	20.8
57.03423	1.9
57.07081	6.4
59.04999	3.0
65.03941	2.3
67.05508	18.6
67.05851	2.4
69.03430	7.6
69.07075	8.3
69.51948	9.3
71.04977	1.6
77.91585	1.5
79.05499	19.4
81.03422	1.4
81.07061	31.3
83.04989	5.2
85.06546	3.5
87.66085	1.2
91.05489	35.4
93.06482	2.5
93.07050	38.5
95.04979	44.5
95.08611	26.1
97.06528	7.5
103.05458	3.3
105.07038	100.0
107.04961	1.8
107.08598	21.7
109.06515	7.0
109.10175	8.4
111.04421	2.2
111.08086	2.1
115.05412	1.8
116.06258	1.9
117.07018	11.8
119.08592	66.7
120.09438	1.5
121.06515	17.5
121.10145	12.9
123.08074	16.0
123.11695	3.0
125.06046	1.9
128.06232	4.8
128.15828	1.4
129.07033	7.4
130.07793	4.8
131.08574	23.2
132.09332	1.3
133.06516	4.1
133.10120	17.6
135.08061	13.6
135.11702	5.5
136.96466	1.3
137.09653	9.0
141.06978	4.2
142.07788	11.0
143.08580	14.9
144.09344	4.4
145.06415	1.5
145.10130	33.7
147.08046	16.6
147.11697	41.6
148.08722	2.2
149.09599	10.4
149.13220	2.0
150.10432	2.0
151.07547	21.5
153.09108	1.6
154.07782	1.8
155.08601	5.1
156.09325	4.8
157.10144	17.1
159.08078	4.2
159.11696	15.0
161.09613	8.5
161.13261	4.7
163.11201	5.7
164.11687	1.5
165.07007	2.1
165.09128	30.4
167.08549	2.1
168.09346	3.1
169.10088	9.0
170.10892	2.3
171.11789	7.4
171.13040	1.3
172.12074	1.5
173.09637	4.5
173.13246	6.5
175.11191	30.8
175.14743	1.8
177.09093	3.9
178.10005	2.1
181.10129	3.7
181.12268	3.1
183.11707	6.6
185.09685	1.3
185.13295	4.8
187.11179	3.8
187.14796	3.3
189.12727	6.0
191.14311	2.5
193.10179	1.7
194.10933	1.8
195.11661	3.9
196.12534	2.2
197.13243	3.3
199.11223	2.2
199.14735	1.8
201.12746	9.3
201.16371	3.7
203.14334	13.7
205.15919	4.3
207.13826	7.0
209.13417	2.5
209.15334	2.8
210.10472	1.5
211.14775	3.4
213.12825	3.3
215.10597	1.7
215.14302	1.9
216.15085	1.6
219.13809	5.9
221.13564	2.5
221.15387	58.0
225.16443	1.8
227.14346	1.6
229.15877	3.1
231.13812	3.8
233.15300	2.3
234.16173	16.8
245.61967	1.5
249.16417	2.2
253.15816	2.1
259.78586	1.4
265.25320	2.1
286.19171	1.8
287.20111	5.9
299.20319	2.7
300.20786	5.0
329.21268	4.7
335.20004	2.0
337.47424	1.5
391.26270	5.3
392.31766	1.9
409.27399	38.5
409.33704	2.7
414.37546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2742
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
50.09101	1.9
51.02365	2.3
53.03944	5.8
55.05518	18.2
57.07073	9.5
59.05000	2.1
65.03930	2.9
67.05512	30.6
69.03422	9.0
69.07074	14.2
70.86749	6.1
71.08655	2.3
77.03928	2.7
79.05129	2.3
79.05502	24.5
81.03423	2.7
81.07061	37.1
83.04996	6.3
83.08604	3.7
85.06535	3.9
89.06039	3.4
91.05485	41.8
93.06489	3.2
93.07053	55.1
95.04970	43.0
95.08061	3.2
95.08619	36.6
97.06528	11.0
103.05473	4.6
105.04504	2.7
105.07044	100.0
107.08607	28.2
109.06516	17.4
109.10165	24.8
110.10606	2.0
111.08087	3.2
115.05501	4.6
117.07028	14.2
119.08593	70.9
121.06524	22.6
121.10171	20.4
123.08076	20.7
123.11685	3.7
128.06233	7.7
129.06981	12.8
130.07799	6.9
131.08594	26.2
133.06500	4.6
133.10136	20.5
135.08070	16.0
137.05946	2.4
137.09625	10.9
141.06963	4.0
142.07848	13.3
143.08578	20.7
144.09360	3.3
145.06532	3.4
145.09050	3.7
145.10136	42.5
147.08073	20.7
147.11711	33.6
149.09645	12.5
151.07555	26.5
153.07048	2.7
153.09084	3.6
154.07764	3.3
155.08588	8.4
156.09349	7.2
157.10130	27.3
159.08080	9.6
159.11713	16.4
160.08826	2.9
161.09637	8.8
161.13277	7.3
163.11185	4.7
165.09146	31.0
167.08527	2.7
168.09378	4.9
169.10159	13.4
170.10910	2.9
171.07985	2.6
171.11679	12.3
173.09659	5.1
173.13263	8.4
175.11200	22.7
175.14842	2.2
177.09019	4.1
178.09840	2.5
181.10147	8.0
181.12228	2.4
182.10837	3.1
183.11725	16.0
185.13249	7.2
187.11209	4.4
187.14798	5.6
189.12743	10.3
191.10655	2.3
191.14343	3.5
194.10985	2.8
195.11818	4.6
197.13289	4.8
199.15038	2.3
201.12741	12.3
203.14359	15.2
207.11896	3.9
207.13858	8.5
209.13365	3.5
209.15317	2.7
211.14828	7.6
213.12813	3.4
215.14270	2.2
219.13792	3.0
221.15382	63.8
225.16411	3.4
229.12422	2.4
229.15912	5.4
231.13745	3.0
233.15405	7.3
234.16104	11.5
235.14786	3.1
239.14352	3.4
241.16054	2.4
248.51590	2.1
269.18921	2.3
271.16602	2.6
286.19403	2.7
287.20074	8.8
300.20828	3.0
329.20966	2.2
335.19620	2.0
391.26334	8.1
409.27365	60.1
409.33344	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	409.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81783	1.7
53.03958	4.7
55.01876	9.7
55.05517	20.1
57.03428	5.6
57.07084	16.3
67.05498	10.1
69.07073	39.2
69.95072	2.0
69.95369	9.1
71.08637	15.2
79.05469	4.7
81.03424	12.9
81.07055	21.6
83.08617	18.9
85.10183	7.0
91.05492	4.3
93.07036	6.8
95.04954	2.6
95.08604	25.2
97.10172	18.1
98.77042	1.9
105.07030	6.5
107.08588	8.3
109.02884	36.1
109.06482	2.4
109.10197	13.3
111.11710	6.2
115.03982	10.0
119.08594	5.3
121.10146	7.9
123.04494	3.1
123.11703	8.4
125.13271	6.8
127.03927	100.0
131.08572	1.9
133.10155	4.8
135.11703	4.8
137.13251	6.2
139.14832	2.3
141.05489	7.2
145.10092	3.6
147.11737	3.3
149.13231	3.9
151.07524	2.3
155.07059	3.9
159.11729	2.5
161.13261	2.3
163.14737	2.3
169.08702	4.8
183.10168	16.1
187.14838	2.8
195.10291	4.7
197.11732	9.5
201.88043	1.9
209.11749	5.7
211.13263	6.8
223.13193	3.4
225.14806	4.0
237.14874	4.3
239.16406	6.2
251.16512	3.8
253.17935	10.9
265.17902	5.2
267.19653	5.0
279.19464	3.4
281.21091	5.7
293.21173	2.8
295.22681	4.4
321.24316	2.9
391.32141	32.4
409.33585	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	409.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	5.0
55.05518	31.5
57.07078	32.0
64.35414	2.4
67.05500	31.7
69.07070	62.9
69.27312	27.2
71.08630	20.4
79.05484	17.2
81.07057	75.1
83.08620	40.8
85.10177	9.5
86.09711	33.5
89.06012	3.9
91.05479	15.6
92.19963	2.8
93.06497	3.7
93.07050	40.2
95.08614	100.0
97.06544	3.4
97.10165	17.8
99.04433	3.8
105.07051	24.8
105.09587	2.8
107.08597	40.0
109.06529	3.6
109.09470	5.3
109.10161	66.4
111.11709	14.1
117.07005	6.3
119.08592	27.8
121.10134	43.6
123.11721	31.4
125.02368	18.4
125.06010	4.2
125.13233	3.4
127.03907	16.9
131.08589	6.5
133.10132	20.7
135.08054	3.8
135.11700	31.0
137.13275	17.8
139.07535	4.0
143.08600	3.1
143.11737	3.2
145.10120	10.8
147.11699	22.2
149.09624	7.3
149.13271	32.5
151.07518	3.1
151.14862	4.5
157.10089	6.3
159.11703	17.0
161.13266	19.3
163.11140	4.8
163.14839	17.2
167.07024	2.9
169.08569	11.1
169.09927	3.5
171.11690	3.5
173.13242	11.4
175.14804	10.9
177.09106	13.0
177.16420	11.2
181.08664	2.7
185.13335	3.3
187.14821	9.0
189.16356	12.7
191.17953	29.2
195.10207	7.4
201.16457	6.1
203.17957	18.3
205.19521	11.9
215.17964	4.0
217.19528	12.7
219.21074	5.2
231.21103	7.6
243.21057	7.5
245.22635	4.1
253.18210	3.8
257.22675	11.2
268.76950	3.6
271.24271	5.7
278.39819	3.7
285.25815	5.0
299.27225	5.4
321.77594	3.0
327.30487	3.3
353.32162	4.9
355.29684	4.8
373.31058	14.0
391.31937	30.6
409.38474	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.05515	24.5
57.07064	8.1
67.05183	3.0
67.05508	40.7
69.07070	26.4
71.04999	28.3
77.03072	1.6
77.03951	2.1
79.05496	26.1
79.05928	3.1
81.07061	98.2
83.04980	2.0
83.08618	12.0
85.06539	4.1
85.10164	1.7
88.55080	1.9
91.05477	30.8
93.07045	90.2
95.04978	5.5
95.08611	100.0
95.64118	1.6
96.08953	2.4
97.06516	3.6
97.10172	9.3
99.08167	2.1
105.07034	58.4
106.07332	2.0
107.07876	3.8
107.08598	73.9
109.06499	5.3
109.10162	61.4
111.08097	13.5
111.11760	2.7
113.09640	5.7
116.82405	2.0
117.07003	8.2
119.08589	61.4
121.10151	60.6
123.08116	2.2
123.11724	29.5
129.06981	3.8
131.08574	20.9
133.10144	42.0
135.08041	2.3
135.11697	37.5
137.09651	4.1
137.13278	10.2
143.08565	8.8
145.10139	34.9
147.11696	36.5
149.13266	53.4
150.13504	2.3
151.11121	1.9
151.14832	2.8
155.08531	2.4
157.10147	12.5
158.10915	3.4
159.11700	47.7
161.13271	35.6
163.11250	2.1
163.14833	22.0
169.10086	4.3
171.11707	10.8
173.13283	24.8
175.14784	24.2
177.12810	3.5
177.16408	9.4
183.11731	4.7
185.13277	7.7
187.14801	16.6
189.16376	22.0
191.14473	2.0
191.17970	13.9
197.13271	4.2
199.14848	11.3
201.16377	16.1
203.17943	17.1
211.14827	2.6
213.16391	10.8
215.17958	15.1
217.19533	24.9
225.16397	2.2
227.17941	7.6
229.19554	7.9
231.20987	9.7
241.19518	5.6
243.21053	5.7
253.19482	3.0
255.21147	9.9
257.22632	8.5
259.24136	10.2
267.21060	5.1
269.22614	5.2
271.24185	2.8
281.22729	3.0
283.24225	4.2
285.22305	2.4
295.24152	2.9
297.25775	3.6
309.25809	2.1
313.25275	2.2
325.28961	5.1
326.29596	2.3
339.30429	3.4
351.30618	11.2
353.28220	2.4
365.31750	2.3
391.33600	16.6
409.34631	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	409.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67768	2.1
53.03944	2.9
54.61375	1.9
55.05516	20.5
57.07084	10.7
62.87624	2.0
67.05511	34.6
69.07075	65.1
69.09203	2.4
71.08627	5.3
71.22104	2.0
71.35975	3.5
79.05504	17.2
81.07059	96.5
83.08617	19.5
91.05492	12.4
93.07047	36.6
95.04971	2.9
95.08616	94.2
97.10198	10.2
101.16096	2.2
105.07038	29.6
107.08598	42.9
109.10165	68.0
111.11718	3.4
117.07034	3.0
117.51121	2.2
119.08586	32.2
121.10159	39.9
123.11713	29.7
125.13272	3.1
131.08597	10.0
133.10132	22.4
135.11699	29.7
137.13283	16.0
143.08655	3.2
145.10115	12.0
147.11693	22.5
149.13264	21.6
151.14848	5.3
157.10136	2.8
159.11717	19.2
161.13254	23.0
163.14848	13.3
173.13290	15.2
175.14832	16.3
177.16306	11.7
179.18115	2.1
185.13297	3.0
187.14799	11.6
189.16357	15.7
189.91647	2.5
191.17960	14.2
199.14934	3.2
201.16478	10.0
203.17946	13.3
205.19484	3.0
213.16411	4.8
215.17906	13.1
217.19463	10.4
227.17957	3.5
229.19495	19.9
231.21233	10.2
241.19502	3.1
242.28787	2.2
243.21210	6.3
245.22787	2.7
257.22757	9.7
259.24249	5.4
271.24301	9.3
285.25909	7.4
287.27695	2.5
299.27466	8.1
313.28903	3.3
325.29086	3.1
327.30466	5.5
353.32208	3.9
409.38440	100.0
410.38733	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	409.3832
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
50.78185	1.4
54.28825	1.3
55.05507	8.9
56.20647	1.7
57.07080	12.0
67.05502	19.4
69.07069	17.6
69.94694	7.1
71.08615	6.5
79.05483	8.0
81.07058	70.7
83.08626	5.8
85.10178	4.4
91.03577	1.6
91.05479	4.5
93.07040	17.6
95.08611	100.0
96.08923	1.7
97.10168	3.6
105.07034	13.0
107.08604	18.6
109.10161	35.6
111.11693	1.6
119.08578	11.9
121.10147	20.5
123.11701	22.3
124.12014	1.6
131.08537	2.1
133.10123	10.7
135.11700	18.8
137.13260	63.1
145.10147	6.6
147.11723	8.5
149.13255	16.3
151.07513	2.1
151.14818	4.9
159.11725	4.9
161.13232	7.6
163.14784	7.5
165.16406	1.4
168.86359	1.6
173.13274	5.1
175.14832	5.1
177.09206	2.3
177.16403	6.1
187.14745	2.8
189.16409	7.7
191.18024	2.4
193.19543	2.8
201.16425	3.0
203.18056	6.9
205.19539	2.8
215.17986	6.9
217.19519	5.5
219.21078	2.0
229.19537	6.7
231.21028	4.3
243.21054	3.5
245.22224	1.8
257.22614	5.4
259.24341	8.3
271.24188	6.3
285.25793	2.9
301.28757	1.7
334.59723	1.4
352.63733	1.4
409.33630	1.9
409.38351	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05514	22.4
57.07081	9.2
66.16145	1.8
67.05511	29.3
67.06305	1.7
69.07073	49.8
71.08641	2.8
71.42859	3.5
71.43222	2.1
79.05502	15.0
81.07062	68.1
83.08620	18.0
90.51577	1.8
91.05482	14.6
93.07050	31.9
95.08617	75.1
97.10165	9.4
105.07035	23.6
107.08604	42.7
109.10163	53.7
111.11737	4.8
119.08575	29.0
121.10147	32.2
123.11720	25.6
129.07021	2.2
131.08559	9.9
133.10144	24.8
135.11697	24.9
137.13263	13.7
141.43515	1.8
143.08595	3.5
145.10117	17.8
147.11705	18.9
149.13268	24.1
151.14821	5.4
157.10156	6.4
159.11703	18.4
161.13286	15.5
163.14838	14.1
171.11700	4.0
173.13292	12.6
175.14867	12.8
177.16370	11.6
185.13303	6.2
187.14876	11.5
189.16422	12.2
191.17996	7.5
199.14787	3.0
201.16383	11.0
203.17952	14.4
205.19566	2.9
213.16391	4.3
215.17978	9.5
217.19586	6.9
227.18011	3.9
229.19450	8.5
231.21098	5.0
233.22412	2.1
241.19629	2.3
243.21167	5.4
245.22772	3.3
257.22705	9.4
259.24261	6.1
269.22696	3.0
271.24203	5.1
283.24240	3.0
285.25787	7.0
297.25668	2.0
299.27332	4.9
325.28839	4.7
327.30573	6.1
339.30557	4.4
353.31937	4.7
367.33945	2.9
408.14767	2.0
409.38327	100.0
410.38577	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	409.3833
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
51.86433	1.9
53.48990	2.2
55.01871	3.0
55.05516	26.5
57.07085	16.3
67.05511	32.5
69.07071	43.4
70.82430	6.4
71.08631	5.4
79.05494	21.0
81.07061	79.4
83.08625	20.9
85.10186	2.4
91.05500	14.4
93.07053	52.5
95.08612	100.0
97.10175	15.3
105.07042	30.5
107.08597	55.2
109.10162	70.4
110.10455	3.0
111.11723	8.1
117.07056	3.6
119.08585	29.5
121.10155	54.1
123.11719	30.4
124.59509	1.9
125.02350	5.9
125.13301	3.3
127.03923	2.3
131.08604	6.7
133.10130	26.1
135.11693	36.8
137.13278	24.5
139.07564	2.4
145.10165	10.3
147.11717	22.9
149.13272	39.4
151.14809	4.3
152.06018	2.1
159.11699	11.5
161.13287	18.4
163.14824	21.1
165.16356	2.0
171.11719	3.2
173.13318	9.6
175.14790	12.9
177.16400	10.1
185.13181	5.1
187.14861	10.0
189.16422	15.8
191.17955	28.3
197.25375	2.0
201.16422	4.9
203.17990	19.3
205.00475	2.3
205.19551	14.2
213.16692	2.3
215.17929	5.0
217.19518	23.5
219.21187	5.8
229.19511	3.4
231.21140	4.7
235.54469	2.2
243.21146	7.4
245.22691	2.6
257.22693	12.9
258.88870	2.3
259.24149	2.9
271.24231	12.2
285.25821	4.2
299.27325	3.4
327.30518	2.7
373.31110	2.3
375.62421	2.2
391.31961	3.7
409.38336	84.7
410.38599	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05520	11.8
57.07088	8.0
61.86038	1.4
62.61226	1.6
67.05504	26.9
69.07068	20.2
70.75694	4.4
79.05496	10.1
80.25923	1.7
81.07056	66.4
83.08633	10.2
91.05492	8.1
93.07050	22.4
95.08609	100.0
97.10168	8.9
105.07029	19.6
107.08590	32.2
109.10160	53.3
109.49077	1.5
111.11735	2.9
119.08572	24.9
121.10145	31.5
123.11713	30.6
125.13311	2.0
131.08594	3.5
133.10126	15.5
135.11691	22.1
137.13258	38.7
144.06120	1.7
145.10104	3.6
147.11679	17.4
149.13263	19.9
151.14809	2.6
159.11667	4.6
161.13260	14.7
163.14854	12.4
173.13216	3.8
175.14853	7.7
177.16347	7.1
179.17949	3.1
187.14922	2.6
189.16415	19.9
191.17969	11.7
193.19434	1.8
201.16443	2.8
203.17976	13.3
205.19539	13.4
215.18028	4.0
217.19485	10.7
219.21037	3.3
229.19536	12.4
231.21091	10.7
243.21014	3.5
245.22594	2.2
257.22650	6.1
271.24188	2.9
285.25690	3.2
342.79138	1.8
343.10956	1.8
409.33649	3.0
409.38412	42.1
410.38586	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	17.0
57.07076	8.2
61.37181	2.1
67.05508	28.6
69.06733	3.3
69.07076	50.0
69.18571	2.0
71.18342	4.5
74.01916	2.2
79.05503	17.1
81.07062	98.9
83.08626	18.2
85.88185	1.8
91.05486	13.0
93.07054	35.0
95.04965	2.0
95.08614	100.0
97.10173	11.2
105.07032	22.1
107.08607	42.2
109.10164	64.6
111.11720	6.5
117.06995	4.3
117.47843	2.0
119.08596	22.4
121.10158	35.7
123.11720	38.3
129.07022	2.2
131.08606	9.4
133.10141	22.8
135.11696	32.7
137.13264	26.1
145.10201	13.4
147.11703	18.9
149.13268	25.9
151.14819	4.7
157.10089	2.9
159.11700	11.9
161.13275	18.7
163.14842	18.6
165.16451	2.4
171.11707	2.9
173.13289	9.1
175.14813	14.3
177.16447	9.4
179.17941	2.7
185.13310	3.5
187.14871	9.0
189.16403	14.0
191.17966	19.0
195.12038	2.2
199.14845	3.8
201.16475	7.0
203.17957	10.9
205.19586	5.2
213.16325	2.4
215.17867	10.1
217.19576	15.8
227.18022	2.2
229.19502	9.5
231.21111	10.8
243.21075	4.6
245.22804	3.6
255.21014	3.4
257.22723	12.7
259.24258	6.9
271.24240	8.6
285.25833	7.7
299.27310	2.6
313.28897	2.5
325.28918	2.9
409.38330	67.8
410.38739	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05638	1.4
55.05506	3.9
57.07079	35.0
60.04533	2.0
63.44923	1.6
67.05508	2.6
69.07076	2.5
70.35040	5.5
71.08636	25.6
73.06549	2.6
79.05486	3.4
79.48238	1.7
81.07038	5.9
82.52134	1.7
83.04959	2.8
85.10181	20.1
87.04480	2.2
89.06033	100.0
91.05472	4.5
92.36138	1.7
93.07031	4.7
93.14484	1.6
95.04981	3.2
95.08596	5.5
97.10152	4.3
99.11725	2.6
105.07058	10.4
106.07379	2.2
107.07066	3.2
107.08578	2.1
109.10139	1.9
113.13336	1.9
117.09142	2.2
118.44519	1.7
119.08581	6.9
121.06392	1.5
122.10506	2.2
123.08082	2.8
131.08536	2.8
133.08614	54.2
133.10097	3.2
136.08472	1.8
145.10135	1.9
146.10428	2.2
147.08099	1.8
147.11688	3.2
151.07553	3.3
151.09680	4.8
155.17950	3.9
159.11707	2.0
175.11169	2.1
177.11238	15.4
184.12161	2.2
195.12173	2.9
199.20546	3.2
221.15411	4.3
222.15727	4.4
239.14925	27.0
243.23198	4.5
243.71606	2.0
263.73770	2.1
274.91687	1.6
287.25812	3.1
339.19913	1.8
349.29419	2.4
393.32175	22.1
410.27917	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	411.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41712	2.0
53.39415	2.0
60.63551	2.0
61.02929	3.7
69.03434	33.5
70.45708	7.7
70.46072	1.9
81.03426	14.0
85.02913	74.9
85.40844	1.8
88.66611	2.0
91.05489	100.0
97.02898	7.9
97.97382	2.0
99.04453	7.8
108.70527	2.1
109.02876	19.3
115.05457	6.5
117.07014	24.4
127.03927	71.5
145.04942	4.2
145.06500	45.3
155.06076	4.6
161.06018	9.0
169.05029	4.3
171.04405	12.2
179.07063	23.0
187.06035	21.8
189.05492	29.4
205.07030	4.2
207.06493	6.0
221.48599	1.9
273.49588	2.3
380.97079	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
60.01267	1.4
61.02919	2.8
69.03432	31.5
70.75989	1.9
70.76336	3.2
71.04980	3.3
79.15874	1.3
81.03424	18.1
81.07036	2.2
85.02370	1.7
85.02908	72.0
91.05483	100.0
92.05809	1.9
95.08615	2.8
97.02908	10.6
98.21442	1.5
99.04425	7.5
103.05465	1.8
105.07043	2.2
107.04939	1.8
107.08586	2.1
109.02882	18.9
115.05453	5.6
117.07030	19.6
119.04900	2.1
119.08567	2.2
121.10101	2.3
127.03922	69.2
133.06512	2.8
133.10173	2.4
137.06032	1.5
143.04933	4.4
145.04987	6.3
145.06487	29.7
155.06012	6.0
161.05981	19.6
169.04921	2.8
171.04401	14.1
179.07030	24.4
187.06010	22.7
189.05475	26.3
189.07080	2.5
189.16379	1.6
191.17972	3.2
205.07094	4.9
207.06512	3.9
305.10278	1.6
410.97861	2.4
411.36539	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.3
61.02929	5.0
65.88683	1.1
69.03436	34.5
71.04990	2.7
71.35683	2.7
81.03427	13.8
82.95699	1.3
85.02914	77.3
91.05490	100.0
92.05798	1.5
97.02904	10.2
99.04462	7.8
103.05464	3.0
106.30246	1.3
109.02886	22.6
111.80320	1.2
115.05485	6.4
117.07025	23.9
119.05012	2.2
127.03931	64.4
133.06525	1.5
143.04948	6.3
145.04939	6.0
145.06494	34.9
155.06036	4.9
161.05978	14.6
169.04947	2.9
171.04439	15.9
179.07054	30.7
186.97379	1.1
187.06017	23.3
189.05472	30.9
205.07082	6.1
207.06570	5.9
221.08125	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06900	1.4
53.03952	7.6
53.93607	1.6
55.01874	2.8
57.07067	1.6
57.84170	1.3
63.37704	1.2
67.01869	2.4
69.03090	1.7
69.03439	23.1
69.34517	12.6
71.04988	6.4
81.03426	44.7
83.01357	1.8
85.02914	28.6
91.05494	100.0
95.08600	2.4
97.02905	16.5
99.04461	17.3
100.94125	1.4
105.07042	2.2
109.02888	31.5
109.97150	1.5
115.05507	7.7
117.07040	7.3
127.03934	90.4
128.04259	2.3
132.30963	1.4
133.06494	5.1
143.04935	4.5
145.04910	8.2
145.06485	5.7
161.06001	50.6
169.04962	7.5
171.04446	19.9
179.07059	10.2
187.06047	27.1
189.05463	2.7
199.07582	2.0
205.07094	4.6
207.06544	1.8
305.10291	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.6
55.41897	2.7
62.81002	2.8
69.03436	22.0
69.71433	16.9
71.04996	5.1
81.03422	38.2
85.02905	31.8
91.05487	100.0
97.02905	17.0
99.04476	15.2
109.02882	30.9
115.05435	9.2
117.07025	7.9
127.03921	89.1
128.04250	2.9
133.06454	4.1
145.04927	9.0
145.06522	6.9
161.05981	55.5
169.04988	7.1
171.04413	14.6
179.07010	8.6
187.06020	26.8
189.05516	4.3
205.07082	6.2
305.09943	3.7
396.62753	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	411.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.05525	1.0
57.03423	1.4
62.91211	0.8
65.03957	0.8
67.01861	1.2
67.05490	1.4
69.03086	1.7
69.03436	19.7
69.07072	1.1
71.04993	4.3
71.50938	1.6
79.05502	1.9
81.03426	28.6
81.07072	3.4
84.90374	0.9
85.02908	22.4
91.05489	100.0
92.05781	1.4
93.07040	1.8
94.19692	1.0
94.48221	0.9
95.08619	2.9
97.02905	13.6
99.04464	10.3
105.07035	3.9
106.79423	0.8
107.08601	1.5
109.02887	22.9
109.10185	1.2
109.97910	0.8
111.08105	1.0
112.80684	0.9
115.05444	5.9
116.72269	0.8
117.07020	5.0
119.08628	1.6
121.10172	1.0
123.11674	0.9
127.03928	64.5
133.06509	3.4
133.10127	1.2
135.11665	1.1
137.05968	1.5
143.04921	6.6
145.04967	3.6
145.06503	4.0
145.10136	1.5
147.11676	1.3
148.52222	0.9
149.13173	0.9
157.90395	1.1
159.11748	1.0
161.06000	32.8
163.03867	1.2
169.04956	4.3
171.04427	27.3
175.14882	1.1
175.27271	0.9
179.07021	11.7
187.06033	17.5
189.05522	2.6
194.77522	1.0
203.17931	0.9
205.07120	3.0
221.08174	3.8
231.06505	2.1
249.07637	2.3
305.10364	1.3
313.55515	0.8
353.41177	0.8
393.11932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01871	1.6
55.05513	2.3
57.03434	1.9
58.03292	1.2
61.02927	4.0
67.05495	2.0
69.03082	2.2
69.03438	29.5
70.06599	2.3
71.04982	1.8
71.14417	3.2
79.05499	2.5
80.23407	1.2
81.03430	17.0
81.07043	4.7
84.04498	1.3
84.08170	1.6
85.02914	68.2
91.05488	100.0
93.07053	4.7
95.04954	1.9
95.08617	5.4
97.02900	8.7
99.04478	6.3
100.11253	4.4
103.05473	2.3
105.07037	4.7
107.04964	2.6
107.08585	3.0
109.02892	22.2
109.10168	2.5
115.05473	6.2
117.06243	2.0
117.07030	23.8
119.04948	2.6
119.08581	3.4
120.08149	1.3
121.10118	2.3
123.11703	1.4
127.02982	3.3
127.03928	66.9
133.06503	3.3
133.10094	2.3
135.11699	1.4
143.04921	4.0
145.05005	5.5
145.06499	37.8
145.10152	1.6
147.11664	1.5
155.06064	4.5
157.10008	1.9
159.11763	1.2
161.06018	15.8
163.03870	1.9
169.05009	2.3
171.04457	11.4
179.07048	25.8
187.06035	16.4
189.05482	24.1
205.07062	5.1
207.06549	5.5
249.83748	1.4
411.25363	3.2
411.36304	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1994
Annotation	(+)-Picriside B
Peak:m/z	Relative Intensity
54.75976	0.4
56.05022	0.4
57.03450	0.5
69.07035	0.5
70.06609	3.2
70.34136	0.9
70.34530	0.9
72.08144	0.8
78.96631	0.4
81.03411	0.4
81.16762	0.4
84.04505	0.9
84.08147	1.1
85.02913	0.8
86.09705	1.1
91.05482	0.8
93.07029	0.6
97.02902	0.4
107.04985	0.5
109.06442	0.4
110.07190	0.7
110.82991	0.4
120.08128	0.4
127.03973	0.6
147.09184	1.3
149.38657	0.4
177.05428	0.7
191.08212	1.1
192.04054	0.5
203.05330	2.1
231.13741	1.9
249.14857	0.7
252.06300	0.5
268.26743	0.4
281.14856	0.5
304.31012	0.5
325.13910	1.2
347.13608	0.7
411.19901	100.0
412.20337	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1997
Annotation	1-Acetyltagitinin A
Peak:m/z	Relative Intensity
52.05212	0.4
55.05511	0.9
67.05505	0.6
69.03436	2.2
69.07053	0.7
69.87708	2.3
70.06252	0.7
70.06594	5.2
72.08150	1.1
81.03432	1.4
81.07051	0.9
81.51620	0.4
84.04523	0.5
84.08150	2.1
84.69424	0.4
85.02923	2.7
86.09699	1.8
87.39356	0.4
91.05501	2.7
93.07044	0.7
95.04993	0.5
95.08607	0.5
97.02870	0.9
97.06519	0.7
98.97563	0.7
99.04477	0.4
105.07056	0.9
107.04968	0.7
107.08615	0.6
109.02890	1.2
109.06555	0.5
110.07160	0.7
117.07047	1.3
119.04974	0.5
120.08128	0.9
124.07658	0.6
127.03948	2.0
129.10271	1.2
131.08569	0.5
133.10167	0.6
135.07971	0.5
136.07594	0.8
137.05870	0.6
138.13458	0.5
142.17815	0.4
145.06503	0.9
157.06567	0.5
161.05998	0.6
166.08548	0.5
177.05545	0.6
180.72049	0.5
187.05911	0.5
189.05507	0.6
277.84497	0.4
291.17218	2.0
411.19949	100.0
412.20114	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	411.2897
Annotation	Flabellinone
Peak:m/z	Relative Intensity
55.05504	3.5
63.84262	1.3
65.03936	1.9
65.39053	1.4
67.05505	10.5
68.91602	1.4
69.03412	2.0
69.07064	4.2
71.05013	2.1
74.14188	1.3
79.05486	4.3
81.07077	9.6
83.01321	2.0
83.04951	1.8
83.08628	1.5
83.56577	1.7
85.06551	2.0
89.06023	4.2
90.02951	1.5
91.05489	5.2
92.73588	1.6
93.07044	12.0
95.04958	3.0
95.08609	19.7
105.07046	13.9
107.08613	8.2
109.06554	2.7
109.10149	4.9
111.04424	4.2
111.08060	3.7
119.08606	9.5
121.06508	1.7
121.10131	6.9
123.08063	13.1
123.11739	2.6
131.08578	4.1
133.08597	1.7
133.10121	4.6
135.08072	10.3
135.11681	4.7
145.10138	5.5
146.10446	2.3
147.11710	6.2
149.09633	2.6
149.13171	1.8
151.07549	100.0
152.07890	2.9
157.10127	3.3
159.08031	2.4
159.11714	6.5
161.13295	3.3
162.86963	1.5
163.11180	5.9
163.14784	2.4
165.09074	2.8
173.09615	4.8
173.13286	2.0
175.11211	2.1
175.14880	2.5
176.08337	5.6
177.09160	15.9
187.11124	2.1
187.14888	3.0
188.08321	4.2
189.09113	5.3
189.16389	3.3
190.09804	2.5
191.10681	79.1
200.58171	1.4
201.09000	2.0
201.16388	1.9
203.10609	7.6
205.12248	25.4
205.15874	3.6
215.17847	1.8
217.12189	4.1
219.13878	1.7
226.19250	1.6
229.12265	2.3
231.13826	2.3
240.15369	1.7
245.15469	1.7
257.15332	1.9
358.11502	1.5
393.27823	4.0
411.28979	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	411.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.05511	8.2
57.07076	5.5
65.03922	0.9
66.53053	0.7
67.05505	8.1
69.07072	44.9
69.18324	7.9
71.04984	1.3
71.08603	1.6
79.05489	5.6
81.07059	22.2
83.08615	13.4
85.06514	2.7
85.10178	0.8
91.05482	5.3
93.07044	9.0
95.08613	25.1
97.10129	3.2
99.33717	0.7
105.07040	8.5
107.08607	12.7
109.09475	1.0
109.10158	13.4
111.11664	1.3
117.07019	5.7
119.08584	7.3
121.10146	9.6
123.11691	8.5
125.13204	3.5
129.06927	1.3
130.07707	2.4
131.08511	2.4
133.06451	1.4
133.10127	4.2
135.08014	2.1
135.11703	8.0
137.13275	10.5
143.08476	2.5
145.06425	2.9
145.09082	1.5
145.10123	18.9
147.08046	6.9
147.11711	4.3
149.09555	3.2
149.13251	7.2
151.14737	1.2
155.08481	3.4
157.10056	2.2
158.07277	9.3
159.08011	1.3
159.11647	3.3
160.08783	2.3
161.09500	3.2
161.13171	3.0
163.11143	0.8
163.14749	3.5
169.87999	0.8
171.08046	1.6
171.11633	1.8
172.08853	0.9
173.09631	100.0
173.13184	2.7
174.09911	1.5
175.11197	22.0
175.14734	2.9
176.08400	1.0
177.16284	1.4
185.13222	0.8
187.11237	4.7
187.14810	2.0
189.09059	2.7
189.12683	2.7
189.16322	1.6
191.10677	84.8
191.14224	2.9
191.17856	4.3
192.10924	1.2
199.11096	2.6
199.14722	1.2
201.12686	2.9
201.16306	2.4
203.17857	0.9
205.12117	1.1
205.15782	1.7
205.19574	5.3
213.12740	7.5
213.16299	1.2
214.13466	1.1
215.14325	10.1
215.17737	1.4
217.19417	1.2
219.20996	1.8
225.12560	1.2
227.14223	2.4
231.13686	2.6
239.14017	0.9
241.15739	1.2
258.95630	1.0
267.17291	3.6
267.39838	0.8
269.18933	2.1
269.22736	0.8
323.23523	3.2
323.27042	1.0
393.31412	33.2
393.35553	1.6
394.31784	1.2
411.32166	40.3
411.36047	4.6
412.32681	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05524	12.1
57.07071	9.4
67.05510	26.2
69.07066	25.9
69.13637	1.9
69.45689	13.9
71.04987	2.0
71.08614	2.9
79.05494	15.9
81.06592	4.2
81.07060	76.7
83.08617	12.6
85.06538	15.9
91.05477	6.8
93.07049	34.6
95.08614	100.0
97.10160	5.8
105.07032	19.0
107.08601	43.9
109.10168	43.6
111.11721	4.4
117.06985	3.4
119.08596	19.9
121.09338	2.9
121.10159	34.5
123.11719	27.9
131.08539	5.7
133.10144	12.6
135.10727	2.3
135.11714	29.2
137.09686	2.8
137.12224	2.8
137.13261	46.4
145.10080	8.2
147.11693	13.4
149.13278	34.4
151.14796	2.9
157.10188	2.2
159.11708	8.4
161.13245	7.5
163.14847	16.0
173.09639	8.8
173.13271	6.9
175.14842	10.2
177.12831	3.0
177.16347	5.0
179.17981	2.0
185.13252	2.5
187.14799	5.6
189.16373	5.3
191.10634	4.3
191.14281	9.3
191.17938	14.8
193.15846	3.5
199.14909	3.0
201.16389	10.4
203.17926	5.2
205.15912	5.6
205.19467	20.9
215.18034	2.8
217.19589	4.7
219.17485	3.8
219.21147	12.8
227.17940	2.0
233.19302	2.0
243.21072	5.0
255.21075	2.9
259.20639	2.2
302.69418	2.1
374.38638	2.1
393.35339	10.9
409.63235	2.0
411.32227	5.0
411.36435	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	413.0484
Annotation	OREGON GREEN 488 CARBOXYLATE
Peak:m/z	Relative Intensity
60.78612	4.9
70.55567	16.7
98.72423	4.8
103.08171	5.7
148.36514	4.9
150.66295	5.9
153.80745	5.8
369.05777	15.2
413.04477	100.0
413.14261	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0485
Annotation	OREGON GREEN 488 CARBOXYLATE
Peak:m/z	Relative Intensity
52.95777	3.0
55.71935	3.0
56.05049	3.8
56.15425	2.7
56.96553	5.5
60.04514	3.0
61.72488	2.9
69.01269	3.1
69.26122	28.8
70.06610	16.2
72.08165	7.0
73.78824	3.1
74.06055	3.4
76.61752	3.3
84.08150	16.4
85.02909	4.2
86.09698	11.0
91.05474	7.8
98.97585	12.9
107.04935	10.9
116.98589	4.7
119.04947	7.3
120.06561	5.3
121.02882	4.3
129.10237	8.8
136.06190	46.8
136.07568	12.7
147.04372	8.0
160.07578	3.4
161.05919	4.2
162.04097	30.7
164.98662	13.3
177.05460	3.5
182.99654	37.0
200.96857	3.7
201.00728	45.8
219.01793	10.3
222.12459	3.5
223.10803	17.9
255.06555	11.4
281.10016	21.8
290.57660	3.1
309.02652	5.5
327.03967	19.5
345.04996	7.3
351.03940	6.4
369.06015	14.4
413.04779	100.0
413.14020	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	413.0846
Annotation	Arteminorin B
Peak:m/z	Relative Intensity
50.96494	5.5
56.54965	5.6
60.93290	6.1
69.58263	29.0
85.02830	7.4
132.95834	6.2
158.77620	5.7
381.52142	6.0
385.26505	5.1
395.92130	5.5
413.03793	8.1
413.08444	100.0
413.14166	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.142
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05025	0.7
70.06600	3.4
71.47264	0.6
72.08159	1.7
72.41948	0.5
74.06087	2.6
80.68040	0.4
81.03408	0.5
84.04510	1.0
84.08147	2.5
84.50779	0.4
85.02911	0.7
86.09744	1.1
97.02889	0.5
102.05552	1.8
107.04955	0.5
119.03545	3.2
119.04896	0.7
120.06593	9.3
129.10226	0.9
136.06197	100.0
137.04607	1.7
137.36404	0.4
147.04381	1.1
162.04124	61.0
173.98404	0.4
196.61691	0.4
213.12389	0.7
252.08472	0.4
254.12706	0.4
255.06499	0.6
265.86719	0.4
268.10419	1.0
281.09949	49.7
295.06198	0.4
413.09097	0.5
413.14240	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
69.07067	0.6
69.93344	2.3
70.06599	5.1
71.06909	0.5
72.08138	1.4
72.08514	0.4
81.07040	0.5
84.08144	1.8
86.09731	3.5
90.18484	0.5
91.05464	0.4
93.61500	0.5
94.50043	0.4
96.27242	0.4
97.02903	0.5
98.20775	0.4
99.15342	0.4
110.07152	0.6
113.45187	0.4
120.08083	0.6
121.42750	0.4
129.10257	1.1
143.11797	0.6
147.04463	1.1
158.99736	0.4
179.03336	0.4
203.05353	0.6
215.14006	0.5
251.05447	0.4
284.19568	0.4
395.20328	0.8
413.21472	100.0
414.21902	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	413.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07067	0.6
69.93344	2.3
70.06599	5.1
71.06909	0.5
72.08138	1.4
72.08514	0.4
81.07040	0.5
84.08144	1.8
86.09731	3.5
90.18484	0.5
91.05464	0.4
93.61500	0.5
94.50043	0.4
96.27242	0.4
97.02903	0.5
98.20775	0.4
99.15342	0.4
110.07152	0.6
113.45187	0.4
120.08083	0.6
121.42750	0.4
129.10257	1.1
143.11797	0.6
147.04463	1.1
158.99736	0.4
179.03336	0.4
203.05353	0.6
215.14006	0.5
251.05447	0.4
284.19568	0.4
395.20328	0.8
413.21472	100.0
414.21902	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	413.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.9
55.05511	8.0
61.02919	4.3
67.05497	10.9
69.03447	28.7
69.07066	9.3
70.06590	14.1
71.04990	6.7
79.05483	14.2
80.86806	3.8
81.03400	25.2
81.07069	26.9
83.04969	9.9
84.08147	8.2
85.02894	19.6
87.36252	3.8
91.05476	18.3
93.07038	16.9
93.17048	5.0
95.04977	6.7
95.08594	18.3
96.66092	4.1
97.02924	6.9
97.06564	5.2
98.20686	5.3
99.04445	9.0
103.05449	4.2
105.07056	21.6
107.04939	8.7
107.08599	35.9
109.02902	23.5
109.06520	15.0
109.10150	13.9
111.04427	8.6
115.05467	4.1
117.07018	6.0
119.08575	17.4
121.06474	6.7
121.10154	28.9
122.06017	4.8
123.08067	5.2
123.11755	5.1
124.07598	4.0
125.06030	6.0
125.09688	5.2
127.03896	15.1
131.08569	9.3
133.10147	100.0
135.08057	9.5
135.11714	10.0
136.07510	4.2
137.05994	16.7
137.09622	54.9
145.05069	6.1
145.10120	12.8
147.11713	6.1
149.09630	6.6
149.13268	18.2
151.07498	5.3
151.11179	31.0
159.07890	5.5
159.11691	5.9
161.05975	4.7
161.13278	6.5
163.11154	5.0
165.12758	19.9
173.13232	6.9
175.07596	9.0
187.07564	4.3
187.11122	5.6
191.10698	4.3
191.14313	40.9
199.07573	8.0
201.09219	4.4
201.88588	3.9
209.15378	58.5
251.12752	5.7
278.09537	4.0
307.09891	5.2
339.12234	22.6
353.13834	5.1
356.35379	4.2
413.16171	4.5
413.21808	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	413.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.05505	3.9
57.03436	4.7
67.05482	6.8
69.03452	12.0
69.07067	5.2
69.62357	15.3
70.06592	4.8
71.04996	5.3
79.05485	10.5
81.03419	8.4
81.07049	15.0
81.07822	2.3
83.04959	5.1
85.02888	7.0
85.06553	2.8
91.05460	8.7
93.07040	9.7
95.04937	4.6
95.08591	8.2
97.02887	3.7
105.07017	9.9
107.04939	7.7
107.08611	20.6
107.86700	2.3
109.02863	2.8
109.06502	6.3
109.10149	6.3
111.04433	3.4
115.05488	2.2
117.07031	3.0
119.08549	3.2
121.06477	2.5
121.10145	12.1
122.07310	5.5
127.03904	4.6
129.10075	2.7
133.10141	100.0
135.08035	10.4
137.05948	7.9
137.09630	58.5
143.08591	3.0
146.56987	2.2
147.11697	4.1
149.13277	7.8
153.05516	3.1
159.11798	3.1
161.06004	3.5
163.14754	2.7
173.13287	7.2
179.08206	2.7
184.26924	2.6
187.07503	3.9
191.10689	2.3
191.14308	36.1
199.07562	2.5
209.15364	4.6
339.12201	17.2
340.12912	3.1
365.13794	3.0
413.21576	7.2
413.26675	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	413.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.9
55.05511	8.0
61.02919	4.3
67.05497	10.9
69.03447	28.7
69.07066	9.3
70.06590	14.1
71.04990	6.7
79.05483	14.2
80.86806	3.8
81.03400	25.2
81.07069	26.9
83.04969	9.9
84.08147	8.2
85.02894	19.6
87.36252	3.8
91.05476	18.3
93.07038	16.9
93.17048	5.0
95.04977	6.7
95.08594	18.3
96.66092	4.1
97.02924	6.9
97.06564	5.2
98.20686	5.3
99.04445	9.0
103.05449	4.2
105.07056	21.6
107.04939	8.7
107.08599	35.9
109.02902	23.5
109.06520	15.0
109.10150	13.9
111.04427	8.6
115.05467	4.1
117.07018	6.0
119.08575	17.4
121.06474	6.7
121.10154	28.9
122.06017	4.8
123.08067	5.2
123.11755	5.1
124.07598	4.0
125.06030	6.0
125.09688	5.2
127.03896	15.1
131.08569	9.3
133.10147	100.0
135.08057	9.5
135.11714	10.0
136.07510	4.2
137.05994	16.7
137.09622	54.9
145.05069	6.1
145.10120	12.8
147.11713	6.1
149.09630	6.6
149.13268	18.2
151.07498	5.3
151.11179	31.0
159.07890	5.5
159.11691	5.9
161.05975	4.7
161.13278	6.5
163.11154	5.0
165.12758	19.9
173.13232	6.9
175.07596	9.0
187.07564	4.3
187.11122	5.6
191.10698	4.3
191.14313	40.9
199.07573	8.0
201.09219	4.4
201.88588	3.9
209.15378	58.5
251.12752	5.7
278.09537	4.0
307.09891	5.2
339.12234	22.6
353.13834	5.1
356.35379	4.2
413.16171	4.5
413.21808	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	413.2688
Annotation	Robustol
Peak:m/z	Relative Intensity
52.25919	0.7
53.03947	2.3
55.01879	1.6
55.05517	5.6
57.07074	1.2
59.05003	0.8
62.05181	0.6
65.03941	1.6
66.67383	0.7
67.05512	10.2
69.03432	2.2
69.07073	6.2
69.36546	1.5
69.36953	4.8
70.06600	1.9
71.04993	1.8
79.05499	27.1
81.03421	1.2
81.07063	100.0
83.04982	1.8
83.08636	4.1
85.06533	3.6
86.86048	0.8
91.05492	17.6
93.07052	13.9
95.04996	1.8
95.08614	12.6
95.09178	1.0
97.06556	2.3
97.10182	0.9
99.04464	6.6
103.05502	1.3
105.07041	17.8
107.04951	1.2
107.08603	23.0
109.06528	38.6
109.10162	7.7
111.08092	1.5
115.05417	1.1
115.08737	1.2
117.07023	4.7
119.08596	29.3
121.06530	2.6
121.10158	9.3
123.08107	3.3
123.11731	3.8
125.09640	1.1
128.06264	1.6
129.07021	3.8
131.08578	11.9
133.06546	1.1
133.10143	21.7
135.08066	17.4
135.11699	4.8
137.09644	2.3
139.11150	1.1
142.07762	1.7
143.08580	7.4
144.02440	0.7
144.09409	1.4
145.06528	0.8
145.10138	12.1
147.08022	3.8
147.11700	10.2
149.09628	21.3
149.13284	1.8
151.07481	1.3
151.11241	1.9
155.08565	2.5
155.10634	1.2
156.09320	1.3
157.10118	8.8
157.11124	0.7
158.10902	1.3
159.08061	1.3
159.11710	12.5
161.09648	16.7
161.13313	6.9
163.11243	2.9
165.09145	0.9
167.08609	1.3
168.09419	1.0
169.10178	4.6
170.10863	1.1
171.11696	6.4
173.09697	3.2
173.13274	3.5
175.09753	1.0
175.11197	7.4
175.14793	2.1
177.09163	2.0
177.12813	1.5
179.10683	4.6
181.10075	1.6
183.11702	5.2
185.09723	0.9
185.13274	8.8
187.11203	2.4
187.14828	3.8
189.09142	0.8
189.12808	2.4
189.16444	0.9
191.10745	2.8
191.14357	0.9
193.10513	1.1
193.12270	7.5
195.11699	3.3
196.12563	1.2
197.13284	3.0
199.11186	1.8
199.14888	2.7
201.12810	3.6
201.16435	2.1
203.14381	3.9
203.17998	2.0
205.12312	2.2
207.11813	1.6
207.13637	1.4
209.13298	2.2
211.14832	2.1
212.15675	1.1
213.12714	1.5
215.14352	4.6
217.12373	1.6
217.15923	1.7
219.11838	1.1
219.13797	1.9
221.13354	2.0
221.15465	3.0
223.14873	1.5
223.17119	0.7
225.12831	0.9
225.16441	0.9
227.14348	1.8
227.17877	4.4
229.15988	1.7
233.15445	1.5
235.14853	1.5
235.17082	2.2
237.16444	1.2
239.14322	1.2
239.18102	0.8
241.15952	1.4
243.17442	1.7
245.15450	4.4
245.19006	5.9
247.16977	5.0
251.14308	1.1
251.17986	1.2
255.13699	1.0
259.20544	1.1
261.18610	1.8
262.15585	0.8
267.17526	1.7
269.19083	1.7
271.16949	1.3
285.18335	1.2
287.20160	5.5
291.21124	0.9
293.18915	1.4
304.20480	1.3
305.21255	2.0
309.18762	1.4
309.22162	1.4
311.20108	1.3
311.23550	1.1
325.21616	1.4
333.22269	1.3
335.20209	0.9
335.23843	4.7
353.21027	2.2
353.24838	3.3
355.22675	0.7
369.24237	1.8
377.24475	1.7
395.25827	6.8
413.26862	54.6
414.27344	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3416
Annotation	10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoic acid
Peak:m/z	Relative Intensity
51.23199	3.8
52.96024	3.2
53.03938	3.8
55.05512	27.6
57.03447	3.7
57.07071	7.2
62.89328	3.5
65.03950	7.2
67.05508	34.6
69.03425	11.5
69.07072	40.6
70.69772	12.2
71.04998	27.0
71.08624	4.0
72.89106	4.0
79.05498	26.8
81.03399	6.4
81.07059	100.0
83.04975	4.4
83.08629	18.8
85.06544	7.5
91.05478	29.9
93.07043	71.5
93.07572	7.4
95.08607	96.4
97.06521	13.6
97.10181	13.6
99.04464	62.9
99.08096	8.5
101.06015	5.3
105.07037	67.2
106.06528	9.6
107.08595	74.5
109.06522	4.8
109.10163	59.4
111.04485	5.6
111.08101	7.9
111.11742	4.7
117.06990	7.0
119.07806	6.3
119.08592	70.2
121.10155	65.1
123.08102	6.5
123.11738	27.4
125.09628	21.5
131.08582	22.1
133.10135	63.7
135.08043	5.3
135.11699	42.4
137.09607	4.5
137.13228	8.9
137.45143	4.4
139.11255	6.9
141.09106	15.5
145.10106	25.7
147.11682	52.5
149.13242	31.0
151.07562	4.8
151.11165	11.2
155.10699	8.3
157.10159	13.5
159.11722	26.8
161.13263	41.5
163.14842	13.8
165.16371	4.1
171.11671	8.7
173.13222	18.6
175.14835	28.0
177.12712	5.2
177.16382	12.9
183.13835	4.9
185.13339	5.9
187.14844	16.2
189.16399	27.1
191.17989	5.3
197.13202	4.0
199.14879	5.5
201.16420	12.0
203.18013	34.1
205.15875	5.1
211.14719	5.8
213.16348	8.1
215.17889	6.9
217.19559	10.1
225.16429	4.6
227.18034	6.0
229.19331	8.5
231.21172	5.7
248.94415	3.9
285.25742	21.2
319.47006	4.0
366.49524	3.9
395.33160	21.5
397.84784	3.6
413.22003	8.6
413.29675	7.5
413.34262	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.0
53.88995	3.6
55.05514	51.3
56.14230	3.9
57.03441	21.8
57.07077	53.3
67.05187	4.1
67.05513	47.4
68.11333	4.4
69.03432	13.3
69.06730	6.1
69.07072	76.6
69.95404	16.2
71.04993	16.0
71.08633	28.6
74.94921	4.0
79.05491	35.1
81.03419	6.7
81.06601	6.4
81.07059	87.9
83.04978	9.7
83.08170	4.0
83.08624	53.4
85.06533	11.4
85.10178	15.3
91.05483	26.1
93.07051	64.9
95.08617	100.0
97.06528	14.3
97.10168	29.7
98.20808	4.1
99.04463	28.3
99.08047	5.5
101.06027	4.9
105.07032	47.5
107.08601	72.5
109.06513	8.2
109.10169	48.6
111.08035	10.1
111.11716	8.5
117.07020	9.9
119.08585	47.7
121.10149	58.2
123.08083	8.2
123.11712	31.3
125.09641	20.7
131.08556	15.9
133.10138	38.8
135.11707	34.6
137.13235	12.3
139.11192	8.4
141.09074	8.4
143.08572	7.3
145.10144	25.5
147.11707	27.7
149.13263	24.8
155.10631	7.3
157.10106	10.4
159.11731	29.4
161.13292	21.2
163.14801	15.2
166.35619	3.9
171.11743	9.3
173.13261	18.1
175.14824	15.3
177.16385	21.8
185.13367	6.8
187.14801	13.0
189.16408	10.7
191.17978	8.0
195.17468	4.9
199.14859	12.8
200.26482	4.6
201.16402	6.2
203.17921	24.6
205.19644	4.3
213.16467	5.1
215.17859	5.9
217.15933	5.1
238.50169	4.2
283.24091	4.4
285.25793	13.8
321.31488	14.0
395.33551	7.6
411.14459	4.4
413.21783	9.3
413.36484	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45972	3.4
53.03946	5.2
55.05515	26.5
57.07072	14.2
57.57619	3.7
65.03883	4.2
67.05505	38.5
69.03420	7.2
69.07069	50.3
69.38207	30.0
71.05003	19.2
71.08632	6.5
79.05497	28.3
81.07056	87.1
83.05009	7.1
83.08630	20.1
85.06550	7.7
91.05483	28.7
93.07047	77.6
95.04971	5.9
95.08613	100.0
97.06530	14.7
97.10185	10.2
99.04465	53.0
99.08080	6.5
101.06011	5.8
102.15493	3.8
105.06395	5.8
105.07037	63.7
107.08594	74.8
109.06512	8.3
109.10163	62.0
111.08075	8.1
111.11720	7.0
117.06985	10.3
119.06073	3.3
119.08579	63.4
121.10152	52.9
123.08070	7.2
123.11709	34.5
125.09647	13.0
129.07059	5.2
131.08562	17.2
133.10132	62.2
135.11681	42.9
137.09622	8.1
137.13235	10.3
139.11180	7.0
141.09097	20.3
141.44952	3.5
143.08601	10.7
145.10112	25.2
147.11711	52.7
149.13226	29.8
151.11198	8.5
153.09056	7.2
155.08595	5.2
155.10681	10.1
157.10117	13.5
159.11696	30.7
161.13295	35.7
163.14838	19.4
171.11690	10.2
173.13275	40.3
175.14847	27.5
177.16389	11.2
183.11739	6.9
185.13300	5.8
187.14844	20.7
189.16382	25.2
191.17943	5.7
199.14824	9.0
201.16402	11.5
203.17986	29.4
211.14844	4.2
213.16396	9.6
215.18004	12.4
217.19495	9.1
227.17935	8.3
229.19553	13.9
231.21104	5.9
241.19482	5.7
243.21001	4.0
253.19669	4.4
263.23615	3.6
269.22641	7.5
283.24185	5.8
285.25854	33.8
295.24084	4.1
321.25522	4.6
337.28824	6.4
364.21881	4.8
371.98151	3.9
377.32019	6.3
395.33206	25.3
413.34241	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19792	1.7
53.03940	2.1
55.01877	1.7
55.05517	58.7
57.03439	20.1
57.07078	61.1
67.05503	23.3
69.03442	4.0
69.07073	72.5
71.04991	3.5
71.08637	35.7
71.52521	1.7
73.06567	2.6
75.04498	2.2
79.05502	11.5
81.03430	2.6
81.07064	40.6
83.04983	5.5
83.08627	57.7
85.06561	3.6
85.10189	20.4
91.05496	2.8
93.07047	17.3
95.08617	41.6
97.06553	10.9
97.10181	30.8
99.11769	1.5
100.67224	1.5
105.07025	4.6
107.08599	16.9
109.10165	21.9
111.08089	7.7
111.11743	9.6
115.07564	2.5
119.08589	5.2
121.10168	13.5
123.11718	8.9
125.09649	8.4
125.13297	4.7
129.07100	1.4
129.09119	2.2
133.47453	1.5
135.11697	15.9
137.13293	4.2
139.11211	5.5
143.10742	2.1
149.13240	11.2
151.14850	3.7
152.30029	1.9
153.12766	5.4
159.11674	3.3
163.14836	5.8
167.14398	5.7
175.14783	1.7
177.16397	5.8
177.18034	1.7
181.15855	3.4
191.18011	4.3
195.17477	3.8
205.19556	2.4
209.19098	2.4
223.20523	2.6
233.22795	3.2
237.22110	1.9
247.24265	2.5
251.20146	1.7
303.30533	6.0
321.31531	16.2
395.35303	19.3
413.36353	100.0
414.36792	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	413.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46716	1.0
53.03925	3.0
55.01868	1.9
55.05516	57.8
57.03441	21.1
57.07080	53.1
59.04981	1.3
67.05186	1.3
67.05514	25.0
69.03419	2.5
69.07073	77.0
70.11176	2.0
70.11549	2.1
71.04988	2.7
71.08637	34.3
73.06561	1.7
75.04488	2.5
79.05499	10.9
81.06590	1.9
81.07064	32.7
83.04975	4.7
83.08623	45.3
85.06548	3.2
85.10188	17.4
87.04475	1.3
91.05482	3.0
93.07043	17.7
95.08610	32.4
97.06534	9.4
97.10180	31.9
99.08099	3.2
99.11756	2.2
101.06029	2.0
105.07031	2.7
107.08598	13.1
109.10165	14.6
111.08063	7.9
111.11719	8.5
115.07561	1.9
115.66558	1.1
119.08603	2.0
120.36581	1.0
121.10151	17.0
123.11695	8.7
125.09629	9.2
125.13309	2.7
129.09113	2.3
131.08527	1.1
133.10110	1.2
135.11707	15.4
137.13260	3.6
139.11206	8.6
139.14819	1.3
143.10695	1.8
149.13278	10.4
151.14818	1.2
153.12794	7.2
157.12233	2.0
163.14803	7.6
167.14247	5.1
171.13895	1.6
173.13239	1.4
177.16452	3.1
181.15906	3.5
185.15436	1.2
191.17932	3.5
195.17473	2.1
199.16841	1.6
205.19595	1.4
209.19060	2.8
219.21123	2.1
223.20625	2.2
233.22627	1.6
237.22128	2.4
247.24223	1.3
251.23711	2.0
266.57028	1.3
295.57654	1.2
303.30551	7.1
303.33463	1.0
321.31546	13.3
395.35251	16.8
413.36313	100.0
414.36478	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.3779
Annotation	Adiantone
Peak:m/z	Relative Intensity
55.05503	4.9
57.07058	5.7
59.41128	1.7
67.05487	4.9
69.07072	8.6
71.08612	3.9
71.51962	2.3
78.29274	2.0
79.05486	11.0
81.07063	18.5
83.04965	7.0
83.08597	6.0
85.10186	2.7
87.81049	1.8
88.95611	1.7
89.00536	1.8
91.05462	4.3
93.07038	4.4
95.08607	10.6
97.06537	88.6
97.10141	3.3
105.06998	4.7
107.08582	7.3
107.40717	1.6
109.06525	100.0
109.10126	7.0
111.11675	3.6
119.08566	4.8
121.10115	6.1
123.08085	10.9
123.11689	2.1
133.10083	4.8
135.11670	3.3
145.10123	4.4
147.11728	2.4
159.11693	3.2
161.13243	3.8
163.11169	2.2
163.14825	3.4
173.13341	2.6
174.25729	2.2
177.12752	2.3
183.58897	1.8
201.16432	1.8
213.16432	2.2
256.35071	1.8
261.25818	2.1
395.36694	6.0
413.32376	12.1
413.37711	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.9539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	7.9
56.96843	0.6
58.56461	0.4
58.79290	0.5
60.02477	0.5
69.56347	0.9
69.56759	1.9
71.95284	2.3
79.43536	0.4
86.38843	0.4
91.52182	0.4
97.76911	0.4
98.97589	100.0
110.03739	0.4
116.98631	31.7
130.93346	0.6
134.99690	4.6
140.00226	0.5
153.00685	0.5
154.93336	0.5
169.20172	0.4
172.94370	6.5
174.77470	0.4
190.95491	2.5
214.95430	4.3
219.02022	0.9
232.96469	5.4
250.97592	1.6
256.96451	24.2
258.99866	2.2
261.00464	0.4
261.03079	2.4
274.97522	99.6
275.97913	1.5
277.00830	1.4
281.59497	0.5
282.99969	0.9
292.98587	38.7
297.99066	1.8
310.99777	0.7
316.00192	0.8
400.95352	0.5
414.95316	5.4
432.96326	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	415.1003
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
50.00013	8.1
51.05680	7.3
62.78812	8.5
69.58429	48.5
80.39259	7.7
94.75200	7.2
101.46835	7.1
106.96500	6.7
110.94923	7.4
115.56360	7.2
120.09694	7.5
317.31830	9.0
415.10007	100.0
415.15228	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	415.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26990	4.9
56.96558	23.7
64.87595	6.4
69.40543	4.8
70.06578	11.6
70.22066	10.4
70.22458	11.5
72.08136	4.9
72.93785	7.3
74.80109	4.4
84.08119	6.1
84.96047	10.3
85.02898	7.8
89.10006	4.4
91.20154	4.4
98.21529	4.9
98.97594	100.0
110.97580	47.5
112.99105	11.0
116.98670	22.1
128.98605	24.7
132.95827	4.4
137.06015	25.1
143.00261	6.7
146.99666	4.8
150.05453	7.1
158.97481	8.0
158.99631	11.4
170.99654	7.3
189.00760	4.7
201.00716	7.2
208.00282	5.5
219.01802	61.8
223.02736	7.7
226.01498	9.9
234.99033	14.4
235.02821	16.8
235.61508	4.4
237.02831	95.2
241.03842	12.5
253.03891	7.6
255.03975	5.8
259.04770	6.1
263.04434	5.8
337.05988	12.1
355.07141	6.1
367.06894	16.1
385.07968	10.6
415.10086	71.5
428.67117	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	415.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.1
56.96559	20.7
61.02925	5.3
67.80200	2.9
69.03421	6.7
69.34415	13.4
69.34828	11.8
72.08142	3.8
80.62945	3.0
84.08181	3.1
84.96041	9.6
85.02900	10.5
89.03227	3.1
97.02902	6.7
97.96814	3.5
98.20759	5.2
98.96940	5.5
98.97588	100.0
107.04981	6.4
110.97565	27.3
112.99111	6.1
116.98635	22.4
119.01899	3.2
124.99136	5.3
128.97791	3.1
128.98604	18.3
130.08626	3.2
131.00220	3.4
134.99771	3.0
137.05968	14.8
143.00220	4.5
146.99727	3.9
147.04457	10.1
148.04630	4.2
153.90253	3.1
156.03317	4.1
158.97342	3.6
158.99649	17.9
161.31206	3.0
170.99652	7.6
174.04378	3.5
177.00676	4.7
186.04440	6.2
193.04169	3.4
201.00711	5.6
216.97774	3.5
219.01781	42.7
226.01863	3.7
235.02747	10.7
236.98994	3.2
237.02832	42.1
238.01555	4.4
241.03925	7.8
241.72740	3.3
253.03877	12.0
263.58371	3.2
265.03918	4.3
277.03870	14.4
277.99585	3.6
295.01605	3.9
295.04742	16.2
302.56689	7.4
337.05954	5.2
367.07013	4.5
415.09973	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1026
Annotation	1-OH-Nogalamycinone
Peak:m/z	Relative Intensity
50.04757	0.2
53.03926	0.2
55.01640	0.2
55.01871	1.3
57.03409	0.7
61.02891	0.3
65.03921	0.2
67.05482	0.3
68.99770	0.9
69.03402	0.6
69.07048	0.2
70.06563	0.5
79.05501	0.2
81.03429	1.4
81.07031	0.2
83.01295	0.2
84.08137	1.3
85.02896	2.1
86.09673	0.7
89.18865	0.2
91.05463	1.3
92.99785	0.2
93.06985	0.3
95.04944	0.8
97.02881	1.1
105.03386	0.4
107.04221	0.1
107.04944	0.9
109.02171	0.3
109.02859	1.8
113.45000	0.2
119.04124	0.2
119.04942	3.8
121.02866	8.4
121.06481	0.2
123.00780	0.7
123.04422	0.2
126.49344	0.2
127.03870	0.4
131.04893	0.8
133.10063	0.2
135.04387	0.6
137.02325	0.4
137.05922	0.8
141.01823	1.5
145.01759	0.3
145.02831	3.1
145.06441	0.2
147.04362	0.6
149.02333	0.8
153.01822	0.5
159.04419	0.6
161.05984	0.3
163.00240	0.2
163.02556	0.3
163.03908	5.7
165.01834	17.6
166.02129	0.3
167.03380	0.4
167.50562	0.2
169.02818	0.2
171.04509	0.3
173.02266	0.3
173.06009	0.2
175.03847	0.5
175.07495	0.4
176.01042	0.2
177.01768	0.5
177.05473	0.7
179.03352	0.4
181.04968	1.2
183.02901	4.0
187.03931	2.2
189.01823	0.8
189.05341	0.2
190.02534	0.3
190.99730	0.4
191.03387	2.5
191.08543	0.3
195.02846	0.3
195.06436	0.2
199.03902	0.2
203.03349	0.7
205.04979	1.0
205.15601	0.2
207.02849	0.4
209.00729	0.3
209.04407	0.4
215.03357	1.0
217.04932	0.2
221.04460	0.3
225.07793	0.3
229.04930	0.7
231.02866	0.5
231.08020	0.2
233.04401	0.8
235.16946	0.3
239.07097	0.4
240.40903	0.2
242.05714	0.4
242.11871	0.2
243.02904	1.3
249.03738	0.2
253.08549	0.3
254.05310	0.2
255.06485	0.9
258.11237	1.1
261.03912	0.7
263.07098	0.3
266.05557	0.3
267.06528	3.1
269.04648	0.3
270.05197	1.6
271.05994	6.3
273.03891	0.2
277.08508	0.7
279.06567	2.3
280.07202	0.4
281.04877	0.4
281.08081	12.0
282.08374	0.3
283.06000	100.0
284.06448	3.1
286.10709	0.6
289.08490	0.2
291.06586	0.5
292.07303	0.2
293.08032	0.7
294.05151	0.9
295.05997	8.5
295.09586	2.7
296.06573	0.2
297.03937	0.7
297.07553	2.9
305.08014	3.1
307.05997	2.6
308.06769	2.1
309.04132	1.7
309.07544	32.1
310.07840	0.8
311.05527	0.8
313.07040	3.7
320.06638	0.4
321.07559	3.4
323.05731	0.8
323.09116	16.7
324.09369	0.7
325.07074	0.7
333.07538	4.2
335.05545	0.6
335.09094	0.2
337.07047	43.8
338.07422	0.9
349.07068	12.5
350.07394	0.3
351.08630	3.1
355.08148	0.4
361.07068	10.3
362.07224	0.3
367.08127	18.3
368.08350	0.5
379.08130	19.3
380.08575	0.5
397.09192	19.0
398.09732	0.5
415.10233	14.4
415.18738	1.1
416.10587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.9
55.05755	0.6
56.05017	0.9
57.03474	0.6
67.05508	0.7
69.03458	0.6
69.07063	0.9
69.29343	0.7
69.40186	5.1
70.06597	100.0
71.06935	1.2
72.08160	33.5
72.93819	0.6
73.08510	1.7
74.06068	0.8
84.04513	4.5
84.08157	5.2
84.22968	0.6
85.02919	2.6
86.09714	22.4
86.43427	0.7
97.02894	0.7
98.06062	1.9
98.21619	0.7
102.05557	7.3
107.04944	0.8
110.06056	1.1
111.05592	0.7
116.07095	15.1
116.07845	1.1
122.06020	0.6
127.08712	4.4
128.07108	1.1
128.10716	0.8
129.10228	3.0
130.05048	2.3
132.10216	1.1
133.06143	2.1
136.06284	0.9
137.06052	2.5
143.11790	1.0
147.04367	0.7
148.06119	1.7
155.08163	12.6
156.57671	0.6
157.13489	0.9
158.97421	0.9
170.04568	1.0
171.11369	2.1
173.09219	11.2
173.10551	0.7
183.07765	2.6
183.14932	5.4
187.07303	1.0
195.02924	0.8
201.08714	15.2
205.08264	2.7
211.14403	5.6
215.13995	2.2
217.05052	0.8
234.98866	0.7
235.06053	0.8
239.00215	0.7
246.14670	2.0
247.06093	0.7
254.14977	1.5
265.07321	0.7
272.16107	1.1
277.07187	0.7
282.14685	2.2
284.12466	0.9
300.15594	3.6
302.13510	23.5
302.17001	1.2
365.22543	1.1
397.21024	0.8
415.16565	1.7
415.21829	15.4
416.22534	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.3
57.03423	3.4
57.07082	15.2
59.04988	2.9
67.05506	30.5
69.03437	2.9
69.07070	13.2
71.08611	11.6
71.52002	3.7
79.05499	22.0
81.07063	52.9
83.04967	4.2
83.08596	11.5
85.02906	4.9
85.06506	6.9
85.10165	4.4
91.05456	15.8
93.06509	3.1
93.07047	34.3
94.60622	2.5
95.01310	7.1
95.04966	2.8
95.08067	4.4
95.08609	47.3
97.10143	5.7
98.98486	17.2
99.04407	4.3
101.05977	9.2
105.06531	2.4
105.07042	25.4
107.04937	3.3
107.08009	3.3
107.08602	40.8
109.06509	4.8
109.10165	28.9
111.08063	6.6
119.08587	29.2
121.10159	34.3
123.08083	4.0
123.11712	14.5
125.09625	6.0
129.05486	3.0
131.08534	9.6
133.10155	17.1
135.11714	17.4
137.05876	2.7
137.13254	4.1
139.07481	6.2
141.01790	8.0
145.10141	13.5
147.11703	19.2
149.13271	33.0
155.01060	18.6
157.10045	4.6
159.11694	13.5
161.13258	15.3
161.56880	2.4
163.14815	12.7
167.10657	3.8
173.13208	7.5
175.14717	5.5
177.16397	3.7
183.10144	5.5
183.11674	2.8
185.11737	4.5
185.13293	4.8
187.14812	9.0
189.16351	5.5
191.17833	4.3
203.17949	6.0
205.15742	2.6
215.17934	4.1
217.19441	10.3
227.17839	3.2
239.23677	7.0
243.21011	6.7
246.20032	2.5
261.22192	20.2
351.84705	2.5
379.29831	2.7
397.31293	12.3
397.35681	2.6
413.23328	2.8
415.20895	12.5
415.30371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3574
Annotation	3,4-Dehydro-gamma-tocopherol
Peak:m/z	Relative Intensity
53.15431	0.7
55.05505	2.1
57.07086	3.9
67.05496	3.2
69.03423	0.8
69.07079	3.4
69.44663	0.7
71.08623	2.7
71.25479	1.0
81.07066	4.0
83.08621	1.9
85.10185	1.6
89.06036	0.7
93.07022	1.0
95.08614	7.7
97.10153	2.4
105.07022	2.5
107.08582	1.0
109.06510	0.8
109.10122	1.5
111.04443	2.3
111.11709	1.7
119.08601	1.7
121.10170	0.7
123.08083	6.9
126.58034	0.7
126.59065	0.7
131.08585	1.3
133.10147	0.7
135.08066	5.6
145.10117	1.9
147.08139	0.8
149.09648	2.3
150.06897	0.7
151.07556	100.0
152.07893	1.9
158.07199	0.9
159.08061	1.2
162.06746	1.0
163.07584	1.9
163.11163	1.9
165.09109	4.0
173.09627	2.0
176.08350	2.7
177.09113	10.5
177.10493	1.1
191.08932	1.6
191.10687	30.4
205.12227	6.9
215.44801	0.7
219.13904	0.8
246.14941	0.7
278.70828	0.7
415.35513	3.2
416.36700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01864	2.4
55.05511	19.0
57.03419	2.3
57.07063	6.6
59.04983	2.1
65.03932	2.3
67.05511	28.8
69.06734	3.2
69.07074	52.5
69.46949	16.5
71.04979	8.3
71.08629	2.4
79.05504	20.2
81.07061	56.2
82.02938	2.1
83.04993	3.0
83.08615	10.6
85.06541	5.6
90.95255	1.7
91.05473	20.4
93.07054	46.6
95.04961	3.4
95.08614	79.2
96.08918	3.8
97.06510	3.0
97.10160	5.4
98.20763	3.8
99.08071	3.5
103.51560	1.9
105.04481	2.5
105.07032	29.8
107.04951	5.7
107.08603	41.9
109.06477	3.2
109.09471	3.7
109.10162	51.3
111.08103	3.0
111.11721	23.9
113.09675	5.1
117.06968	3.4
119.08590	44.4
121.06505	3.8
121.09347	3.1
121.10159	47.0
122.07278	6.5
123.08121	14.6
123.11698	22.6
124.08414	3.1
125.05999	2.9
125.09627	2.8
127.07530	2.9
127.11179	3.8
131.08534	9.1
133.10135	28.5
135.08093	5.5
135.11702	29.5
137.06015	3.6
137.13274	13.3
139.07495	3.3
139.11140	5.8
141.09120	3.1
145.10159	15.7
147.08107	3.6
147.11699	20.7
149.09654	3.8
149.13281	19.4
150.06763	15.3
151.07559	100.0
151.14819	5.8
152.07878	39.7
153.08661	3.7
157.10155	5.9
159.08090	2.9
159.11711	12.4
161.09587	2.6
161.13252	14.8
163.07561	5.5
163.11183	4.9
163.14836	15.9
164.08281	2.5
165.09053	3.3
167.14349	2.8
171.11618	4.1
173.09680	2.7
173.13245	16.9
175.14806	9.1
177.09055	12.1
177.16420	17.6
179.10658	3.3
185.13251	4.1
187.14835	9.6
189.09111	2.2
189.16446	12.3
191.10693	21.3
191.17921	9.8
192.11095	9.9
193.12206	2.4
201.12727	5.6
201.16399	5.9
203.17941	10.0
205.12199	9.2
205.19365	4.7
207.13766	4.5
215.17966	3.0
217.12234	3.0
219.13829	46.2
229.19609	6.3
231.21036	11.3
233.15436	3.3
237.14867	6.7
241.19527	2.7
243.20990	4.3
257.22629	3.5
259.16888	2.9
261.22171	2.3
369.31650	3.7
397.30521	20.0
397.34909	10.3
415.35690	83.3
416.36063	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	415.3573
Annotation	13Z,16Z,19Z,22Z,25Z-octacosapentaenoic acid
Peak:m/z	Relative Intensity
53.03919	2.9
55.05514	20.2
57.07084	12.3
57.79632	1.8
67.05182	2.8
67.05508	35.1
69.03418	4.6
69.07074	41.0
69.60107	5.1
69.60513	11.2
71.05004	15.0
71.08618	3.9
78.05952	2.2
79.05499	27.8
79.68754	2.1
81.07059	92.1
83.04940	2.7
83.08611	16.1
85.06546	5.4
89.19047	2.1
91.05416	12.7
93.06483	3.9
93.07052	61.9
95.04986	3.7
95.08613	100.0
97.02770	2.3
97.06531	7.4
97.10160	9.4
99.04460	46.8
99.08096	6.1
105.07034	27.4
107.08605	72.8
109.06517	6.1
109.09483	3.9
109.10167	54.8
110.10522	2.3
111.08086	5.6
111.11713	3.7
113.09644	4.0
117.07024	3.3
119.08578	35.7
120.56757	2.3
121.06487	3.5
121.10149	51.2
123.08021	3.8
123.11710	25.6
125.09619	9.2
127.07523	4.0
131.08528	7.5
133.10129	23.1
135.11697	42.6
137.13258	14.5
139.11102	3.1
141.09122	17.8
145.10143	8.7
145.71233	2.3
147.11702	21.0
148.41617	2.1
149.13281	36.8
151.07524	3.6
151.11179	8.9
151.14816	4.4
153.09122	3.9
155.10721	5.6
159.11687	15.4
161.13284	22.8
163.14819	31.9
171.11633	3.1
173.13242	10.5
175.14819	11.4
177.16379	12.3
183.11864	2.7
187.14777	6.8
189.16389	7.7
191.17940	6.6
199.14940	3.0
201.16383	5.8
203.17990	6.1
205.19527	8.0
213.16347	4.6
215.17865	3.8
217.19586	4.5
219.21014	2.4
229.19499	4.2
231.21072	6.3
233.22600	6.5
233.25035	2.0
241.19522	3.0
257.22757	2.7
283.24020	2.4
285.25662	4.5
287.27292	9.4
298.77475	2.4
303.23315	2.7
339.30573	3.4
379.33618	5.9
397.34729	14.3
415.35779	41.4
416.35901	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	415.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.8
57.07074	8.0
63.00814	2.5
67.05249	2.0
67.05515	26.2
69.06726	3.5
69.07075	36.2
69.46343	17.3
71.04992	4.3
74.73248	2.6
75.68445	2.4
79.05500	20.5
81.07064	66.5
83.04944	3.4
83.08611	11.7
85.06524	3.3
85.10195	3.1
91.05456	12.4
93.07053	29.2
95.08615	77.2
97.10162	13.5
98.21573	5.3
99.04467	5.5
105.07034	18.0
107.08596	37.5
107.27420	2.5
109.06525	7.4
109.10168	37.5
109.23589	3.2
109.34328	2.9
111.04468	7.6
111.11715	4.7
117.06967	2.9
119.08588	23.0
121.06508	2.7
121.10146	31.3
123.08051	12.0
123.11724	18.9
125.09647	5.8
131.08549	10.1
133.10156	13.3
135.08040	10.7
135.11682	14.9
137.09711	4.8
137.13255	9.2
139.11189	4.6
141.09097	3.5
145.10139	9.7
147.11711	11.1
149.09645	7.2
149.13261	11.2
151.07553	100.0
151.11128	7.4
151.14873	2.4
152.08012	3.4
158.48805	2.5
159.08052	5.2
159.11708	7.0
161.13268	6.5
162.06728	5.2
163.11198	8.1
163.14839	6.4
165.09125	3.4
165.12837	3.7
171.11693	3.8
173.09645	5.2
175.14789	6.8
176.08357	4.6
177.09126	62.2
177.16425	4.2
178.09441	3.7
187.11203	4.3
187.14871	4.0
189.16405	6.3
190.09761	4.5
191.10686	84.4
191.17993	3.5
201.16357	3.9
203.17848	3.2
205.12274	47.9
205.19737	3.6
219.13936	3.3
247.24147	3.4
263.20090	3.8
275.23434	4.3
397.34637	11.6
415.35715	41.4
416.36365	8.0
425.06149	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	416.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	20.2
55.01854	3.9
55.05490	2.8
57.02452	2.5
57.03429	4.8
60.04511	2.7
61.02921	4.8
64.14418	2.7
69.03429	55.3
69.56886	5.4
69.57295	13.9
70.06607	5.1
71.04981	4.4
73.02923	9.2
79.05479	5.3
80.05022	4.6
81.03423	73.2
84.04517	4.0
85.02905	64.9
87.06610	2.5
97.02888	29.8
99.04456	17.5
103.03945	5.2
103.05454	12.3
105.07028	5.2
107.04945	13.2
108.04485	36.8
109.02888	62.6
115.05453	5.7
123.04437	5.6
126.05534	10.5
127.03930	68.5
131.04999	5.2
135.08011	8.4
139.03883	5.1
145.04955	18.2
145.06499	6.9
148.05194	4.2
154.06264	38.3
161.05989	3.6
163.07533	38.1
167.07063	61.0
168.06625	2.8
169.04915	6.2
173.05986	9.7
181.04944	31.1
187.06042	54.3
187.07585	2.5
191.07045	5.7
195.10182	100.0
204.08670	7.8
205.07083	28.3
233.07997	4.3
274.56714	3.2
387.14352	6.6
414.76563	3.1
416.12692	3.8
417.15588	16.1
424.30240	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	416.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
56.05020	0.4
58.06584	0.6
64.26411	0.4
64.91692	0.5
69.07072	7.2
69.83120	1.1
69.83532	1.8
70.06596	13.5
71.06931	1.9
72.08160	41.3
73.08481	1.3
74.02437	1.5
81.03405	0.6
84.04509	1.7
84.08154	4.7
85.02918	1.0
86.09709	100.0
87.04443	0.5
87.05595	3.2
87.10061	1.4
88.03984	0.6
97.02882	0.8
102.05552	1.5
110.06075	0.5
110.07121	0.8
112.08727	1.0
116.07089	1.6
117.07452	0.6
127.08727	1.0
129.10228	3.1
132.10252	1.0
133.06093	20.6
135.09337	0.5
137.06032	0.7
143.11801	13.0
155.08179	0.8
157.13359	5.2
171.11299	19.7
173.09331	1.2
174.09567	0.7
185.12817	2.4
201.08800	1.5
202.09035	1.2
205.08293	0.6
228.13478	0.8
228.17252	0.5
229.11813	2.9
239.17528	4.6
246.14502	20.4
253.93359	0.6
256.20288	0.6
284.19736	4.7
292.71548	0.5
297.04242	0.5
302.13586	0.7
303.13837	1.3
317.18231	1.6
359.69470	0.6
374.05585	0.5
398.03354	0.5
414.18613	0.5
416.25827	1.1
425.86475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72120	0.4
55.05512	0.6
57.07067	0.6
59.92001	0.4
65.31463	0.4
67.05506	2.7
69.03419	0.7
69.07064	1.0
71.42955	0.6
71.43293	0.4
72.80123	0.4
79.05484	1.4
83.05010	0.4
83.08594	0.5
86.74947	0.4
93.07043	0.9
95.08614	6.7
105.07039	1.4
107.00066	0.4
107.04974	3.7
108.05735	0.9
109.06493	0.5
111.04463	0.8
119.08593	0.5
121.06503	1.8
122.07292	7.7
123.08086	10.4
124.08865	0.7
135.08052	3.1
137.05991	2.3
138.06760	1.3
145.10158	1.0
149.09587	0.4
150.05551	0.8
150.06776	19.8
151.07555	100.0
152.08345	7.4
159.08118	0.4
161.05971	0.4
163.07584	1.2
163.11195	1.3
164.08345	3.5
173.09648	1.4
176.08383	0.7
177.09135	1.8
178.09399	0.5
190.32178	0.4
191.08957	0.9
191.10684	16.5
205.12212	1.1
247.53738	0.4
373.31116	0.5
416.36526	65.0
417.36963	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99670	2.7
52.29333	2.2
53.03956	4.1
55.93525	5.6
56.94312	12.9
56.96550	6.7
57.03432	3.9
62.22449	2.6
69.03429	17.3
69.58069	16.0
70.06596	27.0
70.95853	8.5
71.14518	2.5
72.08144	3.3
72.93783	24.4
74.95338	6.6
81.03420	6.0
84.04521	5.3
84.08129	3.9
84.96013	3.2
85.02908	23.3
86.09690	8.1
89.94029	4.0
90.94825	11.9
97.02897	18.4
98.20829	4.1
98.97594	21.1
102.94798	3.4
104.96378	3.7
107.04947	11.7
109.02856	6.3
110.97563	8.0
112.08747	3.7
114.94839	2.9
116.98638	4.7
118.94316	4.0
119.71747	2.6
123.04430	4.1
127.03935	8.0
128.96310	5.5
128.98601	5.8
129.10201	2.4
130.97963	4.9
132.94862	4.3
132.95847	75.0
133.02861	5.0
139.03893	6.7
140.96350	4.6
144.95830	34.1
145.04906	2.9
146.97292	2.4
147.04440	4.3
150.05579	4.0
150.96904	24.2
152.07104	2.7
156.95819	5.1
158.97414	53.4
158.99568	4.1
160.41226	2.6
162.96883	8.4
166.29732	2.5
166.97958	5.6
168.95799	9.4
170.97369	9.3
170.99667	4.4
174.96848	14.6
175.59013	2.7
176.98462	13.6
180.95767	4.3
186.96933	23.5
188.98447	5.5
190.96353	3.1
192.97980	5.7
196.95326	12.9
197.96111	18.0
198.96901	24.1
203.06906	3.2
204.97986	4.8
210.97012	12.5
211.94060	30.8
211.97595	6.4
212.98503	6.4
214.96443	12.8
215.97243	12.4
216.97952	36.0
219.01776	10.2
220.05014	3.6
220.97739	2.5
221.96193	3.2
222.97089	3.3
228.97975	7.9
229.05405	6.8
229.95039	3.3
232.97411	3.4
234.96666	5.1
234.99001	98.0
235.02583	4.1
235.94040	7.1
235.97670	2.6
237.02765	7.0
238.06033	3.6
238.96356	7.2
239.97191	10.0
240.98015	4.7
243.50160	2.7
251.97145	10.0
252.97778	3.3
253.00157	5.2
254.99522	14.7
263.97177	10.6
265.98743	3.5
266.99493	17.0
273.00644	3.5
275.97208	33.4
277.00095	31.5
278.99573	22.1
290.96094	3.0
290.99451	10.6
297.00516	12.3
325.00079	4.3
342.00333	49.5
355.00879	3.5
357.02692	100.0
375.03879	4.4
415.08713	2.6
416.26218	3.7
417.04565	4.6
417.17020	8.3
417.24759	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	417.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09935	1.4
55.01879	2.3
61.02941	1.6
65.03946	2.1
67.05487	1.9
68.99802	5.0
69.03436	1.9
69.62196	4.7
69.62617	4.3
70.06589	2.3
79.05499	2.1
81.03410	5.8
81.07053	2.2
85.02905	7.8
86.09711	5.7
91.05482	5.1
93.03415	2.3
95.04988	10.6
97.02888	2.9
98.21489	2.8
99.04450	1.7
103.03939	1.7
105.07038	2.3
107.04966	7.3
108.39123	1.3
109.02894	5.6
109.10127	1.6
109.51781	1.3
115.05459	1.9
117.07021	3.9
119.04961	9.1
121.02875	20.6
123.00808	1.6
123.04446	11.4
124.05223	1.6
127.05477	1.6
131.04932	2.8
131.23943	1.2
131.91660	1.4
133.10101	1.4
135.04439	5.7
141.01811	2.3
145.06496	5.6
147.04424	27.7
149.02356	5.3
151.03975	2.2
151.11224	2.3
152.62044	1.6
153.01859	4.4
155.06049	3.6
163.03931	18.7
165.01846	62.9
167.07053	66.4
173.05997	9.4
175.04063	2.6
177.01854	33.6
178.99814	1.9
179.03461	2.0
181.04953	15.6
183.02913	14.7
187.03914	2.8
189.01860	12.0
191.03404	60.1
193.01489	2.4
195.02905	6.2
201.12431	1.5
202.42830	1.4
203.03430	5.4
205.04919	3.9
205.08629	1.8
207.02951	5.1
209.04509	2.7
215.03380	5.0
217.01428	2.9
219.02902	100.0
220.03117	2.0
231.02904	38.3
233.04527	4.5
233.08090	4.6
237.03873	2.9
243.02933	15.9
249.03979	11.2
261.03983	38.3
273.07443	2.6
279.05017	8.7
285.07614	42.2
297.07724	32.5
339.08658	66.4
351.08679	26.9
363.08716	12.0
369.09772	3.4
381.09753	12.6
387.14529	8.3
399.10748	14.3
417.15845	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	417.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03423	2.0
61.02926	1.5
62.09335	1.0
65.03943	1.1
67.05494	1.5
68.00475	0.8
68.99801	2.8
69.03423	1.1
70.06605	1.1
70.39021	2.1
76.07295	0.7
78.04736	1.1
79.05489	3.0
81.03416	3.1
85.02898	5.7
86.09718	1.0
91.05441	4.6
95.04980	7.3
97.02934	1.5
103.03936	2.5
105.03428	1.0
107.04975	6.2
109.02883	7.0
115.05446	2.4
117.06992	1.7
119.04958	7.6
120.82088	0.8
121.02879	21.5
121.06504	2.1
123.00780	1.3
123.04428	11.5
127.03933	1.5
131.05019	0.9
135.04416	6.3
137.02380	1.1
141.01801	1.7
142.58998	1.0
145.02853	1.1
145.06511	2.5
147.04420	29.5
149.02364	3.8
151.03917	2.1
152.04567	0.9
153.01823	3.6
155.06088	1.4
159.04350	1.3
163.03935	19.0
165.01845	64.8
166.02232	1.1
167.07057	31.4
173.06017	6.6
175.03920	3.2
177.01845	35.8
178.99765	1.7
179.03374	3.5
181.04994	9.4
183.02917	13.6
187.03923	4.1
189.01859	11.8
190.99838	2.1
191.03406	60.3
193.01274	2.3
195.02919	5.1
197.00858	1.9
202.02521	1.1
203.03366	3.4
205.04979	3.5
205.08670	1.6
207.02887	4.9
209.00861	0.9
209.04431	1.9
215.03433	7.3
217.01334	3.6
219.02901	100.0
220.03174	1.5
231.02896	36.1
233.04584	4.2
233.08157	2.7
237.03966	1.5
243.02904	13.5
249.03966	10.9
261.03958	32.9
262.04337	1.1
273.07556	3.9
279.05011	9.7
279.19785	0.8
285.07608	42.6
294.28839	0.9
297.07684	37.1
309.07574	2.1
337.07208	0.9
339.08643	58.8
340.08884	2.2
351.08646	25.2
363.08609	9.7
369.09601	2.8
381.09720	12.1
387.14304	5.1
399.10764	13.9
400.10803	1.4
417.10928	1.7
417.16269	6.5
434.85330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71210	0.7
55.01863	1.9
57.03434	1.4
57.38247	0.8
61.02919	1.4
62.93864	0.7
65.03936	1.6
67.05492	1.8
67.82477	0.6
68.99767	3.7
69.03417	0.8
70.06593	1.1
70.89337	1.7
77.03987	0.8
78.04729	0.8
79.05482	1.6
81.03405	3.3
85.02907	6.5
86.09686	0.9
88.55015	0.7
91.05516	3.9
95.04976	8.4
97.02873	2.2
103.03932	1.9
103.05453	0.8
103.75784	0.7
105.03391	1.6
107.04958	5.4
109.02889	7.1
113.88562	0.7
117.07060	0.9
119.04942	8.6
121.02877	20.8
121.06505	2.5
123.00728	0.9
123.04432	9.6
131.04910	1.3
135.04419	4.9
140.69481	0.8
141.01865	1.3
145.02817	1.7
145.06493	1.0
147.04411	31.1
149.02332	4.1
151.03876	3.2
153.01823	4.9
159.04337	0.7
161.02293	0.8
163.00278	0.8
163.03922	19.4
165.01842	68.7
167.07050	16.4
173.06004	2.7
175.03880	3.7
177.01831	34.2
177.05405	1.1
178.99883	1.0
179.03334	2.2
181.04980	3.8
183.02910	12.6
187.03891	3.8
189.01820	10.3
190.99747	1.7
191.03398	59.2
193.01350	1.7
195.02853	5.0
197.00844	1.2
199.04044	1.1
203.03398	4.6
205.04921	5.3
207.02963	4.9
209.00856	1.5
209.04474	2.1
215.03386	5.1
217.01306	2.1
219.02896	100.0
220.03346	1.4
231.02898	38.2
232.03227	0.8
233.04478	5.3
233.07967	0.9
235.09654	0.9
237.03958	2.1
243.02881	14.7
249.03978	9.4
261.03955	30.3
262.04361	1.0
273.07599	3.7
279.05002	11.0
285.07578	45.0
286.07730	1.1
297.07721	34.9
298.07968	1.3
299.05563	0.9
309.07483	2.3
311.05334	0.7
311.09073	1.2
313.07184	0.7
339.08643	68.5
340.08960	2.2
351.04340	1.5
351.08661	28.4
352.08832	1.0
363.08655	11.4
369.09726	3.2
381.09747	13.0
387.14395	1.4
399.10733	11.1
417.11325	2.2
417.16257	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	417.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.4
55.05502	10.8
56.05030	3.6
57.03426	10.9
61.02929	5.6
64.60449	2.7
68.99792	7.6
69.03139	3.1
69.03439	35.7
69.07063	5.7
70.06593	37.1
71.51058	4.6
72.08161	100.0
73.16917	3.5
74.06088	4.6
75.04465	3.1
81.03415	10.7
83.04994	5.7
84.04508	15.4
84.08142	8.9
85.02915	37.1
86.09711	84.0
87.05571	4.1
91.05501	6.2
92.49940	3.0
93.07095	4.8
95.04959	7.6
97.02892	8.2
98.97646	3.3
102.05531	5.7
103.03963	7.9
107.04975	23.8
107.08588	4.7
109.02872	5.6
110.07159	3.6
111.04484	16.4
111.05123	3.4
112.08761	3.9
112.53350	3.5
116.07058	5.1
119.04925	9.3
120.08141	3.4
121.02867	8.1
123.04418	13.8
125.51185	3.0
127.03873	5.3
127.08698	5.5
129.10191	5.1
133.06517	3.7
133.10143	3.7
135.04462	3.4
137.05971	3.6
139.03920	25.9
143.11797	9.5
145.10112	4.2
147.04398	6.1
151.03952	16.9
153.01811	10.2
161.05972	7.1
163.03865	14.4
163.05066	3.1
163.11211	11.8
165.01834	28.8
167.07002	5.5
171.11328	9.0
171.83888	3.2
175.03970	5.3
177.01802	19.8
179.03345	4.0
183.02943	3.3
183.11290	4.2
185.16504	11.9
187.03824	3.9
187.11031	3.5
189.05504	6.9
189.12395	5.8
191.03395	27.9
193.04976	9.1
195.02910	40.5
201.12408	3.5
205.04970	52.8
205.11829	3.6
213.16058	7.7
215.03375	4.9
215.07072	6.2
217.04999	40.1
219.02925	34.3
219.13843	6.0
221.05827	3.4
225.15938	3.9
229.04857	5.5
231.02972	18.7
231.06493	11.9
233.04372	5.0
233.08034	6.3
235.05966	42.8
237.14873	3.8
243.02971	4.6
243.06569	11.1
247.12875	7.0
249.03969	13.5
249.07602	20.8
255.06577	4.8
257.08066	6.7
259.06049	16.0
260.00644	3.8
261.04260	18.4
261.07584	44.1
267.08774	6.2
273.04169	3.3
273.07510	3.9
279.05032	9.9
279.08636	19.7
285.07535	12.1
297.06174	11.2
303.08560	21.1
315.08508	14.0
319.08023	9.4
327.08435	8.5
333.09711	9.6
337.09204	7.5
345.09805	21.9
363.10748	18.4
381.11908	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	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
51.02373	0.6
53.03923	2.0
53.04146	0.5
55.01859	1.8
57.03407	0.8
62.15732	0.5
63.02871	0.5
65.03939	3.7
67.05481	1.4
69.03407	1.5
69.07061	0.7
69.51946	1.6
69.52370	1.8
70.06590	2.6
71.04984	0.8
77.03913	0.7
78.04705	3.2
79.05488	4.6
81.03387	1.1
81.07040	1.1
82.04183	1.5
84.08120	1.0
85.02918	3.0
86.09700	0.6
91.05486	2.8
93.03390	1.4
93.07057	0.7
95.04939	1.9
95.08617	0.6
96.05760	0.5
96.34430	0.6
97.02879	1.6
97.06516	0.9
103.03929	0.8
103.05462	7.3
105.03385	0.7
105.04471	0.5
105.07023	2.1
106.04159	1.8
107.04956	8.5
107.08556	1.0
108.02086	1.0
109.02830	0.9
109.06465	0.8
109.10166	0.7
110.03640	2.1
111.04432	0.7
115.05441	4.5
117.07024	6.0
118.04136	1.4
119.04932	0.5
119.08562	0.8
120.05705	0.5
121.02835	0.6
121.06532	0.7
121.10120	0.5
123.04434	7.7
124.05239	3.2
125.05968	1.8
127.03887	0.6
127.05421	0.8
129.07025	0.6
130.04140	0.8
131.04922	4.7
132.05669	0.6
133.02847	0.7
133.06482	1.0
133.10127	1.3
134.03607	0.8
135.08070	0.8
137.02345	0.6
137.05960	1.8
138.03111	1.5
142.02609	2.1
143.04922	1.2
143.10617	0.6
145.06493	8.1
147.04411	0.8
147.08032	0.5
148.05185	3.8
151.03920	1.8
152.04675	2.6
153.05438	2.0
155.06021	4.0
161.05981	1.5
161.13156	0.5
163.07533	5.8
165.01802	0.8
167.07040	100.0
168.07394	1.8
171.06511	1.5
173.05988	14.9
173.63838	0.5
175.07573	0.8
176.46451	0.5
178.06161	0.5
181.04955	55.4
182.05228	1.2
183.06517	0.6
187.07576	1.2
190.06067	0.5
191.07047	15.8
193.08698	0.8
195.06509	1.8
201.05473	1.0
205.08597	3.6
207.06502	1.0
207.10182	0.9
209.08005	0.7
209.09767	0.6
217.08577	1.0
219.17543	0.6
221.07935	0.6
223.07663	0.6
226.09801	0.6
227.06929	0.7
233.08018	7.9
233.10043	0.6
235.07652	0.9
235.09669	3.5
237.05498	0.6
237.09039	1.3
241.08453	0.8
242.09372	1.3
247.07574	0.8
251.06995	1.2
253.08589	1.1
255.06544	1.1
257.11755	1.6
261.09030	0.6
263.09235	0.7
265.08707	1.3
266.09479	0.8
267.06497	1.9
267.10254	1.2
269.11832	0.8
271.09711	1.5
272.10397	1.2
273.11133	0.6
278.09451	0.7
279.10208	0.7
281.08066	0.6
283.09778	1.1
285.11209	4.4
287.05331	0.5
293.08179	0.7
293.11716	0.9
297.07654	1.3
297.11243	2.4
307.09485	0.9
309.11234	2.1
311.12915	1.1
321.11383	1.4
323.09286	0.9
329.10129	0.9
335.09222	0.6
335.12976	0.7
339.12317	3.6
351.08521	0.6
367.11560	0.6
369.13333	1.4
381.13336	3.2
385.12674	0.6
387.14438	13.6
399.14407	2.9
417.15512	25.7
418.15775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone E
Peak:m/z	Relative Intensity
53.03922	1.1
55.01846	0.5
58.08598	0.4
65.03942	3.6
67.05486	1.3
69.03421	1.1
70.70229	1.1
74.52094	0.4
77.03931	0.5
78.04706	2.8
79.05489	3.3
81.03420	0.6
81.07050	0.6
82.04186	1.3
85.02889	1.7
91.05478	2.6
93.03410	1.0
95.04960	1.4
95.08572	0.4
97.06531	0.9
103.05476	7.3
105.03370	1.0
105.04547	0.6
105.07060	0.8
106.04164	2.8
107.04958	6.1
108.02095	0.8
109.06518	0.4
110.03674	1.0
111.04408	0.5
115.05470	4.2
117.07012	6.4
118.04170	1.8
119.04974	0.8
121.06477	0.5
123.04431	8.0
124.05222	3.1
125.05936	1.0
127.05437	0.7
127.44323	0.4
128.06035	0.4
129.06967	0.4
130.04140	0.7
131.04945	5.9
132.05757	0.5
133.02814	0.9
133.06493	1.1
134.03665	0.7
137.05960	1.0
138.03107	0.9
142.02634	1.2
142.07634	0.4
144.05714	0.8
145.06494	8.7
147.08028	0.7
147.77864	0.4
148.05202	4.0
149.05965	0.5
151.03893	1.8
152.04688	1.7
152.36475	0.4
153.05478	1.3
155.06039	4.3
156.05667	0.6
159.08095	0.5
161.05994	1.0
163.07549	6.0
167.07042	100.0
168.07385	1.4
171.06528	1.5
173.05989	13.8
175.07558	0.8
177.05522	0.5
181.04958	47.9
182.05205	0.8
187.07532	0.6
191.07039	18.0
193.08678	0.6
195.06543	1.3
201.05499	0.5
205.08615	4.2
207.06511	0.6
207.10170	0.5
209.08110	0.5
217.08647	0.7
219.10176	0.8
221.07904	0.7
233.08076	7.5
235.07465	0.7
235.09604	3.9
263.09238	1.0
325.10547	0.6
329.10168	1.6
355.11942	0.5
357.13202	0.6
367.12161	0.6
381.13373	0.6
385.12891	1.0
387.14374	12.0
399.14340	0.7
417.15494	23.8
418.15775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03933	0.9
55.01846	0.7
57.40282	0.5
65.03943	3.9
67.05484	1.5
69.03423	1.1
69.62732	2.1
69.63138	1.2
70.16675	0.5
78.04720	2.5
79.05504	4.5
81.07043	1.2
82.04189	1.9
85.02884	2.0
91.05473	1.9
93.03392	1.2
93.07027	0.6
95.04948	1.8
97.06562	1.1
100.11248	0.7
103.05472	6.7
105.07027	1.7
106.04160	2.1
107.04964	5.8
109.06510	0.7
110.03645	1.7
111.04451	0.6
115.05467	4.2
117.07015	6.3
118.04179	0.9
121.06496	0.8
122.03631	0.7
123.04431	7.3
124.05221	2.8
125.05993	0.7
127.05461	1.4
130.04160	0.7
131.04918	3.8
133.02867	0.9
133.06505	1.1
134.03622	0.6
135.71344	0.5
137.05937	1.1
138.03139	1.0
142.02632	1.2
143.04861	0.6
143.79739	0.6
144.05675	0.6
145.06487	7.6
145.10135	0.6
147.08025	0.9
148.05153	2.8
149.06010	0.6
151.03894	1.4
152.04675	1.9
153.05452	2.1
155.06033	3.8
157.06514	0.5
161.05997	1.2
163.07571	4.4
167.07043	100.0
168.07359	1.2
171.06490	1.4
173.05991	16.2
175.07599	0.9
176.04709	0.8
178.28175	0.5
181.04961	45.4
182.15303	0.6
187.07674	0.7
191.07042	15.1
193.70602	0.5
195.06566	0.6
201.05484	0.7
202.05988	0.6
205.08611	2.9
210.14803	0.7
217.08679	0.8
221.08069	0.6
233.08057	7.1
235.09698	3.5
241.08701	0.5
263.09241	0.7
267.10175	0.7
329.10248	1.3
339.12112	0.8
352.54938	0.5
354.95026	0.6
381.13184	0.6
387.14371	13.2
399.14294	1.5
417.15488	24.2
417.31143	0.8
418.15808	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03158	0.5
54.58763	0.5
55.01846	2.3
55.59499	0.5
57.03443	0.6
57.41199	0.5
65.03917	2.1
65.62230	0.6
67.05488	0.9
68.99786	1.7
69.03419	1.2
70.95428	1.5
77.03959	0.6
78.04685	2.3
79.01865	0.6
79.05466	1.8
81.03394	2.1
85.02901	4.1
85.51078	0.5
86.09677	1.7
91.05458	2.7
93.03420	0.9
95.04987	4.6
97.02847	1.4
97.06510	0.8
103.03927	1.8
103.05449	1.4
105.03368	0.9
106.04158	2.2
107.04976	4.9
109.02901	3.3
110.03647	0.7
115.05461	3.6
117.07027	5.9
119.04965	5.0
121.02876	10.9
121.06523	1.5
123.00794	1.0
123.04443	11.0
124.05217	2.1
127.05369	0.8
131.04942	0.7
133.02821	0.7
134.03705	0.6
135.04431	3.5
137.02333	0.8
141.01863	0.7
144.05717	0.6
145.02861	0.7
145.06514	8.2
147.04416	15.2
149.02371	2.3
151.03909	2.5
151.44719	0.6
152.04688	1.8
153.01830	2.9
153.05438	1.1
155.06071	4.6
161.06090	0.8
163.03932	11.7
164.68109	0.7
165.01845	36.6
166.02180	1.0
167.07051	100.0
168.07385	1.5
171.06543	0.7
173.06001	14.8
175.03902	1.7
175.07535	0.7
177.01842	19.6
177.05315	0.7
178.99704	1.3
179.03450	1.7
181.04961	18.3
183.02914	8.2
187.03935	3.0
189.01842	6.7
190.99792	1.4
191.03407	35.1
192.03799	1.2
193.01419	0.9
195.02946	3.3
199.03838	0.8
201.05344	0.8
203.03465	3.5
205.05006	2.4
205.08603	3.7
207.02890	2.4
209.04460	1.2
215.03438	3.3
217.01381	2.3
219.02904	55.2
220.03302	0.9
231.02896	20.2
233.04483	1.8
233.08087	8.2
235.09753	3.8
237.03952	1.2
243.02905	7.9
249.03943	4.5
261.03964	18.3
273.07678	1.8
279.05029	6.0
285.07578	24.1
286.08051	1.2
293.54453	0.6
297.07727	21.9
309.07690	1.3
311.09286	1.2
339.08652	38.1
340.09146	1.8
351.08688	15.2
352.08957	0.7
363.08633	6.7
369.09656	1.3
381.09729	6.9
387.14435	13.9
387.19308	1.1
399.10855	6.9
417.15613	28.3
418.15930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01865	3.8
57.03448	3.4
61.02917	2.1
65.03930	1.8
67.05511	1.7
69.03426	10.7
69.07091	1.8
70.06584	4.7
70.79314	3.9
71.04993	14.0
72.22326	1.3
73.02915	3.0
78.04712	4.2
79.05482	4.6
81.03419	15.1
81.07048	3.6
81.78546	1.6
83.05017	1.5
85.02908	26.1
86.09695	2.7
87.00844	11.2
91.03954	1.9
91.05474	4.0
93.07017	2.0
95.04976	6.3
97.02897	12.8
97.06520	1.6
98.20844	1.8
99.04475	3.3
100.11206	1.5
103.05447	2.0
105.01871	4.4
106.04188	1.6
107.04967	6.4
107.08558	2.0
109.02878	11.6
109.06544	1.9
109.10151	2.7
115.05481	4.1
117.01822	1.9
117.07023	6.0
119.04913	3.5
121.02844	3.6
123.04430	11.7
123.11694	1.5
124.05209	2.6
127.03928	19.4
131.04861	1.6
135.04485	1.9
137.05984	4.2
140.68228	1.5
145.04980	5.2
145.06482	10.6
147.04372	7.7
151.03929	3.3
151.11168	12.9
151.97862	1.6
152.04707	2.5
153.01846	3.6
155.06062	3.3
159.02904	5.7
163.03909	6.3
165.01854	20.4
165.70712	1.5
167.07042	100.0
169.12228	3.2
173.05963	19.0
177.01843	6.4
181.04961	17.2
183.02896	6.0
187.03865	2.2
191.03391	14.2
193.06776	1.5
195.02953	1.9
203.03423	2.3
205.05026	1.8
205.08595	4.2
215.03404	2.3
219.02931	20.8
231.02834	5.5
231.04887	2.0
233.04388	1.7
233.08054	8.0
235.09703	3.7
243.02916	2.3
249.03873	2.1
261.03937	8.7
279.05029	4.2
283.05978	1.9
284.06241	4.2
285.07318	16.1
297.06976	3.0
309.07584	1.8
325.10114	1.9
338.07629	1.7
339.08447	13.8
351.08215	3.2
363.08487	1.9
369.09521	8.3
381.09317	3.3
387.14285	13.4
399.10321	6.3
417.11118	4.1
417.15848	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	417.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10598	9.0
55.05503	11.7
57.07080	10.9
59.90651	10.2
67.05505	35.5
69.07064	20.6
70.06609	13.8
71.51288	9.0
71.51779	13.4
75.09438	10.4
79.05479	32.3
81.07078	61.6
83.08639	9.3
85.06547	12.5
91.05476	39.2
93.07073	48.4
95.04967	14.1
95.08619	62.8
101.40224	9.5
105.07030	86.9
107.08598	64.3
109.06506	69.1
109.10151	36.2
117.07076	14.2
119.08571	100.0
121.10136	82.2
123.11732	17.6
129.07027	17.9
130.01953	10.0
130.89581	12.4
131.08568	61.1
133.10135	67.6
135.08069	17.1
135.11690	40.5
137.09627	12.2
137.12137	9.5
139.11031	10.8
142.07794	22.2
143.08578	34.3
145.10117	58.4
147.08069	22.1
147.11681	29.1
149.09612	19.6
155.08571	20.0
156.09464	14.5
157.10063	52.1
159.08052	17.3
159.11717	23.1
161.09573	15.2
163.11188	11.0
169.10146	28.6
171.11684	28.3
173.13280	32.5
175.11154	14.7
175.14767	11.4
179.08540	11.2
180.09407	13.2
181.10136	24.4
183.11705	34.0
185.09630	23.1
185.13326	18.1
187.11128	11.5
187.14877	12.6
193.10121	10.9
194.10841	12.7
195.11739	37.3
197.13205	13.6
199.14801	11.4
201.12747	16.4
209.13263	27.4
211.14752	17.4
213.16347	9.9
219.11752	15.9
221.77052	10.0
223.14714	13.3
233.13162	13.7
237.16382	13.4
291.29294	11.0
357.25687	13.6
359.23727	24.0
375.26697	14.2
399.26831	23.9
417.27725	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22239	2.6
55.05516	86.2
62.91642	2.5
69.03439	4.5
70.06609	4.9
73.06553	20.5
73.95470	2.8
74.37901	2.8
84.08157	4.0
85.02898	8.8
86.09699	6.7
88.97508	2.4
91.05477	3.8
91.07605	67.4
97.02895	6.5
108.54549	2.5
110.07134	2.9
119.04905	2.9
120.08061	3.7
121.02852	6.4
123.04433	4.7
127.03935	3.5
149.02353	100.0
165.01817	4.6
167.07045	31.5
168.07367	20.2
173.06042	5.8
174.06296	3.1
181.04948	7.5
182.05292	4.7
192.03770	3.6
215.55531	3.3
221.08153	21.9
228.93628	3.6
234.08311	4.4
239.09230	3.8
284.06232	3.4
286.06842	7.0
292.13879	3.2
339.07538	3.0
340.07858	4.5
388.14664	5.3
399.87381	2.9
400.10657	3.2
418.15921	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.9
56.15360	1.7
56.96569	4.3
57.03448	2.4
57.06780	1.7
58.06602	1.8
61.02905	1.7
69.03440	4.6
69.71695	5.1
69.72121	6.2
70.06586	6.3
72.08163	12.1
74.06091	2.2
76.92953	1.7
81.03427	2.4
84.04515	3.2
84.08145	24.7
85.02904	11.5
86.09711	11.5
97.02913	4.4
98.20850	3.0
98.97591	12.3
103.05466	8.0
107.04969	10.0
110.06049	1.7
110.07153	2.7
110.97578	2.9
116.98624	2.6
119.04942	1.9
119.85943	1.6
120.08111	100.0
121.08472	2.2
127.04002	2.7
128.98549	2.8
129.10245	13.9
129.68208	1.8
130.04948	1.9
131.04956	3.9
133.02795	2.3
137.06007	3.1
144.95798	1.7
147.04376	3.5
149.06027	4.3
151.53525	1.7
155.53134	2.0
158.99603	2.6
166.08659	45.9
189.00801	2.1
200.14032	2.4
204.09821	2.0
214.11859	2.2
219.01810	5.3
220.02122	2.0
220.55112	2.3
229.05583	3.8
229.55647	4.6
234.98999	1.9
237.02751	4.7
238.03307	3.3
238.56126	1.9
252.95634	2.5
261.69165	2.2
299.20792	2.2
310.08136	2.4
413.55188	1.9
418.11200	2.4
418.17224	3.2
418.26450	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	418.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	0.9
64.60248	0.7
69.03438	1.9
70.10245	3.5
81.03392	0.9
83.16239	0.7
85.02906	5.4
86.09661	0.8
87.04476	1.3
89.06035	73.4
97.02882	2.4
103.88780	0.8
109.02843	1.0
127.03896	1.2
133.08612	40.0
138.96260	0.8
151.09686	4.0
177.11223	6.3
195.12274	3.5
202.45842	0.7
239.14903	100.0
240.15302	1.0
256.11642	0.7
344.66772	0.8
380.78577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
57.03200	0.4
57.03444	4.7
61.02917	1.6
68.91386	0.4
68.99800	1.1
69.03423	0.8
70.06590	1.4
71.36306	0.4
71.51144	0.6
73.02920	12.6
79.05477	0.6
81.03452	0.4
84.08144	0.6
86.09733	1.0
91.05467	0.5
105.07021	0.5
107.04951	2.9
111.00801	1.2
115.03925	0.8
120.08045	0.6
121.02876	3.4
133.02815	0.6
137.02344	1.1
137.06018	1.0
147.04402	0.8
153.01842	5.1
161.05943	0.4
165.01852	2.4
167.07130	0.6
183.02922	0.8
185.05904	0.6
193.08578	0.6
213.05508	1.5
213.93011	0.4
231.06505	0.6
241.04942	0.9
258.05298	1.3
265.60333	0.4
269.04416	0.4
274.93512	0.4
287.05508	100.0
288.05875	2.4
299.05511	1.4
301.81705	0.4
329.06406	0.6
337.07437	0.5
353.10187	0.6
383.07501	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0975
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01862	0.5
57.03441	0.7
61.02919	1.3
65.03939	0.5
68.39625	0.4
69.03418	0.5
70.06588	0.7
73.02922	12.3
83.04954	0.5
85.02956	0.6
86.09695	0.7
103.05553	0.4
107.04969	1.2
109.10206	0.4
111.00776	0.7
111.27805	0.4
115.03947	0.8
121.02911	3.1
121.23592	0.3
127.03869	0.4
131.04889	0.5
137.02287	1.0
137.05988	0.6
137.09572	0.4
146.52751	0.4
147.04433	0.9
148.07527	0.4
153.01826	4.1
154.70953	0.4
165.01816	1.7
167.07071	1.1
175.07478	0.5
181.04970	1.0
191.07062	1.5
197.06027	0.9
209.08081	0.4
213.05472	1.3
231.06532	0.7
241.04982	0.8
249.11229	1.0
257.08044	2.4
258.05231	1.6
270.47128	0.4
279.80286	0.4
287.05511	100.0
288.05899	2.0
419.14410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1338
Annotation	4,2',3'-Trihydroxychalcone 4-O-glucoside
Peak:m/z	Relative Intensity
51.02372	0.8
53.03946	1.9
55.01868	1.3
56.05018	0.6
61.02891	0.7
64.66511	0.6
65.03930	0.6
68.99778	1.2
69.03415	1.5
69.07069	0.6
70.06261	0.8
70.06602	10.5
70.07381	0.9
70.07777	1.4
71.05002	0.6
71.28835	0.6
72.08158	3.2
73.02914	1.1
74.85654	0.5
75.69823	0.5
79.05495	1.9
81.03418	0.9
84.04491	1.3
84.08133	3.1
85.02922	3.2
86.09701	2.6
88.18386	0.5
91.05485	1.2
93.07013	1.0
95.04958	1.9
97.02903	1.9
103.03965	2.0
103.05466	1.9
107.04962	100.0
108.05273	1.3
109.02880	1.3
109.06569	0.5
111.04443	0.7
115.05369	0.5
115.08694	0.7
116.07120	0.7
119.04950	3.0
120.08147	0.6
121.02885	1.2
121.06518	2.7
122.43062	0.5
123.04427	1.9
127.08678	0.9
129.10246	3.1
131.04962	1.7
135.04417	4.3
136.07550	0.8
137.06017	1.0
139.03914	9.6
145.06497	1.3
145.33755	0.6
147.04399	4.5
149.05984	14.6
149.07129	1.0
151.03926	5.4
157.06522	0.6
161.06023	1.0
163.03914	25.4
165.07010	0.9
169.06554	0.7
171.04457	0.9
173.06012	1.3
175.03923	9.7
175.05344	0.9
175.11929	0.5
176.04614	0.5
177.05481	4.3
181.05000	1.2
181.06523	0.7
187.03922	3.5
189.05516	2.0
191.06956	1.0
193.04982	3.1
197.05981	1.9
198.06709	0.6
199.03958	0.8
201.05469	1.6
201.09071	0.6
202.56221	0.5
205.04971	12.9
211.07559	0.8
213.05565	1.1
214.06277	0.6
217.04962	7.1
226.06392	0.7
229.05067	1.7
229.08557	2.7
235.06032	2.5
241.04965	1.0
243.06583	0.8
247.05963	4.8
255.06349	0.5
257.08096	19.6
259.06058	1.4
265.07187	3.0
269.08047	6.5
277.07156	3.0
281.08105	1.0
283.08142	2.4
287.09241	1.4
299.09204	6.5
314.81720	0.5
323.09216	2.4
341.10284	2.6
353.10422	1.6
365.10126	1.0
383.11404	1.5
401.12234	2.0
419.13635	0.9
419.18988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27832	1.0
55.01865	3.0
55.05506	2.8
57.03436	12.2
59.81418	0.9
61.02938	1.6
69.03436	18.4
69.20000	11.0
71.04996	71.2
73.02903	1.2
75.04459	3.1
81.04003	1.1
83.04983	2.4
85.02909	84.1
87.04482	2.6
99.04450	1.9
111.04447	1.7
113.16122	1.1
119.08565	1.3
129.05498	18.8
147.06499	1.6
161.06067	5.0
165.07013	2.6
167.07001	2.0
167.08513	1.5
169.06493	1.3
179.08653	1.2
181.05023	2.7
195.08081	6.4
196.08852	4.3
197.06038	2.5
209.09648	2.6
211.07550	1.9
212.08354	7.0
213.09093	2.4
223.07579	5.1
224.08366	4.0
225.09155	2.9
226.09906	3.7
227.07043	5.6
227.10654	10.7
228.07721	1.2
237.09192	6.2
238.09854	3.0
239.07042	2.6
239.10745	1.5
240.07799	4.2
241.08615	7.7
242.09367	19.6
243.10187	1.8
244.41531	1.0
251.07162	1.8
251.10777	1.4
253.08615	3.0
254.09428	2.0
255.10178	27.2
257.08151	1.4
257.11740	5.0
258.08914	7.0
261.09189	2.2
264.07715	1.4
265.08615	5.2
266.09387	8.5
267.10263	2.1
269.08060	2.2
269.11761	4.7
271.09738	4.9
272.10510	5.7
273.11227	100.0
274.11612	2.9
279.10208	2.3
281.08130	2.4
282.08859	3.5
283.09729	1.9
284.10474	15.1
285.11212	13.7
289.18411	1.5
291.10223	3.0
293.11816	2.6
295.09689	3.0
297.11215	18.3
309.11078	5.4
311.12622	2.0
315.12274	15.2
319.09915	1.7
321.11258	3.9
322.11972	1.7
323.12769	4.0
325.10638	2.1
339.12231	12.3
347.12994	1.8
365.13904	15.9
383.14658	2.1
401.15991	1.7
419.16895	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1701
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
55.01851	8.1
55.05500	4.8
57.03423	10.3
64.50718	3.3
70.06580	8.5
70.45708	6.7
70.46066	9.3
73.02905	16.7
79.05475	3.9
81.03411	8.5
91.05493	4.4
91.84718	3.5
103.05439	7.2
105.07022	4.8
107.04960	18.5
115.05436	6.2
117.07002	6.7
121.02901	6.1
121.30461	3.3
123.04429	6.2
125.06087	3.7
129.06978	4.1
131.04924	11.0
133.06465	5.5
137.05975	4.2
145.06483	4.6
151.03821	4.4
153.01828	13.3
159.07979	6.6
161.06042	7.1
163.07549	4.6
165.01810	4.7
167.07045	41.2
173.05978	13.5
177.05479	5.8
181.04948	14.7
183.06419	3.8
190.06146	4.5
191.07002	18.2
205.08629	17.0
208.05215	9.1
209.08076	12.4
217.08577	8.9
219.10002	4.4
235.09657	4.6
236.04543	4.0
254.05777	6.7
257.08090	14.1
269.08023	8.5
287.05502	100.0
288.05923	5.5
291.10019	5.2
292.21359	3.5
307.09598	4.4
315.08609	37.6
323.12601	4.0
330.10956	43.5
343.11743	4.9
351.12381	9.1
380.51205	3.9
383.14893	7.8
401.15817	4.4
419.14978	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.01875	2.4
55.05513	2.8
56.19851	0.8
57.03431	0.9
59.05000	1.7
59.12630	0.8
61.02956	0.9
65.03948	0.9
67.05514	1.4
67.77187	0.9
69.03438	2.9
69.07077	2.2
70.06599	1.9
70.15602	3.3
71.04997	15.8
73.06545	4.7
79.05501	6.1
81.03423	1.7
81.07064	22.5
85.02914	5.2
86.09693	1.3
87.00834	3.0
87.04437	1.0
91.05480	4.4
93.07050	15.9
95.08625	4.0
97.02903	1.6
97.06545	2.2
103.05515	1.4
105.01876	2.8
105.07026	2.0
106.12751	0.9
107.04930	2.2
107.08594	11.7
109.02914	1.4
109.10191	1.6
117.07036	0.9
119.08589	2.3
121.71838	0.9
123.04396	2.1
127.03893	1.8
133.10126	1.1
135.10699	1.5
135.11705	23.7
137.06056	1.0
145.06502	1.2
153.12756	100.0
154.13103	2.2
167.07069	5.6
168.07463	2.7
169.07610	1.5
173.05960	1.1
177.05405	1.6
178.00035	1.0
181.04958	3.5
182.05330	1.5
191.07117	1.2
209.08110	1.2
239.06847	0.9
249.11179	1.4
257.07977	1.5
287.05487	3.6
330.10776	1.1
419.16119	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39220	3.4
53.03946	5.3
55.01865	6.0
55.05502	5.6
57.03423	5.8
57.07081	38.8
68.99775	3.9
69.03435	28.2
69.07053	7.2
70.06581	5.1
71.05002	19.3
71.10206	5.9
73.02893	7.6
81.03412	23.3
81.07066	17.9
85.02905	43.7
85.06538	8.6
87.00832	22.2
91.05473	14.2
93.07038	18.5
95.04939	4.0
95.08588	9.4
97.02906	17.4
97.06521	13.1
99.04441	6.9
105.01868	14.7
105.07021	9.6
107.04949	7.3
107.08582	15.8
109.02888	17.1
109.06487	6.8
109.10147	6.9
112.82876	2.9
115.03898	8.2
117.07039	4.6
119.08588	11.6
122.64976	3.0
127.03920	22.8
129.30241	3.1
131.05016	2.8
135.11705	22.4
137.05971	4.0
143.08534	3.9
145.04938	8.0
145.10120	8.4
147.07985	5.7
149.09546	3.3
153.12750	100.0
155.08528	4.3
159.02887	6.7
165.12741	7.7
167.07057	6.0
171.08037	3.2
171.13820	10.4
173.09637	7.2
173.13205	3.5
189.12712	3.3
191.07149	3.3
201.03967	4.6
231.05032	5.4
243.13811	8.6
257.08087	8.9
261.15033	3.7
287.05548	12.5
347.14673	3.5
365.16077	4.7
383.16620	3.6
419.13727	3.5
425.09262	3.7
430.85861	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	419.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
58.18242	0.3
68.05042	0.4
69.70111	0.4
70.06595	100.0
70.56635	1.0
71.06934	0.8
72.08159	18.3
75.72945	0.4
81.33752	0.3
84.08155	0.5
86.09711	1.1
87.12306	0.3
89.80845	0.3
91.05470	0.7
91.71501	0.3
93.07050	0.6
94.04218	0.4
98.06055	1.7
100.07634	0.4
101.39484	0.4
103.05464	1.7
107.04960	1.0
110.07175	0.4
119.04927	0.4
120.08111	31.2
121.08508	0.3
126.05531	0.7
128.45291	0.3
129.10272	0.4
131.04964	0.4
131.69980	0.3
137.05968	1.6
147.04420	0.4
167.07065	0.9
169.13374	17.1
175.10794	4.6
197.12851	7.5
217.13368	14.6
245.12877	15.9
245.15460	0.5
272.16055	18.8
318.02557	0.4
327.12726	0.4
330.10886	0.5
344.12860	0.5
344.19653	4.4
345.13620	0.4
419.14395	0.5
419.22919	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	419.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05502	0.3
57.07065	0.8
61.98170	0.2
66.12276	0.2
69.07082	0.4
70.09753	0.2
70.82069	0.4
71.08614	0.4
73.70123	0.2
76.55478	0.2
83.04984	0.3
83.08607	0.3
85.06536	0.3
85.10212	0.2
89.11297	0.2
99.00813	0.7
99.04456	4.2
111.04446	4.1
125.05995	11.5
141.05479	4.3
142.30350	0.2
149.02304	0.2
153.05470	100.0
154.05809	0.8
167.07106	0.4
237.83374	0.2
274.40710	0.2
419.35205	30.2
420.35587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57646	0.2
55.01868	0.9
55.59865	0.3
57.07076	1.4
59.05011	0.4
59.41257	0.3
60.66241	0.3
67.05499	0.8
69.07058	1.0
70.02409	0.2
71.00259	0.3
71.08637	1.3
71.51516	0.4
81.07053	0.6
83.08614	0.7
85.10162	0.6
91.05479	0.5
93.07045	0.6
93.93584	0.3
95.08620	0.9
97.10201	0.4
99.00818	0.5
99.04462	3.8
105.07050	0.4
107.08610	1.0
109.10226	0.4
111.04448	3.6
111.08050	0.3
119.08585	0.6
121.10140	0.4
123.11729	0.4
125.06000	10.8
133.10143	0.6
135.08072	1.1
141.05453	4.7
143.08473	0.3
145.10176	0.4
153.05475	100.0
153.76401	0.2
154.05820	1.1
157.10258	0.3
157.42186	0.3
159.11743	0.4
163.22496	0.3
167.07024	0.7
181.08698	0.3
195.43561	0.3
228.61153	0.3
251.04713	0.5
288.10352	0.3
363.17285	0.3
401.38113	0.4
419.35211	30.7
420.35443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3523
Annotation	4beta,7alpha-dihydroxycholesterol
Peak:m/z	Relative Intensity
51.44999	1.0
53.03935	1.4
55.05511	7.0
57.06839	1.3
57.07083	17.0
67.05498	3.9
69.07077	13.2
69.80181	5.6
71.08636	12.2
79.05492	10.7
81.07063	11.6
81.92616	1.1
83.04986	7.1
83.08623	5.7
85.10181	4.5
90.64062	1.0
91.05498	5.4
93.07052	5.7
95.08610	8.1
97.06535	17.1
97.10155	3.5
99.04440	2.3
105.07033	3.7
107.04961	6.1
107.08588	4.7
107.09272	1.2
109.06512	7.2
109.10163	3.9
111.04416	3.4
111.08042	1.3
111.11745	1.4
119.08559	4.2
121.06503	1.3
121.10172	3.6
121.93138	1.0
123.08052	1.7
123.11722	1.9
125.06000	58.7
125.09651	1.2
127.03946	7.4
131.08542	2.0
133.10101	2.3
135.04411	1.9
135.08038	1.5
135.11726	2.5
137.05989	11.0
139.03922	6.9
141.05449	5.3
145.10132	3.0
149.09708	2.1
149.13266	3.4
151.03096	1.1
151.07510	2.7
153.05476	100.0
154.06123	1.4
159.11763	2.4
161.09625	1.3
163.07521	1.2
163.11165	3.4
165.08978	1.2
167.07065	3.8
173.13194	1.1
175.11205	2.2
177.09204	1.8
177.12680	2.7
179.10709	1.2
187.11200	1.3
191.10715	3.0
191.14427	1.2
193.12294	1.7
205.12286	3.6
205.16020	1.3
209.11697	1.4
234.30711	1.1
251.04776	3.5
265.18161	1.3
279.19635	1.9
293.21252	1.2
307.22702	2.4
331.66275	1.1
335.25974	1.3
363.29266	1.3
373.34689	2.9
401.34143	8.1
419.35211	83.0
420.35617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.7
57.07067	4.5
64.37234	1.2
67.05501	3.3
68.28956	1.2
69.07065	1.7
69.76939	7.5
71.08624	1.5
79.05483	1.4
81.07056	2.3
83.04961	1.8
84.69962	1.4
89.06023	1.4
91.05462	1.8
93.07053	3.0
95.08592	3.7
97.06519	1.6
98.21416	2.1
105.07022	3.4
107.08592	2.0
109.10158	1.9
119.08583	3.6
121.04136	1.2
121.10131	2.8
123.08067	1.5
125.06001	97.3
126.30389	1.3
131.08513	1.4
133.10213	1.6
135.08049	1.5
139.03914	3.8
145.10092	1.8
152.55423	1.2
153.05482	100.0
155.08528	1.4
157.10136	2.6
159.11803	1.3
177.42984	1.3
195.10091	1.9
195.81723	1.3
209.11867	1.5
251.04703	4.2
306.35382	1.3
307.10999	2.3
363.17215	3.7
419.29572	4.2
419.35190	57.8
420.36020	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25339	1.6
55.05493	6.3
57.03423	2.1
57.07077	100.0
59.04717	2.5
59.05003	44.0
66.36759	1.7
67.05494	5.8
69.07072	12.1
70.23618	1.8
71.08632	75.5
71.52290	1.9
74.12865	1.6
79.05492	2.8
81.07076	8.7
82.50703	1.4
83.04961	2.4
83.08625	8.8
85.09673	2.6
85.10182	49.7
86.42767	1.6
91.05488	4.2
93.07028	5.0
95.08632	8.2
97.10165	5.0
99.08033	1.6
99.11738	8.4
103.19865	1.4
105.07026	3.3
107.08614	12.3
109.06499	4.1
109.10130	4.8
111.08053	4.4
111.11681	3.1
113.13259	4.9
117.09138	12.0
119.08570	5.5
121.10136	6.0
123.08055	4.3
123.11686	3.5
125.05959	7.0
125.09637	2.8
133.10117	4.3
135.08041	6.6
135.11696	2.5
137.05945	2.7
137.09616	4.2
147.11673	3.6
149.02382	2.1
149.09607	5.8
149.13216	2.2
151.11140	1.6
153.05501	9.3
153.09106	14.4
153.12601	1.6
159.11649	3.1
161.13301	1.6
163.11096	1.9
163.14810	1.8
167.10762	2.0
177.12715	2.4
182.49107	1.7
187.14720	1.9
201.16440	1.8
209.11678	2.1
251.04628	3.5
285.27878	2.0
307.10944	4.2
363.17044	3.9
401.38235	9.3
419.34036	10.6
419.39035	8.0
433.94418	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.05530	1.0
57.07055	1.5
67.05488	3.7
69.03417	2.5
69.07056	3.5
69.89693	2.2
69.90089	2.9
71.04994	1.1
71.25296	1.1
79.05495	8.0
81.03415	2.4
81.07062	100.0
82.07369	1.3
83.07051	1.2
85.02920	6.8
87.00819	1.7
93.07049	1.9
95.08615	16.8
97.02883	4.4
98.21166	2.9
99.04488	1.3
105.01871	6.6
109.02928	1.4
109.10163	1.9
127.03894	5.9
137.05986	2.7
137.13272	22.2
139.64009	1.3
145.04956	6.1
231.05043	2.3
420.33502	2.6
437.67044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.5
69.03433	6.3
69.31019	34.7
70.06596	58.9
72.08163	7.8
77.01155	3.6
79.05482	7.3
81.07040	4.0
84.04498	4.2
84.08139	7.5
85.02926	19.0
86.09705	16.1
91.05490	97.3
95.04968	10.5
97.02931	3.8
105.07037	100.0
107.04972	35.5
108.05311	6.3
109.02869	7.5
110.07184	4.2
115.05486	12.1
119.04961	4.7
120.08115	6.2
121.02897	4.7
121.10063	3.3
122.03635	3.6
123.04424	6.4
129.10251	6.9
133.06499	16.7
135.04436	4.5
137.05984	65.2
139.03899	17.0
147.04425	4.2
149.06012	4.4
149.07271	4.1
151.03899	13.9
151.07585	7.8
157.06468	14.0
157.09695	5.3
163.03932	4.6
163.11201	3.7
165.05536	3.7
167.07024	12.9
177.05411	4.0
181.05019	9.1
181.06448	4.7
193.05017	7.4
205.04947	6.6
228.10045	4.2
229.15410	5.0
235.05884	5.1
237.09171	7.8
247.07397	4.1
253.08588	8.8
257.12848	8.7
259.09689	14.5
265.08774	6.5
271.09644	24.9
283.09686	26.6
301.10696	29.5
319.09549	6.6
325.10712	36.5
331.09552	5.3
337.10675	28.7
343.11301	5.4
349.10654	22.1
355.11517	4.5
367.11765	11.1
372.32654	4.3
385.12643	4.9
421.15445	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	421.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
53.06311	0.6
55.05504	2.3
64.58566	0.6
65.03918	0.9
66.54687	0.6
67.05495	2.9
68.99783	1.3
69.03431	5.9
69.07059	1.4
70.63134	0.6
71.02671	1.3
79.05493	6.4
81.03409	3.1
81.07047	6.1
83.04966	2.2
85.02898	0.8
86.09698	0.9
87.00845	2.6
91.05481	8.5
92.41854	0.7
93.07056	5.4
95.04972	1.4
95.08603	2.7
97.02893	2.4
99.04483	0.9
105.07031	9.5
107.04970	5.7
107.08602	22.4
109.02895	4.1
109.06522	2.1
109.10157	7.1
115.05434	2.7
117.07018	1.7
118.40211	0.6
119.08576	4.8
121.06506	2.0
121.10142	11.7
122.07291	6.6
123.08085	1.4
127.03924	14.1
131.08556	2.7
133.10138	100.0
134.10478	1.7
135.08051	8.2
135.11705	1.7
137.06009	2.5
137.09621	53.1
143.08604	1.5
143.64417	0.7
145.10127	1.8
147.11682	2.3
149.09633	3.0
149.13260	9.0
157.10219	0.7
158.10947	1.9
159.11682	1.3
163.14853	2.4
171.11674	1.1
173.13269	6.1
179.06967	0.7
181.08650	0.8
187.14920	0.8
189.25398	0.6
191.14314	39.2
213.03973	3.0
231.05103	1.7
231.13744	0.7
280.11884	1.3
299.16315	0.7
317.17279	0.9
335.18643	1.5
403.17542	1.4
421.18381	0.9
421.34421	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.05507	1.8
57.03422	0.9
57.07065	0.6
65.03929	0.8
67.00536	0.5
67.05504	4.5
67.97009	0.5
69.03433	5.9
69.07063	2.4
69.94212	2.2
70.06583	2.2
71.04984	1.0
77.03907	0.5
79.05495	7.2
81.03423	3.2
81.07055	7.1
83.04988	3.0
83.24539	0.5
84.08121	0.6
85.02897	2.2
86.09705	1.1
87.00820	2.0
91.05481	9.0
93.07046	4.5
95.04987	1.3
95.08613	3.7
95.66261	0.6
97.02903	2.7
97.06548	0.9
98.21427	0.7
98.73318	0.6
99.04462	1.4
103.05460	1.2
105.06388	1.1
105.07032	10.7
107.04959	7.3
107.07876	1.2
107.08601	23.5
109.02883	4.6
109.06530	2.3
109.10158	6.7
111.08074	0.8
115.05463	2.3
117.06991	2.7
119.04939	1.0
119.06065	0.7
119.08597	4.7
121.06507	3.2
121.10146	11.8
122.07299	7.7
123.04400	0.9
123.08067	2.0
127.03920	14.6
131.08566	3.6
133.10138	100.0
134.10493	1.7
135.04445	0.8
135.08070	8.0
135.11699	1.7
137.06010	4.1
137.09622	55.8
138.09984	0.7
143.08585	1.4
145.04996	0.9
145.06522	0.7
145.10126	2.4
147.04407	1.0
147.08063	0.6
147.11674	3.6
149.05879	0.7
149.09613	3.0
149.13266	7.9
151.03928	0.7
158.10941	1.6
161.05968	0.8
161.13245	0.6
163.03940	1.1
163.14847	1.9
167.07138	1.0
173.09305	0.6
173.13295	6.4
175.14864	0.6
185.13274	1.0
187.14943	0.8
189.12794	0.7
189.16522	0.7
191.03378	2.6
191.14316	44.8
192.14624	1.4
192.56876	0.6
203.17998	0.8
213.03900	3.7
231.04930	1.5
231.14037	0.5
259.09528	1.3
273.78470	0.6
299.16626	0.8
317.17422	0.7
327.08838	0.7
335.18591	0.7
403.17508	0.8
421.18747	1.2
421.34747	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	421.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
56.05026	0.9
60.04530	11.6
60.05650	1.4
65.03899	0.7
65.85635	0.8
68.05040	1.7
69.03391	0.8
70.06597	59.9
71.05005	6.9
71.07355	0.8
71.07701	1.3
72.07879	0.6
72.08167	7.3
81.03448	1.2
84.04491	0.8
84.08148	3.8
84.18295	0.7
85.02898	1.7
86.09720	3.8
89.47549	0.7
91.05490	1.6
93.07030	1.4
95.04998	0.7
95.05515	1.4
95.06102	21.0
96.08154	0.8
97.07665	3.7
98.06075	1.8
103.05463	2.8
107.04955	9.9
108.05298	2.1
110.07186	1.0
111.09156	0.8
112.07626	4.6
112.08743	18.3
113.07124	2.0
114.10313	4.6
115.08698	26.1
119.04987	1.4
120.08112	100.0
121.02886	4.1
121.08459	1.8
123.04429	1.5
127.08698	1.1
129.10248	1.9
130.06541	1.5
130.09747	3.8
131.04916	2.0
137.05946	1.3
138.10316	0.9
139.03937	1.7
139.08667	3.4
140.07126	1.5
140.08192	3.0
145.06503	0.7
147.04427	2.4
151.03931	2.2
153.01836	2.1
154.09737	2.8
157.09749	9.9
158.09288	1.0
163.03931	2.0
165.01837	1.4
182.09276	3.9
190.01259	0.8
191.03448	1.3
199.11929	18.7
205.04921	1.3
207.02843	1.1
209.04456	1.9
217.11713	1.3
221.04489	1.4
223.10802	17.2
242.12901	1.3
244.14447	1.3
247.70567	0.7
259.06305	2.5
259.15585	1.6
274.04752	0.8
277.07358	1.5
301.16635	1.1
312.12781	0.8
318.19196	1.3
329.16095	2.1
346.18655	1.5
362.17279	1.4
384.27643	0.8
386.17914	0.9
403.08051	1.8
404.19229	0.9
407.42377	0.9
421.09760	2.7
421.21927	92.2
422.22220	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01862	4.4
55.05513	11.3
57.03442	10.4
57.07080	37.0
60.13970	1.6
62.80666	1.4
65.03946	1.5
67.05510	15.9
69.03455	2.0
69.07077	16.0
69.69671	1.6
70.06583	3.8
70.15175	4.3
70.15582	3.0
71.04993	3.4
71.08639	3.0
79.05502	12.1
81.07061	31.4
83.04984	4.1
83.08630	4.6
85.06557	18.6
91.05480	10.0
93.07056	19.6
95.04970	1.8
95.08615	22.7
97.06534	5.1
105.07040	12.8
106.83512	1.4
107.08597	20.9
109.06530	18.9
109.10158	10.3
111.04436	4.2
111.08087	3.2
117.06968	1.9
119.08582	14.6
121.06509	2.3
121.10152	9.0
123.08070	10.0
123.11707	2.9
125.06023	3.4
129.07018	2.2
131.08554	5.0
133.10101	9.2
135.08049	23.8
135.11711	7.5
137.06000	22.3
137.09662	2.7
137.13272	2.8
137.54886	1.5
139.07542	3.2
143.08582	3.1
145.10152	6.2
147.11728	8.2
149.02354	1.9
149.09644	5.2
149.13254	4.8
151.07549	7.3
151.11139	4.3
153.12718	2.1
157.10178	3.8
159.11720	4.7
161.09642	4.1
161.13309	4.2
162.03125	3.7
162.53313	1.7
163.14832	2.5
165.12773	9.1
169.10196	2.9
171.11755	4.0
173.13301	1.9
175.11192	2.8
177.09184	1.7
177.12717	9.6
179.10681	1.9
179.14389	4.8
184.04434	2.2
185.13223	3.5
191.14326	3.8
193.05022	2.8
199.14911	2.6
206.05817	2.5
207.13777	10.2
233.19064	3.3
256.26468	2.9
261.18515	3.3
263.20105	5.8
306.66302	2.6
319.26328	15.0
320.67615	2.0
329.24765	5.5
337.27383	4.5
347.25821	100.0
348.26151	3.8
365.26898	20.8
393.30099	14.2
403.28458	3.9
421.29453	68.6
421.34644	7.8
421.78583	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89667	1.5
53.03942	2.1
55.01868	6.6
55.02434	1.6
55.05519	18.0
55.32200	1.7
57.03436	9.2
57.07085	11.3
61.32715	1.8
65.03943	3.0
67.05508	27.3
69.07072	28.9
69.85061	8.4
71.04979	2.6
71.08611	4.0
79.05502	19.8
81.07061	38.2
83.04980	7.0
83.08625	8.8
85.06532	8.9
91.05486	15.4
93.07056	32.8
95.04972	4.2
95.08607	35.9
97.06551	13.1
97.10151	2.4
105.07036	16.7
107.08604	33.5
109.06525	19.7
109.10151	13.4
111.04446	6.8
111.08096	5.5
111.11731	2.5
114.80637	1.7
117.07051	3.4
119.08580	13.5
121.10155	15.7
123.08080	12.9
123.11691	4.4
125.06013	6.6
125.09630	2.5
131.08566	5.0
133.10139	11.6
135.08066	36.8
135.11717	19.2
136.99992	1.9
137.05998	18.3
137.09578	4.5
140.12004	2.1
140.13177	1.9
143.08542	3.5
145.10107	12.1
147.08113	1.8
147.11691	8.9
149.09653	4.4
149.13290	5.0
151.07578	8.4
151.11165	4.4
153.12729	2.7
157.10135	5.2
159.11671	6.2
161.09641	5.1
161.13226	4.2
163.11194	3.6
163.14766	2.0
165.12766	4.8
167.14322	3.7
171.11745	2.2
175.11238	4.1
175.14874	3.4
177.12750	8.6
177.16402	1.9
179.14359	5.2
181.12270	10.2
183.11662	2.3
185.13304	1.9
187.14911	5.0
191.14282	3.7
195.13785	1.9
197.13139	2.7
199.14818	2.4
201.16425	2.9
205.15871	2.5
217.16255	2.0
219.17607	2.6
221.19034	3.5
233.19136	2.2
235.20633	4.3
249.18495	3.5
255.85034	1.9
263.20294	5.1
277.21494	1.8
287.23715	2.0
301.25372	3.3
305.21484	3.1
305.24756	85.7
306.25290	2.6
319.26331	29.1
329.24863	7.9
337.27475	2.9
347.25851	100.0
348.26178	2.4
365.26868	9.4
393.30011	7.6
403.28516	5.7
403.33450	3.4
421.23740	4.1
421.29544	57.5
421.34836	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	421.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
53.98413	1.8
55.05510	19.0
55.30889	2.1
57.07076	27.8
59.05006	4.2
67.05511	26.3
69.03426	2.5
69.07079	16.8
71.08637	25.3
72.08146	5.5
79.05497	14.1
81.07059	33.0
83.04985	19.0
83.08614	7.8
85.10204	12.4
89.06041	44.8
91.05505	14.2
93.07047	28.4
95.04988	3.0
95.08620	54.4
97.06586	2.2
97.10165	9.3
97.10736	2.0
100.89909	2.1
105.07032	25.6
107.08604	33.7
109.06506	2.5
109.10162	36.2
110.80664	1.9
117.07042	6.4
119.08571	29.0
121.10143	23.6
123.08063	5.1
123.11684	9.9
125.09614	2.8
129.07074	4.8
131.08574	14.4
133.08626	27.1
133.10156	20.7
135.08058	6.1
135.11684	13.4
137.09610	7.6
137.13263	8.0
140.10735	12.0
142.07820	2.7
143.08614	9.7
144.09377	3.6
145.10138	26.5
147.11685	15.9
149.09622	4.0
149.13298	8.8
155.08539	3.6
157.10173	15.9
157.13356	12.3
158.10962	2.0
159.11687	22.9
161.09488	3.1
161.13243	9.7
163.14844	5.8
169.10164	7.0
171.11674	11.1
172.12411	2.3
173.13283	17.2
175.11180	2.6
175.14830	8.6
177.11235	4.7
177.16499	3.4
179.08658	2.1
183.11707	7.6
185.13277	15.9
187.14867	16.5
189.16382	7.2
191.14326	3.9
191.17900	3.8
193.10179	2.3
195.11971	3.6
197.13200	6.0
199.14828	8.2
201.16402	24.2
203.17957	4.8
209.13269	3.6
211.14883	6.6
213.12752	3.2
213.16307	10.1
215.14333	4.0
215.17938	7.1
217.15839	2.3
221.13438	2.1
223.14873	5.0
225.16357	5.3
226.35934	2.3
227.18039	12.0
229.15794	3.2
229.19522	4.3
239.14923	9.9
239.18002	4.2
241.19482	3.6
246.20418	2.0
251.18048	2.4
253.19521	6.0
255.21097	3.9
257.18881	2.1
257.22742	6.6
267.21033	4.4
269.19373	4.7
269.22668	22.7
269.42410	2.1
281.22601	3.3
283.20697	2.8
403.33618	9.6
421.30020	3.8
421.34680	100.0
422.34799	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	421.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32906	1.3
53.03946	2.5
55.05518	9.6
57.07071	3.3
65.03944	2.0
67.05508	19.1
69.07069	16.4
70.06619	1.7
71.05035	4.0
79.05499	16.3
81.07061	41.8
83.08605	5.5
91.05488	19.6
93.06481	2.4
93.07046	35.1
94.49052	1.4
95.04971	2.8
95.08609	58.6
97.10188	2.1
105.07035	39.9
107.04996	2.3
107.08598	39.8
109.06503	2.8
109.10162	33.2
111.08099	8.4
111.11712	1.8
113.87064	1.3
115.05447	1.8
117.07018	8.6
119.08592	50.5
121.09332	2.2
121.10149	28.0
123.08045	2.0
123.11723	9.0
128.06233	2.0
129.06973	5.3
131.08571	22.4
133.10138	31.6
135.11688	15.9
137.06017	8.7
137.09650	1.9
137.13266	3.8
141.07013	3.8
142.07811	2.7
143.08560	12.1
144.09303	1.8
145.09062	2.4
145.10135	33.5
147.11688	24.0
149.13263	16.9
151.11218	2.6
155.08566	3.9
156.09380	3.1
156.64572	1.5
157.10138	21.6
159.11699	37.0
161.13263	21.6
163.14822	10.1
169.10172	6.7
170.10870	1.6
171.11726	14.0
173.13272	24.5
175.14856	16.0
177.16406	9.9
179.14307	1.7
181.10184	3.5
183.11729	6.5
184.12373	1.6
185.13257	13.4
187.14809	22.1
189.16402	20.6
191.17953	4.9
193.15881	1.9
195.11754	2.0
197.13237	6.2
199.14864	12.5
201.16389	27.9
203.17924	12.8
205.15839	3.5
209.13252	2.8
211.14848	5.9
213.16391	16.6
215.17949	20.7
217.15916	2.7
217.19551	5.3
219.17397	2.7
223.14832	2.9
225.16402	5.9
227.17944	8.5
229.19513	5.7
231.17494	2.7
237.16405	3.1
239.17947	4.5
241.19603	4.6
243.21086	2.5
245.19090	2.4
251.18054	1.6
253.19498	6.3
255.21112	4.6
256.50241	1.4
257.22662	1.6
259.20468	1.7
265.19547	3.6
267.21118	7.0
269.18936	1.7
269.22714	3.5
271.20486	1.6
279.21082	2.8
281.22632	4.0
283.20612	1.7
291.21075	2.3
293.22675	2.3
295.24081	1.9
307.24200	2.3
311.23718	3.3
347.27274	2.2
363.30371	6.8
369.42279	1.6
403.33575	18.7
405.29623	1.5
421.15015	6.0
421.34662	100.0
422.34912	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3678
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
54.55910	1.6
55.01879	3.9
55.05514	13.2
57.07073	8.5
65.80637	1.7
67.05511	24.7
69.03440	1.8
69.07082	24.5
71.08643	6.3
71.25505	3.0
79.05518	6.4
81.07057	14.6
81.38727	1.9
83.08631	11.3
85.10204	3.2
86.09718	2.0
86.14638	2.0
89.06031	6.7
91.05477	12.0
93.07052	60.0
95.04994	1.9
95.08609	37.9
97.06550	3.0
97.10188	5.3
105.04565	1.8
105.07052	6.4
107.08597	11.6
109.06532	3.8
109.10166	7.7
111.08101	24.5
119.08627	5.1
121.05259	1.8
121.06541	4.3
121.10173	7.3
123.11710	5.1
124.95619	1.7
125.09637	3.6
127.07596	3.6
131.08598	4.4
132.17284	1.7
133.08609	3.9
133.10205	5.1
135.11708	5.0
139.07552	30.5
145.10155	4.2
147.11653	3.2
149.13283	2.3
151.11229	2.3
153.09093	16.3
157.08685	3.0
157.10185	2.8
159.11789	3.6
161.13242	2.4
163.11263	1.9
167.10693	10.4
171.11752	2.4
173.13330	2.6
175.14938	2.6
181.12311	7.4
193.12349	2.4
195.13936	6.1
201.16528	3.1
207.13881	2.9
209.15544	4.3
213.16402	3.0
217.16101	2.2
223.17146	1.7
234.55937	1.6
251.20084	2.3
286.47690	2.3
329.93954	1.8
403.35809	37.6
421.36880	100.0
422.37402	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	421.3678
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03940	4.1
55.05518	42.1
56.46805	2.6
57.03436	3.9
57.07076	15.1
67.05177	5.7
67.05511	67.8
68.58384	2.9
69.03440	4.5
69.07076	49.4
69.63691	2.9
71.04979	3.2
71.08634	10.4
71.27449	6.1
71.46008	3.0
79.05495	25.6
81.07063	92.1
83.05005	3.9
83.08622	22.5
85.10187	4.8
89.06048	10.6
89.37027	2.7
91.05489	26.1
93.07053	70.2
95.04980	4.6
95.08613	75.1
95.09174	5.2
97.06534	4.0
97.10169	19.3
105.04534	3.6
105.07054	19.9
107.08605	24.5
109.06621	3.3
109.10170	27.6
111.08085	24.5
111.11758	9.5
117.07034	4.7
119.08577	18.7
121.06509	2.8
121.10175	17.6
123.08142	4.0
123.11713	21.1
125.05965	6.9
125.09650	5.7
127.07620	4.8
131.08601	12.1
133.08646	3.6
133.10165	10.4
135.08064	3.8
135.11664	14.8
137.09628	3.5
137.13260	4.5
139.07559	23.8
139.11218	3.5
141.12807	3.9
143.08597	5.1
145.10175	9.1
147.11723	15.5
149.13300	8.6
151.14908	3.9
153.09125	13.3
157.10141	4.6
159.11766	10.2
161.13379	7.7
163.14946	3.7
167.10738	10.0
171.11752	6.5
173.13400	5.8
175.14926	9.4
181.12344	9.4
181.16052	3.2
185.13330	4.3
187.14958	4.8
195.13889	5.0
201.16478	3.7
207.13750	3.5
213.16507	3.9
227.18004	6.6
245.22803	10.7
263.23642	15.6
374.69998	3.4
403.35947	31.3
421.25964	3.6
421.36908	100.0
422.37433	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	421.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01869	8.0
55.05511	8.3
57.02378	0.6
57.07082	12.3
57.08674	0.6
61.65364	0.6
64.72729	0.8
67.05508	3.9
69.06732	1.1
69.07075	15.1
69.86018	2.2
69.86432	1.3
71.08636	9.1
79.05492	7.3
81.07062	36.9
81.92020	0.6
83.04971	2.9
83.08622	9.0
85.10183	5.2
87.74091	0.6
89.06026	1.4
91.05480	2.2
93.07033	4.7
95.08614	9.8
97.06523	2.6
97.10175	6.3
99.04454	3.2
105.07052	3.7
107.08614	3.7
109.02148	0.7
109.06522	15.3
109.10174	5.1
111.04453	2.8
111.08077	1.4
111.11753	4.5
119.08588	4.2
121.10155	3.8
123.08065	1.7
123.11715	2.3
125.06007	22.5
125.13271	1.5
126.06348	1.4
127.03941	0.8
130.15900	1.1
131.08543	1.4
131.16196	0.8
133.08621	1.0
133.10103	3.3
135.08064	1.7
135.11714	2.7
137.05986	100.0
137.13237	1.7
138.06364	1.3
139.07533	0.8
145.10123	1.8
147.11697	2.6
149.09621	1.9
149.13246	2.1
151.07547	1.7
153.05470	1.9
154.05768	1.2
155.01004	1.1
155.06084	0.7
155.07068	6.4
157.10155	1.5
159.11676	3.0
161.09604	3.2
161.13274	6.7
163.11313	0.7
163.14816	1.3
165.09105	1.2
165.12810	1.0
171.11661	0.7
173.13327	1.6
175.11217	2.6
175.14848	1.9
177.00487	0.6
177.12769	2.3
179.10733	1.0
179.14342	1.0
181.12268	1.1
185.13248	0.8
187.14862	1.0
189.12798	3.1
189.16408	1.1
191.14322	0.9
193.12378	3.2
195.13846	1.9
202.28535	0.7
203.14268	1.1
203.17949	0.9
207.13783	3.5
213.16393	0.6
217.15840	0.8
217.19218	0.7
221.15385	1.8
231.17638	0.8
235.17137	0.8
241.19640	0.6
245.18927	0.8
249.18555	1.3
259.20694	0.9
263.20114	2.0
277.21649	1.5
287.23550	0.8
287.36987	0.7
291.23386	0.8
302.78937	0.6
305.24841	1.2
319.26395	0.9
341.26749	0.8
357.35431	0.9
375.36264	1.4
379.35544	0.8
385.34808	2.3
403.35873	4.5
421.35812	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	421.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.6
53.52686	1.0
55.01876	10.1
55.05507	7.8
56.16393	1.1
57.07083	14.1
60.10600	1.1
67.05498	4.3
69.07076	15.8
70.69051	2.2
70.69378	1.5
71.08646	9.7
79.05515	7.1
81.07066	41.1
83.04959	2.3
83.08626	10.3
85.10175	4.9
91.05491	2.9
93.07042	4.8
95.01431	1.0
95.08620	8.1
97.06535	3.3
97.10165	6.7
98.65915	1.1
99.04462	1.3
99.11761	1.2
105.07037	3.5
107.08609	5.0
107.93705	1.1
109.06522	13.7
109.10185	5.4
111.04446	2.4
111.08054	1.3
111.11726	3.2
119.08566	3.3
121.10162	3.3
123.08109	3.1
123.11681	3.5
125.06008	24.0
125.13298	1.8
130.15889	2.6
131.16261	1.6
133.10136	3.9
135.08086	2.2
135.11696	3.1
137.05995	100.0
137.13321	1.5
138.06342	1.6
139.07571	1.4
139.14902	1.7
145.10118	1.6
145.57005	1.2
147.11713	1.4
149.09622	2.1
149.13306	2.2
151.07477	2.7
155.07030	4.9
159.11681	2.2
161.09589	2.7
161.13293	5.9
165.09100	1.2
171.11703	1.8
175.11182	4.2
175.14841	1.5
177.12781	2.4
179.10506	1.3
189.12776	1.7
193.12265	4.2
199.14975	1.4
207.13783	1.9
221.15309	1.4
235.16811	1.6
263.20126	1.2
277.21597	2.0
319.26242	1.2
341.26740	1.2
368.01068	1.2
385.34689	3.0
403.35748	2.1
421.36041	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	422.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.2
56.96566	50.8
57.03434	14.8
58.13227	2.9
60.06633	3.0
61.02933	38.8
69.03433	41.5
69.44812	14.0
69.45217	6.5
70.06599	5.0
70.98129	9.6
71.01386	3.6
71.05000	5.8
72.93785	5.2
72.96062	3.6
73.02917	22.5
81.03440	14.5
84.04487	3.6
84.08147	10.3
84.96050	7.6
85.02908	82.0
86.03225	3.7
87.04468	8.0
87.35330	2.5
88.99173	5.9
90.94800	3.3
91.03941	5.7
97.02904	34.6
98.20766	5.3
98.97588	96.5
99.04454	7.5
99.97942	4.0
101.00838	12.7
107.04971	9.8
109.02885	11.3
110.01289	5.2
110.97579	22.1
112.99115	5.1
115.02446	2.7
116.98611	26.0
119.01836	27.1
119.04979	5.3
120.02033	5.3
120.08083	4.4
124.95502	13.8
127.03935	36.0
128.02348	20.7
128.98618	31.8
131.00194	4.6
131.01881	7.5
132.00775	4.7
132.95859	8.5
133.03499	3.8
134.99721	3.4
137.01826	3.2
137.02925	3.2
138.00763	4.7
139.01552	4.6
140.98601	7.1
142.96500	5.9
143.00146	3.8
143.01898	8.2
145.04990	18.7
146.02222	4.3
146.99669	23.3
147.04398	17.4
147.84412	3.3
148.02081	7.8
152.94974	6.3
153.01263	10.1
155.00160	5.9
155.01733	3.9
156.98114	6.2
158.97377	4.0
158.99632	18.1
160.02060	3.9
161.01256	6.3
161.02940	9.4
162.01814	5.5
165.00737	10.3
166.01141	3.8
168.01837	8.3
169.02695	8.1
170.96027	10.2
170.99660	13.1
171.01053	3.7
172.97575	7.9
172.99034	3.9
173.01218	6.5
173.02957	5.6
174.01784	7.2
174.99146	12.2
177.00728	13.9
178.03123	3.3
181.01877	4.7
182.99707	4.8
183.02335	12.5
184.03082	8.8
184.97588	11.7
185.02882	3.7
186.00903	3.9
186.99142	13.8
188.97038	16.9
189.00700	23.5
190.02844	3.1
190.98682	10.2
191.03923	12.7
193.00247	6.3
198.99246	5.8
199.00961	6.0
200.04404	5.5
201.00687	16.0
202.98619	11.5
204.02892	27.3
205.00261	18.6
206.98207	9.3
207.01830	6.1
211.03557	9.9
212.96964	4.3
213.03406	100.0
213.53580	11.0
214.98679	7.5
215.00459	3.8
217.00206	9.7
219.01772	21.4
220.04161	54.4
220.06085	5.9
220.54269	5.6
220.99719	8.5
222.03886	28.9
223.01332	7.0
223.05675	3.4
229.04698	61.1
229.06697	7.1
229.54988	8.0
230.98276	16.9
232.03445	4.7
232.99811	4.2
235.01285	6.6
237.02850	9.1
243.01851	4.7
244.99809	10.5
247.01228	9.8
248.99191	4.0
250.05847	3.3
251.01062	5.6
260.99008	3.8
261.02893	9.8
263.00839	14.7
264.04922	7.4
275.00845	6.7
277.02304	6.7
279.03836	4.8
281.01871	6.2
285.05554	4.2
294.06030	47.1
294.56223	9.2
295.06812	4.8
297.37344	3.3
301.06851	5.8
303.00381	8.5
305.01749	7.4
310.07245	16.2
316.98276	3.8
321.01349	4.6
365.03900	8.8
422.12238	3.2
423.09058	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	422.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58646	1.4
52.75865	1.5
58.64829	2.0
64.14020	1.4
69.03416	1.8
69.07043	1.7
70.06604	7.2
72.08176	1.9
79.05522	1.4
81.03400	1.6
84.08144	2.3
85.02897	5.4
85.82535	1.4
86.09695	3.3
93.07047	2.1
95.04966	1.8
95.08626	3.0
103.25827	1.5
105.07012	1.9
107.04950	2.9
107.08585	3.1
111.00555	1.4
119.08577	1.7
121.10135	2.3
121.52279	1.4
126.05525	1.6
133.10146	1.8
137.05963	4.1
138.06303	2.6
145.09999	1.8
147.11702	1.6
149.13289	1.8
165.07010	3.2
181.06540	2.0
182.07243	1.9
183.08081	4.6
197.09583	4.3
200.08244	2.0
210.06789	3.5
211.07520	11.0
212.08385	8.1
215.10699	3.4
217.72504	1.5
225.09114	5.3
228.07773	6.2
243.10165	100.0
244.10553	3.5
391.14905	2.7
422.34613	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	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49802	1.3
55.05493	1.5
61.02933	2.5
69.03432	2.7
70.06593	16.5
71.04979	1.3
72.08160	3.6
74.06088	1.7
79.05514	1.4
81.03422	2.2
84.08134	7.6
85.02902	11.8
86.09718	7.2
91.05469	3.2
97.02891	5.1
105.07045	1.8
107.04961	3.9
109.02901	1.8
110.07180	2.8
110.94695	1.4
120.08121	3.7
121.06532	2.0
127.03931	2.8
129.10266	3.0
133.06520	2.0
135.08072	3.1
136.05150	1.4
137.05977	4.8
137.86104	1.4
138.06630	1.4
145.04996	2.2
147.08115	1.4
150.06729	3.2
151.03952	2.2
151.07555	29.4
151.08627	1.0
153.05476	3.8
154.67308	1.4
161.05946	1.3
162.06834	6.7
165.05377	1.4
165.09149	11.7
167.07047	27.8
168.07791	8.7
176.08351	2.5
178.09872	1.8
181.08588	12.9
182.09424	1.4
188.03795	1.5
192.07838	3.0
193.08600	13.6
194.09401	5.4
205.39912	1.4
207.10103	2.2
209.11710	20.6
210.08894	12.2
218.67827	1.3
225.11226	100.0
226.11600	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56923	0.4
53.99057	0.4
56.05045	3.3
64.32217	0.5
65.66413	0.4
69.92785	2.1
69.93184	0.9
70.06596	1.3
74.06091	8.7
74.29303	0.5
81.07068	0.7
84.46784	0.4
86.09713	100.0
87.10044	0.8
91.05481	2.0
92.82919	0.5
93.07045	0.7
95.05013	0.8
95.08607	0.9
98.06080	1.6
98.20998	0.9
103.05493	1.1
105.07050	1.0
107.08575	0.7
116.07121	1.0
120.08112	13.4
123.39393	0.5
126.05529	6.0
137.05984	0.6
139.12294	1.0
144.06635	0.7
166.08664	5.5
195.11243	2.9
211.14525	1.0
233.16576	0.5
239.13933	10.1
243.10266	0.8
247.07513	0.6
260.10098	0.5
279.17050	7.8
330.58530	0.5
360.19431	0.9
367.71402	0.5
423.14249	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01869	2.7
55.58329	0.9
57.03415	0.9
59.92485	0.9
61.02927	2.1
65.03919	1.0
67.05502	0.9
68.55626	0.8
68.99810	4.8
69.03433	1.1
70.06602	4.1
70.32750	2.7
72.08164	2.0
81.03416	2.1
83.05003	1.4
84.04504	1.4
84.08147	9.8
85.02908	4.9
86.09701	1.2
88.55392	0.8
89.06047	1.0
91.05473	2.5
92.28476	0.8
95.04990	2.8
97.02892	3.2
99.04473	1.1
107.04961	100.0
108.05261	1.5
109.02897	1.9
111.00796	1.9
111.04462	1.3
113.09430	0.8
115.05492	1.0
119.04939	6.5
120.08099	4.2
121.02857	6.4
121.06512	1.9
123.04439	9.5
127.03938	3.1
127.40193	0.9
129.10222	6.9
131.04916	2.0
133.06532	1.3
135.04416	2.3
136.07590	2.3
137.02327	2.1
137.05992	2.1
139.03918	13.2
145.06544	2.2
147.04413	7.7
149.02359	3.1
149.05978	1.5
151.03897	11.3
153.01877	1.0
153.05446	3.1
157.06503	2.6
159.04398	1.1
161.06003	2.3
163.03923	9.6
165.01863	5.3
165.05534	2.9
166.08728	0.9
167.03419	2.3
170.09697	0.8
171.04445	1.5
171.08127	1.0
173.06007	1.1
175.04085	1.3
177.05515	5.1
179.03413	5.4
181.05038	5.5
183.08093	1.3
185.05963	1.7
187.07596	1.1
187.93495	0.8
189.05453	4.5
191.03423	7.9
193.05002	3.7
195.02856	1.1
195.08060	1.0
197.06029	1.4
201.05499	1.2
203.03494	1.1
205.04933	5.0
209.04428	2.9
211.07651	0.9
213.05260	1.1
215.03365	1.1
215.07014	2.3
217.04910	7.1
221.04417	1.9
227.07027	1.5
229.04953	2.0
233.04361	4.4
235.05959	5.7
239.07104	1.1
241.08630	1.2
243.06548	2.8
245.04530	2.6
245.08051	1.2
251.05380	1.8
255.06514	25.4
256.06924	0.9
257.04477	1.0
257.08102	3.2
263.05438	6.8
267.06580	2.1
269.08438	8.7
273.07608	4.8
275.05392	1.5
281.06720	2.8
283.06082	0.9
285.03720	1.3
285.07620	1.4
295.06113	2.0
297.07635	3.8
309.07681	4.4
323.09012	1.3
327.08603	5.0
339.08609	2.1
351.08783	4.6
369.09714	9.3
387.10794	10.0
405.11880	1.6
423.07452	1.5
423.25931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.3
53.03948	1.6
55.05511	1.1
57.07061	0.5
64.94114	0.3
67.05499	2.5
69.03429	1.8
69.07069	1.5
69.96983	1.1
70.06602	0.6
77.03912	0.7
79.05488	1.1
81.03413	1.3
81.07052	2.5
83.08627	0.8
85.06541	0.4
91.04972	0.3
91.05451	1.6
93.07018	1.8
95.04974	1.4
95.08616	3.7
97.02896	1.8
97.10164	0.3
99.04440	0.7
99.20339	0.3
100.37014	0.3
102.04716	0.3
102.09152	0.3
103.05468	43.3
104.05846	0.4
105.04563	0.4
105.07002	1.9
107.08593	2.7
109.02879	1.4
109.10167	2.5
111.08139	0.3
117.03361	0.5
117.07022	0.7
119.08578	2.2
121.10159	2.2
123.11699	1.0
125.09570	0.3
127.03941	2.8
131.04930	100.0
131.08531	1.1
132.05247	1.1
133.10109	1.6
135.11682	1.3
137.13193	0.4
143.08656	0.5
145.02826	1.2
145.10115	1.4
147.11700	1.6
149.02377	1.5
149.05978	2.3
149.13240	0.9
150.02667	0.4
157.10107	0.9
159.11679	1.1
161.13278	1.2
163.14833	0.5
171.11853	0.5
173.13266	1.0
175.14810	0.9
177.05470	1.5
183.11699	0.8
185.13280	0.7
187.14841	1.1
189.16420	0.6
191.17883	0.5
193.04916	1.7
194.05289	0.9
199.14861	0.4
201.16357	0.5
203.17912	0.3
213.16338	0.6
215.17943	0.7
217.19572	0.5
227.18051	0.4
239.17868	0.4
256.26266	0.7
257.26617	0.5
263.11777	0.4
275.09116	1.1
331.26208	0.6
405.35257	0.5
422.28598	0.5
423.29520	1.6
423.36081	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	423.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07929	0.6
53.03942	2.0
55.01889	1.3
55.05511	4.5
57.03425	1.0
57.07069	0.5
60.07117	0.5
67.05178	0.9
67.05507	10.6
69.03436	5.2
69.07069	4.1
70.10484	2.5
71.04973	1.0
73.00778	0.5
77.03917	0.7
79.05120	0.7
79.05508	6.5
81.03429	4.1
81.07055	10.8
81.60136	0.7
82.78753	0.5
83.05023	1.1
83.08623	2.0
85.02888	2.2
85.06557	0.8
91.05481	5.6
93.07047	8.8
95.04964	2.3
95.08601	8.9
97.02924	3.3
97.06545	1.2
99.04431	0.8
99.08105	0.9
102.04674	0.6
103.05471	41.8
104.00611	0.6
105.04511	0.6
105.07026	5.6
107.04934	0.6
107.08607	6.6
109.02895	1.2
109.06516	1.8
109.10170	5.5
111.04462	0.8
111.08085	0.9
115.41590	0.7
117.07020	1.7
119.08590	4.5
121.06532	1.0
121.10175	4.6
123.08067	1.6
123.11718	1.9
127.03922	1.7
129.06998	1.2
131.04933	100.0
131.08594	3.9
132.05194	0.7
133.10117	4.6
135.08066	1.1
135.11697	2.9
143.08560	1.2
145.10152	3.9
147.11719	3.8
149.05992	3.1
149.13312	2.9
157.10176	1.3
159.08147	0.6
159.11739	2.6
161.09656	0.6
161.13283	2.4
163.11234	0.6
163.14743	0.6
171.11673	1.1
173.13290	2.5
175.14822	1.5
177.05582	0.6
177.12801	0.7
179.14305	1.0
183.11708	0.8
185.09610	0.6
185.13286	1.1
187.14833	1.6
189.16386	0.7
199.14842	0.7
201.12675	0.6
201.16473	1.0
203.17886	0.6
213.16420	0.7
214.60706	0.5
215.14337	0.6
215.18147	0.7
229.19658	0.6
259.20624	1.3
261.22232	2.7
285.22394	0.8
301.21750	0.9
303.23199	0.9
331.26285	0.6
369.24304	1.1
387.25323	1.8
405.26355	2.3
405.35175	0.6
415.18228	0.6
423.26773	2.6
423.36310	2.1
443.43796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.7
51.48433	0.3
53.03950	1.7
55.01876	0.4
55.05516	0.6
56.47529	0.3
57.07083	0.5
63.16894	0.3
67.05509	1.9
69.03449	1.3
69.07066	1.0
71.04973	0.3
71.11804	0.4
71.12126	0.3
74.80125	0.3
76.50916	0.3
77.03928	0.6
79.05493	1.4
80.90794	0.3
81.03421	1.0
81.07056	2.1
83.08636	0.5
91.05483	1.2
93.07072	1.5
95.04977	1.0
95.08611	1.7
97.02911	1.9
97.06561	0.4
103.05474	42.6
104.05811	0.3
105.04544	0.6
105.07053	1.3
107.04958	0.4
107.08621	1.4
109.02882	0.7
109.06538	1.2
109.10170	1.6
111.42181	0.2
119.08588	1.3
119.40814	0.3
121.10143	1.0
122.37718	0.3
123.08083	2.5
123.11653	0.3
127.03946	0.9
131.04938	100.0
132.05286	0.8
133.10144	1.0
135.08047	0.7
135.11674	0.3
137.13194	0.3
143.08539	0.4
145.06505	0.3
145.10167	0.9
147.11707	0.9
149.05969	2.4
149.13243	0.5
157.10100	0.4
159.11743	1.0
161.13318	0.3
173.11900	0.3
173.13264	0.6
175.14777	0.3
179.14319	5.7
205.15889	0.5
209.09567	0.6
209.13232	0.3
209.18571	0.3
215.07079	0.3
275.09088	0.6
331.26395	2.2
349.27676	0.6
423.26105	0.4
423.31189	6.4
423.35959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1654
Annotation	15-Hydroxyhypocretenolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	5.1
57.03424	1.2
61.02921	1.7
69.03421	5.7
69.80186	3.8
70.06596	3.3
71.04999	1.2
72.08135	1.1
72.76289	0.6
73.02918	1.1
81.03413	1.7
84.08147	1.5
85.02905	8.9
86.09711	1.6
86.74735	0.7
91.05457	0.9
92.82424	0.7
97.02911	4.3
98.20856	0.9
99.04453	1.2
101.19626	0.7
105.07018	1.2
109.02858	2.1
120.08117	1.6
121.06548	1.0
123.04327	0.7
127.03883	1.0
129.10280	1.3
137.05995	2.6
144.05757	1.2
145.04967	0.9
153.06982	0.7
155.08626	1.4
157.06488	2.0
158.07300	1.1
159.08058	1.2
161.05995	9.2
161.09648	1.2
168.05734	1.0
172.08806	1.4
174.06749	2.0
175.07635	0.8
183.08084	0.9
184.08829	1.3
185.06064	1.7
187.07576	3.4
187.11235	0.9
187.59427	0.9
189.09122	1.3
191.10667	2.4
199.07619	1.5
200.08363	5.5
201.09076	0.9
205.12254	1.4
211.07588	6.7
212.08365	0.9
213.09122	0.8
215.10689	14.9
225.09274	1.7
228.07803	5.4
243.10185	100.0
244.10481	2.3
245.11795	0.9
246.08954	1.7
255.25906	0.8
261.11255	10.0
314.79120	0.7
358.98431	1.5
372.96448	1.3
382.00259	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99013	0.6
53.03940	0.9
55.05507	2.5
57.07068	1.4
64.32422	0.5
65.03942	1.0
67.05510	8.0
69.07075	3.5
70.06584	2.3
71.05009	0.8
71.06933	0.6
71.08615	0.8
71.51394	0.5
79.05487	3.7
81.03416	0.8
81.07059	7.5
83.08618	1.2
84.70168	0.5
85.02887	0.7
88.07626	2.4
89.22959	0.5
91.05498	5.2
93.07054	6.4
95.04963	1.0
95.08614	6.5
97.06530	0.8
97.10159	0.8
99.04433	1.1
100.11543	0.5
102.09200	1.3
103.05488	1.2
105.07040	4.3
107.05014	0.7
107.08622	4.2
109.02896	1.3
109.06506	1.8
109.10163	6.5
110.08016	0.5
111.08108	0.7
117.03363	0.8
117.07021	2.0
119.08588	4.7
121.10156	3.7
123.08095	1.3
123.11720	2.2
127.03928	2.3
127.11198	0.6
129.07062	0.7
131.04936	1.6
131.08571	3.0
133.06488	0.6
133.10132	3.1
135.08081	1.0
135.11707	3.2
139.91504	0.6
141.06975	0.6
143.08571	1.2
145.02876	1.6
145.10175	2.7
147.11617	2.5
149.02357	7.8
149.03487	0.9
149.09660	0.6
149.13277	2.1
150.02667	3.8
157.10164	1.5
159.11668	2.8
161.13268	1.2
163.11255	0.7
163.14839	0.9
165.12732	0.6
171.04424	0.7
171.11736	1.0
173.13318	1.9
173.69966	0.5
175.14842	1.7
177.05501	1.6
177.16313	0.5
179.14323	1.4
183.11685	0.6
185.13293	1.1
187.14848	1.4
189.12799	0.6
189.16478	1.7
191.17874	0.7
193.04962	7.0
194.05316	4.7
197.13301	0.7
199.14986	0.8
201.16444	1.0
203.18042	0.6
211.14830	0.5
213.16353	1.3
215.17967	1.2
227.18045	1.2
255.21080	0.7
256.26428	2.1
257.26761	4.7
331.22708	0.7
349.19861	1.0
405.35446	1.3
423.23602	100.0
423.29355	13.2
423.36145	5.5
424.23962	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.6
54.37040	3.5
55.01857	5.5
55.05508	28.2
58.54060	4.1
64.26798	4.4
64.72712	4.5
67.05506	96.4
69.03439	36.2
69.07059	28.9
69.41892	19.7
69.42329	12.5
71.04981	6.9
77.08521	3.7
79.05497	56.8
81.03053	4.0
81.03424	40.1
81.06593	7.5
81.07059	100.0
83.04975	11.3
83.08635	9.9
84.97290	4.1
85.02895	12.4
91.05479	53.6
93.07051	76.3
94.68156	4.3
95.04948	8.3
95.08060	6.7
95.08614	74.5
96.75346	4.1
97.02878	9.5
97.06532	6.6
99.04441	10.8
105.07041	45.3
105.23347	3.9
107.04953	5.8
107.08601	47.5
109.02885	6.6
109.06512	11.3
109.10160	41.9
111.04422	6.9
111.08050	4.3
115.05402	5.1
117.07005	17.7
119.08579	41.6
121.06493	8.3
121.10149	36.8
123.08051	7.9
123.11684	17.0
125.09573	5.3
127.03903	9.2
129.06992	9.6
131.04913	11.0
131.08557	33.8
133.06483	4.6
133.10150	36.4
135.08029	9.9
135.11710	23.9
137.13219	3.9
143.08493	9.7
145.10124	22.1
147.11673	25.5
149.02345	4.5
149.09633	6.9
149.13269	20.4
155.08577	5.6
157.10075	9.4
159.11703	26.1
161.13257	16.8
163.14761	6.1
169.10135	4.9
171.11658	8.3
173.09607	4.4
173.11786	8.0
173.13260	18.3
175.11156	5.1
175.14856	4.7
179.14372	5.5
185.13188	4.7
187.14821	7.1
197.13225	5.6
199.14746	6.1
222.08488	4.2
243.21185	6.6
259.20670	10.1
261.22232	25.7
277.21698	9.3
283.20419	4.4
303.23157	7.0
331.26282	5.3
369.24234	15.6
387.25345	8.4
405.26367	17.4
423.27179	31.3
423.35974	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08915	1.9
53.03943	7.0
55.01867	5.9
55.05515	23.8
57.03439	5.2
57.07064	7.1
59.05003	3.8
65.03941	4.6
67.05508	74.6
69.03442	16.2
69.07072	26.2
70.82827	1.7
71.01340	3.7
71.04993	6.3
71.08627	2.2
71.47924	2.9
79.05496	61.0
81.03415	11.4
81.07061	100.0
83.04977	5.7
83.08621	13.4
85.02911	16.1
85.06537	2.4
91.05488	52.5
93.07051	79.9
95.04969	7.5
95.08610	87.5
97.02901	24.6
97.06537	7.7
97.10178	6.4
99.04459	9.9
99.08089	2.4
103.05458	6.3
105.07041	52.9
107.04945	4.2
107.08604	59.8
109.02940	3.7
109.06509	4.2
109.10163	47.3
111.04436	4.4
111.08093	4.3
112.64084	1.8
115.05450	2.8
117.07015	14.4
119.08590	49.7
121.06468	4.1
121.10148	50.0
123.08069	9.1
123.11712	16.1
125.09637	3.6
127.03944	15.3
129.07014	7.7
130.07707	1.8
131.04950	12.4
131.08585	30.5
133.06522	1.9
133.10135	31.3
135.08081	5.0
135.11702	36.4
137.09607	2.7
137.13264	6.4
141.07005	4.5
143.08566	9.8
145.04987	3.1
145.06471	3.2
145.10123	31.6
147.08075	4.2
147.11697	28.3
149.09616	3.8
149.13280	25.7
151.07625	4.2
151.11237	2.9
151.14824	3.3
155.08530	2.2
157.10149	7.5
159.11722	30.0
161.13274	24.2
163.11194	2.8
163.14810	15.2
169.10062	3.7
171.11705	10.1
173.09628	2.9
173.13283	17.6
175.14851	14.7
177.12752	3.3
177.16383	6.8
179.14276	9.2
183.11687	3.8
185.09720	2.2
185.13264	5.4
187.11131	2.4
187.14830	10.0
189.16391	12.6
191.17924	10.1
197.13322	4.5
199.14798	8.2
201.16373	15.3
203.18016	8.0
213.16400	6.1
215.17990	11.3
217.15968	2.4
217.19475	4.5
219.17419	3.2
227.17992	2.7
231.21095	2.2
241.19540	2.7
243.21111	9.5
259.20569	11.2
261.22189	25.8
269.22568	2.6
273.22107	2.2
277.21667	3.2
279.23199	4.6
285.22137	2.8
290.24268	1.9
301.21548	2.0
303.23172	5.6
307.33713	2.0
331.26340	6.4
339.23444	2.1
345.24329	5.1
351.23267	3.3
357.24252	5.1
369.24271	9.1
387.25412	8.2
405.26541	4.5
405.35120	4.6
423.31030	12.2
423.36191	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.0
55.01865	10.3
55.05513	29.7
57.03446	6.6
65.03940	7.6
67.05513	93.3
69.03431	38.9
69.07076	32.8
70.48802	3.7
71.04987	10.5
71.51333	6.4
73.02926	5.5
75.01928	3.6
76.11183	3.8
79.05501	75.9
81.03429	41.8
81.07066	100.0
81.07537	8.8
83.04986	7.8
83.08625	12.8
85.02910	16.9
85.06567	5.7
88.72636	3.3
91.05486	60.4
93.07056	82.1
95.04977	15.1
95.08612	70.5
97.02891	20.9
97.06513	8.9
97.10178	7.1
99.04485	12.4
105.07044	45.3
107.04978	7.6
107.08606	51.0
109.02876	10.9
109.06509	9.6
109.10161	36.5
110.74776	3.3
111.04435	10.6
111.08142	4.0
115.05433	4.3
117.07029	27.2
119.08601	42.8
121.10169	45.4
123.08103	15.0
123.11738	7.6
125.09671	3.7
127.03870	4.5
127.77523	3.4
128.06236	4.7
129.05518	5.4
129.07004	13.0
131.04970	5.6
131.08574	41.3
133.06505	8.4
133.10149	28.5
135.08041	9.1
135.11725	28.0
137.09637	7.3
137.13309	6.0
141.07005	5.2
143.08595	17.5
145.06503	4.7
145.10114	26.9
147.08083	6.2
147.11720	26.0
149.09636	5.9
149.13275	16.8
153.09138	6.8
155.08612	6.3
157.06482	6.0
157.10115	8.8
159.11755	27.4
161.09689	6.1
161.13283	15.1
163.11201	4.8
163.14905	8.3
169.10074	5.3
171.11734	12.0
173.13231	18.8
174.24069	4.4
175.11232	4.7
175.14879	10.6
181.10246	5.1
183.11700	5.9
185.13333	6.5
187.14822	12.5
189.12810	4.0
199.11188	5.6
199.14890	10.8
211.14847	3.9
213.16472	4.1
241.19534	5.0
243.21094	7.7
259.20624	13.8
261.22125	33.8
273.22287	6.7
277.21732	4.2
279.23209	5.2
289.21698	8.5
291.23410	4.7
301.21613	5.0
303.23187	15.5
315.23444	5.3
331.26453	7.3
341.24802	9.5
345.24405	8.3
351.23273	9.9
359.25357	5.9
369.24374	21.5
387.25348	24.4
405.26511	22.2
423.26523	18.7
423.31973	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	423.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19136	2.0
53.03933	9.1
55.01880	10.0
55.05515	34.2
57.03425	6.0
57.07065	4.0
63.94584	1.8
65.03932	3.6
67.05508	97.2
69.03085	2.9
69.03433	37.0
69.07068	32.2
70.21902	8.4
71.01345	2.8
71.04978	8.8
72.24373	2.0
73.02899	2.3
77.03901	3.0
79.05019	2.4
79.05495	71.9
81.03425	39.9
81.07061	100.0
83.04987	16.0
83.08635	13.4
85.02892	15.7
91.05485	70.2
93.07047	88.7
93.07639	4.3
95.04980	13.0
95.08610	83.4
97.02888	12.2
97.06536	8.7
97.10155	7.2
99.04456	10.7
99.08081	5.6
103.03927	4.0
103.05447	2.5
105.04485	2.4
105.06316	2.6
105.07033	53.7
107.04947	8.9
107.08599	56.7
109.02855	6.9
109.06502	8.1
109.10162	37.1
111.04433	8.3
111.08064	6.4
115.05441	3.2
117.07023	26.5
119.04902	2.5
119.08589	60.1
121.06499	10.4
121.09325	3.4
121.10146	43.6
123.04422	3.7
123.08077	7.6
123.11681	14.3
125.05994	2.7
125.09595	3.9
127.03927	6.8
128.06227	4.3
129.05484	7.4
129.06992	16.6
131.04912	2.8
131.08583	35.5
133.06488	5.4
133.10146	43.6
135.08043	4.8
135.11708	26.1
137.09601	5.1
137.13271	5.2
139.11176	2.5
141.06975	4.9
142.07802	3.4
143.08577	14.2
144.09264	2.7
145.06506	4.0
145.10124	34.7
147.08015	6.5
147.11685	34.5
149.09610	5.4
149.13286	19.3
151.07544	3.3
155.08583	10.0
157.06557	2.9
157.10126	14.5
159.08076	4.4
159.11690	29.3
161.09532	3.1
161.13268	24.1
163.11192	5.3
163.14828	9.2
167.08545	3.9
169.10107	7.2
171.08006	3.1
171.11658	11.9
173.13275	20.7
175.11127	2.4
175.14856	8.1
177.12749	4.9
177.16360	5.0
179.14305	7.2
183.11655	5.1
185.09668	4.5
185.13295	11.5
187.11118	4.3
187.14801	12.4
189.12753	4.9
189.16371	5.7
195.11746	3.4
197.13176	5.7
199.14874	10.8
201.16368	4.9
203.17848	4.7
209.13341	3.6
209.15288	2.7
213.12866	3.5
213.16368	4.1
215.17960	4.2
217.19644	2.6
231.17439	4.1
231.21065	2.8
234.95299	2.5
241.19543	5.5
243.21082	6.1
249.14766	3.3
255.21066	3.1
259.20584	18.9
261.22153	28.0
273.22153	8.4
275.23709	4.4
277.21707	7.5
279.23209	2.9
285.22269	4.5
287.19958	2.3
289.21698	4.2
291.23126	6.4
301.21591	4.3
303.23245	18.8
313.21545	2.9
315.23038	4.5
317.24759	2.3
319.22571	2.5
327.23080	4.0
331.22577	2.6
333.46686	2.4
341.24625	5.4
345.24466	4.6
351.23053	7.6
357.23981	3.4
359.25870	2.6
363.25208	2.3
369.24307	24.3
387.25238	18.3
405.26328	29.0
423.26813	20.3
423.35867	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	15.3
55.01866	12.1
55.05513	33.2
57.03422	10.1
57.07070	7.9
65.03934	5.2
67.05511	88.0
69.03416	19.9
69.07074	31.9
69.12828	2.8
70.57052	8.9
71.05003	15.7
71.08616	6.1
73.02929	3.4
73.36217	2.8
79.05072	4.9
79.05500	75.6
81.03432	17.5
81.06596	5.4
81.07064	97.5
83.04976	3.3
83.08640	15.4
85.02911	7.6
85.06538	5.6
85.10181	3.3
87.08289	3.3
89.06035	11.8
91.04979	4.9
91.05490	54.9
93.07048	84.0
95.01300	6.1
95.04976	6.5
95.08612	83.7
97.02299	6.5
97.02901	100.0
97.06551	6.6
97.10164	6.0
98.80692	3.4
99.03861	3.8
99.04463	51.7
105.07053	41.0
107.08603	60.1
109.02863	14.2
109.06522	11.1
109.10168	41.8
111.08118	6.7
112.60559	2.8
117.07033	14.5
119.08592	37.6
121.10152	55.5
123.08092	24.1
123.11728	12.7
125.09628	5.6
127.03924	36.1
129.06949	5.7
131.08591	24.4
133.10104	26.0
135.08078	6.7
135.11710	30.0
139.11238	4.0
143.08636	5.4
145.04993	14.4
145.10136	24.5
147.11714	23.5
149.09610	4.5
149.13269	13.4
157.10092	7.4
159.11714	22.9
161.13248	16.9
161.91040	3.2
163.14810	10.9
171.11719	3.2
173.13289	16.1
175.14862	5.7
177.12737	3.3
177.16316	4.2
179.14325	29.1
183.11696	3.5
187.14815	9.5
191.17950	3.7
199.14882	4.6
201.16374	6.0
203.17984	5.9
215.17982	5.9
229.19643	3.6
243.21118	8.5
261.22177	28.8
331.26346	23.7
349.12741	4.9
405.35419	6.3
423.16360	6.1
423.31082	55.2
423.36316	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	423.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38480	4.7
53.03942	13.7
55.05515	18.6
57.03424	6.2
57.07076	5.4
65.03930	4.0
67.05507	70.3
69.03430	52.5
69.07073	34.3
69.36463	29.0
71.04993	5.0
76.51266	3.4
79.05499	46.9
81.03423	85.8
81.06592	5.9
81.07062	100.0
83.04969	8.0
83.08623	10.2
85.02908	10.1
91.05492	29.4
93.06490	4.1
93.07045	60.7
93.38387	3.3
95.04979	7.8
95.08620	67.4
97.02901	8.9
97.06554	3.9
97.10169	6.8
99.04453	13.9
105.07043	31.1
107.08591	42.6
109.02893	11.0
109.09478	3.9
109.10176	37.0
111.08113	3.1
117.07028	9.1
119.08588	28.2
121.06549	4.5
121.10162	33.0
122.55303	3.9
123.08063	5.8
123.11705	13.4
127.03918	7.2
131.08597	15.0
133.10138	15.4
135.08014	3.6
135.11714	20.9
137.09618	14.1
137.13249	3.9
139.11148	3.2
143.08603	4.2
145.10138	11.8
147.11662	14.8
149.09689	5.9
149.13272	20.3
151.07529	3.5
157.10066	4.5
159.11711	9.2
161.13258	10.0
163.09277	3.1
163.14824	10.6
165.09126	89.3
171.11723	6.7
173.13255	11.6
175.11208	3.9
175.14796	5.2
177.16373	5.6
179.10703	3.2
185.13400	6.3
187.14819	7.0
189.09030	3.6
189.12727	3.6
199.14799	4.0
201.16406	5.2
203.10544	5.0
203.17998	6.3
205.12282	12.4
243.21063	3.8
260.68808	3.8
261.22159	12.2
278.67673	3.2
293.50629	3.2
303.22974	6.0
369.24292	5.6
387.25287	7.2
405.26471	5.7
405.35144	9.5
411.61911	3.3
423.27020	5.3
423.31943	10.8
423.36969	23.3
424.33270	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83015	0.8
53.03938	1.2
55.01860	1.8
55.05515	5.8
57.03433	2.8
57.07063	3.1
67.05511	10.6
69.03432	1.2
69.07069	9.3
69.40472	7.1
71.04990	1.1
71.08633	1.9
79.05499	6.4
81.07059	16.0
83.04978	1.6
83.08635	4.3
85.06560	1.4
91.05471	4.8
93.07051	11.3
95.04952	1.2
95.08606	13.9
97.06545	2.2
97.10160	0.9
99.04472	1.2
99.08104	2.8
105.07046	6.0
107.08599	8.4
109.06527	13.8
109.10162	5.5
111.08099	1.4
119.08572	6.2
121.06528	1.3
121.10146	7.1
122.07242	1.2
123.08073	51.2
123.11681	2.5
124.08421	0.9
131.08595	1.9
133.10161	5.8
135.08075	9.7
135.11714	4.2
137.09637	3.2
137.13252	1.3
137.53523	0.8
141.49579	0.9
145.10129	3.2
147.11726	3.7
149.09689	2.4
149.13306	2.7
157.10207	1.4
159.11707	3.1
161.13234	2.0
163.14848	1.1
165.12782	1.1
173.13295	2.1
175.14824	1.6
177.12804	3.6
179.14310	36.3
179.15829	1.9
191.14362	1.0
193.15878	1.5
233.19022	1.7
256.33829	0.9
263.20065	1.7
275.20099	4.2
293.21173	3.0
303.26752	5.3
313.25439	1.0
331.26321	39.8
332.26440	1.4
349.27267	10.1
367.24789	2.1
405.29953	2.2
405.35046	1.0
423.31104	100.0
423.35391	3.8
424.31458	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48008	0.9
53.03945	1.2
55.01852	1.8
55.05509	8.8
57.03419	2.4
57.07071	4.0
67.05510	13.1
69.07072	14.6
69.24980	1.0
70.76958	2.3
71.04997	2.6
71.08636	1.2
79.05502	7.0
81.07054	19.1
83.05003	1.8
83.08628	5.3
83.80190	0.9
84.18074	0.8
85.06570	1.4
91.05480	7.0
93.07044	12.3
95.08609	19.1
97.06528	3.2
97.10160	1.4
105.07049	8.8
107.08591	14.3
109.06525	10.3
109.10157	10.7
111.08075	1.9
117.07032	1.8
119.08587	11.6
121.06496	1.1
121.10152	10.5
123.08072	55.6
123.11687	4.2
125.09648	1.4
131.08560	3.3
133.10146	7.4
135.08044	9.4
135.11678	5.4
137.09613	3.7
137.13289	2.0
143.08559	1.9
145.10130	6.0
147.11699	6.1
149.09595	3.5
149.13263	4.0
151.11264	1.1
157.10161	2.1
159.11703	6.1
161.13254	4.4
163.11314	1.7
165.12823	1.1
167.14362	1.4
171.11650	1.7
173.13280	2.8
175.14850	1.7
177.12784	4.1
179.14326	22.0
183.11627	0.8
185.13203	1.7
187.14828	1.3
189.16441	2.5
191.14317	1.8
193.15898	1.5
199.14859	1.3
201.16542	2.0
203.17963	2.0
211.14803	1.0
213.16432	2.0
217.19489	1.2
217.42970	0.9
233.19005	1.8
246.88664	0.8
263.20108	2.1
275.20071	5.7
289.25305	1.6
293.21158	4.2
303.26755	6.6
313.25381	1.7
326.17462	0.8
331.22366	1.8
331.26312	34.9
332.26749	1.6
345.28287	0.9
349.27386	12.1
363.68378	1.0
367.24750	2.1
405.30252	2.7
405.35165	1.9
423.31097	100.0
423.36172	7.8
424.31888	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	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25410	0.9
53.03957	1.3
55.01877	2.4
55.05522	9.3
57.03444	2.2
57.07071	4.4
64.55080	1.0
65.53238	1.2
67.05510	16.4
69.03431	1.6
69.07072	14.9
69.29679	9.4
71.04997	1.9
71.08632	1.7
76.56456	1.1
79.05486	8.1
81.07062	24.0
83.04993	2.2
83.08631	4.6
85.06549	1.7
89.06044	1.2
91.05492	7.2
91.14798	1.0
93.07047	15.2
95.04976	1.8
95.08620	24.9
97.06553	3.1
97.10194	1.8
99.08095	1.4
105.07036	11.5
107.08608	14.8
109.06528	13.2
109.10156	11.9
111.08093	2.8
117.06995	2.5
119.08599	12.9
121.06543	1.8
121.10159	13.4
123.08080	57.3
123.11681	6.7
125.09651	2.2
131.08589	4.5
133.10155	9.5
135.08076	10.9
135.11700	9.7
137.09625	4.0
137.13287	2.6
143.08569	1.8
144.26865	1.0
145.10153	6.8
147.11694	7.4
149.09636	5.8
149.13300	5.2
151.11156	2.0
151.52959	1.2
157.10158	2.4
159.11697	7.7
161.13246	5.1
163.11137	1.5
163.14891	2.2
165.12810	2.6
171.11703	1.5
173.13258	6.0
175.14865	3.4
176.26883	1.1
177.12764	4.6
177.16414	1.3
179.14333	15.6
185.13223	1.7
187.14798	1.9
189.16420	3.0
191.18065	2.0
197.13351	1.2
199.14850	2.8
201.16422	3.0
203.17966	1.9
205.15971	1.5
215.17941	2.1
218.75832	1.0
227.17928	1.9
229.19626	1.6
241.19588	1.1
247.20634	1.7
263.19904	2.4
275.20065	7.4
283.24155	1.2
289.25311	1.6
303.26892	7.7
313.25443	1.2
331.26352	45.0
332.26730	1.4
349.27481	1.7
367.24741	3.6
405.35321	3.1
423.31119	100.0
423.36246	9.9
424.31390	4.0
437.31488	1.3
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
52.50783	0.8
55.01876	1.1
55.05511	6.7
57.03427	2.2
57.07085	6.0
59.05015	1.3
65.03942	0.8
67.05509	20.0
67.17039	0.9
69.03428	1.0
69.07070	6.4
70.79668	1.9
70.79996	0.9
71.04998	1.5
71.08646	4.5
75.41914	0.8
79.05495	10.0
81.07057	23.0
83.05001	1.4
83.08629	3.4
84.28914	0.8
85.06543	3.5
91.05475	7.2
93.07038	12.2
95.04987	1.7
95.08613	15.4
95.09178	1.2
97.06527	2.0
97.10201	1.8
99.08099	3.3
100.99569	0.9
103.05464	2.7
105.07040	8.3
107.05003	1.0
107.08590	11.3
109.06519	23.2
109.07272	1.2
109.10161	12.8
109.10843	1.2
111.08107	2.6
117.07025	1.4
119.08577	8.2
121.06512	2.2
121.10159	7.6
122.07310	2.7
123.08073	37.0
123.11707	1.8
129.07021	0.9
131.04942	5.0
131.08621	4.6
133.06583	1.0
133.10139	7.6
135.08055	9.7
135.11697	3.9
137.06093	0.9
137.09621	1.5
137.13304	1.9
143.08543	2.1
145.10156	3.4
147.11702	3.6
149.09616	2.7
149.13235	4.7
150.89104	0.9
151.11131	1.0
157.10057	1.2
159.11710	4.3
161.09593	1.6
161.13280	2.5
163.11090	0.9
163.14761	0.9
165.12711	1.1
167.14342	2.2
171.11748	1.8
173.11781	2.0
173.13211	1.7
175.11211	1.0
175.14842	1.5
177.12764	1.9
179.14316	100.0
180.14656	1.9
182.10991	0.8
185.13393	1.6
191.14383	0.8
193.15974	3.0
199.14824	1.0
201.16400	1.9
205.15942	3.4
213.16588	1.1
233.19102	1.4
263.20062	1.1
275.20160	1.5
283.16257	0.9
303.26965	2.3
313.25345	1.0
321.09595	1.0
331.26318	36.7
332.26990	1.2
349.27362	10.3
367.24997	1.7
405.30283	1.8
423.31155	96.8
424.31476	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01865	1.7
55.05512	7.4
57.03431	2.1
57.07076	3.4
64.63916	0.6
67.05180	1.1
67.05508	12.6
69.03395	0.9
69.06732	1.1
69.07069	12.0
71.04990	2.4
71.08633	3.5
71.51189	1.1
73.06512	0.6
76.97945	0.6
79.05501	7.9
79.85300	0.5
81.06590	1.2
81.07058	18.0
83.04972	1.1
83.08628	5.0
85.06541	2.3
91.05486	6.1
93.06499	0.7
93.07052	10.3
95.04971	1.8
95.08611	16.7
97.06552	1.8
97.10178	2.2
99.08089	2.0
103.05476	1.7
105.07037	8.4
107.08592	11.5
109.05805	0.9
109.06522	13.9
109.10149	8.2
111.08073	2.6
113.85222	0.6
117.07016	1.3
119.08583	9.3
121.06486	1.5
121.10159	6.8
122.07312	1.6
123.08075	54.8
123.11698	3.0
124.08440	0.8
125.09643	1.1
131.04935	2.9
131.08563	3.0
133.10123	6.1
135.08046	9.3
135.11682	4.4
137.09573	3.3
137.13234	1.3
143.08568	1.3
145.10133	4.5
147.11688	4.6
149.09612	3.6
149.13258	4.4
151.11127	1.3
155.08440	0.7
157.10146	2.1
159.11694	4.6
161.09639	0.9
161.13248	3.1
163.11208	1.6
163.14857	1.3
165.12856	1.5
167.14355	0.8
169.10136	0.8
171.11688	1.3
173.13297	1.7
175.14856	1.7
177.12772	3.5
179.14314	37.4
184.61697	0.6
185.13321	0.9
187.14838	1.5
189.16354	1.7
191.14403	0.8
193.15942	1.4
197.13358	0.7
199.14941	0.9
201.16467	1.5
205.15915	2.2
215.18019	1.0
217.19612	0.7
231.53627	0.7
233.18929	1.3
243.21007	0.7
247.20636	1.7
251.20107	1.1
263.20020	1.6
275.20026	3.9
289.25171	0.9
293.21179	3.6
303.26837	5.5
331.26318	40.7
332.26752	1.0
349.27411	13.5
367.24796	2.5
405.30106	2.1
405.35193	1.0
423.31116	100.0
424.31528	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.05511	7.7
57.03439	2.5
57.07082	7.4
67.05505	16.9
67.05843	1.4
69.03436	1.4
69.07074	10.3
69.66148	2.8
69.66550	1.9
71.05003	2.2
71.08618	5.7
79.05499	9.9
81.03443	1.5
81.07060	23.2
83.04996	1.1
83.08637	3.3
85.06544	2.7
91.05500	6.9
93.07047	12.5
95.04961	1.4
95.08613	16.5
97.06532	3.4
97.10209	1.3
99.08101	2.4
103.05450	1.9
105.07025	7.6
107.05010	0.8
107.08598	12.3
109.06522	22.5
109.10161	12.7
111.08086	1.9
117.07036	2.9
119.08585	8.8
121.06490	1.3
121.10162	7.0
122.07320	1.5
123.08071	35.8
123.11730	3.0
125.09707	1.0
131.04951	3.6
131.08592	3.1
133.10144	6.6
135.08075	9.4
135.11736	3.1
137.09612	2.0
143.08606	1.4
145.10135	5.9
147.11693	4.3
149.09656	1.7
149.13281	3.2
155.10675	0.9
157.10199	1.9
159.11736	3.4
161.13312	2.0
163.14807	1.5
165.12772	1.6
167.14412	1.5
169.10094	1.0
170.44623	0.8
171.11798	1.3
173.11832	1.4
173.13297	2.0
175.14980	1.6
176.15842	0.9
177.12747	2.1
177.16380	1.0
179.14320	100.0
180.14680	1.2
185.13293	1.7
187.14787	1.3
191.14328	1.1
193.15945	2.9
195.13896	1.2
199.14775	1.0
203.14388	1.0
205.15927	3.6
210.33893	0.9
213.16365	0.9
255.36194	1.0
275.19971	1.6
289.25623	1.2
303.26761	1.7
313.25323	1.5
331.22394	2.1
331.26328	38.7
332.26654	1.4
349.27365	11.8
367.24887	1.2
405.30045	2.8
423.31158	99.9
424.31659	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	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	30.9
57.07072	10.5
67.05511	54.3
69.03445	7.9
69.07069	41.2
70.75642	6.7
70.75948	4.0
71.08610	7.0
76.16123	3.8
78.04974	3.6
79.05503	31.7
81.07058	93.6
83.08620	17.3
85.06543	7.4
91.05462	30.5
93.07046	64.5
95.04964	9.7
95.08616	93.5
97.06531	6.2
97.10191	9.1
101.43810	4.1
105.07036	59.4
107.08601	79.3
109.06512	23.1
109.10150	69.2
111.08047	4.6
111.11737	7.4
116.24252	4.2
117.06996	4.6
119.08581	63.2
121.10141	56.0
123.08084	40.7
123.11677	29.3
125.09586	6.6
131.08591	20.9
133.10161	36.2
133.34753	3.9
135.07986	12.3
135.11694	51.9
137.09605	13.2
137.13239	10.8
143.08580	5.8
145.10132	29.1
147.11688	30.9
149.09552	4.9
149.13246	47.6
151.11238	5.5
157.10085	12.4
159.11693	33.7
161.13252	31.2
163.14815	20.6
165.09119	15.3
165.12744	5.7
171.11676	14.1
173.13272	22.9
175.14841	16.3
177.16373	13.4
179.14310	78.9
185.13243	13.2
187.11249	5.3
187.14821	12.5
189.16389	17.2
191.14381	4.6
191.17953	14.8
193.15869	14.6
197.13219	5.3
199.14815	13.2
201.16394	17.6
203.17987	10.9
205.15794	5.1
211.14821	7.7
213.16440	12.7
215.17960	13.9
217.19473	11.8
227.17958	14.3
229.19556	7.9
231.21219	6.4
239.17863	5.0
241.19582	6.6
243.21191	7.2
255.21176	7.6
257.22644	14.5
259.24146	5.7
269.22617	9.0
271.24030	11.5
283.24158	5.3
331.26379	42.9
349.27435	8.1
405.35172	24.4
414.63754	4.6
423.30920	100.0
423.36243	96.8
424.36530	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	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67452	2.1
53.03942	3.7
55.05520	16.1
57.07063	4.9
67.05511	25.3
69.07075	30.2
69.46876	3.1
69.47186	17.6
79.05495	20.4
81.06589	3.7
81.07063	51.2
83.08619	9.9
89.77473	2.1
91.05495	21.2
93.07052	46.1
95.04998	2.8
95.08616	84.4
97.10168	6.9
98.20765	4.9
99.08070	2.7
105.07042	40.6
106.87949	2.3
107.08599	66.2
109.06527	5.1
109.10168	48.2
111.08080	4.5
117.07021	11.1
119.08588	54.6
121.10155	50.5
123.08058	8.2
123.11717	23.3
125.09663	5.2
128.04926	2.5
128.06102	2.2
129.06970	3.9
131.08586	23.4
133.10130	39.1
135.08046	3.5
135.11710	32.9
137.13251	9.1
139.01514	2.4
142.07712	2.1
143.08565	8.8
145.10150	30.0
147.11710	27.0
149.09644	3.4
149.13281	22.5
157.10143	10.1
159.11702	48.3
159.13023	2.6
161.13275	29.3
163.13742	2.4
163.14868	22.3
169.10165	2.7
171.11697	7.4
173.13286	25.1
175.14838	20.8
177.12766	5.6
177.16399	10.1
179.14334	10.8
185.13275	6.3
187.14845	22.9
189.16406	23.2
191.14452	3.2
191.17957	34.7
197.13324	4.2
199.14854	9.3
201.16362	23.3
203.14363	2.7
203.17937	21.3
205.15944	6.9
205.19553	6.3
207.17451	6.5
213.16402	9.5
215.18002	30.4
217.15955	4.5
217.19550	18.0
219.20996	2.7
227.17976	4.4
229.19591	8.1
231.17509	4.0
231.21063	6.5
233.19090	11.2
243.21172	7.4
245.22752	3.6
255.21066	4.4
257.22708	7.3
259.20633	2.4
269.22696	3.8
281.22766	3.2
284.43451	2.7
297.25903	2.7
331.26270	4.0
405.35233	22.7
423.31015	12.9
423.36230	100.0
424.36551	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.3
57.07079	4.2
63.95568	1.8
64.22983	1.7
67.05508	24.6
69.07076	21.5
70.06604	4.4
70.17720	1.9
71.04996	1.9
76.11661	2.0
79.05495	16.0
81.07060	55.3
82.07397	1.7
83.04968	3.4
83.08639	11.7
85.02895	3.0
86.09722	2.5
91.05472	22.4
93.07043	38.9
95.04971	3.9
95.08611	88.3
97.06557	2.7
97.10170	5.1
97.54865	1.6
103.05512	2.1
105.07037	46.8
107.08604	57.4
109.06487	2.7
109.10159	66.9
110.10464	2.5
111.08100	5.1
111.11765	2.5
117.07024	7.7
119.04971	2.0
119.08589	58.8
121.10155	55.6
122.79517	1.7
123.08118	2.5
123.11702	19.6
129.07019	2.0
131.08589	17.9
133.10141	46.6
135.11691	30.1
137.05981	24.8
137.13258	7.2
139.11157	4.5
143.08571	7.1
145.10123	24.3
147.11684	41.2
148.12004	2.1
149.06009	2.5
149.13255	20.5
151.07521	11.2
151.14787	2.5
157.10141	9.4
158.10895	2.5
159.11696	29.2
161.06007	5.8
161.09607	1.9
161.13268	29.4
163.14865	12.8
167.07039	1.9
169.10042	2.4
171.11710	7.5
173.13242	16.3
175.14827	20.6
177.16379	9.2
183.11691	3.4
185.13278	7.8
187.14771	10.8
189.16423	18.8
191.14429	2.1
191.17973	9.7
197.13258	3.9
199.14758	8.6
201.16348	16.7
202.70230	2.0
203.17972	49.0
205.19571	2.9
207.17551	1.9
211.14835	3.8
213.16380	8.4
215.17937	14.9
217.19560	14.2
219.17418	3.2
227.18001	5.4
228.92906	2.6
229.19522	6.7
231.17442	2.4
241.19545	4.9
243.21091	3.9
245.19133	2.6
255.21063	4.5
257.08121	3.4
257.22653	4.5
259.20792	1.9
267.21054	4.5
269.22675	6.9
271.24237	3.5
273.21960	2.1
283.24374	3.9
285.11255	3.9
295.24286	3.0
313.08017	2.9
323.27164	2.4
327.12085	2.2
365.32373	3.6
369.49429	1.9
379.33612	4.4
405.35245	13.2
423.36209	100.0
424.36475	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	423.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.05516	16.4
56.73159	1.4
57.07071	6.6
65.03944	1.9
67.03080	1.5
67.05513	25.3
69.06726	2.3
69.07074	23.8
69.29778	11.4
69.30180	2.3
71.04990	1.8
71.08659	1.7
79.05507	24.6
81.07066	56.9
83.08631	13.8
86.83621	1.5
91.05480	25.7
93.07052	46.5
95.04989	2.4
95.08617	100.0
97.06571	3.9
97.10181	5.6
105.04552	1.7
105.07038	53.9
107.08603	76.0
107.47253	1.6
109.06551	3.5
109.10165	61.0
111.08124	4.3
117.07016	10.4
119.08593	73.3
120.08883	1.6
121.06509	1.5
121.10149	54.3
123.08089	4.8
123.11715	21.7
125.09647	5.4
129.07013	4.1
131.08588	27.2
133.10146	45.2
135.08153	1.6
135.11703	39.2
137.09616	1.8
137.13275	14.1
142.07814	1.8
143.08586	8.8
144.09302	3.6
145.10141	44.6
147.11693	29.7
149.13257	32.2
151.11227	2.2
151.14841	4.0
156.09373	2.1
157.10144	11.3
158.10905	3.4
159.11702	46.0
161.13277	37.5
163.11234	2.6
163.14821	18.8
165.12810	3.2
169.10201	3.1
171.11722	10.4
173.13261	34.6
173.14677	2.2
175.14861	32.0
177.12848	2.2
177.16348	12.8
179.14323	7.1
183.11714	2.7
183.34853	1.6
185.13239	8.9
187.14839	22.9
189.16376	29.5
189.17929	2.4
191.14386	1.6
191.17969	52.9
193.15883	2.3
197.13324	3.7
197.91832	1.6
199.14870	10.2
201.16394	28.7
203.17961	23.2
205.15967	6.0
205.19485	7.4
207.17537	2.9
211.14980	2.0
213.16373	9.3
215.17978	41.8
217.15981	3.4
217.19496	17.6
219.17529	7.6
225.16454	3.1
227.17949	5.7
229.19557	6.4
231.17526	5.0
231.21106	5.0
232.47807	1.7
233.19098	12.7
239.17960	3.3
241.19670	4.6
243.21042	7.5
245.22571	3.4
253.19498	2.9
255.21126	6.6
257.22662	2.2
259.20697	1.5
267.21201	2.8
269.22675	3.9
271.20856	1.8
271.24222	1.5
273.22247	3.1
281.22754	2.4
283.24176	2.4
285.22189	2.6
295.24426	2.2
297.25873	3.2
309.26117	1.7
349.28598	2.2
405.35233	23.0
423.36316	84.1
424.36426	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.3
55.05507	18.7
57.07071	10.7
60.01165	3.1
67.05508	50.4
67.07598	3.6
69.03429	5.9
69.07069	32.6
69.55182	20.6
79.05070	3.2
79.05474	18.2
79.67758	3.3
80.83495	3.2
81.03439	4.9
81.07062	68.7
83.04993	3.5
83.08615	17.3
84.67491	3.3
85.06551	3.5
91.05499	17.5
93.07037	43.1
95.05011	4.5
95.08608	94.8
97.06549	6.2
97.10198	5.4
98.20811	6.3
98.97588	4.1
103.05466	49.8
105.07033	42.2
107.08600	58.0
109.06522	8.0
109.10168	55.4
110.97549	4.3
111.08118	5.5
116.06194	4.4
117.06998	9.0
119.08588	61.6
121.10161	46.9
123.08038	4.4
123.11687	22.2
125.09613	5.5
129.07016	4.1
129.42494	3.4
131.04929	100.0
131.08588	25.7
133.10165	35.6
135.08046	4.7
135.11705	26.6
137.09668	3.9
137.13263	26.3
139.11160	9.8
142.96294	3.3
143.08583	10.3
145.02805	5.0
145.10130	31.9
147.11690	29.3
149.02368	4.3
149.13264	22.5
151.03947	4.1
157.10156	14.6
159.11705	47.1
161.13243	28.4
163.14845	9.1
169.10168	4.0
171.11705	12.3
173.13243	23.3
175.14764	26.4
177.05531	10.2
177.12682	4.0
177.16382	19.3
179.14317	9.4
183.11591	4.8
185.13240	13.9
187.14862	22.8
189.16406	23.1
191.17928	19.0
193.15895	4.8
194.05289	4.5
197.13335	4.2
199.14809	9.1
201.16402	27.3
203.17973	17.6
209.09573	4.3
211.14839	4.7
213.16371	11.6
215.18007	38.2
217.19629	9.1
219.01807	8.1
219.17436	8.3
225.16260	5.0
227.17921	8.6
229.19525	8.3
233.19173	4.4
237.02791	7.2
239.17986	5.6
243.21188	5.6
245.19073	8.3
245.22739	4.0
255.21016	6.0
267.21133	3.6
269.22321	4.5
273.22098	5.1
279.04028	16.1
281.22586	4.1
283.24188	5.3
285.25940	3.9
331.26358	5.8
339.79889	3.5
365.32294	4.1
405.34998	14.9
423.30780	13.5
423.36179	82.4
424.36465	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	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90200	0.7
56.96577	0.9
70.98080	0.7
70.99805	0.8
82.99403	0.8
82.99795	3.4
94.99853	0.7
97.02872	0.8
98.97585	2.0
101.00881	22.2
109.02921	1.0
110.97518	0.9
113.00879	5.9
119.01919	12.8
127.02421	3.9
129.00362	1.1
131.01901	7.8
137.00835	0.8
137.02905	0.6
137.40672	0.6
139.02460	1.6
143.01900	41.0
145.03453	8.6
147.01373	1.1
153.03886	0.7
155.01894	16.7
157.03464	6.1
161.02960	35.9
167.01910	12.7
169.03433	3.0
171.05043	2.0
172.97552	0.9
173.02963	16.9
175.04521	1.2
179.01915	5.8
185.02960	29.2
186.03247	0.8
187.04544	3.5
191.02431	0.8
191.04031	2.9
197.02957	13.5
199.04475	0.7
203.03990	14.0
208.04472	0.8
209.02834	1.3
215.03976	5.8
221.05061	1.2
227.03993	8.2
228.89043	0.6
239.03972	0.7
245.05074	100.0
246.05219	2.3
257.05051	5.6
263.06134	22.2
264.06436	0.9
275.06097	11.2
293.07111	2.6
305.01846	1.3
305.07239	7.5
332.34515	0.7
335.08160	2.1
365.09283	5.5
425.10544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01879	2.8
55.05519	3.8
57.03411	1.4
57.07060	1.1
59.04998	0.9
61.02923	1.1
65.03934	2.7
67.05505	8.6
68.99782	1.3
69.03432	5.8
69.07074	7.0
70.06596	1.9
71.04977	1.4
71.51128	0.9
71.51509	0.6
79.05503	5.1
81.03429	3.0
81.07061	11.8
83.04983	2.4
83.08619	1.5
85.02914	6.2
85.06524	2.1
87.00842	3.4
91.05473	7.3
93.07044	8.7
94.04189	0.7
95.04990	4.2
95.08615	15.4
97.02905	4.2
97.06535	1.9
97.10132	0.8
99.04490	2.6
99.08091	1.1
105.01862	0.9
105.07041	10.1
107.04963	4.7
107.08598	10.7
108.02080	2.2
109.02889	1.7
109.06519	2.8
109.10167	8.7
111.04453	1.2
111.08087	1.5
111.11717	0.9
115.03929	3.4
115.05450	0.7
117.07018	2.1
119.04963	1.0
119.08588	10.7
121.06508	2.8
121.10157	9.6
122.03654	1.8
123.04432	1.6
123.08064	2.6
123.11716	7.9
125.06043	0.6
125.09618	1.5
127.03897	1.4
128.06200	1.2
129.01878	0.9
129.06996	2.7
130.07800	0.7
131.08592	4.7
133.06569	1.0
133.10139	8.6
135.08076	2.7
135.11694	4.4
135.85632	0.6
137.05984	23.6
137.09612	1.5
137.13264	0.8
141.05464	1.5
141.07054	0.8
142.07822	1.1
143.08566	2.8
144.09393	0.7
145.02837	0.9
145.06467	1.2
145.10146	5.5
147.08061	2.0
147.11696	5.4
149.05983	8.9
149.09619	2.7
149.13274	3.2
151.03917	100.0
151.05022	8.5
151.11145	0.7
152.04259	1.1
153.07014	0.6
155.08559	1.3
156.09389	0.8
157.10193	3.8
159.02928	1.0
159.08055	1.6
159.11691	4.4
159.31349	0.6
161.09645	2.0
161.13268	4.0
163.07430	0.6
163.11198	0.8
163.14850	3.6
165.05588	0.7
165.06984	1.2
165.09137	1.6
166.07681	0.7
167.07101	1.0
167.08531	0.7
169.10133	2.8
171.08073	0.8
171.11664	2.3
173.09637	1.3
173.13307	3.4
175.07623	0.9
175.11140	1.3
175.14822	6.5
177.05479	15.6
177.12784	1.2
177.16435	3.4
179.07014	1.5
179.08502	0.8
181.05058	3.6
181.06465	0.9
181.10152	1.2
183.08089	0.8
183.11699	1.5
185.13289	2.0
187.11208	1.6
187.14845	3.6
189.12782	1.9
189.16382	3.4
191.17972	2.6
197.13263	1.4
199.07440	0.7
199.14835	3.1
201.03940	0.9
201.12764	1.0
201.16422	2.2
203.10776	0.7
203.14395	0.7
203.17982	1.6
205.15889	0.7
205.19548	0.6
209.13274	1.6
211.07619	1.6
211.11194	0.9
211.14784	1.3
213.09227	1.1
213.16432	1.8
215.14310	0.8
215.17970	0.7
217.15947	2.1
219.17468	2.1
225.09093	0.8
227.14290	1.5
229.12453	0.6
229.15842	0.8
231.17487	1.4
240.07663	0.6
241.15900	0.9
243.17448	1.2
249.18619	0.8
257.19058	0.6
257.22653	0.8
261.18506	0.9
267.17484	1.9
271.09573	1.1
283.09738	0.8
285.18546	4.2
289.05371	0.9
289.10587	0.7
301.10806	6.1
303.19595	4.5
389.19568	2.4
407.15433	0.8
407.20767	9.6
418.08017	0.6
425.17087	1.0
425.21878	1.5
425.30399	0.7
425.37750	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
53.31283	3.9
55.01863	15.0
55.05513	28.7
57.01188	3.2
57.03436	6.6
57.07066	6.0
66.55784	4.0
67.05508	34.5
68.99780	6.4
69.03425	33.9
69.07069	40.8
69.46375	18.6
69.46783	10.8
70.06585	11.2
71.04988	5.8
71.94640	3.3
73.02911	4.6
79.05486	25.8
81.03403	11.6
81.07068	62.5
83.04960	15.1
83.08616	15.8
84.08129	5.8
85.02908	36.0
85.06531	6.3
87.00821	14.9
91.05480	29.8
93.07056	43.3
95.04981	10.8
95.08611	100.0
97.02898	23.4
97.06533	3.8
97.10149	7.6
99.04421	6.5
99.08062	6.5
105.01850	4.6
105.07041	51.3
107.04955	14.9
107.08591	53.4
109.02872	9.8
109.06510	10.0
109.10165	61.2
111.04436	6.6
111.08064	7.3
111.11721	4.4
115.03927	16.7
117.07006	12.0
119.04922	4.9
119.08584	57.5
121.06485	10.4
121.10155	59.2
123.04440	6.0
123.08061	8.9
123.11707	48.5
125.09565	5.8
127.03883	9.9
129.01840	7.5
129.07004	13.6
131.08546	23.7
133.06401	4.6
133.10144	45.1
135.08055	8.7
135.11676	29.3
137.05995	21.4
137.09605	4.3
137.13277	4.9
142.07799	5.5
143.08510	12.5
145.02760	3.6
145.04922	3.7
145.06476	6.1
145.10133	32.2
147.02905	5.1
147.08043	10.5
147.11691	34.8
149.05986	6.5
149.09608	6.0
149.13284	18.8
151.03923	57.6
151.04993	4.8
151.07487	7.2
155.08565	8.0
156.09308	5.2
157.10130	15.1
159.02933	9.2
159.08073	7.3
159.11751	20.2
161.05937	4.8
161.09618	12.4
161.13266	25.9
163.07497	6.9
163.11227	9.0
163.14838	17.5
165.09096	8.1
167.07042	13.9
169.10100	9.4
171.11662	13.7
171.55954	4.0
173.09593	6.8
173.13266	15.1
175.11247	9.0
175.14806	44.6
177.05507	10.6
177.09088	4.1
177.12762	3.5
177.16368	23.6
179.06987	7.0
181.04898	4.3
183.11745	7.0
185.13171	7.3
187.14807	14.9
189.12816	4.2
189.16403	28.2
191.17982	18.0
193.15948	4.3
197.13214	5.1
199.14832	15.1
201.03917	4.3
201.12839	6.1
201.16383	15.0
203.14168	4.7
203.17982	14.6
205.15979	9.0
207.17412	6.6
209.13309	5.3
213.16367	5.1
215.14337	6.1
215.17970	5.9
217.15930	12.9
217.19484	5.6
219.17444	12.8
227.14345	9.3
229.19576	6.4
231.17503	4.7
239.09184	4.8
243.17416	7.3
255.21208	4.2
257.19055	4.7
259.17038	5.5
261.18481	5.8
267.17612	7.1
285.18515	35.6
287.03586	4.9
289.05212	4.4
303.19464	37.7
319.09726	5.9
351.12341	8.6
371.18204	4.5
389.19443	15.5
407.20642	67.1
425.21796	13.0
425.37521	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	425.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83133	1.6
53.03934	6.0
55.01860	7.7
55.05516	32.1
55.90102	1.5
55.99107	1.4
57.03423	6.7
57.07079	10.3
57.33532	1.5
61.43206	1.6
65.03928	5.1
67.05509	87.2
69.03086	3.1
69.03436	36.4
69.07070	30.9
69.37856	3.2
69.38251	13.4
71.01343	2.6
71.04981	5.2
71.08614	6.5
71.50507	1.5
73.02910	4.1
74.44189	1.7
79.05071	2.6
79.05500	36.9
81.03420	36.8
81.07060	100.0
83.04993	12.1
83.08620	18.2
85.02894	14.5
85.06535	3.2
85.10177	2.3
91.05478	36.0
93.07047	53.8
95.04969	13.8
95.08614	72.8
95.15622	1.5
97.02884	11.6
97.06525	7.1
97.10159	7.0
99.04446	10.3
99.08088	4.3
103.05464	2.6
105.07038	36.6
107.04974	7.9
107.08603	30.7
109.02854	6.1
109.06506	6.9
109.10164	28.2
111.04443	8.0
111.08061	3.1
111.11714	1.7
115.03880	1.9
117.07002	12.9
119.08585	25.0
121.06498	6.8
121.10149	25.5
123.04469	4.0
123.08066	4.8
123.11704	15.0
125.09655	3.2
127.03898	6.5
128.06250	2.1
129.05481	4.0
129.07019	8.7
131.08571	22.5
133.06509	3.1
133.09442	1.4
133.10158	16.0
135.08063	3.7
135.11674	15.3
137.09647	2.5
137.13239	6.7
139.11147	3.4
141.07010	3.2
142.07861	1.6
143.08583	8.7
145.06458	5.0
145.10152	17.0
147.08095	4.9
147.11703	11.0
149.09618	3.4
149.13226	10.8
151.11264	2.7
151.14856	4.1
153.12778	3.9
155.08513	2.6
157.10127	6.0
159.08041	2.6
159.11723	9.1
161.09575	3.6
161.13264	14.6
163.11177	3.2
163.14790	9.2
165.12778	3.2
169.10153	2.1
171.08037	2.2
171.11678	5.6
173.11880	1.9
173.13278	6.4
175.14867	8.2
177.12831	3.5
177.16393	3.6
179.14404	3.0
181.10143	2.6
185.09584	2.2
185.13333	3.6
187.11237	2.0
187.14867	4.1
189.12726	2.9
189.16394	5.9
191.14348	3.4
195.13748	2.9
199.14766	3.6
201.12672	2.4
201.16376	5.5
203.14415	2.1
207.13792	3.1
209.15340	2.4
211.15210	1.8
213.16464	2.9
221.15387	3.9
225.16454	2.1
231.17497	2.3
237.16475	2.1
243.21129	3.4
245.22624	7.5
247.16855	2.1
249.18307	1.9
257.22614	2.1
261.22079	7.1
263.23694	11.8
273.18759	2.0
273.21765	2.4
275.23688	4.1
279.23184	4.3
287.23615	2.8
291.23325	9.8
293.24692	7.0
299.23761	2.0
303.23163	7.1
305.24741	6.3
315.23288	2.3
317.24756	4.5
321.24329	3.0
329.24777	3.3
333.24435	2.8
343.26346	5.9
347.25827	5.4
353.24609	7.4
361.27173	2.8
371.25809	22.9
389.26917	21.0
399.28287	1.7
407.27881	15.2
425.16711	3.4
425.28815	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	425.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
53.28912	1.0
55.05515	14.4
55.25612	1.0
57.03440	3.3
57.07080	6.7
67.05505	16.5
69.07072	18.7
69.26763	10.1
71.04996	2.3
71.08633	5.1
79.05512	8.8
79.72676	1.1
80.86340	1.1
81.07060	25.8
83.08627	8.9
85.06543	1.6
91.05463	5.5
93.07044	18.1
95.04949	1.4
95.08611	32.6
95.80481	1.2
97.06545	4.2
97.10191	3.3
101.77647	1.1
105.07029	10.9
107.08596	25.0
109.06517	5.0
109.10155	18.9
111.08081	3.7
113.09650	1.4
119.08590	12.7
121.10162	16.2
123.08070	22.3
123.11735	9.1
124.71708	1.1
125.09661	1.6
131.08575	3.1
133.10147	8.1
135.11703	9.4
137.09633	2.0
137.13248	4.3
145.10150	3.7
147.11679	6.7
149.13269	5.3
159.11687	3.0
161.13255	5.9
163.14848	3.5
167.14351	5.4
175.14859	3.0
177.16437	1.8
179.14294	18.6
181.15897	1.2
187.14830	1.5
189.16461	1.6
191.17979	4.0
201.16367	1.5
203.17970	5.3
205.62306	1.1
215.18079	1.7
217.19580	4.5
231.21141	1.6
235.20679	1.6
269.22644	2.4
277.21609	6.5
287.23856	2.0
305.28400	2.6
315.27145	1.7
326.29523	1.2
333.27908	80.6
341.25418	1.2
351.28964	16.9
386.93817	1.3
407.31610	5.1
407.36649	3.5
425.32642	100.0
425.37732	8.7
426.32800	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	425.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52147	0.9
52.69040	0.8
53.03949	1.0
55.05513	12.8
57.03432	4.0
57.07079	5.5
58.52409	1.0
65.03952	0.9
67.05508	15.0
68.98444	0.9
69.06729	1.6
69.07072	19.1
71.04974	2.7
71.08635	3.6
71.26554	0.9
71.26910	1.4
75.04499	1.1
75.57407	0.8
79.05502	9.4
81.07059	24.6
83.05000	1.7
83.08629	7.3
85.06540	2.4
91.05492	6.4
91.82897	0.8
93.07050	16.8
93.33073	0.9
94.21273	1.0
95.04984	2.2
95.08612	33.1
97.06537	4.3
97.10191	2.6
97.60207	1.0
99.08079	1.4
103.92293	1.0
105.07043	9.3
107.08604	25.0
109.06532	8.9
109.10165	17.9
111.08076	4.0
111.11707	1.2
115.10407	0.8
117.07019	2.2
119.08580	9.9
121.10140	15.9
123.08067	25.8
123.11718	7.7
125.09671	1.8
131.08600	3.0
133.10158	8.1
135.11694	7.8
137.09615	2.1
137.13269	3.2
145.10106	3.6
147.11697	6.1
149.13292	5.8
157.10176	1.5
159.11670	3.7
161.13210	6.6
163.14845	3.6
165.12857	2.0
167.14336	3.6
173.13292	1.9
175.14848	2.7
177.16399	2.4
179.14319	24.0
180.14763	1.6
181.15901	1.4
187.14848	1.4
189.16423	3.5
191.18021	2.6
193.15881	2.1
201.16519	1.1
203.17995	3.2
205.19658	1.1
207.17464	1.3
215.17999	1.3
217.19579	3.2
229.19548	2.4
235.39384	1.3
269.22726	1.6
271.24161	1.6
277.21640	7.4
291.75000	1.0
315.26984	1.5
333.27893	86.7
334.28311	2.7
351.29047	2.8
407.36960	3.3
414.99063	1.1
425.32666	100.0
425.37805	8.5
426.33057	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	425.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01871	5.7
55.05511	20.9
62.27721	3.5
65.03949	3.4
67.05516	38.1
69.07076	19.8
70.17609	17.4
71.08625	4.5
77.69921	3.9
79.05505	29.0
81.07064	95.7
83.04992	5.2
83.08624	10.8
89.06040	21.7
90.06347	5.5
91.05481	25.5
93.07051	62.6
95.04981	6.9
95.08610	100.0
97.10201	8.9
98.21449	4.9
99.08107	3.9
104.28793	4.2
105.07036	47.4
107.08606	68.7
109.06518	16.0
109.10160	53.8
111.08106	11.6
117.07016	6.6
119.08597	49.8
121.10157	49.1
123.11718	20.6
129.07031	5.8
131.08539	23.2
133.08611	8.6
133.10149	38.3
134.09004	4.0
135.08055	18.1
135.11707	35.7
137.09573	7.7
137.13283	12.3
142.07814	5.8
143.08589	9.2
145.10132	31.5
147.11720	32.0
149.09641	7.2
149.13283	35.7
155.08611	6.2
157.10139	14.6
159.11705	32.3
161.13257	26.1
163.14850	21.7
171.11673	8.8
173.13293	20.5
175.11266	5.4
175.14835	15.7
177.12827	4.4
177.16377	5.1
185.13246	7.8
187.14888	14.3
189.16463	18.5
189.64221	4.3
191.17924	7.8
199.14754	6.4
201.16405	8.7
203.17967	14.7
213.16435	4.5
217.19527	15.6
231.20956	4.1
239.14932	9.6
240.15173	9.8
241.19751	3.8
255.21164	4.8
271.24503	5.0
290.03308	4.1
323.27176	6.0
365.19821	4.3
407.33017	19.5
425.21771	5.7
425.33679	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	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.19901	2.7
53.03941	5.6
55.05516	26.5
57.07068	11.7
63.90795	2.4
64.17098	2.4
67.05184	3.3
67.05507	43.9
69.07071	58.9
71.04997	3.2
71.08635	3.4
71.42707	3.9
79.05495	24.2
81.07062	98.7
83.04967	5.5
83.08629	22.7
85.06554	4.9
91.05491	25.0
93.07051	63.9
95.04979	3.2
95.08613	100.0
96.08922	2.9
97.06544	5.6
97.10200	17.1
105.07047	45.6
107.08602	64.3
109.06532	2.8
109.10162	76.4
111.08057	3.7
111.11708	6.1
117.06956	5.6
119.08587	46.9
121.10151	70.0
123.11724	38.8
125.09639	4.2
131.08575	10.8
133.09254	3.8
133.10133	36.0
135.11711	40.5
137.13268	12.0
139.11206	3.8
145.10156	22.1
147.11693	47.3
149.13274	31.6
151.14856	3.2
157.10127	8.4
159.11728	23.2
161.13275	29.3
163.14839	21.7
163.63126	2.7
165.12708	4.0
171.11612	4.2
173.13239	15.4
175.14830	15.6
177.16400	15.2
185.13240	5.3
187.14857	10.2
189.16379	13.7
191.17987	12.2
199.14812	4.6
201.16426	10.6
203.17952	27.9
207.17433	3.4
211.14822	3.2
213.16451	6.1
215.17918	9.5
217.19571	11.5
227.17935	5.8
229.19559	11.1
231.21028	10.0
233.19308	2.6
243.21130	3.4
255.21126	3.3
257.22702	4.1
269.22610	5.0
270.51636	3.2
271.24051	3.2
285.25647	3.6
325.28918	12.0
343.30032	7.9
369.31573	3.1
407.36819	26.3
425.37906	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.39048	2.0
53.03938	3.7
55.05515	14.8
57.07072	6.1
65.03965	2.5
67.05509	39.2
69.07074	22.5
69.26378	2.6
69.26701	21.6
71.04987	4.2
79.05492	11.5
81.07057	57.0
83.08624	8.7
91.05496	11.9
93.07050	37.6
95.08607	72.0
95.09180	4.5
97.10189	4.9
98.21627	4.8
100.12857	2.0
105.07047	25.3
107.08604	46.9
109.10165	100.0
110.83389	2.3
113.03282	2.0
117.07031	2.7
119.08588	28.3
120.60188	2.0
121.10152	37.4
123.11713	22.0
127.11257	3.8
131.08578	4.9
133.10143	32.8
135.11702	27.9
137.09612	3.1
137.13258	16.9
145.10144	10.5
147.11685	25.8
149.13292	17.7
159.11678	11.4
161.13271	19.5
163.14786	13.3
173.13318	6.1
175.14861	11.0
177.16371	4.8
179.14343	4.0
187.14815	7.7
189.16370	15.8
191.18004	16.9
199.14842	2.7
201.16435	4.2
203.18005	20.9
205.19632	4.4
207.17450	6.9
215.17949	13.0
217.19553	18.5
219.20967	2.6
229.19574	5.6
231.21194	4.8
233.19171	2.9
255.20801	2.8
259.24332	2.4
285.26221	2.8
366.70206	2.3
407.36893	14.0
425.37833	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.02174	3.0
55.05514	20.0
57.07078	12.7
67.05509	39.6
69.07070	47.2
70.64022	8.4
79.05496	17.4
81.07060	75.8
83.08624	29.0
91.05478	16.3
92.31733	3.3
93.06486	4.6
93.07049	46.8
95.08617	100.0
96.64812	3.6
97.06559	7.4
97.10170	13.6
98.41615	3.3
103.41412	3.2
103.81608	3.7
105.07040	38.4
106.66557	3.0
107.08601	67.2
109.06509	3.5
109.10173	76.6
111.11735	12.3
111.99438	3.4
119.08584	44.0
121.10152	60.9
123.08046	3.5
123.11710	35.2
125.09644	8.3
127.11265	3.8
131.08583	12.6
133.10144	42.9
135.11693	55.9
137.13264	19.6
143.08588	7.5
145.10095	25.1
147.11703	42.0
149.12173	4.4
149.13258	31.0
151.14818	4.6
156.05103	3.4
157.10194	7.0
159.11679	28.6
161.13284	33.0
163.14827	24.1
168.93925	3.5
171.11682	7.3
173.13297	14.9
175.14874	15.0
177.16414	12.4
179.14195	4.8
185.13272	6.9
186.93895	3.1
187.14838	13.1
188.39517	3.7
189.16408	22.2
191.17973	33.2
199.14857	7.7
201.16417	23.4
203.17960	48.6
205.15929	4.3
205.19481	14.9
207.17389	5.1
213.16449	9.5
215.17993	26.3
217.19539	31.2
219.20999	4.3
227.17896	5.8
229.19582	6.6
231.21042	7.1
233.19118	4.1
243.21135	6.4
245.22734	5.6
255.21078	6.6
269.22699	25.8
271.24249	4.1
285.25699	4.5
287.23743	27.5
297.25665	10.4
313.25330	5.5
315.26855	7.8
407.36765	39.4
425.32312	5.2
425.37833	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
50.21500	3.2
55.05514	22.7
57.07085	22.1
67.05505	28.2
69.07072	100.0
71.08643	3.1
71.43492	5.7
77.62149	2.7
79.05488	13.4
79.81161	3.1
81.07056	47.6
83.08614	35.1
85.06515	3.7
91.05460	12.8
93.07051	29.7
95.04883	3.1
95.08612	51.2
97.06551	3.4
97.10143	15.7
105.07041	20.6
107.08604	40.1
109.10158	52.6
111.11700	11.4
116.07074	9.1
117.07030	3.4
119.08607	31.1
119.09395	4.8
121.10156	31.5
123.11712	22.1
124.81976	3.8
129.07014	4.6
131.08540	13.0
133.10121	20.8
135.11699	46.3
137.13255	14.1
143.08537	6.3
145.10143	22.4
147.11696	25.7
148.04520	3.7
149.13303	17.8
153.12781	4.2
157.10092	5.2
159.11679	18.6
161.13271	25.7
163.14819	19.2
171.11699	10.1
173.13330	22.6
175.14832	12.1
185.13324	7.4
187.14813	15.0
189.16342	11.9
191.17863	5.5
197.13338	3.4
199.14806	10.7
201.16370	14.7
203.17960	9.3
213.16351	13.5
215.17995	19.8
217.19528	8.8
227.17973	8.7
229.19537	4.3
241.19539	6.2
242.84969	3.7
243.21129	5.7
255.21143	7.6
259.24185	3.7
269.22656	51.1
283.24240	5.6
285.22583	4.5
285.25739	4.3
287.23669	53.0
297.25809	15.4
299.23706	4.3
299.60248	3.6
313.25089	4.4
315.26813	26.4
336.26221	9.8
339.30518	4.3
407.36801	31.0
425.37866	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05520	8.9
57.07080	7.8
67.05519	19.5
69.07076	16.1
69.18826	9.9
69.19241	4.6
79.05492	7.5
81.06586	3.1
81.07066	63.7
83.04984	5.1
83.08628	9.0
91.05471	4.7
93.07056	11.9
93.99287	1.2
95.08613	100.0
97.10175	3.5
99.00771	1.3
105.07030	13.9
107.08602	19.1
109.10157	30.0
119.08591	12.0
121.10146	15.7
123.11713	18.6
125.09646	1.7
131.08578	3.5
133.10146	10.7
135.11697	12.8
137.13264	67.1
145.10130	5.0
147.11710	10.6
149.13260	11.0
151.14825	4.9
157.10202	2.4
159.11685	6.0
161.13261	9.3
163.14821	5.8
171.11768	1.4
173.13300	5.3
175.14880	4.8
177.16397	4.9
179.18027	3.3
185.13246	3.1
187.14859	5.1
189.16394	5.1
191.17981	3.7
193.19504	2.3
199.14838	1.8
201.16394	4.5
203.17982	8.1
205.19514	1.7
213.16483	2.4
215.17955	2.8
217.19576	6.1
219.21262	1.5
227.18028	2.0
229.19481	3.7
231.20990	1.6
233.19324	1.5
245.18996	1.6
245.22762	2.0
257.22641	8.2
269.22644	3.8
271.24164	1.8
273.22336	2.4
275.23798	1.4
289.25305	1.8
327.30408	1.8
365.48578	1.4
381.35370	2.1
407.36829	6.5
425.37854	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	425.3781
Annotation	Pachysandienol A
Peak:m/z	Relative Intensity
52.66512	3.6
55.05513	27.6
57.07077	26.2
67.05502	20.7
69.07076	100.0
69.56577	19.0
71.08613	4.0
79.05484	12.6
81.07057	47.6
83.08240	3.7
83.08631	50.5
87.44118	4.4
91.05471	13.0
93.07052	25.8
95.08617	60.8
97.10163	11.9
98.20817	4.8
105.07032	27.3
106.72756	3.6
107.08596	41.8
109.10166	48.8
111.08013	4.2
111.11713	7.1
117.07034	4.5
119.08584	32.6
121.10168	35.3
123.11756	25.9
131.08554	21.3
133.10152	29.8
135.11690	41.2
137.13329	7.8
143.08559	10.3
145.10146	25.3
147.11659	25.5
149.13306	21.1
151.14801	5.2
157.10147	10.6
159.11687	22.5
161.13269	33.4
163.14847	17.9
165.16399	5.4
171.11659	7.7
173.13336	20.0
173.14528	3.7
175.14807	16.6
177.16415	6.1
185.13242	9.3
187.14774	18.7
189.16396	10.5
191.17987	10.7
194.20003	3.7
197.13199	5.5
199.14827	15.0
201.16399	15.2
203.17979	11.2
211.14861	4.7
213.16418	16.9
215.17957	31.2
217.19557	6.0
226.16881	5.1
227.17937	9.5
229.19482	9.1
241.19569	5.1
243.21022	4.3
252.94482	4.7
253.19650	4.0
254.20438	4.1
255.09158	4.5
255.20953	9.4
269.22647	52.0
271.24155	6.8
273.22189	5.4
281.22623	3.9
283.24246	7.6
285.22113	7.9
285.25549	6.3
287.23709	54.1
295.24069	3.9
297.25745	14.3
301.25156	3.7
313.25305	11.2
315.26868	25.5
337.28763	5.6
407.36725	45.3
425.32297	4.8
425.37814	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03934	5.3
55.01864	3.2
55.05516	22.5
57.07072	6.3
63.50196	2.6
67.05180	3.8
67.05505	44.8
69.07066	51.4
69.32053	20.6
69.32453	4.8
71.04990	3.4
71.08620	2.7
77.79138	2.6
79.05490	20.7
81.06593	6.0
81.07057	100.0
83.08632	19.6
85.06525	3.6
91.05467	18.0
93.07046	52.5
93.74596	2.7
95.04967	3.7
95.08613	97.3
96.63651	3.2
97.06504	5.0
97.10174	12.0
101.44198	2.8
105.07039	38.2
107.08603	69.2
109.10156	68.4
111.11704	14.6
117.06946	3.9
119.08590	40.3
121.10146	56.8
123.11727	35.5
127.11245	4.0
131.08536	11.7
132.54483	2.8
133.10135	28.2
135.11697	35.3
137.09593	3.4
137.13237	20.3
139.11168	3.1
143.08568	3.7
145.10130	16.8
147.11707	28.8
149.13255	34.1
151.11205	4.3
157.10126	6.9
159.11717	19.5
161.13293	15.8
163.14822	19.6
171.11670	6.1
173.13266	13.3
175.14867	19.0
177.16379	17.4
179.14326	3.2
187.14796	16.7
189.16399	12.8
191.17952	9.9
199.14857	4.2
201.16351	11.2
203.16196	2.9
203.17950	13.3
205.19476	4.0
213.16425	4.0
215.17978	17.6
217.19524	12.4
219.21126	3.4
227.17920	5.0
229.19472	6.1
231.21088	7.6
233.19058	4.3
243.21017	6.8
257.22672	8.5
269.22647	4.0
271.24289	6.3
287.23499	4.2
289.25116	3.7
343.29886	5.8
351.30380	4.0
369.31570	4.8
407.36884	27.7
425.32343	6.3
425.37796	78.5
426.38153	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05506	7.7
57.07082	3.7
61.55927	1.5
65.19707	1.5
67.05509	16.0
69.07070	14.6
70.09048	6.9
79.05479	7.4
79.54131	1.5
81.07059	38.2
83.08620	5.1
91.05483	6.2
93.07049	17.3
95.08614	59.5
97.06567	1.9
97.10175	5.5
105.07047	14.1
107.08602	32.8
109.06628	1.5
109.10165	43.5
111.08075	2.4
111.11703	8.2
118.44695	1.4
119.08584	20.2
121.10146	26.3
121.30972	1.6
123.11705	22.0
125.13235	1.6
131.08548	2.0
133.10158	12.5
135.11687	16.2
137.13272	11.4
145.10147	6.3
147.11690	9.7
149.13268	13.0
156.18782	1.6
159.11719	8.2
161.13226	10.9
163.14807	9.5
173.13303	5.9
175.14803	7.5
177.16344	7.6
179.14330	2.6
187.14862	4.2
189.16393	10.0
191.17967	18.0
201.16397	6.5
203.17929	10.6
205.19534	9.5
207.17445	3.7
215.17941	9.3
217.19528	6.3
219.20996	2.0
222.07225	1.6
229.19662	5.0
231.21077	4.1
233.19008	2.7
241.19493	2.4
243.21175	5.5
245.22725	9.7
247.20624	10.7
255.21153	2.4
257.22626	3.7
259.24323	3.5
261.22308	3.5
269.22562	3.1
271.24261	3.5
283.24222	2.7
285.25726	3.0
287.23676	2.6
297.25760	3.2
301.25235	2.1
329.28058	2.3
337.29520	1.6
407.36719	17.6
425.37820	100.0
426.38245	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03928	2.0
55.05515	14.0
57.03429	4.1
57.07084	10.4
67.05508	24.6
67.07310	1.6
69.07071	20.2
69.81760	9.3
71.08637	3.7
79.05498	13.5
80.48220	2.3
81.06594	3.9
81.07063	72.0
83.08627	13.2
89.06030	4.4
91.05496	12.5
93.07046	27.8
95.01369	1.9
95.04952	2.3
95.08615	100.0
97.10168	6.8
98.20834	3.0
105.07035	21.7
107.08601	28.1
109.10164	45.3
111.11736	4.3
113.00021	4.3
117.06983	2.5
119.08577	20.8
121.10151	27.6
123.11716	26.5
129.05498	2.2
129.06952	2.2
131.08583	12.4
133.08624	2.4
133.10123	20.1
135.11711	25.5
137.13272	45.7
142.70485	1.9
143.08577	5.7
145.10139	16.3
147.11685	17.1
149.13286	12.3
151.14793	3.8
157.10155	4.9
159.11670	11.9
161.13283	10.9
163.14827	7.0
169.02664	4.5
169.05000	3.0
171.11707	5.8
173.13280	11.3
175.14850	8.6
177.16415	8.6
185.13240	7.4
187.14795	8.4
189.16377	9.1
191.17984	9.7
199.14798	7.0
201.16376	13.4
203.17921	7.5
205.15941	2.7
205.19554	4.4
207.17567	2.4
213.16414	7.1
215.17989	10.1
217.19537	9.1
219.17548	3.6
227.17957	7.4
229.19530	6.5
231.17606	2.7
231.20990	3.1
233.19101	3.2
236.90695	1.8
241.19731	2.4
245.19057	4.5
247.20692	1.9
255.21121	6.2
257.22693	6.6
269.22687	4.1
271.24188	2.4
282.27106	1.8
283.24045	4.9
301.25372	3.0
308.65842	1.7
313.27368	5.5
407.36813	19.2
425.21375	2.5
425.28934	3.4
425.37903	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03953	4.9
55.05518	18.8
57.07067	13.4
67.05515	40.6
69.07079	35.5
71.05014	4.3
71.08671	4.1
71.51786	3.7
79.05493	20.1
81.07065	84.7
83.08631	16.8
85.06546	7.7
91.05489	30.1
93.07051	64.8
95.04987	3.5
95.08615	100.0
96.29023	3.4
97.02885	5.4
97.06517	6.3
97.10165	11.6
99.08086	4.0
104.14481	2.9
105.06395	4.5
105.07047	49.9
107.07880	5.5
107.08602	81.6
109.10165	78.6
111.08060	4.8
111.11737	7.2
113.09654	3.0
117.06992	7.0
119.08596	63.0
121.10150	62.9
123.11720	37.9
125.09597	4.6
129.06921	3.8
130.56258	3.1
131.08559	12.9
133.10150	43.7
135.08054	4.3
135.11697	54.0
137.09618	4.3
137.13284	15.6
145.10098	19.6
147.11688	39.3
149.13281	40.5
151.11179	5.4
151.14838	4.5
157.10150	8.4
159.11728	25.2
160.12416	3.6
161.13295	36.3
163.14868	27.3
164.37161	2.9
171.11682	7.1
173.13280	14.3
175.14844	14.1
177.16412	10.7
179.14362	6.8
185.13168	3.9
187.14883	8.8
189.16400	31.0
191.17966	44.4
199.14841	6.9
201.16325	15.5
203.14130	4.6
203.17946	38.7
205.16061	4.5
205.19577	12.6
207.17422	4.6
213.16431	3.5
215.17955	14.1
217.19525	37.9
219.21140	5.6
229.19536	8.5
230.43903	3.4
231.21059	5.3
241.19449	3.4
243.21135	3.5
245.22643	5.9
257.22586	5.1
392.26544	4.0
407.37112	20.9
425.33270	4.8
425.37988	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.05506	17.8
57.07059	7.1
57.61755	1.9
63.49343	2.2
65.03943	3.1
65.83924	2.1
67.05181	3.0
67.05507	40.1
69.03410	3.2
69.06734	2.7
69.07072	32.4
69.73885	8.2
69.74303	4.6
71.04977	3.3
71.08620	2.3
76.12325	2.0
79.05137	2.1
79.05494	23.7
81.06598	4.4
81.07059	75.8
83.08620	13.7
85.06545	3.4
91.05479	15.3
93.07045	46.6
95.04964	2.5
95.08615	100.0
97.06519	6.4
97.10159	9.6
105.07040	37.6
107.08592	76.6
109.06433	2.8
109.10160	85.1
111.08064	3.2
111.11761	3.8
112.52883	1.9
117.06993	4.1
118.28251	2.1
119.08588	42.4
121.10143	59.3
123.08048	4.9
123.11705	36.6
125.09599	4.4
127.11230	2.6
131.08566	11.1
131.43719	2.4
133.10133	39.0
135.11699	49.8
137.13268	20.1
143.08592	3.1
145.10129	16.9
147.11702	33.3
149.13261	31.9
151.14778	4.6
159.11707	13.9
161.13277	28.5
163.14795	19.7
165.12698	2.7
171.11781	3.9
173.13266	10.6
175.14879	14.1
176.65724	2.1
177.16435	11.3
179.14345	5.7
185.13229	3.3
187.14764	7.2
189.16400	19.1
191.17966	39.0
201.16425	16.0
203.17970	24.9
205.15952	2.6
205.19499	13.8
207.17419	3.6
213.16327	4.4
215.17888	10.9
217.16174	2.4
217.19502	35.5
219.21036	3.2
229.19490	2.4
231.21092	2.9
233.19022	4.5
235.20657	2.8
243.21111	4.5
255.21082	3.0
257.22635	5.3
259.24109	3.0
271.23999	3.8
285.25894	2.2
297.25638	4.8
407.36725	18.1
425.31763	7.3
425.37839	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	425.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05509	15.9
55.65294	2.3
57.07066	5.3
67.05510	26.9
69.07072	28.7
70.75596	2.9
70.75922	4.8
71.04996	9.6
79.05495	15.9
81.07063	48.8
83.08636	10.8
85.02914	2.7
85.06524	2.6
91.05484	21.1
93.06482	3.8
93.07050	47.6
95.04971	3.1
95.08615	88.0
97.10155	6.2
99.08091	4.3
105.07034	36.1
107.04954	4.5
107.08599	64.6
109.10163	58.6
117.07003	3.8
119.08591	53.2
121.06583	2.8
121.10159	61.9
123.11722	29.7
127.11234	17.5
131.04974	3.6
131.08560	7.2
133.10156	48.2
135.11697	52.4
137.13239	12.4
143.08534	2.7
145.10095	10.7
147.10536	2.8
147.11694	35.8
148.77719	2.4
149.13263	47.8
157.10091	3.3
159.11710	13.9
161.13246	25.9
163.14809	8.3
165.09125	3.2
171.11638	3.4
173.13280	5.9
175.14842	13.3
177.16389	8.8
187.14819	6.5
189.16411	18.0
191.16214	5.1
191.17958	100.0
192.18373	2.8
201.16425	8.5
203.17986	27.7
205.19542	8.4
211.07544	2.4
211.35971	2.5
215.17993	3.6
217.19508	42.6
229.19630	2.4
233.19020	3.6
243.21071	4.0
257.22672	7.6
269.22461	2.5
407.36649	7.2
425.37994	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	425.378
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03956	2.3
55.05515	15.3
57.07071	8.7
65.03946	1.8
66.38618	1.6
67.05189	2.5
67.05513	37.0
69.03419	3.6
69.07072	27.6
70.68842	6.4
71.04978	2.3
75.14091	1.6
79.05503	25.3
81.07066	72.7
83.08630	13.2
85.10151	1.7
91.05488	18.5
93.06488	2.9
93.07052	46.7
95.05002	4.2
95.08617	100.0
95.80836	1.8
97.06541	5.6
97.10170	8.8
99.08057	2.4
105.07050	33.2
107.08611	71.5
109.06562	3.3
109.10170	70.8
111.08075	4.9
111.11675	3.6
117.07019	4.7
117.61203	1.7
119.08594	40.5
121.10162	53.6
123.08095	3.0
123.11720	37.3
125.09644	6.9
127.11156	2.2
131.08562	10.7
133.10136	26.5
135.10699	3.2
135.11700	44.0
137.13269	20.9
143.08499	2.7
145.10146	16.1
147.11714	32.1
149.09642	2.5
149.13290	31.8
151.14870	4.2
157.10170	3.2
159.11690	16.0
161.13283	23.6
163.14832	19.6
165.16447	2.1
169.10190	2.1
171.11739	2.2
173.13289	10.7
175.11246	2.9
175.14835	15.7
177.16385	11.3
179.14333	4.8
187.14903	8.4
189.16393	20.3
191.17975	38.7
199.14943	2.1
201.16464	11.4
203.17978	25.5
205.15945	1.8
205.19493	9.6
207.17474	5.5
213.16423	3.1
215.18005	8.7
217.19559	28.6
219.21089	3.4
229.19539	5.9
233.19041	2.8
235.20746	2.9
243.20853	2.7
245.22667	5.9
255.21301	1.9
257.22635	5.2
259.24289	2.0
266.95602	1.8
271.24234	2.8
297.25784	2.7
305.13849	2.5
407.36890	18.8
425.18054	8.2
425.37851	52.6
426.37973	1.8
430.66586	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03943	5.5
55.01855	2.7
55.05512	17.8
57.07065	8.5
65.03935	3.7
67.05177	3.0
67.05507	39.6
69.03441	2.4
69.06734	2.6
69.07076	32.8
70.06587	8.1
70.38168	1.7
71.05003	3.0
71.50749	3.6
77.42640	1.7
79.05495	24.1
81.03400	2.0
81.06589	4.0
81.07060	78.1
83.04987	4.0
83.08618	14.1
84.04506	2.7
84.08158	5.2
85.02908	4.3
85.06577	1.7
91.05484	24.4
93.07050	58.3
95.04985	3.9
95.08613	100.0
97.02896	2.0
97.06545	6.0
97.10160	9.0
103.05474	2.3
105.04549	1.7
105.07032	45.8
107.04931	2.2
107.08596	83.6
109.06534	5.4
109.10161	80.2
111.08086	4.9
111.11737	5.0
115.05529	2.2
117.06997	5.8
119.08587	52.2
121.10149	62.0
123.08053	2.4
123.11723	30.4
125.09637	4.7
128.06207	2.3
129.10245	3.6
131.08560	9.5
133.10132	49.3
133.12073	1.9
135.08160	2.5
135.11700	46.1
137.13275	15.0
143.08557	5.6
145.10138	15.0
147.11699	40.1
149.13266	35.9
151.07533	3.1
151.11249	3.5
151.14842	2.8
157.10129	3.8
159.11694	19.2
161.06017	3.5
161.09615	3.7
161.13278	38.0
163.14838	25.7
165.12799	3.5
166.06261	2.6
167.07013	13.1
171.11723	3.6
173.13272	10.4
175.07578	2.4
175.14818	17.9
177.05411	2.2
177.16400	11.6
179.14359	6.0
183.11646	2.2
185.13205	4.0
187.14810	12.0
189.16374	28.1
191.06903	1.9
191.17952	43.3
199.07567	3.3
199.14851	5.1
201.16360	11.9
203.17976	37.7
205.19545	12.5
207.17484	8.1
213.16438	2.4
215.17941	10.8
217.19518	38.2
219.17429	4.7
219.21036	2.4
221.19052	3.0
229.19467	5.4
231.21140	4.2
233.18974	8.0
239.09140	3.1
243.21056	5.2
245.22554	5.6
255.21117	2.6
257.22604	5.3
259.24194	3.0
271.24222	4.7
283.36322	2.2
285.25854	3.3
289.08676	2.6
290.09427	2.3
291.10196	3.1
297.25696	3.3
306.08984	2.3
315.27048	2.6
319.09711	4.6
320.10464	2.4
321.11050	5.4
336.13654	2.8
337.10526	2.9
344.00314	2.1
351.12286	10.9
352.13046	7.0
367.33481	2.9
404.22678	2.5
407.36887	23.2
425.16199	2.4
425.21451	7.1
425.37973	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	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03947	3.1
55.05297	2.0
55.05510	20.1
57.07066	5.1
59.32214	2.1
65.03945	3.0
67.05512	38.6
69.03440	4.2
69.06724	3.3
69.07070	32.1
70.06605	10.5
71.04974	2.6
71.50876	2.3
71.51618	2.5
72.08141	4.1
73.83752	2.1
79.05505	21.9
81.06596	4.3
81.07063	67.2
83.04979	4.1
83.08630	11.4
84.08154	5.2
85.02916	2.5
91.05487	23.9
93.07049	50.6
95.04934	4.4
95.08615	100.0
97.06512	4.8
97.10175	5.0
98.97561	2.3
105.06403	3.4
105.07039	43.5
107.08605	77.4
109.02887	3.1
109.06491	4.6
109.10162	90.7
110.07249	2.3
111.08060	4.5
111.11705	4.7
115.05460	2.7
117.07028	4.8
119.07821	2.9
119.08600	51.3
121.10148	61.4
123.08080	5.0
123.11718	28.8
125.09641	3.4
127.03898	3.3
127.11177	3.1
129.10213	2.5
131.08557	13.6
133.10153	33.7
135.08011	2.3
135.11708	49.8
137.09598	2.8
137.13249	18.0
143.08482	3.0
145.10184	15.1
147.11703	47.0
149.13277	33.8
151.07463	2.5
151.11195	4.8
151.14793	3.9
157.10098	4.6
159.11711	15.4
161.05969	3.6
161.13255	39.6
163.14848	26.5
165.12724	2.8
167.06996	10.6
171.11670	3.4
173.13286	12.2
175.11147	3.2
175.14841	15.7
177.05528	3.1
177.16396	12.2
179.14311	6.5
185.13338	3.0
187.14827	9.7
189.16415	30.5
191.17958	44.2
199.07556	2.9
199.14841	5.2
201.16467	7.6
203.17960	36.6
205.15961	2.4
205.19533	9.4
207.17424	8.4
213.16454	2.5
215.17979	10.8
217.19528	29.9
219.17447	3.7
219.21051	3.3
221.19049	3.2
227.17824	2.9
229.19565	2.4
230.05449	2.7
231.21213	3.1
233.19043	7.5
241.19484	4.0
243.21078	4.1
245.22614	5.1
257.22498	5.1
259.24243	3.5
271.24231	2.6
291.09921	2.7
297.25674	3.2
305.11566	2.6
319.09793	3.3
321.11194	3.4
351.12277	9.2
352.13095	5.2
407.36832	20.2
425.15707	6.7
425.21506	4.9
425.38095	55.5
435.98026	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3783
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.15319	2.0
55.01875	2.3
55.05515	19.0
57.07074	9.1
58.58342	2.0
64.54496	1.9
65.03941	2.7
67.05511	38.8
69.03416	3.8
69.07077	33.5
70.06590	7.1
70.70792	6.4
71.04994	3.1
71.08633	3.5
79.05499	24.5
81.07060	86.4
83.04995	3.9
83.08630	12.7
84.08135	3.8
91.05486	25.6
93.07050	57.9
95.04969	5.3
95.08613	100.0
97.06523	4.8
97.10176	8.6
105.07038	48.8
107.04945	3.6
107.08600	78.3
109.02850	2.3
109.06530	3.6
109.10164	72.9
111.08089	5.6
111.11725	3.9
117.07027	4.1
119.08591	47.3
121.10149	61.6
123.08157	3.3
123.11710	35.5
125.09634	4.5
127.11189	2.9
131.08585	12.8
133.10136	30.1
135.11705	41.9
137.05974	3.5
137.09615	2.4
137.13263	15.7
143.08554	3.9
145.10110	16.9
147.11694	38.0
149.13272	40.5
151.14838	4.0
157.10127	3.8
159.11703	16.3
160.57419	2.1
161.13272	35.0
163.14832	22.5
165.09070	3.5
165.12856	5.7
167.07016	2.3
171.11748	3.5
173.09593	2.0
173.13249	12.2
175.14836	22.1
177.16429	15.7
178.66788	2.2
179.12614	2.1
179.14375	2.2
185.13298	5.1
186.13824	2.5
187.13390	2.1
187.14778	10.4
189.16377	20.0
191.17960	51.2
191.19621	3.5
199.14819	3.5
201.16396	9.7
203.17969	21.8
205.15955	2.7
205.19565	7.7
207.17494	6.2
213.16443	2.3
215.17952	6.1
217.19505	29.2
219.17461	4.8
219.21193	2.2
229.19449	4.3
231.21112	2.7
233.19023	8.9
235.20546	4.7
243.21082	4.6
257.22656	5.3
259.24341	2.3
271.24316	2.6
325.28577	2.6
367.33484	3.1
386.70309	2.4
407.36859	12.6
425.16269	3.5
425.38202	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.0
57.03422	3.0
57.06831	1.7
57.07079	19.9
62.05799	1.4
62.06095	19.1
67.05492	4.8
69.07063	4.6
70.06582	1.6
71.08639	14.0
71.51069	2.0
72.37484	1.2
81.07059	6.8
83.08625	2.3
83.60311	1.2
85.10186	6.7
93.07025	2.0
95.08604	11.5
98.98479	4.1
105.07001	1.6
109.10142	4.8
116.10763	2.2
119.08522	1.2
120.74702	1.4
120.80717	1.4
133.10152	1.3
155.00989	5.9
196.53362	1.2
198.05220	1.7
208.74113	1.4
211.20598	2.2
211.28764	1.2
214.17999	8.9
216.06509	1.5
254.24757	9.3
285.24265	100.0
286.24698	2.8
365.20932	6.4
407.94516	1.5
408.24997	1.6
412.70825	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.6
55.01862	1.6
59.15652	1.1
60.99670	1.2
66.23083	1.3
69.03428	2.3
70.06600	6.0
71.50982	1.2
79.05486	4.0
81.03403	1.8
81.07059	4.2
86.09702	2.5
91.05481	5.1
93.07080	1.4
94.04181	4.7
94.88297	1.1
95.04973	2.5
103.05472	2.9
105.07031	9.5
107.04969	2.2
107.08598	2.4
109.06492	1.9
115.05463	3.5
116.58250	1.3
119.08582	2.2
119.73363	1.2
120.08123	2.4
121.06573	1.3
122.03664	10.4
123.04478	1.5
128.06210	2.2
129.06978	1.8
131.04889	3.7
133.06525	2.4
137.05986	100.0
138.06281	1.2
141.07018	1.7
146.03661	1.9
147.04424	2.5
159.11734	1.2
161.06000	24.5
167.07045	2.4
169.06407	1.3
171.08038	1.4
177.05415	1.5
184.05243	2.1
187.07520	1.3
191.08516	2.8
199.07549	17.2
202.07774	11.0
203.08577	15.9
205.06578	1.9
207.13779	1.3
215.08537	1.7
219.07988	5.8
220.08879	5.8
230.07356	1.5
231.08073	23.0
232.08801	3.9
235.11143	2.3
247.07541	4.6
247.92221	1.5
248.08310	12.0
249.09006	2.0
259.07571	16.6
260.08353	7.0
263.10678	13.3
263.48251	1.3
265.08688	1.5
275.06985	2.6
276.07800	7.9
277.08649	2.9
280.10883	1.4
280.17477	1.2
291.10144	46.0
292.10913	4.5
293.08139	2.9
295.09604	1.4
308.10461	3.0
323.12762	35.9
346.23959	1.3
427.13318	1.7
427.18985	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	427.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54781	0.7
53.03942	0.8
55.01876	0.8
66.04720	0.7
67.05492	1.2
69.07081	0.7
69.21974	6.5
70.06596	0.8
79.05483	2.4
81.07056	2.7
85.02913	1.1
91.05488	3.4
93.07055	1.2
94.04205	4.8
95.08604	2.0
103.05476	2.1
105.07031	6.7
107.04952	2.2
107.08561	1.5
109.06538	2.7
109.10179	1.2
110.51353	0.7
114.56582	0.7
115.05470	3.0
118.04152	1.4
119.05026	0.8
119.08579	1.0
122.03661	10.3
127.03942	1.0
128.06224	2.8
131.04973	0.7
133.06512	4.2
137.05984	100.0
141.06990	2.0
145.10167	0.7
146.03630	3.1
147.04457	1.2
149.05994	1.9
150.67911	0.6
155.56219	0.7
156.05707	1.0
161.05995	25.2
165.07014	0.8
167.07085	1.4
168.05743	0.9
171.08072	1.2
177.00121	0.8
184.05232	2.4
185.06062	0.8
187.07509	0.9
189.05336	0.8
189.16406	0.9
191.08531	3.3
192.09340	1.4
199.07567	18.2
202.07788	9.6
203.08569	12.1
204.09250	1.3
205.06520	2.1
215.08450	1.2
219.08037	5.2
220.08852	3.9
221.09601	1.0
230.07176	0.8
231.08066	18.9
232.08824	4.8
235.11258	1.6
237.09171	1.2
247.07607	2.6
248.08363	11.7
249.09071	1.5
258.06866	1.4
259.07553	14.2
260.08331	5.4
261.09058	1.4
262.09930	1.3
263.10709	9.5
265.08609	1.0
273.08954	0.8
275.07092	1.6
276.07819	7.8
277.08655	3.5
291.10165	44.3
292.10776	4.5
293.08102	3.0
295.13370	2.1
308.10559	2.4
323.12778	19.7
427.35779	1.8
440.79358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.01877	11.6
55.05502	6.5
57.03420	6.4
57.07068	1.8
61.02927	8.4
67.05184	2.3
67.05508	24.3
69.03427	4.2
69.07073	12.8
69.25648	12.7
71.04980	2.3
73.02905	1.8
74.27913	1.5
79.05499	22.2
81.03419	52.4
81.07061	30.5
83.04970	4.0
83.08601	5.4
83.72376	1.8
85.02898	2.3
85.06521	2.8
91.05487	22.9
93.07050	26.6
95.01357	4.2
95.04974	20.3
95.08611	20.0
97.02908	3.6
97.06522	6.5
97.10143	2.7
101.02359	1.8
105.07037	18.4
107.04976	14.0
107.08594	12.0
109.02885	4.1
109.06538	7.0
109.10140	4.5
111.04449	2.4
111.08098	1.8
113.02369	1.6
117.07035	9.5
119.03433	2.0
119.04906	3.6
119.08591	16.6
121.02876	2.2
121.06514	19.7
121.10149	9.4
122.67989	1.6
123.04427	3.9
123.08070	5.3
123.11788	1.5
125.02381	4.6
125.42540	1.5
129.06993	11.7
131.04948	1.9
131.08595	10.8
133.06485	5.7
133.10138	11.8
135.04445	5.5
135.08043	7.2
135.11702	4.9
137.05978	4.5
139.03946	2.3
141.01775	1.8
143.08580	7.7
145.06520	4.6
145.10150	9.6
147.04405	7.4
147.08083	8.5
147.11687	4.6
149.05988	4.1
149.09633	2.1
149.13277	5.3
151.04005	1.9
151.07535	4.1
157.10223	2.6
159.07994	3.0
159.11711	8.4
161.05957	1.8
161.09647	3.4
161.13277	9.1
163.03893	4.8
163.07573	1.9
163.11185	1.9
169.10207	2.1
171.11694	13.4
173.06044	1.7
177.12730	13.8
179.14307	3.0
183.11728	2.0
187.11150	3.1
189.12790	8.0
191.14349	2.1
197.13396	1.9
199.11261	1.6
201.12646	2.0
205.12291	5.0
207.13812	56.4
215.14378	3.0
219.13806	2.3
233.15398	4.0
243.13869	3.4
261.14828	19.6
269.13831	2.4
271.13266	2.7
279.15921	6.2
289.14346	40.6
291.15958	3.9
299.12668	2.2
307.15411	44.6
317.14111	1.6
325.16464	36.1
335.14871	21.5
353.15936	11.6
363.18030	2.0
365.89291	1.5
381.19275	5.4
427.19662	100.0
428.19830	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38927	2.1
53.03936	9.8
54.89573	1.8
55.01867	7.7
55.05516	42.2
57.03428	7.0
57.07083	24.9
59.05017	2.2
65.03929	2.4
67.05510	68.5
69.03429	27.1
69.07076	65.3
71.01333	4.4
71.04990	7.6
71.08638	18.7
73.02925	2.4
74.06513	1.8
79.05493	38.7
81.03423	71.0
81.07061	94.1
83.04553	2.0
83.04985	11.8
83.08622	46.3
85.02905	16.7
85.06533	4.7
85.10168	4.9
87.04460	2.4
90.61216	2.1
91.05488	30.0
93.07050	60.7
95.04990	10.2
95.08614	100.0
96.08952	2.2
97.02917	18.5
97.06535	10.5
97.10175	28.7
99.04458	10.8
99.08113	2.5
105.04549	2.0
105.07038	31.0
107.04945	5.3
107.08590	38.6
109.02873	9.3
109.06535	6.7
109.10161	39.9
111.04450	11.0
111.08099	7.2
111.11720	9.9
113.09657	2.3
117.07011	10.2
119.08585	24.1
121.06518	12.1
121.10155	43.8
123.04415	4.4
123.08086	5.0
123.11717	18.6
125.09637	4.6
125.13321	3.8
127.03924	8.9
129.06982	7.0
131.08582	11.2
133.06531	4.6
133.10139	17.8
135.08073	5.7
135.11700	34.5
137.09608	4.3
137.13242	14.4
139.07510	3.2
139.11197	3.0
141.07054	2.5
141.12749	2.5
143.08620	5.2
145.04942	4.0
145.10162	12.4
147.08073	5.3
147.11716	7.9
149.09633	3.0
149.13261	19.2
151.07616	3.4
151.14882	4.5
153.12737	3.3
157.10101	5.2
159.11726	11.4
161.13268	9.2
163.14859	10.1
165.09198	3.2
169.10077	2.8
170.37462	2.2
171.11716	8.9
173.11852	2.7
173.13289	7.6
175.14735	4.1
176.76785	1.9
177.16432	6.0
181.15974	2.4
185.13246	2.5
187.14851	4.3
189.12885	3.3
189.16371	4.8
191.14355	3.4
191.18007	6.3
199.14856	2.4
201.12897	2.3
201.16438	4.0
203.18034	5.2
205.15938	2.5
205.19540	4.3
207.13811	5.0
215.18027	3.1
217.15993	2.1
217.19563	2.0
219.17506	3.3
221.15320	2.4
227.17908	2.2
229.32224	3.3
233.15401	4.0
233.19008	3.6
237.18384	2.4
245.19028	2.9
245.22774	2.4
247.24292	10.2
257.93335	2.2
261.14722	4.0
263.23956	2.1
265.25253	24.3
275.23984	3.5
289.25095	2.7
293.24817	4.5
305.24802	6.1
307.15344	2.3
307.26547	2.4
319.26413	3.7
323.25925	3.9
324.32614	9.7
331.26392	4.6
345.27991	5.4
349.27435	6.1
355.26270	8.5
363.29010	2.8
373.27377	31.3
391.28506	21.3
409.29453	13.9
409.34433	4.7
427.19485	6.7
427.30887	5.2
427.35812	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	427.394
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05512	12.0
57.07082	11.1
57.72086	1.4
61.64774	1.4
65.03960	1.7
67.05520	21.0
69.06734	1.8
69.07078	26.0
69.92797	2.1
69.93199	5.2
71.08640	3.1
72.62388	1.7
79.05497	8.7
81.07066	68.5
83.08626	12.4
85.82394	1.4
90.19224	1.8
91.05459	4.5
93.07056	17.3
95.08614	100.0
97.10172	5.9
98.20773	1.8
105.07034	9.4
107.08599	25.5
109.10168	46.3
111.08015	1.5
111.11715	5.8
119.08574	12.5
121.10163	22.1
123.11712	25.7
125.13257	1.4
131.08546	1.9
133.10135	9.2
133.93358	1.3
135.11714	16.8
137.09543	1.8
137.13266	48.2
139.11191	2.5
141.10602	1.5
145.10143	5.1
147.11665	9.3
149.09648	2.1
149.13268	16.5
151.14824	5.2
159.11687	4.7
161.13266	10.8
163.14830	12.0
165.09114	5.1
173.13295	3.9
175.14825	5.4
177.16379	6.6
179.14365	3.3
179.18050	1.9
187.14821	3.8
189.16382	5.5
191.17984	7.0
193.15874	2.2
193.19513	2.9
201.16411	3.5
203.17984	5.4
205.19507	6.4
207.17474	2.1
215.17950	2.5
217.19487	4.3
219.20985	2.5
229.19481	4.6
231.21010	3.9
247.20613	3.4
257.22647	2.4
259.24213	6.4
271.24191	3.8
275.23636	2.8
285.25766	4.6
303.26782	1.9
409.38495	15.2
427.39688	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	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05507	10.5
57.07082	7.8
67.05507	29.8
69.07072	24.5
70.69564	5.1
71.08621	3.1
79.05508	10.6
81.06593	2.6
81.07059	53.8
83.08609	11.3
91.05476	6.0
93.07040	21.3
95.08608	100.0
96.08930	2.2
97.10170	8.6
105.07036	11.1
107.08595	36.9
108.08888	1.7
109.10161	99.2
110.10484	2.4
111.11717	5.5
119.08598	17.2
121.10152	27.3
123.08072	1.7
123.11710	32.4
131.08572	1.9
133.10133	11.0
135.11697	22.6
137.13261	23.0
139.11197	1.7
145.10135	3.4
147.11703	9.7
149.13258	20.4
151.07590	3.8
151.14803	3.6
159.11629	3.2
161.13283	14.6
163.14812	18.3
165.12747	3.0
167.06984	2.0
175.14774	6.3
177.16362	9.8
179.14281	11.5
187.14845	1.7
189.16411	7.7
191.17958	19.1
193.19502	1.8
197.01178	3.1
198.99115	5.5
201.16464	1.5
203.17957	10.6
205.19501	23.3
207.17427	2.6
210.98856	1.6
213.00668	8.5
214.98663	13.3
217.19539	6.6
219.21120	7.8
221.18910	2.0
229.00140	19.6
229.19463	2.8
230.98129	3.5
231.21169	2.9
232.99641	5.8
247.01250	3.9
257.22598	2.4
265.07370	2.0
281.06689	1.8
331.54807	1.8
339.30417	1.9
375.34863	1.7
389.69693	1.6
409.38452	10.6
427.25177	20.2
427.39594	33.3
428.25629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
55.05511	18.5
57.07062	7.1
67.05508	25.9
69.07072	42.2
71.04981	7.3
71.08622	4.1
71.12028	5.0
74.89523	2.0
79.05489	11.7
81.07062	50.5
83.08621	16.8
85.06548	46.7
91.05475	6.3
93.07050	21.7
95.08612	89.7
97.06521	7.0
97.10154	9.7
99.08087	3.4
105.07040	10.4
107.08597	42.8
109.10165	100.0
111.08064	2.8
111.11742	16.3
113.09624	6.4
119.08575	12.3
121.10154	36.5
123.11711	30.3
133.10141	14.8
135.11697	28.2
137.13268	19.0
143.62975	2.7
147.11690	11.5
149.12318	2.3
149.13283	20.1
153.12784	2.5
161.13251	13.0
163.14841	12.8
165.09113	7.5
175.14828	9.5
177.16368	9.5
179.17960	2.3
181.15816	2.1
189.16403	4.0
191.17920	13.0
203.17961	11.1
205.19524	33.4
209.18951	4.0
217.19507	14.8
219.21259	5.2
221.18922	10.4
229.19560	2.4
231.21002	6.3
235.20566	8.6
245.22607	8.0
261.32895	2.5
271.24225	3.0
274.25543	2.5
289.25214	3.7
299.27344	4.3
313.28870	4.5
357.31482	3.6
409.38397	3.3
427.39615	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3937
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
50.36809	2.0
55.05297	2.3
55.05513	22.3
56.51594	2.0
57.07062	10.6
62.54523	2.2
67.05504	41.1
69.07072	61.1
69.86221	13.3
71.08636	3.0
75.77822	2.2
79.05505	20.2
80.53623	2.4
81.06598	4.8
81.07059	97.0
83.08624	20.2
85.06532	3.6
91.05464	7.7
93.07042	39.8
95.08610	100.0
97.10167	17.5
105.07024	16.2
107.08601	41.4
109.10160	73.8
111.11726	32.7
119.08558	12.3
121.10166	38.0
123.11723	40.7
133.10107	15.4
135.11691	31.6
137.13263	22.2
139.11130	3.0
145.10146	4.5
147.11678	16.7
149.13246	30.0
151.11201	5.6
151.14777	3.5
159.11725	2.9
160.90645	2.0
161.13254	10.5
163.14835	16.2
165.16328	2.7
167.14307	4.0
173.13321	3.5
175.14793	9.0
177.16422	13.1
179.17982	2.8
187.14723	3.0
189.16348	7.7
191.17981	13.4
195.17513	4.3
201.16409	3.4
203.17972	10.8
205.19600	6.5
217.19498	9.2
229.19531	4.2
231.21036	6.4
235.20563	4.2
245.22614	2.9
257.22647	3.6
285.25894	3.3
301.52921	2.5
327.30496	4.9
345.31479	4.5
409.38342	17.9
427.39413	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.394
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
53.03935	4.1
54.60524	3.3
55.05286	3.2
55.05512	25.6
55.47137	3.3
57.07061	11.5
66.32716	3.4
67.05511	36.0
69.07073	45.1
71.04980	11.6
71.52103	4.4
79.05490	15.3
81.07060	90.2
83.08624	26.3
84.84083	3.3
85.06523	3.4
85.10175	4.3
91.05459	7.8
93.07042	47.4
94.23104	3.7
95.08607	100.0
97.10161	14.6
105.07025	14.1
107.08589	54.9
109.10162	98.6
111.11681	6.6
119.08588	25.3
121.10156	49.2
123.11712	44.7
127.11179	12.2
133.10175	16.6
135.11690	46.7
137.09538	4.1
137.13277	23.7
141.12805	5.0
147.11725	17.1
149.09642	6.3
149.12218	3.8
149.13278	45.4
149.17720	3.2
151.14864	8.4
153.12727	6.3
159.11702	5.8
161.09523	3.8
161.13271	15.0
162.45920	4.9
163.11147	4.8
163.14865	26.5
165.09135	32.8
175.11169	6.2
175.14844	14.6
177.09247	3.8
177.16400	25.8
189.09158	5.1
189.12688	7.1
189.16422	10.2
191.17926	12.7
193.15941	3.6
203.10646	20.5
203.18024	8.2
205.19524	5.1
217.19495	15.2
221.19179	4.2
231.13831	8.5
231.21062	13.9
246.95901	3.8
257.22546	3.7
259.24112	8.5
341.32001	6.3
357.31750	3.6
364.36426	3.4
398.66013	3.5
427.34811	10.2
427.40207	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3938
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
51.02374	2.4
53.03936	2.7
55.05511	14.8
57.07067	10.7
67.05504	31.4
69.07068	38.9
69.56512	7.7
69.56938	6.5
71.08616	4.5
79.05506	17.6
81.07061	71.5
83.08620	18.4
85.06500	2.5
91.05495	14.4
93.07047	49.7
95.08611	100.0
97.10179	15.8
105.07045	21.9
107.08595	78.3
107.09317	5.4
109.06499	2.6
109.10162	87.1
111.08061	3.8
111.11720	7.0
115.93404	2.2
119.08580	31.4
121.10147	51.0
123.08101	3.6
123.11710	42.6
125.13255	2.7
131.08586	3.0
133.10135	19.0
135.11699	49.0
137.13272	14.5
145.10123	9.9
147.11693	19.1
149.13271	52.4
151.14807	5.4
159.11752	5.7
161.13240	25.5
163.14844	31.2
165.12767	5.3
167.07086	3.2
173.13252	3.8
175.14888	11.5
177.16370	9.2
179.14325	22.1
187.14822	5.0
189.16402	11.3
191.17943	39.9
194.19456	2.8
201.16478	3.7
203.17938	22.9
205.19528	14.1
207.17387	7.3
215.17969	8.3
217.19548	14.0
219.21169	8.6
243.20892	3.0
247.24217	4.3
286.85999	2.8
299.27289	3.6
409.38422	21.1
427.28183	10.7
427.34177	11.5
427.39551	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	427.3943
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
50.89317	1.7
53.03938	2.8
54.80284	1.5
55.05513	20.9
57.07075	10.8
59.04988	2.8
65.03934	1.9
66.82220	1.6
67.05507	32.4
69.07069	40.4
70.96406	3.4
70.96767	2.3
71.08618	4.7
76.76445	2.0
79.05489	21.6
81.07059	71.4
81.07531	4.5
82.07385	2.3
83.08621	16.9
85.10208	2.8
91.05489	13.9
93.06482	3.8
93.07042	48.4
94.07382	2.9
95.04943	2.3
95.08611	100.0
96.08932	2.7
97.06559	3.9
97.10164	12.1
102.22958	1.8
105.07024	20.3
107.08602	73.9
108.08893	2.4
109.06525	2.2
109.10162	73.2
110.10472	5.0
111.08109	2.5
111.11711	8.2
119.08588	26.7
120.08939	2.0
121.10139	45.6
122.10542	3.1
123.08080	2.4
123.11716	33.7
125.13273	2.7
131.08612	3.1
133.10144	18.2
135.11694	47.9
136.12030	4.0
137.13287	16.3
139.11136	1.9
145.10115	6.7
146.46590	2.2
147.11693	15.6
149.13258	47.5
150.13585	3.3
151.11209	2.6
151.14877	3.0
152.56265	1.9
159.11711	7.4
161.13269	21.3
163.14825	33.8
165.16411	2.2
173.13258	5.4
175.14819	8.5
177.16399	8.0
179.14308	13.5
187.14832	5.4
189.16417	10.6
191.17949	35.8
201.16406	4.2
203.17978	17.3
205.19580	10.9
207.17451	8.1
215.17921	8.5
217.19481	15.2
219.21097	9.3
231.21126	3.2
247.24066	2.0
257.22656	3.9
261.25812	2.5
268.14575	1.7
294.62296	2.2
299.27145	2.6
395.93826	1.9
409.38361	19.0
427.39468	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	428.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93522	13.1
57.03437	13.5
69.03440	22.5
70.06604	52.9
71.01955	21.5
71.32894	9.8
72.08165	11.6
75.53039	11.1
78.28329	10.3
81.03436	12.9
83.04987	43.9
83.53694	9.7
83.75980	9.0
84.08150	29.7
85.02901	68.7
86.09694	16.3
97.02899	20.9
97.06531	11.3
98.32055	10.2
98.97612	11.4
103.68796	10.5
107.04978	16.6
108.68157	10.1
109.02841	10.4
110.07180	25.9
110.27290	10.0
111.04441	51.1
119.04949	33.4
121.06509	15.6
125.05996	42.3
127.03948	21.1
129.05457	11.1
129.10257	13.6
132.95876	11.0
143.07042	32.5
145.04980	16.8
147.04489	15.9
149.06000	27.3
156.07692	16.1
159.06477	12.6
167.07042	67.5
185.08081	32.4
199.09692	36.4
217.10706	100.0
237.02821	9.5
249.13405	24.5
378.63422	11.5
399.03650	14.9
446.46594	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	429.3003
Annotation	Kuguacin D
Peak:m/z	Relative Intensity
53.03935	3.5
55.05505	8.6
57.07082	3.4
59.82297	3.0
60.66726	3.0
67.05490	14.3
69.03411	7.7
69.07059	16.5
71.51174	5.1
73.48808	3.3
79.05478	11.7
80.58281	3.6
81.07050	29.2
83.04993	5.0
83.08611	9.4
85.06570	4.6
91.05470	18.6
93.07047	37.9
93.15107	3.8
95.04960	6.5
95.08604	45.1
97.06547	7.4
97.10214	4.2
105.06391	5.0
105.07034	40.4
107.04957	10.1
107.08598	51.2
109.06526	5.9
109.10165	32.7
111.08074	5.1
113.00030	5.3
117.07001	6.7
119.08602	42.3
121.06504	8.7
121.10152	40.0
123.04433	4.1
123.08049	10.3
123.11684	15.1
129.06952	4.6
131.08556	11.4
133.06520	4.6
133.10127	46.6
135.08009	4.7
135.11688	37.4
137.05977	4.7
137.09547	5.2
139.11182	3.6
142.07849	4.5
143.08612	16.7
145.10144	24.2
147.08046	11.0
147.11697	21.5
149.02361	40.4
149.09642	4.8
149.13266	8.1
151.11197	6.9
157.10127	8.7
159.08070	7.0
159.11723	27.9
161.09621	30.5
161.13217	15.5
163.11227	8.8
165.09145	3.7
169.02574	5.2
171.11713	10.0
173.09676	9.2
173.13307	5.6
175.11211	31.7
175.14839	4.8
177.09175	4.8
177.12782	11.5
183.11690	5.4
185.13286	8.2
187.11205	8.6
187.14844	9.7
189.09135	12.7
189.12737	8.5
189.16385	11.1
191.10628	4.9
191.17931	23.8
193.04997	28.3
197.13268	5.7
201.12746	4.6
201.16379	17.6
203.10666	30.6
203.14299	3.8
203.17993	23.7
205.12289	6.4
209.13127	4.9
215.14320	4.6
217.15982	4.5
221.11662	7.1
237.07707	5.4
241.15768	3.4
297.18405	4.1
341.06720	4.9
351.22913	3.6
365.28391	12.9
375.26746	12.2
383.29306	28.1
385.09174	13.4
393.27936	75.7
397.14182	4.2
411.28964	74.5
429.11700	24.6
429.30057	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05502	3.6
57.07081	20.1
65.94118	0.7
67.05515	5.4
69.07069	4.8
69.15283	7.5
71.08637	10.5
79.05482	2.1
81.07066	7.0
83.04971	1.3
83.08616	2.6
85.10194	5.2
91.05472	2.5
93.07030	3.0
95.08619	6.6
97.10175	1.9
97.19660	0.9
99.76358	0.8
105.07053	3.0
107.08607	6.0
109.06529	0.9
109.10165	6.7
111.04462	1.2
111.11674	1.2
119.08603	2.5
121.06466	1.0
121.10143	4.2
122.07269	1.2
123.08123	1.1
123.11709	1.5
131.08612	1.3
133.10115	2.0
135.08099	5.0
135.11720	2.1
137.09624	9.4
139.07542	1.7
143.39706	0.8
145.10129	2.3
149.09634	12.6
151.07671	0.8
159.08067	1.0
159.11719	3.2
161.09663	0.9
162.06636	0.9
163.07553	1.4
163.11189	21.6
165.09123	100.0
166.09508	1.4
173.09645	2.8
173.13229	2.0
175.07510	1.3
175.11212	5.3
176.08363	1.7
177.09131	11.7
177.12769	1.7
179.10699	1.5
186.10374	0.9
187.11197	3.6
189.12753	1.9
190.09929	1.0
191.10695	10.4
191.14543	0.9
200.12109	1.3
201.12747	3.7
203.10747	2.0
204.11568	1.4
205.12239	9.6
215.14235	1.9
219.13857	5.2
227.34402	1.1
233.15419	3.2
240.09508	0.8
247.16891	0.9
261.18417	1.0
275.20004	0.9
276.21793	0.8
289.21408	1.2
303.23178	1.6
317.24640	1.5
359.29645	1.1
373.31268	1.8
401.34128	2.2
411.36087	1.8
429.32385	1.3
429.37311	36.0
429.43219	1.7
430.37958	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	429.3729
Annotation	all-rac-3,4-Dehydro-alpha-tocopherol
Peak:m/z	Relative Intensity
55.05512	4.3
57.07079	12.2
59.33727	0.8
67.05248	0.7
67.05514	8.5
69.07073	11.9
71.08641	9.2
71.12277	1.7
73.04767	1.3
79.05499	7.0
81.06587	1.7
81.07058	25.6
83.08635	4.9
85.06555	1.4
85.10185	4.7
91.05476	2.5
93.07047	8.2
95.04961	1.4
95.08612	24.7
97.06504	1.4
97.10164	5.9
105.07042	5.4
107.04961	3.3
107.08602	9.5
109.06496	1.0
109.10159	11.8
111.11700	2.7
117.07019	1.2
119.08568	4.2
121.06486	4.2
121.10149	6.3
123.08110	1.2
123.11731	5.4
125.05978	1.5
129.07008	1.0
131.08553	3.5
133.10184	5.3
135.08034	2.2
135.11726	5.9
137.09612	3.3
137.13274	2.6
142.07736	0.9
145.10139	5.3
146.87328	0.8
147.08102	1.0
147.11694	5.6
149.09608	5.1
149.13246	3.5
151.14827	1.5
155.08606	1.0
157.10123	4.7
159.07974	0.9
159.11719	6.2
161.09550	1.8
161.13271	2.3
163.11209	7.2
163.14835	2.4
164.08322	1.9
165.09116	26.9
165.10527	1.3
169.10141	1.1
171.11713	2.4
173.09605	1.7
173.13271	2.7
175.11208	10.8
177.09140	2.8
177.12811	1.6
177.16380	1.7
183.11751	1.1
185.13393	1.2
187.11140	1.2
187.14801	2.0
189.12740	2.0
191.10690	3.3
195.61655	0.8
197.13275	2.1
197.67442	0.8
199.14903	1.1
201.12785	2.3
201.16397	1.5
203.14304	1.0
205.12242	2.5
205.19524	1.0
211.14877	1.4
215.14398	1.2
217.15968	0.9
225.16327	1.4
229.15851	1.8
231.17397	1.0
239.17931	1.5
243.17542	1.0
253.19547	2.2
271.20639	1.1
331.29861	1.1
365.35657	1.0
393.35156	3.0
411.36240	8.6
429.37283	100.0
430.37936	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	430.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01245	0.6
55.05519	0.8
56.08651	0.8
57.03429	0.7
59.13000	0.7
67.05499	0.7
69.07060	0.8
70.06593	3.4
71.05009	1.2
71.50515	1.4
72.08141	2.1
74.06064	0.8
74.23759	0.6
79.54401	0.7
84.04501	1.3
84.08139	2.8
85.02905	2.2
86.09714	13.1
91.05482	15.0
97.02924	0.8
98.97578	1.5
107.04896	0.8
109.02853	0.7
109.99088	0.7
119.04945	27.9
120.08096	1.0
129.10266	2.3
131.11769	1.4
136.07664	0.8
147.04417	100.0
148.04784	1.7
174.13446	0.7
177.57976	0.7
189.12503	1.1
225.12430	0.9
242.15033	2.6
288.82391	0.7
430.17780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25622	0.3
53.08956	0.3
59.05001	0.5
65.03939	1.5
69.07062	0.4
69.93449	1.4
70.06605	2.0
72.08150	1.5
84.08144	0.9
86.09711	3.1
91.05489	14.3
96.20689	0.3
107.58276	0.3
119.04952	30.0
129.10255	1.3
136.06168	0.3
143.11842	0.6
147.04420	100.0
148.04771	1.2
251.18840	0.4
266.65714	0.3
283.06018	0.3
299.05453	0.4
376.00751	0.4
391.10062	0.3
402.75507	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01863	2.5
55.05511	2.3
57.03439	11.2
61.02916	2.5
67.05468	0.9
68.99771	0.8
69.03439	11.5
69.72227	0.6
69.72540	5.3
71.01350	1.8
71.04996	60.7
73.02917	4.3
75.04475	3.4
81.03420	11.0
83.04983	11.6
84.04465	1.0
85.02910	100.0
87.00830	11.9
87.04449	2.1
95.04962	2.2
97.02898	10.6
99.04443	4.3
103.03960	4.3
105.01877	19.3
107.04940	1.4
109.02885	12.3
111.04445	11.6
113.02390	1.4
115.03867	1.0
115.15562	0.8
117.01851	1.3
121.06552	0.8
123.04465	1.2
125.02313	1.3
127.03923	24.4
129.01830	2.2
129.05487	28.5
135.04401	1.3
139.03917	1.7
145.04962	9.9
146.08054	1.0
147.02867	2.2
147.06529	12.7
151.03883	1.5
153.05507	1.2
159.02893	3.1
164.09189	8.6
171.02914	1.0
171.06409	1.8
181.04956	1.8
183.06516	0.9
189.04016	5.9
191.07088	1.1
195.06567	2.0
213.03999	5.8
213.07538	1.4
215.05466	1.2
219.06456	1.7
231.05040	8.5
237.07547	8.6
249.06088	3.4
255.08690	4.8
273.06137	1.8
284.09723	1.5
315.10800	3.7
337.15594	1.1
341.08777	3.1
359.09680	3.1
377.10602	2.5
431.73022	0.9
439.58591	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03443	1.4
59.80553	0.2
61.02914	0.5
69.03442	1.4
69.83675	0.9
70.06592	1.1
71.01357	0.5
71.05000	0.4
72.08141	0.4
73.02922	1.0
73.04740	0.3
81.02986	0.4
81.03422	4.0
84.04498	0.3
84.08141	0.5
85.02914	1.9
86.09663	0.2
87.04470	0.4
94.04065	0.4
97.02889	0.8
98.97576	0.8
101.02377	0.6
105.07017	0.2
107.04948	0.2
111.00765	0.4
115.03934	1.2
116.07087	0.2
118.97031	0.2
119.03551	1.7
120.08114	0.6
127.03962	0.3
129.01865	0.9
133.04970	1.0
136.06194	100.0
137.04573	0.8
137.05884	0.6
137.06683	0.3
143.03374	0.7
145.04893	0.3
147.04393	0.3
152.05656	0.5
156.19382	0.2
157.01344	0.8
158.97462	0.2
161.04497	0.6
166.08658	0.4
171.02953	0.2
177.96140	0.2
183.12314	0.3
189.03967	1.6
207.04996	0.3
216.08907	0.5
219.01808	0.4
233.68008	0.2
268.10361	3.0
273.06104	0.3
298.11588	0.2
353.03168	0.4
360.02695	0.3
377.07098	0.4
395.08453	0.2
430.15359	4.2
430.27808	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.93525	0.6
56.96560	2.2
57.03444	0.9
69.03432	3.7
69.48747	3.8
70.06596	5.5
72.08157	2.1
72.93783	1.9
72.94162	0.5
73.02945	0.8
81.03421	17.0
84.04462	1.0
84.08123	3.7
85.02924	4.4
86.09721	0.8
87.04430	0.6
87.33029	0.7
90.94825	0.9
91.05438	0.7
97.02876	3.2
98.06007	0.6
98.97596	2.7
103.05466	2.1
107.04949	2.7
109.02871	1.0
110.97554	1.3
115.03929	1.0
116.98627	0.9
119.03577	1.8
119.04952	1.0
120.07249	1.2
120.08112	23.3
127.03941	1.0
128.98648	0.9
129.10272	1.2
131.04939	0.9
132.93678	0.5
132.95859	1.7
133.02859	0.6
136.06189	100.0
137.04512	0.9
137.05879	3.9
144.95830	1.9
147.04436	1.7
149.05988	0.8
152.05711	1.7
158.97427	4.7
158.99631	0.6
161.05997	1.0
166.08630	10.5
167.07094	1.4
174.96883	0.8
176.98398	1.5
177.00644	0.7
179.07104	1.0
186.96793	0.8
194.97427	2.3
198.96970	0.8
209.96031	0.7
216.08801	2.5
216.97968	2.1
219.01814	2.0
234.98988	7.9
237.02873	1.8
239.00026	1.6
244.05919	0.8
245.08020	0.6
250.18080	1.0
251.00116	0.7
253.58885	0.6
263.00070	0.6
268.10437	3.2
275.99255	1.0
281.01093	0.8
293.01205	1.5
293.55484	0.6
295.09537	1.6
298.11365	1.2
314.79404	0.7
325.99747	0.6
330.90198	0.6
332.07706	0.8
336.84991	0.5
350.95917	0.6
360.03027	0.8
368.01947	0.9
383.04297	7.6
413.05353	1.6
429.56339	1.0
430.15305	3.0
430.27994	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01880	1.1
55.05502	0.9
55.81260	0.4
56.05030	1.2
60.04527	2.5
60.40952	0.4
61.34010	0.5
67.05497	0.5
68.05027	1.0
69.03436	3.2
69.07060	0.7
70.06591	1.7
71.04998	0.9
71.11889	0.5
71.12224	0.8
72.04525	0.7
73.02885	0.5
80.05025	2.2
81.03419	3.8
82.06575	0.8
83.01340	0.7
83.04974	0.9
84.04508	21.9
85.02920	0.5
87.55430	0.4
95.08601	0.5
96.04498	20.4
97.02910	4.0
98.05428	0.7
98.06061	11.3
99.04449	1.6
101.02367	0.8
105.08118	0.4
108.04478	1.2
109.02885	5.0
110.06030	0.6
114.05527	0.8
122.44255	0.4
124.03967	0.6
126.05520	28.1
127.03911	2.0
138.05508	100.0
139.05838	0.7
140.07030	0.4
144.06567	20.1
156.06578	0.4
159.86488	0.6
168.06570	19.2
168.08018	1.0
180.52232	0.5
186.07620	18.3
194.60051	0.4
204.08728	4.1
204.10504	0.6
341.79401	0.5
430.27881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27907	0.3
51.12281	0.3
51.94401	0.4
55.05502	0.6
57.07079	2.1
62.95566	0.4
67.05498	3.8
69.07043	0.6
69.32206	2.7
69.32629	0.9
71.08633	1.3
79.05501	0.6
81.07065	2.2
85.10162	0.9
86.10535	0.5
91.05484	0.9
93.07032	1.1
95.08590	0.8
98.20705	0.7
105.07027	0.6
107.08598	0.7
109.10172	4.4
119.08578	3.2
121.05667	0.7
121.06506	9.8
121.10081	0.3
122.07282	1.5
122.76809	0.3
123.08093	0.7
135.08026	1.2
135.11708	0.4
136.08835	12.2
137.09625	11.3
138.10007	0.4
149.09579	3.1
150.09941	0.6
151.07542	0.5
152.08267	0.9
163.11200	1.9
164.08342	32.3
164.11473	1.2
165.09114	100.0
166.09438	6.9
177.09134	2.1
177.12595	0.4
178.09764	0.6
187.11143	0.5
190.09837	1.0
191.10648	1.3
192.11122	0.5
205.12242	8.1
206.12701	0.6
219.13887	0.5
234.09332	0.4
240.55891	0.4
263.49353	0.4
298.10748	0.4
374.31622	0.5
376.87921	0.4
430.38034	67.5
431.38406	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
55.93528	7.5
56.94301	6.8
56.96558	5.0
60.45683	1.6
69.03426	7.6
70.06589	7.1
70.95872	7.1
71.93019	1.9
72.08146	3.1
72.93787	15.4
73.02905	2.7
74.95338	2.7
81.03430	10.7
84.08131	5.0
85.02903	6.9
86.09720	3.8
86.65517	1.9
88.96885	1.9
90.94820	7.8
91.05415	3.3
91.05878	2.5
97.02888	6.4
98.97577	9.9
98.98517	2.1
99.97304	1.6
102.94849	2.3
103.05461	4.2
107.04948	7.2
109.02894	2.5
110.07184	2.9
110.97573	4.5
115.03925	1.8
116.98621	3.9
118.94257	3.5
119.04949	8.2
120.08128	9.3
121.08430	3.2
122.03637	2.5
124.05238	2.1
127.03932	1.9
128.96318	4.8
128.98596	3.2
130.97957	3.0
131.04913	6.9
132.95839	24.2
136.06215	23.3
137.05887	32.3
140.96330	2.4
144.95839	16.5
147.04414	12.9
150.96901	3.0
156.95901	1.8
158.97412	45.6
162.96907	4.8
163.07570	2.8
166.08701	4.8
168.95892	3.9
170.97417	4.1
174.96922	4.9
176.98486	11.3
179.07030	5.3
180.07867	2.2
186.96886	13.9
192.99515	7.4
194.97386	24.9
198.96899	5.1
204.97957	2.8
208.99084	4.3
209.96107	8.9
212.98463	13.3
216.97969	24.3
218.97493	2.3
219.01816	6.0
219.15169	1.9
220.98990	3.4
227.97113	2.2
232.97328	2.2
234.99014	73.5
235.97652	3.6
236.98488	4.4
237.02835	8.0
237.95628	5.7
239.00020	13.1
244.99118	4.8
247.00508	2.4
247.97635	1.9
248.98444	3.4
249.99324	2.3
251.00027	12.8
253.00075	4.6
255.06491	5.1
260.98563	2.8
263.00021	5.7
265.98752	3.0
269.01126	5.9
272.98422	8.8
275.99316	6.9
277.01599	6.2
281.01059	8.8
281.10355	2.4
289.01590	2.3
293.01056	13.1
301.98697	6.5
305.01056	2.3
311.02158	3.5
317.01224	6.5
323.02045	4.5
347.02094	5.1
353.03128	5.9
363.01801	2.3
368.01807	13.4
383.04266	100.0
384.04364	2.4
395.04120	3.3
413.05176	14.9
431.14954	2.9
431.20956	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	431.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
68.99799	0.9
69.03452	0.4
71.05178	0.4
73.02922	11.7
85.02893	0.5
87.04472	1.0
105.03416	0.4
107.04945	0.6
109.02851	0.4
111.00802	0.8
121.02877	3.3
131.04909	0.3
133.02838	0.6
135.04454	0.3
137.02345	0.9
137.06006	0.4
145.06477	0.4
147.04391	0.5
151.22466	0.2
153.01843	4.8
157.06496	0.3
164.07104	0.3
165.01846	1.9
183.02892	0.9
185.05965	0.4
197.05898	0.2
213.05452	1.7
231.06496	0.5
241.04939	0.9
258.05310	1.1
259.06244	0.4
285.04019	0.3
286.04816	0.4
287.05518	100.0
288.05878	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.2
55.01872	4.5
55.05513	18.4
56.58247	3.5
57.03438	24.8
61.02932	53.9
65.03941	5.1
67.05509	81.0
69.03438	37.2
69.07072	26.3
69.56305	11.9
69.56727	10.1
70.06562	4.8
71.01344	5.1
71.04986	11.6
73.02917	26.3
77.03985	3.7
79.05505	44.1
81.03428	31.1
81.07061	99.6
83.04975	13.0
83.08628	20.3
85.02912	70.0
85.03433	4.1
85.06538	7.1
86.75325	3.3
91.03989	25.5
91.05476	34.4
93.07051	81.9
95.04987	7.5
95.08619	33.6
97.02895	49.9
97.06527	17.7
97.10185	4.4
98.20763	5.6
99.04455	9.9
101.02403	13.9
101.46082	4.1
103.03961	7.3
103.05519	4.8
105.07040	14.3
107.04971	10.6
107.08601	39.5
109.02856	21.8
109.06514	5.2
109.10162	8.2
111.04444	4.4
111.08103	12.3
115.03900	3.8
115.05505	3.8
117.07027	11.1
119.08588	7.6
120.08092	6.8
121.06523	3.9
121.10159	25.4
123.11703	4.1
125.05954	3.0
127.03924	30.6
129.05489	3.4
131.04926	8.9
131.08578	17.9
133.10127	15.3
135.08054	4.6
135.11691	15.8
136.07591	6.2
137.05991	7.9
145.04979	6.2
145.10124	5.7
147.11694	4.5
148.07568	8.9
149.13272	71.5
151.07518	20.0
157.10114	4.7
159.11708	31.6
161.06020	5.6
164.07082	6.3
165.92628	3.4
167.14296	4.6
177.09212	5.9
177.12744	24.9
183.06615	6.7
191.10721	10.6
195.13838	47.4
201.07565	3.5
205.12361	5.9
213.14990	4.1
269.17493	100.0
297.17010	6.4
311.18518	3.9
377.19562	4.9
399.12390	3.7
408.25229	3.1
413.21622	5.9
431.22757	8.0
431.27988	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	431.2502
Annotation	Asp-Val-Val-Val
Peak:m/z	Relative Intensity
55.05523	0.4
57.05827	0.4
69.07072	7.1
70.06587	1.8
70.60112	1.1
72.08152	4.4
75.05605	3.8
84.04508	2.0
84.08166	0.6
86.09708	100.0
87.10043	1.0
102.05529	1.7
129.10258	0.4
130.05006	1.5
143.11804	17.0
147.04419	0.8
148.04861	0.9
148.06038	6.7
171.11290	7.9
185.16536	1.4
188.30435	0.3
197.12784	0.4
199.18040	0.4
201.08850	0.5
213.15979	1.7
215.13991	0.4
219.13452	1.2
227.17680	0.6
239.17506	2.0
243.13457	0.6
261.14471	19.5
269.10373	0.5
284.19699	3.4
287.75220	0.4
300.15851	0.6
375.13528	0.4
431.11490	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.6
56.30248	1.9
57.07085	21.4
67.05494	5.1
68.63435	1.9
69.07056	6.3
71.08646	21.1
74.42400	2.2
75.50921	1.9
81.07068	12.0
83.08609	6.8
85.09714	1.9
85.10177	9.3
91.05489	3.0
92.90498	2.2
93.07030	8.7
95.08621	11.1
97.10188	5.3
101.53415	1.8
105.07047	3.6
107.06830	2.1
107.08627	3.2
109.06512	3.5
109.10155	7.2
118.53661	2.0
121.06497	4.3
123.08105	4.4
125.05992	2.1
137.05962	16.3
139.07501	5.5
147.08072	3.1
149.05959	5.5
151.07553	35.3
159.08011	3.4
161.06020	4.8
161.09605	5.7
163.07544	3.2
164.08377	3.1
165.05489	10.6
165.09131	11.9
167.07050	100.0
175.07602	9.4
175.11264	2.3
177.09135	7.1
179.07039	6.9
181.08640	5.0
189.09091	10.3
191.07106	2.1
191.10619	2.7
192.07735	2.1
193.08701	10.9
193.12135	2.4
203.10643	5.8
207.10208	11.5
217.12285	4.8
221.11725	8.3
235.13284	5.1
305.21301	2.2
326.28091	2.4
413.34082	4.0
431.35190	45.4
432.35910	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	432.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30696	0.5
54.14631	0.6
55.05510	0.6
57.03437	1.4
61.02927	0.7
67.07938	0.5
69.03432	2.3
70.00292	1.7
70.00729	1.6
71.04997	4.6
72.08153	3.6
73.02920	5.2
74.65646	0.5
75.04490	0.5
78.03388	0.6
79.05487	1.6
81.03436	0.6
83.04980	2.6
84.04521	0.9
84.08162	0.7
85.02906	8.7
86.09699	1.4
91.05467	3.8
95.04976	0.6
97.02907	1.4
97.69666	0.6
99.04461	2.4
99.09211	0.8
106.06559	100.0
107.04914	0.7
107.06902	0.7
108.08127	1.3
109.02941	0.7
117.05595	1.3
118.06549	22.5
120.08086	3.3
124.07579	1.7
127.03883	0.9
127.08725	1.9
127.63615	0.6
129.05490	1.4
130.05058	0.8
130.06532	6.3
132.08063	3.6
134.06033	2.7
135.02893	0.6
136.07570	0.6
142.06561	0.6
144.08081	1.4
147.07681	1.7
148.07561	5.9
159.09142	1.0
160.07582	2.0
170.06068	0.8
172.07593	1.4
172.83264	0.6
174.09201	1.4
178.08681	0.8
187.08632	0.7
190.08667	1.5
198.09178	0.6
216.10294	1.4
218.59929	0.6
234.11267	3.6
252.12357	9.7
256.06827	0.7
258.16064	0.7
270.13385	1.7
286.12805	0.8
286.15714	0.8
348.38760	0.6
433.16962	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	432.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87218	2.8
55.01880	3.5
55.05496	11.3
57.07073	11.4
58.98952	3.0
64.83601	3.6
66.18493	3.0
67.05513	22.9
69.07053	13.4
69.47217	22.1
71.08628	7.4
79.05509	7.3
81.07055	11.4
83.05000	4.1
83.08617	7.5
85.10193	4.7
90.10899	2.9
91.05489	23.0
93.06486	6.3
93.07051	100.0
95.04988	15.9
95.08615	47.7
97.10181	4.0
105.07021	9.3
107.08609	5.8
109.06463	6.7
109.10143	14.8
111.11712	5.0
112.01584	6.3
117.07031	5.4
119.08595	28.9
121.10104	4.0
123.08063	5.7
124.05213	7.8
131.08575	8.3
133.10118	3.6
137.05981	4.3
137.09625	83.6
138.06784	8.7
139.07487	4.3
145.10121	5.5
150.06714	6.6
151.07556	46.9
152.07860	4.4
159.11748	3.3
166.06255	15.5
167.07031	32.3
168.07433	7.7
169.02582	3.8
173.13313	3.9
185.13251	4.9
188.14769	3.1
189.09114	3.5
191.10655	12.0
298.64685	3.3
331.26318	4.4
397.30890	3.5
414.34851	9.2
432.35876	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	432.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79788	0.3
55.05506	1.3
57.07070	0.8
67.05506	3.3
69.03410	0.8
69.07074	2.6
69.60419	1.9
71.08629	0.7
74.43771	0.3
79.05494	1.8
80.47575	0.3
81.07050	2.3
83.04997	0.6
83.08613	1.0
85.10184	0.5
91.05489	0.7
93.07054	1.6
94.07878	0.5
95.04993	0.4
95.08605	9.0
95.09181	0.7
97.10166	0.9
98.21491	0.7
102.66034	0.3
105.07042	1.3
107.04958	4.6
107.08591	0.8
108.05769	0.8
109.06519	0.9
109.10154	1.0
111.04466	1.1
111.11717	0.5
117.07075	0.4
121.06525	1.6
122.06447	0.6
122.07288	7.7
123.08072	10.3
123.11710	1.0
124.05222	0.4
124.08861	0.9
135.08063	3.1
137.05962	2.4
138.06755	1.6
145.10136	0.8
149.05960	0.4
149.09633	0.5
150.05542	0.7
150.06773	17.7
151.07552	100.0
152.08360	6.0
161.09561	0.4
163.07520	0.8
163.11153	1.5
164.08331	3.2
165.09062	0.6
166.06212	0.5
167.07024	1.5
173.09660	1.3
175.07574	2.2
176.08307	1.3
177.09145	1.5
189.09135	2.3
190.09805	0.3
191.10687	15.6
192.11099	0.4
205.12271	0.9
231.13780	0.7
299.64221	0.3
383.21536	0.3
414.34940	37.3
415.35358	1.4
432.36011	38.7
433.36246	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	432.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18682	0.6
55.05502	2.1
57.07054	1.1
61.40157	0.5
66.83448	0.6
67.05492	2.3
67.68349	0.6
69.07071	3.8
74.54060	0.7
79.05502	1.7
81.07069	4.3
83.08646	1.6
87.32106	0.7
91.05470	1.2
93.07040	2.5
95.04929	0.8
95.08624	10.6
97.10101	0.9
102.86798	0.7
105.07033	2.7
107.04940	4.3
107.08600	2.0
109.06519	0.8
109.10173	3.8
111.04436	1.2
113.00002	1.4
119.08574	1.3
121.06483	1.2
121.10156	1.4
122.07288	6.8
123.08080	10.6
123.11700	1.3
133.10139	1.2
135.08041	2.3
135.11703	0.8
137.05971	1.7
138.06795	1.3
145.10135	1.4
147.11694	0.9
149.13243	1.0
150.06766	17.0
151.07552	100.0
152.08342	7.5
157.10081	0.7
159.11674	1.1
163.07588	1.5
163.11160	1.4
164.08322	2.9
167.06987	0.8
169.02568	1.0
173.09669	1.0
175.07552	1.7
177.09099	1.8
177.16365	0.8
189.09099	2.4
191.10692	15.5
192.48262	0.7
205.12238	1.8
219.13800	3.3
239.22615	0.9
265.18018	0.7
397.30872	1.6
414.34943	88.6
415.31256	1.6
415.35562	2.2
432.36981	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	433.02
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.7
53.93806	1.8
55.01867	6.9
56.32650	1.7
56.94303	2.0
56.96563	3.0
57.03428	6.3
61.02908	3.1
69.03441	30.6
69.94508	8.4
70.06596	2.4
72.08115	2.9
72.93786	9.1
73.02904	6.5
80.48728	1.7
81.03387	5.3
84.08118	3.2
85.02912	50.0
86.09698	4.3
86.95358	1.8
90.90371	5.1
90.94827	4.2
97.02903	34.6
98.97575	3.8
99.04434	7.1
101.02374	3.1
102.94888	1.8
108.91412	3.3
108.95871	1.9
109.02875	6.4
114.94825	3.0
115.03871	2.7
116.96367	2.1
120.91399	3.1
127.03922	25.7
128.96379	2.7
128.98569	2.0
130.93340	1.9
132.33830	1.7
132.94861	3.5
132.95848	59.9
140.96367	3.2
144.95850	20.5
145.04927	8.4
146.93004	2.0
147.04404	2.9
150.91309	3.8
150.92448	45.1
150.96889	8.0
156.95792	3.0
158.97397	15.0
160.95393	2.4
162.92606	2.3
162.96869	6.9
164.93977	3.6
168.93518	17.6
168.95844	4.9
170.97421	22.7
174.92441	2.7
174.96909	16.3
176.98404	4.0
180.93527	17.9
184.97459	2.0
186.96913	32.0
188.98477	3.9
192.93459	6.1
194.95006	3.3
198.94598	7.9
198.96896	30.5
204.93582	2.5
204.97925	4.4
210.94615	10.4
210.96899	12.5
216.97957	24.2
228.95634	2.3
228.97968	4.2
234.94499	4.7
234.98987	52.0
252.95647	90.7
258.99026	5.0
270.96671	82.5
275.00534	2.8
277.00085	100.0
289.00165	9.6
307.01129	25.6
318.96704	2.2
337.02158	2.5
397.04108	4.4
433.16885	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	433.1135
Annotation	Vitexin
Peak:m/z	Relative Intensity
53.03931	0.5
53.77078	0.2
55.01868	0.9
56.04996	0.2
57.03442	1.1
61.02919	0.3
65.03931	0.6
68.99485	0.2
68.99809	0.9
69.03427	1.0
70.06600	1.2
70.10111	0.7
70.10526	0.5
71.04984	0.3
72.08134	0.3
73.02901	0.2
74.89032	0.2
79.01834	0.4
79.05484	0.3
81.03425	2.9
81.07045	0.2
84.08128	0.7
85.02908	3.5
86.09680	0.7
86.12788	0.2
91.05473	1.4
93.03391	0.5
93.07048	0.3
95.04970	0.7
97.02911	1.2
98.30439	0.2
99.04470	0.5
103.03926	0.6
103.05460	0.4
105.03381	0.5
105.07004	0.3
107.04945	0.8
109.02891	3.1
110.07150	0.3
116.07062	0.2
119.04950	3.8
120.08083	0.5
121.02874	10.5
123.00809	0.6
123.04442	0.4
125.02394	0.2
127.03941	2.0
129.10295	0.3
131.04909	0.6
133.02847	0.4
135.04424	0.6
137.02338	0.7
137.05969	0.3
138.03157	0.3
138.31226	0.2
141.01822	1.4
145.02856	3.4
147.04425	0.5
149.02342	2.6
153.01811	0.8
159.04399	0.8
163.00375	0.3
163.03918	4.1
165.01848	17.9
166.02327	0.3
167.03412	3.6
167.07091	0.3
169.02936	0.4
171.04424	0.3
173.02324	0.3
175.03871	0.4
177.01868	1.8
177.05499	0.6
179.03404	0.4
181.05016	1.8
183.02945	3.7
187.03906	2.1
187.05965	0.8
189.01857	0.9
190.02496	0.3
190.99733	0.3
191.03435	1.4
195.02908	2.1
203.03354	0.6
205.04977	1.2
207.02875	0.4
211.07457	0.4
213.05505	0.3
215.03421	0.6
227.07129	0.3
229.04985	1.4
231.02925	0.4
233.04453	0.4
239.07117	1.6
242.05740	0.4
243.02913	1.6
253.05032	0.4
253.08575	0.3
255.06534	1.7
256.07339	1.2
261.03925	0.7
266.05554	0.6
267.06555	8.5
267.09485	0.4
268.07208	0.3
269.04401	0.7
270.05249	3.9
271.06027	8.1
272.06360	0.3
273.03732	0.2
277.08615	0.4
279.06567	1.5
281.04904	0.4
281.08096	7.2
283.06027	100.0
284.06735	13.5
285.07483	0.7
287.05518	1.8
293.08200	1.0
294.05292	0.5
295.06082	12.5
295.09604	2.3
296.06540	0.4
297.03961	0.9
297.07587	3.4
305.08047	3.1
307.06088	2.3
308.06860	2.5
309.04056	1.7
309.07562	21.3
310.07919	0.7
311.05630	1.2
311.08777	0.3
313.07074	64.1
314.07413	1.8
315.88501	0.3
320.06924	0.3
321.07645	2.8
323.05844	0.7
323.09137	16.1
324.09454	0.5
325.06876	0.6
333.07523	3.5
335.05423	0.5
335.09024	0.3
336.06039	0.3
337.07077	37.7
338.07367	0.9
343.08188	0.3
349.07077	10.7
350.07272	0.3
351.08704	3.0
355.08206	0.3
361.07111	9.1
362.07672	0.3
367.08148	18.7
368.08231	0.5
379.08157	17.2
380.08469	0.5
397.09198	18.4
398.09579	0.9
403.13919	0.3
415.10233	11.1
416.10626	0.5
433.11273	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	433.1134
Annotation	Vitexin
Peak:m/z	Relative Intensity
54.18573	1.4
63.08051	1.5
64.81023	1.5
68.67156	1.5
68.82290	1.6
69.96957	2.4
69.97347	4.0
70.58642	1.3
79.01884	2.9
81.03426	3.5
108.15865	1.5
109.02877	2.4
119.04942	3.5
121.02863	14.4
145.02869	3.8
149.02379	1.8
158.31255	1.7
163.03952	3.1
165.01843	15.4
175.65219	1.6
183.02986	1.8
187.03970	2.7
213.05482	3.4
213.31738	1.5
217.04906	3.1
255.06667	5.2
256.07379	5.8
264.56088	1.6
267.06610	6.9
271.06012	8.2
281.08136	4.3
283.06042	100.0
284.06763	28.9
295.06073	19.8
297.07578	10.8
307.05975	3.0
308.06735	3.3
309.04105	2.3
309.07544	16.8
311.05563	3.2
313.07095	99.1
321.07843	2.2
323.09152	20.2
337.07047	37.4
343.08209	4.0
349.07053	10.6
351.08649	7.0
361.07159	4.6
367.08167	29.2
379.08179	21.8
397.09262	35.6
415.10278	43.2
433.11386	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03438	7.1
69.03430	1.7
70.95367	2.1
71.04950	1.1
71.71157	0.8
73.02907	2.7
74.84054	0.7
75.04485	23.6
81.03419	3.1
85.02902	3.0
97.02875	1.3
99.04449	1.6
100.11259	1.0
107.23024	0.8
109.02874	4.0
111.00777	1.2
121.02856	3.4
127.03895	4.8
129.55232	0.8
137.02377	1.2
153.01820	3.8
161.06009	1.0
165.01813	3.9
187.06055	2.3
197.05962	1.1
213.05420	1.2
258.05222	1.4
271.09683	1.7
283.05991	3.8
284.06781	1.2
287.05515	100.0
288.05847	1.7
313.07062	3.0
329.06519	1.1
337.06998	1.3
397.09445	1.0
415.10312	1.0
433.11481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1136
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03445	8.4
68.99805	0.4
69.03453	1.7
70.95608	0.7
71.04990	0.6
73.02921	3.4
75.04490	22.5
78.34432	0.4
81.03432	2.4
81.07082	0.3
84.08162	0.4
85.02919	4.4
91.05479	0.4
97.02895	1.0
99.04465	1.0
107.04976	0.8
109.02894	3.3
111.00862	0.6
111.04440	0.4
121.02889	4.4
126.69855	0.3
127.03932	3.5
130.62602	0.4
133.02870	0.5
137.02336	1.0
137.05975	0.5
147.04404	0.9
153.01849	4.2
157.06487	0.5
161.06018	0.5
165.01857	3.2
169.04945	0.4
170.42780	0.4
183.02876	0.9
185.05908	0.5
187.06064	1.8
193.01335	0.4
213.05540	1.8
231.06535	0.9
235.02353	0.6
241.05000	1.0
258.05298	1.0
259.06113	0.6
263.05154	0.3
272.06464	0.4
283.06097	1.4
287.05530	100.0
288.05875	2.0
299.05490	2.8
300.06253	0.7
313.07138	1.9
325.07062	0.9
329.06540	3.5
351.08655	0.6
353.06558	2.2
359.07971	0.4
379.08221	1.2
397.09305	3.8
415.10544	1.6
433.11148	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Kaempferol 4'-rhamnoside
Peak:m/z	Relative Intensity
51.87846	1.0
53.03937	2.7
55.01868	2.2
55.05497	2.9
57.03447	13.0
57.15528	1.2
61.02941	1.2
62.11436	1.1
65.41264	1.1
67.05497	3.2
68.15302	1.2
68.99790	1.5
69.03442	8.5
69.07062	2.2
69.28477	10.7
70.06604	1.2
71.04997	13.8
73.02924	6.0
74.46530	1.3
74.81544	1.0
75.04491	18.5
77.62411	1.1
79.05476	3.7
81.03423	12.1
81.07047	3.9
83.01305	1.1
83.04959	3.2
83.08618	1.5
83.36953	1.2
84.04498	1.9
85.02914	51.0
91.05473	4.0
93.07037	4.2
95.08613	7.0
97.02885	7.4
97.06540	1.6
98.21538	2.3
99.04441	4.5
101.02381	1.1
102.43652	1.1
102.84547	1.3
103.03944	1.9
103.05408	1.3
105.07030	5.8
107.04921	2.1
107.08580	4.6
109.02892	15.3
109.06509	1.3
109.10154	1.5
111.00833	1.3
111.04437	2.8
119.03442	2.2
119.08562	3.9
121.02851	3.9
121.06477	2.0
121.10143	1.5
127.03924	17.3
127.09480	1.0
129.05479	3.7
131.08577	2.6
133.06445	1.7
133.10110	4.1
137.05989	4.3
143.08531	1.7
145.05009	1.5
145.10074	1.9
147.04424	1.7
147.06627	1.7
147.11673	1.6
153.01808	4.7
157.10114	2.1
159.11670	2.2
161.06015	1.8
161.13239	2.3
165.01880	2.7
167.07094	2.5
169.04970	2.4
171.11667	1.9
172.47099	1.2
173.04489	1.6
173.13283	2.6
181.04961	2.8
183.02869	1.6
183.11748	1.7
187.06012	5.2
187.14961	1.4
201.16426	1.8
203.06963	1.3
210.14862	1.5
213.05428	2.4
241.05087	1.2
248.98848	1.3
253.09662	2.2
258.05307	1.7
271.06073	2.8
271.09949	3.7
271.19247	2.1
281.08090	1.3
283.06012	12.6
284.06732	1.6
287.05518	100.0
288.05884	6.0
289.06113	11.7
295.05911	2.5
297.07678	1.4
309.07526	2.0
311.20004	1.3
313.07059	8.8
323.08975	2.3
337.07043	4.6
367.08154	3.3
379.08304	2.7
397.09082	4.5
415.10144	1.3
419.95493	1.5
433.10849	2.7
433.21790	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.3
54.32995	1.8
57.03424	3.5
61.02925	2.7
65.69550	1.6
68.99803	2.2
69.03438	25.3
70.06582	5.7
71.05009	9.5
71.51352	2.0
79.05463	1.7
79.39378	1.7
81.03421	60.6
82.03784	1.8
83.01318	4.0
83.04985	1.8
84.08122	1.8
85.02906	46.3
86.09702	4.0
91.05453	2.7
95.04979	3.5
97.02898	23.7
97.15695	1.7
99.04462	20.1
103.03922	5.6
105.35767	1.7
109.02882	71.5
111.04401	2.0
115.03921	2.3
117.53407	1.8
119.04925	5.5
121.02882	14.6
121.53667	1.7
123.04427	2.6
127.03915	83.5
131.04956	2.4
136.26038	1.8
139.03896	4.2
141.01849	2.0
145.02821	4.1
145.04990	6.6
149.02422	2.6
153.01805	3.3
155.68323	1.7
163.03937	4.8
165.01833	16.0
167.03403	3.5
167.07091	1.9
169.04929	9.3
181.04926	2.2
183.02895	2.5
187.06018	44.6
187.07681	2.5
191.03406	2.7
205.04773	2.0
207.03076	2.1
215.05464	2.7
229.07062	4.7
243.02869	2.1
243.06552	2.3
253.17758	2.2
255.06520	3.4
256.07239	5.0
267.06561	8.1
271.05945	8.4
281.08148	7.8
283.06021	100.0
284.06735	25.7
287.05566	18.0
289.07227	2.3
295.06104	14.3
295.09219	3.2
297.07513	9.0
299.58157	2.1
305.07938	3.2
309.04123	3.5
309.07547	21.4
313.07071	85.5
321.07510	4.5
323.05612	2.6
323.09116	22.5
325.06821	2.7
333.07394	3.3
337.07080	36.5
345.09924	1.7
349.07001	8.1
351.08517	5.1
355.07974	3.3
361.07034	8.6
367.08148	18.6
379.08191	17.6
397.09204	24.2
398.09393	2.3
415.10175	19.7
433.11285	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	433.1346
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03940	7.7
55.01871	4.9
55.05522	1.8
57.03405	2.5
64.17536	1.7
67.05550	1.8
69.03431	25.2
69.68047	4.1
69.68459	6.5
70.06590	7.0
71.05005	8.9
71.05325	1.6
72.08135	2.6
73.02962	1.8
79.05497	3.4
79.07086	1.6
81.03419	68.1
81.07048	3.6
83.01345	3.9
83.04984	2.1
84.04517	2.9
84.08154	3.4
85.02910	48.7
86.09691	2.3
89.17675	1.6
91.05476	2.4
94.72427	1.8
95.04984	1.6
97.02900	29.4
98.20715	1.6
99.04456	28.5
100.11263	2.4
103.03939	5.1
105.07042	3.3
107.04960	5.1
108.23160	2.0
109.02891	87.9
111.04446	3.0
115.03964	1.9
119.04921	2.6
119.16104	1.7
119.62743	1.8
121.02867	4.8
127.03926	100.0
131.04922	2.0
133.07835	2.2
133.08914	2.2
135.04443	1.8
136.07574	6.6
137.05956	7.2
138.09157	4.0
139.03893	3.5
141.05516	1.7
145.04985	6.6
157.05048	1.7
161.13268	1.8
164.07039	7.7
165.01804	4.5
167.07135	2.2
169.04941	13.6
173.04459	2.0
181.04990	5.8
187.06027	53.0
215.05533	3.5
229.07164	10.8
229.09030	2.0
271.05960	6.8
277.08734	3.4
281.08313	1.9
283.05948	21.1
284.06760	3.6
287.05460	5.2
289.05988	2.5
295.06018	4.0
295.09387	2.2
313.06912	10.3
323.09106	2.6
337.07089	5.6
361.07068	2.2
367.08224	3.9
379.08212	6.5
397.09158	5.3
401.14044	2.7
403.13809	3.5
406.39844	1.9
415.10318	5.7
418.45609	2.2
433.11050	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58630	0.5
53.03934	0.8
55.01876	17.5
55.05503	0.8
55.93527	0.7
56.96563	3.0
57.03442	28.4
59.05009	3.3
61.02933	7.3
69.03434	26.4
69.67722	2.6
70.03751	0.6
70.06610	1.2
70.95848	0.5
71.01358	7.6
72.08146	2.1
72.93787	1.7
72.94760	0.6
73.02923	26.4
74.06092	0.9
75.04473	0.8
78.03463	0.9
78.99329	0.5
80.34589	0.5
81.03416	3.6
83.13648	0.6
84.04512	1.0
84.08146	2.2
84.96030	0.8
85.02910	43.5
86.09724	3.2
87.04473	4.6
90.90384	1.1
90.94821	1.0
91.05484	0.6
94.02941	0.8
96.84702	0.5
97.02898	21.6
98.06120	0.6
98.97588	7.0
99.04458	1.8
101.00842	0.5
101.02435	0.7
102.05531	0.7
102.94828	0.7
103.03960	4.1
107.04959	8.4
108.05301	1.5
108.91451	0.6
109.02885	2.8
110.97578	2.0
114.94798	0.8
115.03941	23.0
116.98628	2.2
119.04905	1.3
122.02398	8.4
124.07757	0.8
127.03926	8.2
128.96332	0.9
129.10251	1.2
130.08635	0.6
132.95833	12.3
133.04977	61.1
137.06004	1.6
139.05035	100.0
140.03438	46.9
140.05200	0.9
140.96342	1.1
143.00121	0.7
144.95813	3.6
145.04955	6.2
147.04405	2.3
150.92459	7.9
150.96918	2.9
158.97408	4.6
158.99693	1.8
161.03040	0.7
162.96907	1.8
164.94012	1.1
168.03386	0.8
168.93549	6.8
168.95804	1.3
170.97411	4.0
170.99684	0.7
174.96930	4.0
175.38554	0.5
176.98462	1.4
177.00734	1.4
180.93546	3.1
186.04398	0.7
186.96916	6.4
188.98523	0.8
192.93529	1.0
198.94638	2.3
198.96928	6.3
203.04068	0.9
204.93523	0.8
204.97992	0.9
206.02415	0.6
210.94623	2.7
210.96912	1.7
213.00746	0.6
216.97931	5.5
219.01825	2.5
228.97958	0.8
230.74702	0.6
234.94572	1.0
234.99005	12.5
237.02809	2.4
240.97916	0.7
251.00229	0.7
252.92995	0.9
252.95622	16.5
252.98117	0.9
252.99933	0.7
258.99194	0.9
261.03403	0.7
270.96683	17.2
271.97000	0.7
277.00070	19.2
289.00125	2.3
307.01190	4.1
391.39664	0.6
423.04999	0.6
433.15665	7.7
433.25696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1497
Annotation	3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside
Peak:m/z	Relative Intensity
50.86732	0.2
53.03942	0.3
55.01851	0.3
55.05508	0.4
57.03444	0.2
65.03220	0.2
67.05508	0.3
67.36985	0.2
69.03422	0.5
70.06596	0.2
70.42571	0.4
70.42944	0.5
79.05457	0.2
81.03406	0.9
81.07058	0.6
81.78774	0.2
84.04496	0.3
84.96842	0.2
85.02894	1.1
91.05476	0.3
93.07037	0.5
95.08602	0.6
97.02899	0.4
103.05454	0.3
105.07043	0.4
107.08587	0.4
109.02856	0.9
110.14389	0.2
120.08100	0.3
121.10193	0.3
123.08118	0.2
127.03902	1.1
132.51306	0.2
137.05975	0.5
145.04872	0.2
146.75403	0.2
149.49747	0.2
153.06947	0.5
155.08582	0.6
161.06017	0.3
165.07031	1.3
168.05698	0.7
181.04991	0.5
181.06458	0.4
182.07286	0.4
183.08020	1.3
185.06009	0.7
187.06029	0.4
193.06387	0.3
196.05194	1.2
197.05997	4.8
199.07622	0.3
200.04521	0.3
200.08266	0.3
209.05969	0.4
210.06721	0.4
211.07549	4.5
212.08321	18.5
213.05489	6.4
213.08873	0.7
215.07036	0.3
215.10619	1.3
221.06078	0.3
224.04706	0.9
225.05475	2.9
225.09088	0.5
226.06148	0.4
227.07019	0.8
227.21736	0.2
228.07811	9.5
238.06194	1.2
239.07050	0.9
240.07825	11.2
241.02687	0.4
241.04984	4.4
241.08380	0.4
242.05711	0.3
243.06447	0.5
243.07587	0.4
243.10175	7.2
255.06416	0.3
256.07306	14.8
257.07788	0.6
270.08774	0.3
271.09650	100.0
272.10037	2.9
276.71518	0.2
283.06027	0.5
283.09274	0.2
287.05731	0.2
295.09521	0.3
313.07010	0.3
401.13937	0.3
433.15598	0.8
433.29605	0.4
456.51352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1496
Annotation	3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucoside
Peak:m/z	Relative Intensity
53.03938	1.5
55.01843	1.0
55.05503	1.0
57.03432	1.7
61.02912	1.3
63.66024	0.6
64.70849	0.6
67.05496	1.0
69.03101	0.7
69.03424	6.0
69.07053	1.1
69.43806	4.7
70.06573	0.8
71.04979	1.2
73.02905	1.6
75.04475	0.7
77.13408	0.7
79.05467	1.1
80.89766	0.7
81.03424	5.2
81.07050	1.5
84.04488	1.8
84.08143	0.7
85.02905	11.1
89.09204	0.7
89.99843	0.7
91.05457	1.9
91.66672	0.8
93.07011	1.2
94.82883	0.6
95.04913	0.8
95.08601	1.6
97.02881	4.6
99.04430	1.5
102.63748	0.6
103.03907	0.8
103.56808	0.8
105.07026	1.4
107.04959	1.2
107.08570	1.5
109.02882	4.8
121.10172	0.8
127.03917	7.4
131.04932	1.0
137.05945	1.8
145.04922	2.0
145.10048	0.7
152.06183	2.6
161.05963	0.7
165.01898	0.7
165.05624	1.0
165.07018	10.1
166.07727	2.9
167.07220	1.0
167.08582	7.2
168.05617	0.8
169.04991	0.7
169.10109	0.8
179.08583	1.5
181.04933	2.5
181.06432	0.9
182.07263	5.1
187.06010	2.1
192.05626	0.9
193.06474	6.5
194.07298	14.2
195.08002	2.2
195.16536	0.7
197.09639	2.5
197.13187	0.7
210.06766	9.2
211.07397	1.2
213.05411	1.2
221.05887	0.9
223.07573	0.7
225.09116	61.8
226.09496	1.0
239.10759	0.7
240.07823	3.0
241.04816	1.0
243.10332	0.9
253.08614	79.7
254.08966	3.0
256.07349	2.6
267.06805	1.0
267.10052	0.8
271.09659	100.0
272.09970	3.1
277.08542	1.1
283.06094	3.8
287.05609	3.8
288.05795	3.2
289.06125	7.0
295.09665	1.1
309.07843	0.8
313.07114	3.3
313.10526	1.2
323.08960	1.1
337.07062	0.9
379.08237	0.9
397.09125	1.0
415.10223	0.9
433.15012	34.3
433.30826	0.8
434.14679	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	0.8
69.76812	1.2
69.77229	0.7
70.06567	0.4
72.08159	2.2
74.80425	0.4
76.44569	0.3
84.04496	1.3
84.08145	0.6
85.02902	0.5
86.09222	0.6
86.09714	7.6
98.97552	0.3
102.05534	0.5
107.04935	0.4
110.09732	0.4
120.06663	0.4
120.91549	0.3
129.10292	0.5
130.04987	0.3
155.08186	0.6
159.11383	0.3
164.74956	0.4
165.03984	0.3
173.09282	0.5
173.12897	0.4
187.10771	0.5
201.08694	0.6
201.12421	0.5
216.97942	0.4
234.99037	0.7
259.07919	0.9
261.14569	0.9
268.16522	0.8
271.06238	0.8
271.11572	1.7
289.11182	0.5
294.50937	0.4
369.11746	0.6
401.14194	1.8
433.16855	100.0
434.17178	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2356
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03937	5.0
55.05498	14.4
57.03426	15.8
64.54409	3.4
67.05178	5.3
67.05511	70.3
69.07067	17.2
69.69757	7.5
69.70168	15.0
79.05508	44.0
81.07069	83.4
83.08629	7.4
88.20948	3.5
91.05495	29.7
93.07054	51.8
95.08616	59.3
97.10184	4.6
98.98470	100.0
105.07051	24.9
107.08591	36.6
109.06524	3.9
109.10156	33.1
117.07011	8.2
119.08578	24.5
121.10144	28.1
123.08076	4.1
123.11679	8.7
131.08563	14.9
133.10138	14.2
135.11728	19.3
145.10130	12.5
147.11688	7.5
149.13243	18.0
155.01033	7.6
159.11713	11.8
161.13252	9.8
163.14818	14.5
173.02119	17.3
173.13225	8.4
175.14911	4.7
187.14790	8.0
201.16214	4.2
243.21127	13.6
261.22116	42.7
277.21274	3.5
279.23190	4.2
283.06033	5.5
317.24628	9.3
335.25812	96.0
439.21295	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	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47401	3.3
55.05512	4.2
67.05510	29.9
71.47972	6.8
79.05477	7.2
79.12574	3.4
81.07057	36.1
83.08599	4.6
91.05513	16.1
93.07044	10.6
95.08601	32.7
96.81767	3.3
97.10177	3.3
105.07023	6.5
107.08574	5.2
109.06509	5.2
109.10162	17.0
112.84035	3.5
119.04945	29.9
119.08621	7.0
121.10158	8.2
123.11700	9.1
133.10139	11.7
135.11678	7.4
145.10211	3.8
147.04420	100.0
147.11659	4.2
151.11162	7.0
159.11674	4.8
165.05464	22.7
195.93767	3.8
215.17915	9.3
215.81779	3.2
233.19029	9.1
250.59175	3.5
251.20071	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	433.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19233	1.8
51.23637	1.8
55.05505	6.5
56.07360	1.9
67.05185	2.7
67.05514	44.8
67.05875	2.1
67.34698	1.9
68.31849	1.7
69.07062	5.2
71.50885	2.7
75.00043	2.1
79.05502	12.4
81.07067	44.5
83.08614	5.1
86.00496	1.9
91.05491	21.9
93.07054	11.7
95.08613	50.4
97.10171	2.4
98.98479	43.5
99.08041	2.4
105.07043	13.0
107.08589	7.7
109.10165	24.9
119.04941	35.2
119.08583	7.3
121.10128	9.6
123.11706	8.9
131.08560	4.1
133.10175	11.8
135.11728	10.5
137.09592	3.9
137.13243	4.0
145.10071	3.8
147.04417	100.0
147.11647	2.1
149.13258	6.8
151.11217	5.7
159.11714	3.9
165.05493	17.3
169.12193	2.5
173.13245	2.9
181.12236	3.2
195.13806	4.4
208.95317	2.9
210.95074	3.5
215.17957	13.9
233.19073	10.8
251.20065	16.8
283.06146	3.1
311.89767	2.0
313.07095	4.1
428.02121	2.0
433.27362	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	433.3316
Annotation	1alpha,2beta,25-trihydroxycholecalciferol
Peak:m/z	Relative Intensity
50.24625	1.2
50.92409	1.2
53.03942	2.6
55.01873	2.6
55.05517	25.1
57.03430	1.4
57.07084	9.0
65.03954	1.7
67.05511	22.3
69.06734	2.3
69.07081	35.0
71.08634	4.4
71.25511	2.5
79.05503	12.3
81.07065	43.6
83.04990	15.5
83.08620	17.0
85.06533	1.3
85.10198	1.9
91.05484	7.4
93.07054	14.7
95.05016	2.1
95.08614	43.9
97.06532	8.5
97.10190	10.0
99.04465	6.3
99.08049	1.2
105.07035	11.9
107.04941	2.0
107.08605	13.9
109.06521	7.0
109.10165	24.3
111.04449	8.4
111.08092	1.9
111.11731	3.1
113.06041	3.2
117.07025	4.4
119.04974	2.3
119.08596	13.6
121.06501	2.8
121.10151	13.7
123.08102	3.7
123.11721	12.4
125.06020	31.1
125.13307	1.5
127.03917	9.3
131.08598	4.8
133.10123	8.1
134.55177	1.1
135.08076	4.6
135.11699	8.3
136.43747	1.2
137.05994	14.4
137.09608	2.4
137.13249	6.0
139.03908	36.6
141.05490	5.5
142.07837	1.7
143.08621	3.1
144.75560	1.4
145.10149	8.9
147.08092	4.4
147.11699	7.6
149.09656	4.4
149.13283	4.7
151.07571	9.7
151.11224	1.5
151.14810	3.2
153.05486	25.6
153.09148	1.3
155.08638	1.6
157.10176	5.1
159.08063	1.8
159.11755	5.8
161.09656	5.6
161.13339	3.9
163.07578	3.4
163.11229	4.5
163.14809	1.7
165.09117	5.9
167.07101	5.2
169.05011	5.5
169.10130	1.3
171.11707	2.2
173.09665	5.5
173.13280	3.7
174.65521	1.3
175.07590	1.6
175.11217	5.5
175.14877	2.1
177.09073	6.3
177.12758	3.0
179.06970	1.4
179.10687	2.5
183.06613	2.2
187.07590	2.9
187.14825	1.8
188.08441	1.7
189.09109	3.1
189.12668	1.7
189.16466	1.6
191.07034	1.9
191.10664	6.7
191.18109	2.2
192.07829	2.6
193.08549	1.9
193.12317	1.9
195.10193	2.3
201.09108	6.7
201.16476	2.5
203.10678	2.9
205.08614	3.2
205.12314	3.6
205.19545	1.9
207.10219	2.7
209.11761	6.3
213.16475	1.3
217.12218	1.4
219.10199	2.8
221.11722	3.1
223.13254	1.8
231.13788	1.5
261.14963	1.7
261.25903	1.7
277.18121	3.7
285.25720	2.2
289.18115	2.2
303.26703	2.4
313.07135	1.4
331.22885	1.6
333.24280	2.0
345.24460	2.3
359.26117	1.4
387.32651	2.1
397.31030	2.9
415.32123	100.0
416.32333	3.3
433.33243	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	433.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	31.7
57.07080	44.2
63.19706	2.0
67.05494	7.1
69.07075	60.8
69.12488	2.1
71.08635	34.6
71.51577	3.4
79.05474	4.3
81.07069	13.9
83.08625	40.7
85.10194	20.4
89.06017	2.5
92.89052	2.1
93.07053	11.9
95.08622	13.4
97.06567	2.4
97.10173	39.2
103.61453	2.4
105.07043	5.6
107.08636	3.1
109.10143	4.1
111.11723	27.7
112.99982	12.1
119.08591	3.2
121.06465	4.3
121.10043	2.5
122.31303	2.7
123.08056	4.0
125.06042	2.6
125.13273	13.1
131.08548	2.5
135.08076	4.4
137.05959	6.3
137.09641	4.6
139.07556	26.5
145.10156	2.5
149.06004	3.3
151.07547	49.0
152.07884	3.3
155.07060	6.3
159.11711	3.6
163.07588	4.3
165.09090	6.2
166.06184	2.3
167.07050	100.0
169.02596	7.6
177.09114	12.0
191.10709	11.7
205.12271	7.5
238.96498	2.2
269.33774	2.3
377.42142	2.3
415.35791	10.8
433.36963	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01859	5.3
55.05515	37.5
57.07080	75.6
61.26078	3.3
64.93944	4.0
67.05517	24.0
68.38168	3.8
69.07072	62.7
71.00475	4.6
71.00806	5.6
71.04990	8.9
71.08640	58.0
74.35965	3.1
79.05485	13.2
81.07063	87.1
83.08620	48.7
85.02908	5.6
85.06525	5.2
85.10188	30.8
90.81446	3.2
91.05492	12.4
93.07048	25.5
94.85577	3.3
95.04955	5.2
95.08607	57.1
97.02878	8.8
97.06535	12.6
97.10188	28.7
99.03851	6.9
99.04461	100.0
105.07031	16.3
107.08605	31.8
107.35036	3.5
109.06507	13.3
109.10164	35.1
111.08094	11.9
111.11714	17.5
113.00014	4.0
113.06023	9.6
115.03939	5.9
119.08592	19.7
121.06517	15.9
121.10124	24.9
123.08100	22.4
123.11684	20.9
125.05968	12.2
125.09606	5.7
125.13228	6.0
125.27364	3.9
127.07559	15.6
131.08601	5.3
133.06465	8.4
133.10121	8.2
135.08044	5.5
135.11711	17.4
137.09564	12.8
137.13240	5.5
138.09952	4.7
139.07536	25.2
145.10109	8.6
147.11716	7.9
149.09644	7.1
149.13292	6.8
151.07550	53.8
153.09135	19.5
155.07039	80.2
159.11705	11.5
163.11252	5.5
163.14853	8.3
165.09128	24.2
166.09474	26.9
167.07002	13.7
167.09677	14.3
168.09958	5.3
169.08612	11.7
173.13297	4.3
177.12881	7.5
191.14355	4.7
205.12053	3.7
207.13873	4.2
219.13791	5.7
313.07101	4.1
319.29962	19.8
335.32941	10.6
343.29932	10.9
349.34714	5.5
355.33578	4.9
361.31067	51.1
373.34650	12.0
377.34119	13.8
391.35764	82.0
415.35791	51.5
433.36725	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.368
Annotation	Ergosta-7-ene-3beta,5alpha,6beta-triol
Peak:m/z	Relative Intensity
50.44923	3.2
53.91434	3.6
55.01863	5.9
55.05509	21.3
57.07080	59.8
58.84879	3.2
60.14629	3.8
67.05502	23.0
69.07070	40.5
71.04989	8.4
71.08636	45.9
79.05499	11.6
81.07060	76.6
83.04975	5.1
83.08626	30.9
85.10206	29.5
91.05499	10.2
93.07039	16.7
95.04967	5.5
95.08612	54.7
97.02888	13.1
97.06535	14.8
97.10181	22.7
99.04461	90.6
99.05098	5.7
105.07009	16.0
107.08606	23.8
109.06519	8.0
109.10155	25.0
111.02773	4.0
111.08067	6.4
111.11723	12.8
113.06013	4.5
115.03927	9.1
117.06992	6.2
119.08572	14.5
119.25945	3.7
121.06520	4.8
121.10143	13.9
123.08077	17.3
123.11728	12.3
125.06025	5.6
125.09626	4.9
127.07547	8.7
131.08521	4.5
133.06473	8.2
133.10149	6.0
135.11697	11.6
137.09662	7.4
137.13242	6.2
139.07549	14.0
145.10121	6.7
147.08104	4.6
147.11635	7.4
149.13271	10.1
151.07547	52.8
153.09122	12.0
155.07050	35.3
159.11722	7.3
159.64999	3.8
163.11203	5.6
163.14838	5.1
165.09134	16.1
167.07048	13.2
169.08653	6.1
173.13376	4.6
175.17241	3.6
177.12805	5.1
179.10686	5.5
180.78206	3.4
187.14827	4.3
207.13905	7.6
210.81973	3.6
219.13866	5.2
235.17114	3.6
319.29941	15.3
319.33386	5.0
333.31381	8.2
335.33228	6.3
343.30124	8.0
361.30972	31.0
373.34595	10.3
391.35757	77.8
415.35843	63.9
433.36838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	27.5
57.07077	59.1
67.05500	21.2
69.07068	58.1
70.83408	17.5
71.08635	43.6
79.05480	12.1
81.07063	80.4
83.08616	27.9
85.10184	18.6
90.33480	5.4
91.05479	8.0
93.07045	22.9
95.08611	48.1
97.02885	11.7
97.06553	10.5
97.10166	19.5
99.04465	100.0
99.20020	7.4
105.07041	15.3
107.08611	19.4
109.06507	9.7
109.10162	27.5
111.08096	9.9
111.11722	15.7
119.08577	18.5
121.10138	22.4
123.08059	15.3
123.11701	17.8
125.06022	7.3
133.10126	6.9
135.11719	14.1
137.06029	8.3
139.07544	18.2
147.11629	8.7
151.07568	45.2
153.09088	8.8
155.07047	41.9
159.11627	11.4
165.09109	14.8
167.06996	13.5
169.08585	8.4
189.16444	6.4
207.13751	9.8
210.75238	7.1
212.65646	6.7
219.13791	8.3
251.57976	5.9
319.30081	10.9
319.33704	8.5
335.33047	7.4
361.31064	28.2
382.80334	6.3
391.35641	74.0
415.35706	63.2
433.36761	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	38.5
57.07065	68.6
67.05518	24.9
68.36051	9.3
69.07065	64.3
69.18618	7.8
69.18909	90.3
71.05037	11.2
71.08636	74.3
79.05518	13.9
80.44022	8.2
81.07058	100.0
83.08630	42.7
85.10195	24.3
91.05505	12.3
93.07076	24.9
94.35518	8.0
95.08604	72.0
97.02924	11.1
97.06543	13.5
97.10208	28.7
99.04462	94.4
105.07076	15.4
107.08624	23.0
109.06533	12.6
109.10197	40.3
111.08089	13.4
111.11726	12.3
116.64671	8.0
119.08606	23.3
121.06532	19.0
121.10199	26.5
123.08083	20.0
127.07536	14.5
131.08582	15.2
133.10144	16.1
135.11737	17.7
137.09715	12.0
139.07578	25.5
141.47803	8.7
145.10187	8.5
149.13261	9.6
149.65323	8.0
151.07561	64.5
153.09235	20.2
155.07034	80.7
159.11755	10.8
165.09172	20.9
167.07100	14.4
169.02681	11.2
260.37933	9.2
281.21249	9.9
314.79520	8.5
319.30173	15.4
361.31067	63.4
373.34918	17.5
377.34305	15.5
388.94940	7.8
391.35757	80.1
407.21277	8.1
415.35675	48.4
433.36829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82653	0.3
53.03951	0.3
55.04171	0.2
55.10468	0.3
57.03423	0.3
62.09917	0.3
64.54401	0.2
66.72453	0.3
69.03418	0.9
69.44073	2.1
72.04505	0.3
72.50522	0.2
73.24818	0.3
79.05484	0.3
81.03386	1.0
81.46937	0.3
84.04503	1.3
85.02898	2.8
91.05468	0.6
91.24698	0.3
97.02876	0.8
107.04960	0.3
108.04556	0.3
109.02859	1.0
116.83303	0.3
126.05537	0.6
127.03899	1.0
127.06792	0.3
137.05943	0.4
145.04977	0.5
153.07007	0.3
161.05980	0.5
162.06230	0.3
167.06989	0.4
168.05640	0.6
171.04414	0.6
181.04994	0.6
181.06487	0.4
183.08049	4.1
195.08049	1.1
196.05167	0.6
197.06007	1.5
205.55847	0.3
208.05080	0.4
211.05550	0.6
211.07544	11.3
214.06265	0.6
223.07526	0.5
224.04721	0.5
225.09065	0.4
226.09880	0.4
229.08604	4.6
239.07027	19.8
240.07539	0.6
241.08507	0.4
242.09363	0.3
246.83405	0.3
253.08635	0.9
255.10152	0.8
257.08093	14.1
258.08746	0.4
271.09714	0.9
272.10431	100.0
273.10928	2.7
360.32111	0.3
434.12433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.05522	3.6
57.03438	13.3
61.02912	2.9
69.03416	5.4
69.51025	7.3
69.51450	6.6
70.06593	2.7
71.04998	60.0
73.02917	3.5
75.04480	8.5
76.78695	2.1
77.34704	1.8
81.03411	3.9
83.04984	9.8
85.02909	100.0
86.09717	2.6
87.04474	2.8
91.05492	18.4
95.04987	1.9
96.21222	2.1
97.02904	8.5
99.04452	2.3
103.03973	1.9
107.04964	19.1
111.04459	4.0
119.04982	9.5
123.04458	4.8
127.03927	6.4
129.05487	36.7
133.06544	2.6
139.03918	7.4
147.04449	4.9
147.06514	21.6
151.03909	2.8
152.83008	2.5
163.06038	2.5
164.09203	4.2
183.24095	2.1
198.45932	2.1
227.06744	2.4
233.71561	2.5
255.08830	2.5
257.08301	3.0
273.07547	5.8
284.06229	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46774	2.7
51.53830	2.4
57.03443	9.3
69.03417	5.7
70.06593	6.6
70.88960	5.1
74.64378	2.1
75.04484	5.2
81.03417	3.0
84.04508	3.0
84.08150	4.9
85.02919	17.5
86.09704	4.1
91.05480	4.1
95.04997	3.4
97.02899	6.7
103.05482	26.7
107.04959	17.7
110.03706	4.5
113.69534	2.3
119.04966	18.2
121.06522	6.2
123.04448	16.8
124.05283	5.2
127.03947	6.4
129.10295	2.7
131.04942	100.0
135.08061	3.1
137.05965	16.5
138.06793	11.9
139.03923	8.2
147.04462	4.9
148.05173	13.2
151.03879	3.7
151.07541	5.6
161.06042	4.3
163.07556	58.7
166.06285	16.2
175.07611	2.7
179.07039	6.6
181.08604	37.2
194.65526	2.3
219.10298	3.5
237.11293	10.7
245.08086	2.8
255.12300	48.0
255.14642	2.1
257.08051	3.5
273.07550	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	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01885	2.8
55.05507	3.5
57.07067	2.9
67.05501	3.7
69.03432	10.6
69.07072	3.5
69.51298	6.8
69.51710	10.4
70.06590	4.2
71.04987	13.2
79.05506	4.4
81.03432	7.7
81.07065	9.9
83.08697	2.4
84.04514	8.3
84.76986	2.3
85.02903	23.0
91.05480	5.7
93.07063	9.1
95.08635	14.5
97.02897	8.2
98.21487	4.1
99.04493	2.5
105.07034	15.2
107.08613	9.4
109.02896	7.4
109.10154	7.7
110.13165	2.7
119.08589	3.7
121.10151	5.3
123.11717	4.4
125.09609	11.7
126.05489	3.3
127.03897	3.5
127.11216	3.6
131.08527	3.5
133.10138	28.0
143.10718	14.9
145.10101	4.1
147.11703	3.0
149.13266	11.2
159.11740	3.5
161.05928	4.9
161.13280	3.7
167.08533	2.8
167.14339	26.8
170.48645	2.5
181.04947	2.8
183.08040	2.7
195.08083	7.8
196.08839	5.1
197.05978	4.4
201.16441	5.8
211.07585	7.5
212.08463	5.5
219.17450	27.9
223.07466	4.4
224.08344	6.3
227.06998	7.4
227.10727	10.5
229.08678	3.3
237.18504	6.7
239.06953	14.4
240.07645	3.0
241.08572	4.7
242.09413	19.7
255.10233	31.7
257.08099	15.1
258.08838	7.8
272.07492	4.1
272.10455	77.4
273.11218	100.0
315.12161	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	434.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84452	11.8
56.42296	11.9
61.02920	10.3
64.07439	10.7
69.03438	27.6
69.07056	12.2
70.06597	19.2
71.04995	46.3
71.50812	13.9
81.03421	27.0
81.07064	36.1
83.97308	10.5
84.04521	100.0
85.02905	55.8
91.05506	25.2
93.07049	13.9
95.08617	21.0
97.02882	13.9
99.08093	14.7
105.07056	57.5
107.08624	27.6
109.02894	25.0
109.10143	21.3
110.39835	11.1
116.01114	10.9
119.08608	14.9
121.10122	13.9
125.09677	32.1
126.05483	19.0
127.03917	16.4
131.08630	18.8
133.10147	89.0
138.10445	10.6
138.74495	11.1
143.10684	38.4
149.13295	20.7
157.47299	12.3
159.11681	22.8
161.13272	13.3
167.14320	32.4
181.04977	17.3
201.16324	14.7
205.02054	12.7
219.17413	68.9
233.06157	12.7
237.18524	23.0
272.10464	27.6
434.12704	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	435.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01867	0.9
55.05512	0.7
65.03930	0.9
67.05502	1.0
69.03439	3.7
69.07043	0.5
71.04982	2.0
71.50963	1.1
79.05495	1.4
81.03422	29.6
81.07058	1.1
83.01328	0.7
85.02913	10.4
90.68731	0.6
91.05486	100.0
92.05837	0.8
93.07023	1.0
95.04993	0.9
95.08614	0.9
97.02888	4.6
99.04450	4.7
105.03384	1.2
105.07043	2.8
107.08606	0.6
109.02889	24.0
109.10158	0.7
115.05479	8.2
117.07023	9.3
119.04964	2.0
119.08595	0.7
127.03925	45.0
133.06487	8.7
137.06050	0.7
143.04942	9.6
145.06523	2.4
145.10201	0.7
147.11749	0.8
161.05994	54.4
162.06294	1.2
167.06984	0.7
169.04985	5.2
171.04420	30.2
179.07043	8.5
181.05070	0.7
187.06050	4.2
189.05453	4.6
207.06549	1.3
221.08101	5.1
229.07141	2.2
231.06609	0.9
249.07603	1.9
287.09302	0.8
315.08707	0.8
333.09726	1.2
347.11145	2.7
375.10870	2.2
435.12726	0.7
435.32635	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35614	0.6
53.03952	3.7
54.23188	0.6
55.01876	1.6
62.35190	0.6
65.03954	1.1
65.29186	0.6
67.05507	0.9
69.03429	3.1
71.04996	2.5
79.05527	0.6
81.02933	0.9
81.03423	32.7
85.02909	9.1
91.05486	100.0
95.08652	0.9
96.90701	0.6
97.02895	5.6
98.20802	2.7
98.21508	2.3
99.04453	4.9
101.02291	0.7
102.36691	0.6
103.03983	0.9
103.05486	0.9
105.03420	1.0
105.07040	2.7
109.02140	1.1
109.02885	24.2
115.05464	9.7
117.07019	10.2
119.04962	2.4
127.03926	46.0
129.06981	1.0
133.06488	8.8
143.04933	11.5
145.04926	0.9
145.06488	1.7
161.05991	52.5
167.07127	1.4
169.04964	4.7
171.04420	30.0
179.07071	7.8
181.04990	1.1
187.06061	4.7
189.05478	4.5
194.11554	0.8
207.06534	1.5
221.08130	2.3
229.07237	1.8
233.08191	0.8
249.07582	1.4
287.09482	0.7
315.08411	1.1
347.11282	1.7
375.10898	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	Hemiphloin
Peak:m/z	Relative Intensity
55.01889	2.4
57.03433	7.1
64.24209	1.7
68.99803	3.3
69.97538	6.4
81.03427	2.7
85.02916	16.6
91.05466	4.3
95.04979	6.5
97.02898	3.1
107.04981	5.5
109.02882	3.6
119.04955	4.6
121.02879	20.5
123.04430	6.9
125.02382	3.1
127.03912	1.9
147.04439	16.2
151.03940	2.1
153.01843	7.9
163.03923	8.5
165.01846	52.1
171.02908	4.7
177.01843	17.4
183.02928	9.3
187.03847	2.3
189.01854	4.6
191.03372	29.9
195.02892	100.0
199.79430	1.8
203.03392	3.7
205.04968	4.1
207.02852	2.9
215.03322	2.3
217.01198	2.5
219.02901	38.8
231.02878	34.7
233.04338	2.2
236.81006	1.9
243.02922	8.6
249.03882	6.4
261.03967	19.5
273.07660	7.8
279.04987	5.3
285.07608	35.8
297.07687	17.5
315.08640	14.2
339.08603	28.2
351.08591	20.8
363.08826	9.5
369.09531	4.6
381.05399	1.8
381.09564	11.2
399.10709	11.8
433.83307	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.41117	1.4
57.03436	6.3
70.85887	3.7
81.03412	4.2
85.02506	1.8
85.02913	18.2
95.04955	5.5
99.42382	1.6
105.75331	1.7
107.04958	4.4
108.09472	1.6
109.02857	4.1
119.04927	4.3
121.02874	16.9
123.04411	6.3
125.02370	1.5
131.04898	2.3
135.04422	2.5
139.03886	2.9
146.52054	1.6
147.04416	15.0
149.02301	3.2
151.03880	2.9
153.01836	6.7
163.03900	9.1
165.01845	55.9
171.02905	2.9
175.03874	2.1
177.01845	15.2
183.02928	9.0
187.03926	2.2
189.01811	5.8
191.03395	22.9
195.02905	100.0
203.03329	4.6
205.04944	4.4
215.03389	2.7
219.02898	39.0
231.02893	34.0
233.04427	2.3
233.08105	2.8
243.02946	8.5
249.04004	7.9
261.03934	21.8
273.07584	5.8
273.81659	1.8
279.04993	7.4
285.07602	34.7
297.07693	19.1
309.07483	1.9
315.08673	13.1
339.08667	30.3
351.08652	20.4
363.08664	9.8
369.09418	2.3
381.09634	11.2
399.10760	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	435.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.0
57.03443	13.2
60.13003	5.4
65.03938	7.4
67.05512	11.5
69.03440	15.2
70.06606	29.0
70.39439	24.0
72.08152	13.4
79.05490	11.3
81.03406	15.6
83.05001	6.6
84.04487	6.2
84.08144	12.8
85.02908	64.5
86.09715	21.3
91.05490	10.9
95.04976	7.9
97.02906	14.9
107.04964	100.0
109.02902	14.5
117.06973	6.1
119.04937	33.2
120.08134	15.4
121.02873	19.6
123.04441	26.6
127.03905	17.5
133.06497	9.1
139.03883	37.5
145.04991	11.4
145.06517	11.9
147.04424	16.9
151.03929	19.8
153.01859	14.9
163.03990	12.3
165.01848	61.2
167.07025	35.2
173.05954	7.8
177.01871	18.5
181.04968	64.4
183.02972	11.3
187.07625	8.2
191.03421	28.4
195.02892	90.0
206.06264	6.6
219.02962	38.1
221.08015	9.1
231.02896	35.9
233.08035	45.7
233.16568	6.7
245.08040	10.6
249.03973	13.5
257.08170	11.9
261.03949	24.6
261.56387	7.4
273.07654	27.4
285.07516	32.4
297.07516	22.9
303.05066	40.6
315.08151	21.1
339.08594	32.9
351.08533	18.8
363.08514	9.1
381.09464	7.8
399.10342	15.7
417.15482	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	435.1649
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
57.03431	2.1
61.02921	3.4
62.34675	1.0
69.03436	8.5
71.35804	2.0
73.02893	1.4
74.78202	1.0
81.03401	3.5
85.02905	18.3
87.04458	1.4
89.65472	1.0
97.02907	6.8
99.04472	1.6
103.03981	1.1
103.05441	1.1
109.02876	2.4
127.03958	2.7
131.04941	1.6
142.79584	1.0
145.04965	2.2
145.06558	1.0
161.05966	5.0
165.06970	1.7
169.06467	1.1
181.06485	2.6
188.08092	1.1
195.08040	6.9
196.08859	4.0
211.07617	2.6
212.08282	6.1
213.09146	3.0
215.07022	1.3
223.07542	4.2
224.08371	2.6
225.09065	2.2
226.09702	2.1
227.07019	3.4
227.10635	9.6
229.08699	1.2
235.07689	1.4
237.09122	4.2
238.09918	2.2
239.07014	4.1
240.07674	6.9
241.08588	5.0
242.09390	15.8
251.07187	1.8
251.10527	2.3
253.08595	2.8
254.09351	1.9
255.10199	25.3
257.08170	2.7
257.11609	1.8
258.08789	6.4
261.09125	1.6
265.08499	2.1
266.09390	4.1
269.11670	2.8
271.09717	2.5
272.10461	12.1
273.11157	100.0
274.11560	1.5
279.10028	1.5
282.08844	2.5
284.10431	8.7
285.11179	7.0
291.09875	1.2
293.11719	1.5
294.08823	1.6
297.11237	16.5
309.11295	9.4
311.12708	2.4
315.12299	10.9
321.11273	3.0
339.12244	14.9
351.12619	1.3
369.13318	1.7
381.13266	3.2
399.14368	2.2
435.16531	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
50.67735	1.3
53.03935	3.5
53.32630	1.6
55.01859	2.1
55.05497	3.7
55.86886	1.7
65.03921	7.9
66.44615	1.3
67.05500	3.1
69.03416	5.4
71.04982	1.6
74.45387	1.5
78.04700	2.3
79.05494	10.9
81.03415	4.8
81.07048	3.3
82.04214	3.7
83.04993	1.6
83.08599	2.6
85.02889	8.2
91.05480	9.4
93.03403	5.7
93.07040	2.4
95.04949	7.0
97.06509	1.8
98.21627	3.5
100.11269	7.2
103.05489	3.8
105.07059	1.9
106.04140	9.4
107.04947	20.4
107.08504	1.8
108.02068	1.8
110.03644	4.2
111.04424	3.4
115.05424	6.2
117.05744	1.4
117.06995	5.5
119.04987	1.8
121.06512	9.8
122.03629	1.5
123.04389	5.5
124.05203	3.3
125.06000	4.0
127.03898	6.0
129.06963	2.8
131.04945	4.3
131.08618	2.8
133.06485	3.3
135.11685	1.4
137.05977	4.4
138.03113	2.8
141.06976	2.3
142.02565	2.9
144.05678	5.7
145.06474	10.1
147.04355	2.7
149.05981	9.2
153.01801	2.2
153.05450	6.7
153.09084	2.2
153.12772	3.9
155.06001	2.6
155.07080	2.1
157.06483	3.0
159.08038	3.5
161.05927	5.9
167.07039	57.1
171.06511	4.3
172.05173	9.0
173.05962	8.6
177.05473	8.4
177.09206	1.6
181.04955	100.0
181.08389	7.3
182.15370	2.2
187.07556	8.0
189.05534	3.1
190.06273	2.3
191.07071	3.4
191.10518	2.2
193.04980	1.5
195.06476	3.0
200.04729	3.1
201.05447	6.8
205.08716	3.6
206.05734	2.4
209.08083	17.7
210.14850	6.2
217.08615	1.8
218.05663	8.3
219.06474	1.8
219.10124	4.5
221.06238	2.1
221.08052	9.4
226.08209	1.6
233.08070	64.5
235.09689	2.3
251.09203	5.2
263.06741	2.3
263.09213	9.3
273.07669	3.0
273.10968	2.1
279.10052	1.5
305.95102	1.6
307.09668	2.1
331.74515	3.1
353.75943	2.0
355.11557	2.5
367.11786	3.8
381.13235	3.1
384.11734	1.9
387.14432	12.0
399.14285	4.1
417.15479	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1653
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
51.93559	0.4
53.03942	0.8
55.01857	0.8
55.69228	0.5
57.03439	0.8
61.02900	0.9
69.03431	3.7
69.80910	0.5
70.02283	0.5
70.85608	1.3
71.04969	0.7
81.03420	1.8
85.02906	11.8
91.03951	0.6
97.02928	3.1
98.21210	0.6
99.04453	0.6
109.02872	1.3
121.17039	0.5
127.03921	1.9
145.05025	1.0
152.06200	0.8
161.06013	3.6
165.07016	1.9
167.08556	0.8
169.06464	0.6
180.05704	0.8
181.06509	2.1
183.08067	1.2
193.06528	0.6
195.08041	6.9
196.08870	4.1
197.06021	2.4
197.09630	0.6
198.06804	0.6
199.07608	0.6
209.05920	1.4
211.07567	1.7
212.08318	6.6
213.09119	3.1
222.06638	0.6
223.07513	3.4
224.08324	3.9
225.05550	0.9
225.09116	1.5
226.06400	0.6
227.07126	4.3
227.10652	9.6
237.09100	1.9
238.09848	1.9
239.07076	0.8
240.07768	4.8
241.08595	5.8
242.09383	17.7
243.06537	1.5
243.10281	0.7
245.11729	1.0
253.22203	0.6
255.10178	28.5
257.08133	0.9
258.08942	6.7
266.09467	0.7
271.09503	1.0
272.10379	1.6
273.11218	100.0
274.11566	2.1
284.10501	1.1
285.11285	1.0
293.11673	0.6
297.11292	2.8
309.11249	1.9
315.12424	2.0
339.12149	2.6
372.72360	0.6
435.16452	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.7
55.05512	13.8
57.03434	4.1
57.07072	7.3
58.36497	2.5
62.52254	2.5
62.76052	2.4
65.03929	6.3
67.05184	3.5
67.05508	48.1
69.03437	7.7
69.07058	16.1
70.06586	5.4
71.04992	4.6
71.51518	5.1
77.03857	3.0
79.05071	4.9
79.05497	70.6
81.03400	11.7
81.07058	62.9
81.39296	2.6
83.04970	3.4
83.08619	8.7
85.02896	18.4
85.06538	4.5
91.04908	3.4
91.05483	80.4
93.07050	100.0
95.01328	37.5
95.04954	10.4
95.08610	47.2
97.02891	4.1
97.06530	3.9
99.08121	3.4
105.04539	3.7
105.07038	63.9
107.04976	3.3
107.08591	54.2
109.02865	5.3
109.06501	8.3
109.10146	19.6
117.07005	20.5
119.04965	3.2
119.08585	53.1
121.10136	51.8
121.10942	4.5
123.08094	6.2
123.11710	5.7
127.03905	12.8
129.01811	8.9
129.06984	12.7
131.08600	22.0
133.10147	37.3
134.79909	2.6
135.08061	6.9
135.11699	54.6
137.05952	8.0
137.09659	4.5
141.01831	31.1
143.08554	11.4
145.10110	25.6
147.11661	34.6
149.09639	6.9
149.13263	36.6
155.08672	3.0
156.09203	2.8
157.10114	10.9
159.11674	18.7
161.05971	13.0
161.09584	3.2
161.13252	26.5
163.11186	6.5
163.14818	13.5
166.28453	2.6
169.10158	3.4
171.04434	9.4
171.11743	14.4
173.13275	10.4
175.11169	5.4
175.14841	16.1
177.03961	19.9
177.12639	4.7
179.07062	5.4
185.13245	15.0
189.12694	5.1
191.07050	4.4
193.09970	3.3
199.14868	8.5
203.14314	3.8
208.79404	2.7
213.16292	4.1
215.18246	2.9
217.15871	2.9
217.19475	3.6
227.33649	3.1
231.17458	5.0
231.21014	6.8
241.19540	19.9
259.20596	39.1
260.20914	3.9
277.21521	3.0
323.03812	3.0
329.32498	6.1
393.19113	3.3
430.60370	3.4
435.23749	94.3
435.32486	7.5
435.38742	22.7
436.24460	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	435.251
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.01848	5.1
55.05513	25.2
57.03437	6.9
57.07065	8.6
57.56686	4.5
58.32629	5.0
60.70947	4.5
67.05509	64.5
69.07076	28.2
70.71871	15.2
74.44856	4.7
79.05494	17.2
80.86822	4.5
81.07063	73.6
83.04987	5.3
83.08614	22.3
85.06544	7.4
91.05495	27.0
93.07061	22.8
95.08617	64.2
97.06498	8.2
97.10204	7.1
98.98475	73.2
105.07031	32.5
107.08600	26.4
109.06518	48.5
109.10153	34.5
111.08090	6.0
117.07054	7.7
119.08578	20.3
119.14675	5.0
121.10151	16.1
123.11704	13.8
129.06992	5.4
131.08611	11.9
133.10141	17.1
135.11699	7.8
143.08554	10.1
145.10127	14.8
147.11705	12.0
153.05486	6.3
155.01059	15.1
156.09340	4.7
157.10156	14.4
159.11723	6.9
161.09680	5.4
161.13272	8.4
163.11198	5.1
169.10043	6.5
171.11742	5.7
173.13318	6.4
173.84508	5.0
175.14842	6.3
183.11668	4.7
203.14302	4.8
211.14891	5.0
216.65248	4.6
221.13306	5.0
221.15500	6.4
222.14082	4.8
263.23724	28.4
266.71542	4.8
337.27399	100.0
401.87119	5.9
435.32468	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	435.2743
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.74906	3.0
53.03931	2.9
55.05504	6.2
67.05494	7.4
69.03418	6.6
69.07067	9.8
71.51208	4.0
79.05499	3.7
81.03423	33.1
81.07053	12.1
83.08623	4.0
85.02912	24.8
91.05487	100.0
93.07034	8.6
95.08596	12.8
97.02878	3.8
97.10165	8.1
99.04462	5.3
105.07038	9.7
107.04987	6.3
107.08566	5.6
109.02895	25.8
109.10148	5.7
111.11720	3.3
115.05445	12.4
117.07021	14.4
119.04935	19.6
119.08563	6.9
121.10129	5.7
127.03924	62.5
133.06480	10.2
133.10094	5.9
135.11679	5.3
138.74944	3.1
143.04907	11.0
145.06464	4.6
145.10118	5.0
147.04424	53.6
161.05965	44.7
165.05501	6.8
169.04956	3.1
171.04405	35.5
179.06990	4.4
189.05450	3.6
203.17931	3.8
217.19475	7.4
221.08052	3.2
229.06888	3.3
235.20509	6.7
444.46500	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	435.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01879	4.7
55.05513	26.2
57.07057	4.1
62.39773	4.4
65.32952	4.2
67.05505	33.6
69.03421	6.1
69.07065	24.3
70.06590	7.3
71.12183	5.2
79.05511	41.9
81.03405	19.8
81.07059	42.4
83.08601	9.6
85.02902	16.2
85.06564	6.3
91.05488	86.5
93.07040	48.3
95.01324	22.3
95.04951	8.7
95.08600	35.8
97.10174	7.2
105.07027	31.4
107.04928	12.5
107.08592	41.1
109.02849	11.8
109.06504	8.9
109.10143	16.1
115.05448	5.9
117.07008	16.2
119.04900	18.7
119.08578	28.0
121.10137	39.8
123.11687	8.3
127.03922	24.2
129.06976	5.1
131.08530	7.1
133.06435	6.5
133.10146	27.0
135.11693	30.0
139.11182	5.0
141.01785	12.0
143.08577	11.4
145.10121	7.4
147.04422	100.0
147.11649	20.0
149.13239	18.7
151.11169	5.8
157.10164	5.8
158.92409	4.1
159.11705	11.9
161.05949	22.7
161.13274	18.6
163.14844	5.8
171.04408	18.1
171.11740	6.8
173.13295	9.6
175.14784	8.0
177.03992	4.8
179.14290	4.6
185.13289	8.6
187.11165	4.9
201.49907	5.1
217.19447	10.6
235.20546	13.9
241.19441	6.9
259.20624	16.6
435.23599	40.0
435.28156	5.6
435.38284	7.8
441.22824	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	435.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66397	7.1
55.05525	39.0
57.07085	76.1
57.24827	6.5
64.31454	6.6
67.05489	18.9
69.03458	6.0
69.07076	67.3
71.08640	48.9
71.24727	12.7
79.05489	10.8
80.40855	6.9
81.07064	38.9
81.18705	6.3
83.08623	42.7
85.10178	28.9
89.05981	7.9
91.05489	18.0
93.07036	21.7
95.02429	5.8
95.08620	44.8
97.06544	8.1
97.10167	25.8
105.06985	13.7
107.08588	26.4
109.06525	18.0
109.10170	17.9
111.04428	11.4
111.11716	13.1
117.06919	6.3
119.08562	25.3
121.10114	18.1
123.08091	15.7
123.11777	10.9
125.06009	94.1
133.08615	6.8
133.10126	18.0
135.08095	9.8
135.11661	9.4
137.06012	12.7
137.09604	9.9
139.07520	7.7
141.05458	15.8
143.08549	8.2
145.10136	8.4
147.08095	7.7
147.11722	13.2
149.09677	9.6
151.07570	12.8
151.11168	6.4
153.05493	100.0
157.04922	7.9
159.11736	10.8
161.09604	8.2
161.13258	14.4
163.11189	6.7
165.09100	18.6
166.49672	7.6
167.07069	12.8
175.11217	8.3
175.14786	9.5
177.12772	14.1
179.10637	25.7
181.12238	8.3
189.12749	8.0
191.10693	6.2
191.14333	8.0
193.12189	12.7
195.10295	7.2
202.48853	6.3
207.10234	9.6
209.11746	9.6
213.16354	7.1
219.17363	7.3
223.13310	10.1
225.11101	18.6
230.72423	7.0
235.13229	12.5
235.17003	13.0
249.14984	9.4
262.80591	6.9
267.15863	11.7
277.18021	9.2
277.21683	8.5
281.17331	9.7
295.19049	10.5
317.73026	6.8
323.22040	8.6
351.25201	11.7
365.26962	6.7
375.32355	9.9
417.33029	9.3
435.35614	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	435.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73990	0.4
53.03955	0.5
53.74688	0.4
55.05511	3.3
56.05040	19.6
57.07081	1.1
66.93521	0.4
67.05177	0.8
67.05511	10.4
68.05050	0.7
69.06725	0.8
69.07074	9.1
70.06586	1.1
71.04997	0.7
71.08633	0.5
71.13000	0.9
72.04527	1.0
79.05493	2.3
81.07063	4.9
83.08632	1.5
84.08141	0.4
89.06051	0.8
91.05499	5.6
93.07051	4.9
95.04955	0.6
95.08611	6.4
96.61349	0.4
97.06564	1.1
97.10136	0.6
98.09683	0.5
105.07032	2.0
107.08597	2.2
109.06513	3.2
109.10164	15.6
110.09668	0.6
111.08069	1.7
111.11729	1.7
117.07055	0.7
119.04954	0.4
119.08590	4.8
121.10138	1.4
125.09642	1.0
126.12760	0.6
129.07092	0.6
131.08595	0.8
133.10138	0.6
134.09702	0.6
135.11720	1.1
136.11230	3.8
137.09625	5.7
137.13269	0.5
143.08499	0.7
145.10158	1.4
153.05475	1.1
153.13948	0.6
154.12279	100.0
155.12634	0.9
157.10133	0.9
159.11714	0.7
171.14940	68.9
172.15288	0.9
179.08408	0.5
209.13373	0.4
220.36597	0.4
282.28616	0.4
325.10254	0.6
378.02936	0.5
393.30374	0.5
400.35312	0.5
417.27847	0.5
417.33609	0.7
417.38638	0.7
418.36670	2.8
435.29526	0.8
435.39597	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.0
54.40573	4.9
55.01888	7.5
55.05505	26.2
57.03434	6.4
61.02904	8.2
62.97562	4.9
69.03440	28.7
69.56857	13.1
69.57266	29.3
70.06592	18.3
71.04987	8.3
72.08134	11.2
73.02920	5.6
79.05484	10.2
81.03410	22.9
81.07066	68.9
83.08622	100.0
84.08126	7.2
85.02911	77.9
86.09711	15.0
87.00819	39.0
91.05490	10.1
93.07047	35.7
95.04929	7.7
95.08595	10.9
97.02894	36.4
99.04454	11.8
105.01864	77.8
107.04947	26.1
107.08630	26.6
108.05315	7.4
109.02885	15.8
110.07095	5.9
118.96426	5.8
119.04884	7.1
121.02820	7.2
123.04453	7.9
127.03937	55.5
128.94778	5.2
133.70264	6.0
135.11707	20.6
137.13257	25.7
139.03911	15.1
145.04984	33.9
149.05948	8.9
151.27196	5.5
165.01831	8.2
181.04887	7.1
181.08696	6.8
205.13440	4.8
231.05011	22.6
231.64629	5.8
249.06100	24.3
251.64870	5.8
274.07941	7.5
303.04599	7.9
304.05325	22.9
374.00272	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.6
55.01865	4.5
55.05499	6.2
57.03441	3.4
65.03929	6.7
67.05502	4.3
67.49550	3.0
68.54937	3.5
69.03433	27.8
69.07069	6.8
70.06580	15.4
71.05004	5.2
71.51132	4.2
72.08166	5.8
73.02921	4.0
79.05496	18.3
81.03436	23.6
81.07057	19.6
83.04984	2.9
84.08141	8.6
85.02418	6.1
85.02908	54.8
86.09706	16.1
87.00845	23.6
91.05491	22.7
93.07047	85.0
95.04992	5.0
95.08604	14.8
97.02895	33.1
97.06557	7.3
99.04440	12.8
105.01870	23.4
105.07016	8.5
107.04972	16.0
107.07884	6.4
107.08601	100.0
107.92920	3.4
108.05298	8.1
109.02888	28.2
109.10170	9.1
120.08082	4.8
121.06393	4.7
121.36300	3.4
123.04410	4.8
127.03916	50.0
129.01863	4.7
135.11682	73.7
136.07584	3.4
137.05997	6.8
137.13246	5.9
139.02631	2.8
139.03873	8.1
145.04970	23.8
145.10175	3.5
146.21225	3.2
147.04465	7.6
151.02692	3.2
151.03912	4.5
153.12692	6.6
159.02907	15.3
164.06943	4.7
165.12772	3.3
167.06998	6.2
181.05035	6.9
182.05209	3.8
187.06549	3.2
231.05000	11.3
232.89293	4.0
234.08437	5.9
243.13472	5.1
284.27960	3.3
304.05429	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	437.1445
Annotation	Afzelechin 4'-O-beta-D-glucopyranosdie
Peak:m/z	Relative Intensity
53.03948	2.0
54.07201	0.9
57.03429	1.1
60.47353	1.2
61.02930	2.4
67.95320	1.0
68.99786	1.2
69.03428	5.7
70.63821	3.0
81.03413	2.6
85.02906	17.8
91.78002	1.0
97.02907	6.5
103.05514	2.3
107.04968	30.0
109.02885	1.5
111.04488	2.7
114.73534	1.1
121.06500	3.4
124.82767	1.1
127.03915	4.0
139.03912	100.0
145.05005	3.8
145.06505	2.4
147.23500	1.2
149.05977	21.7
151.03929	3.0
154.81300	1.2
163.03886	6.8
177.05513	1.4
181.04955	2.6
183.45697	1.1
191.07051	3.0
203.67667	1.1
205.05031	3.2
235.06068	2.4
239.41342	1.1
257.08078	3.3
275.09161	19.8
437.88998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1445
Annotation	Afzelechin 4'-O-beta-D-glucopyranosdie
Peak:m/z	Relative Intensity
51.88122	0.9
53.03938	1.6
57.03443	1.3
61.02923	2.9
69.03422	4.3
69.99136	1.7
69.99528	2.2
72.01944	0.9
72.08152	1.1
72.81187	0.9
78.72303	0.9
81.03452	2.1
84.52071	0.9
85.02911	16.5
91.03912	1.2
95.04958	1.1
97.02895	6.0
97.72879	0.9
98.21423	1.4
98.94669	0.9
103.05436	1.5
107.04966	36.1
109.02876	1.7
111.04470	2.9
121.02903	1.0
121.06506	2.3
127.03929	3.3
132.25067	1.0
136.60315	1.0
139.03909	100.0
140.04195	1.2
140.24965	0.9
145.05013	2.6
145.06491	3.2
149.05986	19.5
151.03908	2.8
161.06052	1.2
163.03912	6.4
169.04948	1.7
181.05013	2.7
189.36931	0.9
191.07025	2.3
200.44102	1.1
204.03920	1.0
205.04942	5.5
214.43918	1.0
235.06006	1.3
247.06015	1.0
257.08124	4.0
265.07211	1.2
270.40433	0.8
275.09152	18.0
301.09131	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1447
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03957	1.0
54.59507	0.3
54.83021	0.4
55.01862	0.8
67.05499	0.5
68.99780	0.6
69.03422	0.8
69.07077	1.1
69.12103	0.5
70.06589	0.8
71.51100	0.4
75.05597	0.5
76.12844	0.3
79.05482	1.3
81.03421	0.8
81.07030	0.6
84.04505	0.9
84.08146	2.5
85.02914	2.8
86.09711	7.7
87.10054	0.5
91.05487	0.9
93.07061	0.8
95.04989	1.4
95.08604	0.6
97.02897	1.1
100.24008	0.3
101.26131	0.4
102.05560	0.4
103.03939	1.0
105.04539	0.6
105.07056	0.5
107.04961	100.0
108.05295	0.9
109.02888	1.0
111.00938	0.4
114.19814	0.4
119.04977	1.1
121.02911	0.9
121.06548	0.6
123.04420	1.6
127.03933	0.9
129.10268	1.4
131.04933	1.1
132.10300	0.4
135.04478	0.4
135.11739	0.5
136.07593	1.5
137.06030	1.2
139.03899	3.8
143.11833	1.9
145.06523	0.4
145.10109	0.4
147.04440	0.8
149.06009	2.0
151.03922	3.9
154.63672	0.4
161.06018	0.4
163.03940	2.8
165.05545	0.7
167.07047	0.7
169.05002	1.0
169.06451	0.4
171.11537	0.4
173.05977	1.0
175.03859	0.9
181.04965	4.5
187.03900	0.5
189.05545	1.2
193.04955	7.8
195.55501	0.4
205.04980	2.4
207.06564	1.6
211.06010	4.6
211.09814	0.4
217.05045	0.9
219.06598	0.5
223.06000	0.4
229.05032	1.3
235.06039	6.4
241.05029	1.2
247.06017	3.6
257.08218	0.6
259.06058	2.6
275.09177	2.7
277.07214	1.0
287.09109	5.5
295.08093	0.6
299.09131	4.6
317.10226	5.9
335.09192	0.5
341.10202	9.4
353.10239	7.9
355.12082	0.5
365.10263	4.2
383.11288	1.8
387.34442	0.4
401.12543	1.2
437.21576	1.3
439.73279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.8
55.05512	14.6
57.03440	3.4
57.07078	3.1
65.03941	3.8
67.01842	1.7
67.05508	82.2
69.03420	3.4
69.07072	13.1
70.69342	4.8
79.05499	36.5
81.07063	100.0
83.04961	2.3
83.08621	6.8
85.02905	9.7
85.06540	3.3
91.05482	21.9
93.07047	45.0
95.01333	41.7
95.04984	2.0
95.08614	81.3
97.02901	3.0
97.06543	2.9
97.10202	1.9
105.07042	16.2
107.08604	27.3
109.06493	2.0
109.10158	46.0
111.00797	1.9
111.08099	1.9
113.02362	4.3
117.07024	8.5
119.08588	14.8
121.10157	24.4
123.08096	3.3
123.11714	25.8
125.09663	2.3
129.01849	5.2
131.08565	16.4
133.10133	9.8
135.11702	16.1
137.09648	4.4
137.13272	9.4
137.41411	1.6
139.11201	2.2
141.01846	25.4
145.10120	13.0
147.11682	7.4
149.13240	9.8
151.11159	4.6
151.14792	4.5
153.12785	2.1
159.11696	11.1
161.13271	7.0
163.11214	3.0
163.14809	7.7
165.12807	3.0
165.16379	2.0
167.14336	2.5
173.13269	11.6
175.14862	2.0
177.03967	23.4
177.12695	1.9
177.16437	4.7
179.14322	4.0
187.14851	6.2
191.14233	3.2
201.16423	2.7
205.15883	3.0
243.21043	19.6
261.22153	47.0
261.32947	2.0
330.17175	1.7
381.19681	1.8
419.18262	1.7
419.23755	2.0
437.25400	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	437.3028
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
55.05485	1.0
57.50069	0.5
59.63525	0.6
67.05482	2.0
69.07069	0.9
70.34029	2.4
79.05486	0.8
81.07051	2.9
82.49062	0.7
89.06046	1.6
91.05485	0.8
93.07051	1.2
94.26628	0.6
95.08586	2.3
105.07014	0.9
107.08598	1.5
109.10141	1.2
118.74997	0.6
119.08605	1.3
121.10137	1.3
123.11684	0.7
133.10175	0.9
135.08105	0.8
145.10194	0.8
147.11665	0.7
154.12224	1.3
155.12634	1.2
157.10085	0.7
166.87688	0.6
171.14906	1.2
173.15672	0.6
175.04530	0.9
205.77425	0.6
213.51265	0.6
239.14865	1.2
263.10089	0.6
279.23074	0.8
321.22833	1.1
343.10370	0.7
397.69849	0.6
419.29147	1.8
437.30273	100.0
438.30533	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	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.05299	1.8
55.05515	18.4
57.07064	6.5
58.48071	2.1
65.03931	2.6
67.05505	29.4
69.03429	2.6
69.06728	2.4
69.07073	27.6
69.46560	6.5
69.46989	6.9
71.04992	4.4
79.05493	25.2
81.03413	2.9
81.07059	63.6
83.04992	4.6
83.08605	8.3
85.02897	4.6
85.06516	2.4
87.31620	1.8
91.05476	24.9
93.07047	49.0
93.07631	2.8
95.04951	5.7
95.08609	88.7
97.06561	3.1
97.10157	6.0
98.20816	3.2
99.08062	2.1
105.07028	53.4
107.04942	5.6
107.07874	4.2
107.08592	68.4
109.02882	3.0
109.06503	3.2
109.10162	51.4
111.04452	2.7
111.11761	2.6
116.07375	1.8
117.07024	11.4
119.08582	48.7
121.06571	2.7
121.10149	50.0
123.08098	3.5
123.11710	19.7
125.09654	1.8
127.03906	1.8
127.11121	2.7
128.06247	3.1
129.07013	5.7
131.08565	23.2
133.10144	36.7
135.08076	2.5
135.11708	34.8
137.05945	4.0
137.09679	2.5
137.13232	16.5
141.07007	2.1
142.07759	3.8
143.08566	15.0
144.09430	4.2
145.10127	32.0
147.11699	40.1
149.09613	2.8
149.13255	29.3
151.11220	2.4
152.86163	1.8
155.08553	3.5
156.09296	4.1
157.10121	17.1
158.10860	2.4
159.11711	30.7
161.13263	19.4
163.11226	4.2
163.14810	10.5
165.12862	1.9
168.09291	1.8
169.10164	6.5
171.11688	18.0
173.09508	2.5
173.13290	17.7
175.14780	15.7
177.16402	22.7
182.24278	2.0
183.11708	8.1
185.13269	16.0
187.14851	30.4
189.16412	22.5
191.10626	2.1
191.17952	7.1
195.11649	2.8
196.12378	2.4
197.13307	7.2
198.13965	1.9
199.14839	12.8
201.16409	25.3
203.14290	3.6
203.17932	31.2
205.15918	2.4
205.19505	3.3
209.13275	3.2
211.14778	7.7
213.16368	13.1
215.14493	2.4
215.17966	15.6
217.19576	9.4
219.13826	3.0
225.16402	7.4
227.17960	6.5
229.19540	5.3
233.15439	4.8
236.31041	1.8
239.18004	7.9
241.19528	11.2
243.21115	3.1
245.15303	2.2
247.17052	2.9
251.17940	3.3
253.19545	5.6
255.21158	5.1
259.16898	6.5
267.21118	7.1
269.22754	4.5
273.18677	3.9
279.21170	2.6
281.22610	4.3
287.19983	4.0
293.22574	2.4
295.24121	3.3
313.21667	4.0
320.27969	1.9
325.22049	2.4
327.23276	4.2
351.27362	1.8
353.24670	3.1
381.28174	3.4
391.33649	22.1
395.29376	3.7
419.33258	12.7
437.34171	100.0
438.34830	3.1
453.38971	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13562	6.3
54.68307	6.7
55.05494	12.9
57.07065	12.7
58.54127	5.8
61.00390	6.1
67.05485	12.1
69.07053	16.5
69.27116	28.1
69.27550	33.7
70.55326	5.9
71.08620	11.3
73.80393	6.1
79.05510	7.2
81.07056	32.8
83.01330	11.1
83.04974	13.8
83.08605	16.6
89.06005	12.2
91.05440	9.4
93.07018	13.7
95.08589	27.0
97.06509	13.3
105.07020	11.7
107.08631	11.6
109.10138	18.5
119.08597	10.5
121.10138	12.5
123.11645	8.3
125.06017	62.6
133.10085	8.6
137.06003	8.4
139.03877	7.2
145.10210	7.2
147.11671	7.0
149.13252	10.0
153.05475	100.0
173.13252	6.6
177.12740	7.2
191.10500	7.5
279.23077	7.9
323.02499	6.6
365.69821	6.8
386.96960	7.3
419.35220	91.6
420.60519	8.5
438.31396	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	438.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26009	0.7
57.03439	0.8
61.02911	0.7
69.03419	1.4
70.06567	2.2
71.51241	0.8
72.08138	0.9
76.60028	0.6
81.03417	1.4
84.08147	1.0
85.02913	8.0
86.09684	0.7
90.70177	0.6
97.02893	1.6
109.02876	0.9
120.08080	0.8
127.03912	1.4
135.01617	0.6
139.70050	0.9
147.04425	1.6
152.06256	0.8
153.78362	0.6
158.45546	0.6
165.06995	1.4
167.08585	1.2
177.01993	0.6
177.07001	1.2
181.06506	7.4
183.08070	2.3
185.09579	0.8
195.02916	0.7
195.08098	4.0
196.03407	0.8
198.06819	1.6
205.06398	0.8
206.07185	0.7
208.05261	2.6
209.05960	2.7
210.06821	4.9
213.09114	5.6
223.07556	1.6
226.06239	8.2
232.06175	0.8
237.09134	0.8
241.08604	100.0
242.08865	2.3
251.07024	3.0
265.08627	1.2
307.09476	1.0
439.22870	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81329	1.8
51.62997	1.8
57.07080	80.9
60.91566	1.9
63.19746	1.6
68.61440	1.6
69.07064	7.0
69.22562	12.8
69.22967	4.3
71.08236	3.6
71.08634	67.9
72.32566	1.6
72.94911	2.0
73.06571	2.3
83.08617	4.4
85.10187	41.8
89.06037	100.0
91.05466	1.9
93.07056	3.6
94.13678	2.1
95.08628	2.9
97.10196	2.3
97.65099	1.9
99.11736	7.1
105.07014	3.6
107.07071	3.0
107.08611	3.4
109.10153	3.7
111.11703	4.3
113.13290	4.4
119.08580	2.2
124.51118	1.9
127.14822	3.8
131.08612	2.1
133.08612	61.0
133.10126	2.8
145.10091	2.5
151.09663	4.4
152.31264	2.0
177.11255	13.8
195.12358	2.6
221.13852	2.3
239.14905	43.7
420.33411	2.3
421.35187	30.2
434.16779	2.1
439.35913	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	439.1578
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
54.33344	0.5
55.05497	0.5
68.81104	0.5
69.71566	0.8
69.71975	2.1
70.06597	2.8
72.08157	5.3
74.52354	0.4
83.01097	1.0
84.04498	0.7
84.08146	1.3
86.09698	1.3
91.05515	0.8
95.01060	2.3
96.01897	0.7
98.20790	0.7
103.96139	0.4
107.04963	0.6
110.07166	1.9
112.01383	0.7
113.02130	2.8
120.08090	4.1
121.02869	0.6
129.10257	0.6
136.07597	1.1
167.03069	0.8
185.04207	3.6
187.10878	0.5
201.03754	1.3
202.05986	3.7
203.05241	0.5
205.11829	0.6
207.11353	0.7
222.89568	0.5
223.15466	0.7
259.07892	1.0
260.18289	0.5
294.80560	0.5
295.05969	0.7
307.06055	1.3
325.07156	1.3
332.11044	0.5
365.10254	0.9
391.08044	0.5
421.09134	0.7
424.18823	0.6
439.15771	100.0
440.16071	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05516	2.3
65.03928	1.4
67.05522	4.0
69.03442	5.1
69.07088	1.8
77.15648	0.7
79.05497	5.3
80.70245	0.7
81.03420	1.7
81.07058	6.6
83.04993	2.1
85.02904	2.6
87.00833	1.1
91.05487	6.4
93.07043	4.4
95.04974	3.7
95.08604	2.3
97.02900	1.5
98.21574	1.4
105.07033	9.3
107.04980	2.4
107.08591	17.2
109.02910	1.2
109.06522	2.5
109.10164	8.3
115.05486	1.6
117.07030	1.2
119.08585	4.5
121.06511	2.1
121.10148	11.9
122.07292	6.5
123.08075	1.3
127.03920	2.3
129.01874	1.1
131.08565	3.2
133.10136	100.0
134.10452	1.5
135.08072	5.4
135.11703	2.3
137.09621	48.0
143.08629	0.8
145.10114	1.3
147.11708	1.5
149.09648	4.6
149.13243	8.2
151.11259	1.2
158.10904	1.2
159.11812	1.0
161.09662	1.1
163.14830	2.1
173.13263	5.8
186.87416	0.8
191.14307	37.1
191.50832	0.8
201.12837	1.1
229.33507	1.0
233.15433	1.1
257.21930	0.8
403.17392	1.0
421.18735	1.3
439.18787	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
55.01878	0.8
55.05514	2.7
57.03423	0.7
57.07076	0.9
61.02917	0.9
63.76731	0.5
67.05508	4.2
69.03428	6.6
69.07051	2.6
70.06586	1.2
71.04986	0.6
71.09710	1.3
79.05499	6.3
81.03408	0.9
81.07054	6.7
83.04988	3.2
83.08618	0.9
85.02904	2.8
85.06549	0.7
87.00825	0.9
91.05487	8.0
93.07061	4.7
95.04964	4.0
95.08630	2.7
97.02906	2.0
97.06556	1.0
98.09707	2.5
99.04413	0.7
100.07605	0.8
100.11246	1.8
103.05454	1.2
105.01878	1.2
105.07046	9.5
107.04977	3.6
107.08606	19.1
109.02882	1.7
109.06537	3.1
109.10162	6.7
110.06026	0.8
111.04475	1.4
111.08124	0.9
112.07650	0.7
115.05457	1.1
117.07023	2.2
119.06070	0.5
119.08598	5.7
121.06501	2.2
121.10154	11.4
122.07294	6.3
123.08083	1.4
123.11728	0.6
127.03937	3.3
128.06187	0.6
128.07072	0.8
129.01811	0.6
129.07024	0.6
131.08586	2.3
133.10138	100.0
134.10434	1.3
135.07086	1.0
135.08046	5.6
135.11707	1.7
137.06059	1.3
137.09625	51.0
138.09956	1.2
142.07719	0.6
143.08557	1.7
144.09366	0.6
145.04958	1.1
145.10135	2.2
147.08023	0.9
147.11673	2.3
149.09630	6.3
149.13258	9.9
157.10178	0.9
158.10922	0.9
159.11748	1.6
161.13239	1.1
163.14821	2.2
168.13864	1.8
170.15436	1.0
171.11649	0.8
173.09833	0.7
173.13272	6.6
182.15421	2.0
187.11256	0.6
187.14844	0.6
189.12817	1.2
189.16383	0.7
191.14316	36.4
196.13339	1.3
198.14925	1.9
201.12846	0.8
203.14438	0.9
205.15825	0.6
210.14912	1.7
225.16112	0.6
244.20183	0.9
291.15909	0.9
295.23907	1.0
317.17477	0.8
335.18628	1.0
353.19556	0.7
421.18555	0.9
422.30063	0.7
439.15909	0.6
439.23340	3.7
439.32495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2306
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
52.82457	0.3
55.05505	0.9
60.66775	0.3
67.05522	0.7
69.03432	0.4
69.07075	0.6
70.06595	0.8
71.51509	0.5
79.05489	0.9
81.07048	1.5
83.04968	0.4
84.08121	0.3
86.09700	0.4
91.05482	0.9
93.07043	1.0
95.05000	0.4
95.08609	2.8
96.01900	0.4
97.02718	0.3
97.10173	0.4
105.07018	1.5
107.08617	2.0
109.02858	0.4
109.06532	0.3
109.10181	1.0
113.02170	0.4
117.07057	0.3
119.08574	1.4
120.00037	0.4
121.10160	1.0
123.11712	0.6
131.08597	0.7
133.10139	1.6
135.11693	0.8
143.08600	0.4
145.10149	0.9
147.11697	1.0
149.13264	1.0
159.11723	0.6
161.13283	0.6
163.14819	0.4
169.04771	0.4
171.11772	0.4
173.13199	0.5
175.14749	0.5
185.13577	0.4
187.14830	0.7
189.16328	0.6
191.17924	0.5
196.78688	0.3
201.16382	0.6
203.05280	3.3
213.16150	0.4
215.18196	0.4
231.17395	0.4
259.16696	2.1
277.17819	1.5
284.94772	0.4
369.18903	5.1
421.34760	0.8
439.23071	100.0
440.23480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
56.86826	0.6
59.46534	0.5
67.05519	0.7
69.03434	1.1
69.07049	1.2
69.51832	4.2
70.06593	0.9
79.05479	0.9
81.07046	2.1
83.08605	0.8
85.02943	0.8
91.05485	1.2
93.07037	1.5
95.01072	0.8
95.04953	0.7
95.08613	3.1
96.01869	0.7
105.07040	1.7
107.04990	0.6
107.08593	2.9
109.10160	1.5
113.02119	0.6
119.08583	1.8
121.10150	1.7
123.11734	0.8
133.10121	1.7
135.11667	0.8
145.10143	1.1
147.11696	1.3
149.13271	0.6
157.10139	0.7
159.11665	1.1
169.04773	1.0
173.13278	0.8
182.15465	0.6
185.13307	0.6
186.05118	0.7
191.14337	0.6
199.14830	0.7
203.05299	2.9
217.15831	0.6
259.16742	2.8
261.18320	0.9
277.17773	2.9
369.18835	7.2
421.34708	0.8
439.23056	100.0
440.23441	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
51.20557	3.4
53.03934	4.7
55.05515	20.2
57.07083	5.7
67.05511	27.2
69.07075	23.9
71.05011	3.9
71.51322	4.8
79.05496	20.6
81.07056	58.5
83.04966	7.4
83.08622	9.7
91.05473	31.4
93.07043	53.3
95.04932	4.9
95.08610	100.0
97.06539	7.0
97.10184	5.4
99.08151	3.9
103.05498	4.9
105.07027	50.1
107.04959	6.8
107.08597	71.4
109.03011	3.7
109.10170	45.3
111.08093	18.8
117.07018	8.3
119.04952	12.4
119.08577	71.4
121.06564	3.7
121.10154	48.7
123.08110	6.5
123.11718	23.8
125.09627	8.0
129.07021	4.4
131.04930	15.9
131.08578	24.3
133.10133	47.4
135.11700	32.2
137.13264	8.0
139.11195	23.3
143.08571	11.5
145.10130	35.9
147.04422	24.3
147.11687	34.7
149.02341	5.3
149.13269	36.0
157.10146	14.1
159.11690	37.0
161.13260	36.8
163.11230	6.1
163.14813	13.4
165.12778	6.3
169.10164	6.8
170.10890	3.6
171.11737	13.4
173.13257	21.5
175.07509	7.4
175.14833	23.8
177.12756	6.0
177.16354	19.3
183.11842	6.1
185.13338	10.0
187.14867	20.1
189.16435	17.9
190.97369	3.9
191.14272	5.0
191.17921	10.0
193.04956	10.3
194.05357	7.7
197.13316	4.6
199.14830	13.2
201.16383	27.7
202.26854	4.5
203.14508	4.4
203.17943	16.6
205.15906	9.8
207.17442	7.5
211.14893	5.2
213.16377	15.0
215.18002	28.8
217.19569	5.3
219.17419	18.4
225.16409	4.1
227.17969	12.0
229.19450	6.6
231.17410	5.0
241.19487	6.8
245.19017	20.4
267.20941	4.5
269.22763	4.0
273.22244	6.1
285.22150	6.5
287.23801	5.6
299.23941	6.9
381.31519	10.5
403.33191	4.6
421.34753	30.9
439.35873	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	439.3576
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05518	25.4
57.07069	13.0
59.01997	4.0
59.05006	4.8
60.95363	3.6
67.05515	30.4
69.07072	29.2
71.08636	8.8
79.05504	23.7
81.07058	79.8
83.04980	11.8
83.08623	19.2
84.13024	3.4
85.06580	4.1
89.06026	11.5
91.05483	25.6
93.07053	60.7
95.01329	6.0
95.04976	4.9
95.08617	98.2
97.10181	7.6
105.07055	53.2
107.08608	98.5
109.06521	8.0
109.10169	75.5
109.57059	4.1
111.08090	5.3
119.08590	80.9
121.06536	5.7
121.09348	4.7
121.10162	71.9
123.08082	6.8
123.11721	26.6
125.09631	3.8
131.08612	21.0
133.08588	5.3
133.10150	63.5
135.08038	6.0
135.11710	60.7
137.09648	7.5
137.13274	17.4
141.01849	6.0
143.08580	5.9
145.10152	25.9
147.11694	51.5
149.09625	10.7
149.13269	28.5
151.11128	5.7
157.10100	11.1
159.11690	28.1
161.09587	6.9
161.13290	33.0
163.11203	5.0
163.14830	25.9
165.12643	5.9
170.11108	3.8
171.11716	9.7
173.13295	14.5
175.11270	9.5
175.14867	25.0
177.16428	14.9
180.09970	3.7
185.13219	7.2
186.46617	4.3
187.14847	22.7
189.16405	66.1
191.17967	100.0
199.14841	10.5
201.16441	20.4
203.17947	69.1
205.19530	16.0
207.17461	5.8
213.16457	7.0
215.17917	11.0
217.15871	21.5
217.19536	14.5
219.17546	9.6
223.14557	4.0
225.16354	5.0
231.17528	34.0
245.22829	5.9
249.18611	8.0
263.23715	10.6
311.23767	5.4
323.27338	9.7
393.35440	5.2
403.33569	5.4
421.34720	93.3
422.35889	4.8
439.22522	5.4
439.31281	21.2
439.35730	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	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.05516	8.7
57.03445	1.5
57.07074	3.3
59.05006	1.1
67.05511	25.5
69.03410	1.9
69.07078	15.3
71.05006	2.7
71.17936	1.6
74.36932	1.0
76.04704	1.2
79.05499	12.4
81.03416	1.6
81.07062	47.9
83.04971	1.5
83.08632	6.9
85.02911	3.1
91.05492	11.7
93.07053	30.5
93.07634	1.7
95.04971	2.8
95.08611	100.0
97.06532	3.2
97.10168	4.0
103.05497	1.2
103.17225	1.2
105.07041	24.8
107.08596	36.0
109.06525	2.3
109.10164	42.3
111.08083	5.2
113.06027	1.8
117.07012	2.3
118.71831	1.2
119.08590	22.3
121.06520	1.2
121.10149	35.1
123.08076	5.2
123.11710	19.4
125.09622	3.2
131.08588	4.5
133.10149	20.1
135.08049	1.9
135.11713	26.4
137.09656	2.0
137.13274	10.7
137.39622	1.1
139.07547	1.4
141.09128	1.8
143.08635	2.2
145.10126	8.3
147.04346	1.4
147.08092	1.5
147.11703	20.0
149.13268	20.2
151.11139	1.4
151.14795	1.3
157.10100	3.2
159.11697	11.6
161.09615	3.3
161.13254	22.5
163.14804	5.7
165.09161	1.2
165.12837	1.2
171.11700	3.8
173.13272	8.8
173.63922	1.1
175.11264	3.0
175.14832	14.6
177.16405	4.2
185.13239	2.7
187.14841	3.4
189.12804	1.5
189.16373	11.2
191.14352	1.7
191.17960	56.6
199.14731	1.5
201.16338	5.7
203.14290	1.2
203.17943	14.7
205.15820	2.0
205.19586	4.5
213.16405	1.7
215.17941	3.5
215.92854	1.1
217.15828	1.2
217.19524	9.8
221.15399	1.8
229.19482	2.3
231.17459	4.5
235.16904	6.0
243.21121	3.2
247.16901	7.5
249.18521	9.5
257.22711	3.8
285.25836	1.2
287.19913	1.4
297.25650	1.1
315.12476	2.8
317.37488	1.2
421.34799	2.5
439.23224	2.5
439.35757	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68587	1.1
55.05509	8.5
57.07066	5.1
59.31240	1.2
62.75363	1.7
63.11453	1.1
67.05507	23.7
69.03435	1.6
69.07071	14.3
69.66958	5.7
69.67378	3.0
79.05497	10.5
80.76965	1.1
81.07057	42.1
83.08611	5.8
86.94577	1.4
87.04433	1.2
91.05488	9.3
93.07051	29.0
95.04957	3.3
95.08610	100.0
97.06519	3.7
97.10153	3.1
105.07032	23.7
107.08607	32.9
109.06543	1.5
109.10161	44.6
111.08078	3.8
117.06957	1.5
119.07793	2.5
119.08574	23.1
121.06574	2.0
121.09316	2.4
121.10151	28.1
123.08061	4.4
123.11720	17.3
125.09625	3.1
131.08560	4.7
131.37625	1.2
133.10124	18.0
135.11687	24.4
137.13274	9.0
139.07558	1.3
141.09111	2.4
145.10181	7.2
147.08017	2.9
147.11667	20.0
149.13268	14.4
151.14909	1.5
153.08983	1.2
153.82870	1.4
157.10138	4.0
159.11700	8.0
161.09567	2.0
161.13261	21.6
163.14781	5.0
171.11710	2.2
173.13290	9.1
175.11136	3.3
175.14839	14.4
177.16429	1.6
187.14830	4.1
189.16406	8.0
191.17941	58.2
199.14825	2.4
201.16418	3.1
203.17953	13.7
205.19550	6.0
215.17944	3.3
217.19481	9.9
221.15251	1.4
231.17395	3.6
231.21149	1.8
235.16899	4.4
243.21098	3.3
247.16969	7.9
249.18506	9.2
253.19212	1.4
257.22665	2.5
301.21609	1.5
421.34631	3.0
439.22934	1.6
439.35709	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03940	4.5
55.05511	16.7
57.07073	4.0
59.10132	2.3
67.05507	29.3
69.07063	20.4
69.62579	9.8
69.62994	4.7
73.19549	2.4
79.05499	24.8
81.06590	3.8
81.07059	66.8
83.04969	4.8
83.08612	9.8
84.45043	2.0
91.05476	31.2
93.07043	64.0
95.04986	3.7
95.08611	100.0
97.06556	3.8
97.10165	5.8
103.05411	2.8
105.07034	65.9
107.08606	78.4
109.06532	6.4
109.10160	55.3
111.08092	16.3
111.11704	2.5
117.07001	12.6
119.08585	77.2
121.06516	3.4
121.09328	4.2
121.10153	54.2
123.08083	4.8
123.11705	19.9
125.09634	3.5
129.07001	6.2
131.08554	26.6
133.10141	53.0
133.11110	4.9
135.08073	3.3
135.11702	32.5
137.05922	2.2
137.13255	4.5
141.07079	2.4
142.07803	4.1
143.08545	12.3
144.09293	4.2
145.10130	46.1
147.08002	3.4
147.11691	45.1
149.09660	3.0
149.13255	36.3
155.08582	4.9
156.09363	5.8
157.10165	16.4
159.11705	43.8
161.09563	4.0
161.13268	40.5
163.11176	6.8
163.14810	12.5
169.10063	4.8
171.11679	13.0
173.13257	33.2
175.11174	3.2
175.14838	30.0
177.12794	6.5
177.16359	20.4
179.14363	3.8
183.11703	4.6
184.12421	2.3
185.13203	13.1
187.14798	26.8
189.12801	3.4
189.16382	31.3
191.14299	7.5
191.17940	9.4
193.15903	3.0
197.13283	5.3
199.14798	13.5
201.16399	33.7
203.14363	5.0
203.18031	20.2
205.15919	18.8
207.17493	8.6
211.14819	4.4
213.16409	15.0
215.17940	34.7
217.15971	5.4
217.19514	13.8
219.17433	9.7
225.16405	6.8
227.17909	8.5
229.19536	6.7
231.17451	8.3
233.19081	11.4
239.18135	3.5
241.19501	5.1
243.21088	3.6
245.19025	7.0
250.17023	2.7
253.19537	5.0
255.21107	5.4
259.20706	2.7
267.21072	3.5
269.22528	4.2
273.22079	4.6
281.63034	2.4
349.19714	2.4
363.30450	6.7
381.31424	7.8
391.33344	4.0
403.33508	9.4
409.34491	5.8
421.34668	49.4
439.23425	11.4
439.29785	5.1
439.35721	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.1
55.05508	15.4
56.06934	2.1
57.07062	5.7
64.31545	2.1
67.05505	31.6
69.03431	3.3
69.07071	25.4
69.52183	13.9
71.05000	2.3
78.29695	2.0
79.05486	21.8
79.38403	2.0
79.92273	2.1
81.06596	3.5
81.07059	53.3
83.04976	5.2
83.08606	8.9
85.06537	2.9
91.04977	2.8
91.05489	28.6
93.07052	48.6
95.04964	6.3
95.08611	100.0
97.06522	6.6
97.10163	5.3
98.20853	4.5
98.97595	3.7
103.05428	3.0
105.07034	61.1
107.07876	3.8
107.08599	68.4
109.06476	6.0
109.10158	52.1
111.08080	20.3
111.11695	3.1
113.09660	2.7
117.07032	11.0
119.08585	68.5
121.06509	2.7
121.10147	49.0
123.08069	6.6
123.11707	15.6
125.09694	2.6
128.06244	3.5
129.06989	8.3
131.08563	28.9
132.07986	2.3
133.10139	44.8
135.08080	3.0
135.11691	25.8
137.09618	3.0
137.13268	4.4
142.07785	3.2
143.08537	14.8
144.09370	3.0
145.10121	47.3
147.11702	39.4
149.09627	3.4
149.13257	23.6
151.11159	5.4
155.08540	6.0
156.09326	3.0
157.09131	2.1
157.10161	22.0
158.10841	2.6
159.11702	40.3
161.09732	3.4
161.13258	37.3
163.11226	2.9
163.14856	16.4
165.12755	4.7
169.10112	6.2
171.11667	13.2
173.13254	24.2
175.14836	24.8
177.12770	4.0
177.16373	12.7
179.14313	14.6
182.10957	3.1
183.11674	7.3
185.13248	11.9
187.14830	23.3
189.12837	4.1
189.16406	24.2
191.14297	5.0
191.17947	8.7
193.15834	4.3
197.13243	5.8
199.14828	13.4
201.16360	26.1
203.14290	5.8
203.17944	14.2
205.15868	17.2
207.17435	3.1
209.13127	3.3
211.14818	7.9
213.16376	17.7
215.17986	20.7
217.15912	5.6
217.19505	9.9
219.17422	9.8
223.14758	2.7
225.16376	6.8
227.17958	12.5
229.16029	3.0
229.19409	5.3
231.17471	10.8
233.19006	8.2
239.17856	3.2
241.19525	5.8
243.17390	3.5
245.19106	2.7
247.20654	2.9
251.17833	2.6
253.19504	6.8
255.20998	5.9
259.20535	2.7
262.76306	2.5
267.21063	7.3
271.20642	3.0
281.22800	3.7
285.22046	5.2
297.21777	2.7
299.23843	2.2
363.30478	4.1
381.31689	4.6
393.35513	2.2
403.33466	7.1
409.34610	10.9
421.34653	40.5
439.35785	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05520	13.2
56.44907	1.4
56.78557	1.4
57.07078	5.5
59.04998	1.7
67.05509	22.5
68.89709	1.5
69.03430	3.9
69.07079	17.9
70.73870	1.6
71.04994	4.1
71.51102	2.6
79.05498	15.0
81.07065	41.5
83.04996	3.6
83.08640	8.8
85.06544	2.0
91.05492	18.3
93.07052	33.6
95.04967	5.2
95.08617	59.3
97.06544	1.7
97.10181	6.9
105.07038	36.6
107.04966	3.0
107.08607	53.0
109.06534	3.0
109.10171	40.4
111.08063	2.0
115.05458	1.9
117.07005	4.3
119.08597	49.4
121.06535	2.5
121.10151	42.6
123.08059	3.3
123.11700	16.8
125.09638	4.3
127.11204	2.6
129.07057	2.3
131.08583	9.7
133.10144	42.7
135.08029	3.3
135.11694	26.1
137.13266	7.2
143.08517	4.4
143.09586	1.5
143.10695	1.8
145.02826	2.7
145.06380	2.0
145.10132	15.9
147.11697	36.7
149.09636	3.9
149.13260	17.8
150.29431	1.7
151.07495	1.6
153.09117	4.2
155.08539	1.9
157.10143	6.4
158.37036	1.6
159.11729	14.2
161.13266	24.3
163.14827	9.9
165.09119	1.8
167.10646	4.2
169.10158	3.9
171.11739	6.0
173.13315	10.4
175.14854	13.5
177.05560	3.5
177.16400	10.1
179.10709	3.2
183.11775	1.8
185.13246	4.0
187.11143	1.7
187.14804	8.5
189.16403	38.6
191.17957	67.1
193.12256	3.1
197.13257	3.3
199.14859	6.5
201.12944	1.7
201.16394	15.3
203.17978	100.0
205.19505	12.6
207.17441	3.0
213.16431	4.4
215.17976	7.7
217.15948	2.9
217.19511	10.9
221.19029	4.9
225.16570	2.0
227.17912	2.9
229.19476	3.2
231.17473	4.3
231.21072	3.4
235.16881	4.6
243.20990	2.3
247.16936	2.2
249.18515	20.2
255.21124	2.6
257.22610	2.4
269.22549	3.0
358.57254	1.8
393.35135	6.2
403.33725	2.4
421.35031	7.9
439.35736	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	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05516	22.7
56.67207	3.8
57.07073	7.9
67.05511	41.4
69.07079	37.7
70.03767	16.1
71.04996	4.7
79.05502	18.7
81.06597	4.7
81.07062	73.7
83.04966	6.2
83.08613	9.3
91.05495	33.0
93.07045	51.9
95.04942	4.5
95.08614	100.0
97.06539	9.6
97.10142	7.8
98.21481	5.5
99.08089	10.0
105.07038	61.9
107.08595	95.6
109.06532	4.8
109.10172	57.1
111.08083	9.4
117.07013	15.1
119.08587	72.9
121.06527	5.4
121.10149	62.0
121.16382	3.8
123.08087	12.7
123.11715	24.6
125.09652	8.5
129.07019	9.9
131.08591	34.8
133.10133	59.5
135.08023	5.7
135.11697	39.5
137.13258	11.0
142.07800	8.5
143.08546	23.5
145.10112	51.6
147.11716	47.6
149.09622	8.1
149.13249	22.1
151.11137	5.6
155.08623	8.0
156.09335	4.0
157.10143	36.9
159.11694	46.6
161.09665	4.5
161.13274	32.9
163.14859	19.2
169.10170	9.1
171.11740	27.4
173.13268	35.4
175.11229	8.9
175.14810	22.2
177.12798	5.8
177.16452	7.9
179.14259	6.7
183.11737	5.7
184.16275	4.2
185.13293	32.3
187.14862	29.5
189.16385	33.6
191.14325	9.2
191.17963	32.8
197.13229	5.8
199.14832	32.9
201.16415	30.1
203.14372	24.7
203.17993	27.2
205.15913	6.5
207.17462	14.0
211.14755	6.5
213.16412	29.6
215.14374	11.4
215.18005	18.2
217.15916	17.6
217.19594	10.9
221.19089	5.0
225.16441	9.5
227.17938	11.2
229.19516	8.4
231.17465	24.7
237.16318	4.4
241.19533	6.3
253.19446	5.9
255.20950	5.5
259.20490	5.7
365.28778	4.1
403.33643	15.3
411.30975	4.7
421.34827	50.5
439.35822	99.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05507	6.8
57.07070	4.0
61.46517	1.7
67.05503	12.0
69.07075	19.7
75.60459	1.5
78.75701	1.7
79.05499	8.1
79.61430	1.6
81.07060	22.4
83.08619	5.9
85.06536	2.0
91.05488	7.9
93.07043	15.4
95.08612	24.5
95.92034	1.5
97.10155	2.1
105.07025	17.9
107.08599	26.6
109.10158	37.2
109.10739	1.5
111.11691	2.5
117.07021	1.8
119.08588	31.3
121.06507	2.6
121.10149	32.4
123.08119	2.3
123.11720	10.1
125.09640	2.1
131.08589	9.0
133.06549	2.0
133.10133	20.7
135.08075	3.8
135.11720	11.6
137.13220	4.0
139.11229	2.4
143.08562	3.5
145.10117	16.2
146.92551	1.6
147.08122	1.8
147.11699	15.7
148.68582	1.5
149.09619	4.3
149.13231	3.7
157.10202	8.3
159.11673	13.2
161.09636	4.0
161.13261	15.3
163.11320	2.0
163.14848	4.1
169.10129	4.3
171.11694	6.5
173.13284	13.8
173.55029	1.5
175.11095	2.2
175.14880	9.6
177.12758	2.8
177.16339	2.5
179.14317	2.7
183.11748	4.1
185.13264	6.3
187.11183	1.6
187.14861	9.7
189.12733	2.8
189.16429	5.5
191.14326	6.6
191.18022	3.0
193.15958	3.2
195.13789	1.7
197.13287	2.2
197.83955	1.9
199.14883	5.6
201.16440	6.7
203.14343	3.9
203.18010	3.4
205.15926	3.5
209.13309	2.5
211.14839	4.3
213.16347	3.6
215.18008	5.3
217.15910	4.3
217.19496	10.6
225.16447	2.8
227.17982	2.0
229.19804	3.0
231.17509	2.2
235.17020	3.0
237.16504	3.6
239.17871	1.9
241.19516	2.1
243.20985	2.5
251.17918	2.5
259.20773	2.3
267.21228	2.4
271.24152	2.3
273.18503	4.8
279.21152	2.4
285.22046	2.6
293.22763	2.7
296.59988	1.9
311.23669	2.2
328.23660	1.9
339.27011	1.9
403.33661	7.5
421.34650	27.9
439.35776	100.0
440.35666	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	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
53.03956	1.2
55.05506	4.0
57.07080	2.2
58.15363	1.1
61.65967	0.9
67.05510	7.9
69.03436	1.7
69.07069	7.0
69.26823	2.5
69.27237	6.7
75.70631	0.9
79.05490	6.4
79.95463	1.0
81.07062	11.0
83.08624	2.8
91.05491	7.1
93.07047	38.3
95.04978	1.2
95.08609	13.2
97.06546	0.9
98.15837	1.0
105.04552	1.5
105.07034	11.4
107.08598	14.3
108.08986	1.1
109.10162	26.1
111.08115	1.6
111.11710	1.0
112.35625	0.9
119.08593	12.8
121.10148	92.8
123.11723	6.5
131.08575	4.4
133.10127	12.2
135.08044	1.8
135.11697	6.9
143.08669	1.2
145.10168	5.3
147.11705	9.4
149.09627	100.0
149.13370	1.9
151.11197	2.4
157.10139	2.2
159.11725	6.2
161.13246	4.8
163.14839	2.8
165.12859	1.2
171.11710	1.4
173.13303	5.6
175.11232	1.1
175.14842	3.8
177.16338	1.4
179.14311	1.1
185.13292	2.5
187.11118	1.1
187.14827	4.4
189.16357	5.8
191.14296	5.7
191.17955	6.7
199.14815	3.8
201.16431	3.6
203.14317	1.1
203.17966	4.5
205.15862	1.7
207.88428	1.1
213.16412	1.3
215.14268	1.3
215.17926	1.5
217.15891	5.0
217.19460	2.1
225.16306	1.2
231.17490	2.5
235.79460	1.3
239.17926	1.2
247.20450	1.3
257.22736	4.0
273.25778	1.7
403.33743	1.1
421.34775	17.3
425.05447	1.0
439.35767	41.0
439.41812	2.1
440.35883	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	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.5
57.07077	16.4
65.03958	1.8
67.05514	21.7
69.06770	1.9
69.07070	17.4
69.41017	15.8
71.08611	6.2
78.46690	1.8
79.05504	10.5
81.07060	78.1
83.08618	13.1
85.10184	3.0
89.06049	13.0
91.05466	6.8
93.07047	15.1
95.08612	100.0
97.10152	6.6
105.07064	10.2
107.08588	17.8
109.09476	3.4
109.10167	44.9
117.07018	4.5
119.08582	14.0
121.10163	11.7
123.11713	41.3
129.06842	2.0
131.08583	8.9
133.08601	8.4
133.10139	10.9
135.11705	10.4
137.13266	63.8
143.08542	5.0
145.10118	10.8
147.11691	8.1
149.13220	5.8
151.11140	2.0
151.14824	4.1
151.34512	1.8
156.09276	2.6
157.10147	5.8
159.11678	7.1
161.13228	5.8
169.10143	2.1
171.11621	9.5
173.13333	9.4
175.14777	4.4
177.16327	2.2
177.36470	1.6
179.17944	11.4
185.13243	6.2
187.14848	9.0
189.16367	2.6
191.18001	4.7
199.14883	10.1
201.16405	9.3
203.10799	2.0
203.17943	4.4
205.19550	3.1
213.16374	11.2
215.18027	10.5
217.19482	2.0
217.56345	1.9
220.72569	1.8
227.17999	4.8
231.17426	2.2
239.14880	4.6
240.15103	3.0
241.19550	10.9
243.21089	9.3
255.21027	6.8
259.16916	6.9
269.22659	5.5
287.19977	4.6
301.21548	3.0
306.07932	1.9
393.35181	24.8
421.34583	4.3
422.35645	4.8
439.29947	3.1
439.35684	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62362	1.7
55.05521	11.2
57.07073	3.6
61.80504	1.7
64.88599	1.8
67.05514	14.7
69.07071	15.2
71.08593	2.7
71.25315	2.3
71.25634	2.3
79.05483	11.1
81.07068	23.4
83.08620	8.9
85.16212	2.1
91.05468	9.4
93.07053	26.9
95.08611	59.1
97.06538	2.6
97.10145	3.8
105.07034	29.8
107.08595	38.8
109.10168	33.6
113.47640	2.0
119.08583	47.7
121.10147	33.4
121.18433	2.1
123.11696	14.3
125.09671	2.5
130.95764	1.9
131.08597	4.4
133.08640	2.2
133.10139	38.2
135.11702	28.0
137.13239	3.5
143.08539	2.5
145.10138	6.9
147.11696	33.3
149.13255	16.4
153.09116	4.0
159.11674	7.2
161.13269	19.8
163.14842	14.4
165.12717	2.3
167.10695	3.7
171.11668	4.7
173.13243	5.7
175.14859	14.7
177.16379	9.2
185.13130	2.6
187.14830	5.1
189.16391	46.4
191.17952	67.9
199.14786	3.8
201.16400	16.5
203.17967	100.0
205.19466	16.1
207.17461	5.2
213.16406	2.2
215.17940	3.9
217.19548	13.5
221.19066	4.7
223.16783	1.9
229.19495	3.8
231.17519	3.3
231.21053	7.4
235.16905	6.0
240.15356	2.5
245.22639	3.1
247.16838	5.5
249.18555	18.2
393.35138	6.6
410.98743	2.1
421.34671	5.3
439.22156	3.7
439.36072	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05503	8.1
57.07076	4.1
59.81679	1.9
64.08581	2.2
67.05502	13.3
69.07068	12.9
69.98344	1.9
71.08611	2.0
71.51894	3.2
72.03702	2.1
76.36826	1.7
79.05497	6.0
81.07064	25.3
83.04964	2.2
83.08626	6.8
86.09705	4.7
86.49971	2.0
89.06008	4.4
91.05484	5.0
93.07058	14.4
95.08612	69.6
97.10174	3.7
104.65244	2.0
105.07036	9.5
107.08607	15.0
109.06519	3.3
109.10152	17.6
111.08083	7.1
111.11711	3.9
111.68864	1.9
119.08598	14.9
121.10160	12.9
123.08080	4.1
123.11689	5.7
125.09621	3.3
131.08627	3.5
133.08549	2.8
133.10114	9.8
135.08087	3.0
135.11725	8.0
137.09590	2.4
137.13203	4.4
145.10126	9.5
147.11691	6.6
149.09648	8.7
149.13278	7.6
157.10156	3.1
159.11714	6.0
161.09627	2.5
161.13266	2.1
173.09802	1.8
175.14815	5.8
176.26163	2.0
177.12727	2.3
177.16440	2.9
185.13295	2.4
187.11278	2.7
187.14911	4.8
189.16438	7.7
191.17981	4.8
201.16386	2.8
205.15828	2.9
207.17599	2.4
213.16486	3.4
215.14371	3.1
217.15919	2.5
225.16383	2.2
229.19464	3.0
231.17400	3.5
239.14879	7.0
287.23605	3.1
313.25363	3.1
327.26886	7.0
411.36005	2.3
421.34674	39.1
439.35733	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
55.05516	9.9
57.03443	1.2
57.07078	4.1
63.80741	0.9
65.03912	1.1
67.05508	24.5
69.03431	1.9
69.07069	14.1
71.04990	2.3
71.42644	2.0
77.80966	1.0
79.05502	12.9
81.07062	43.6
81.58808	1.0
83.08627	6.3
85.02913	1.5
85.06579	1.3
91.05488	12.4
93.07046	29.3
95.04980	2.4
95.08612	100.0
97.06519	3.1
97.10185	4.2
105.07038	23.3
107.04957	1.4
107.08605	36.9
108.43193	1.0
109.06551	2.1
109.10162	38.1
111.08096	5.5
111.11738	1.6
113.06007	1.5
117.07027	3.4
119.08584	22.9
120.29716	1.2
121.06473	1.7
121.10148	33.3
123.08088	5.0
123.11716	19.9
125.09641	4.8
131.08597	5.2
133.10127	18.1
135.11693	28.8
137.13275	11.0
139.07559	2.4
139.11201	1.5
141.09126	2.2
142.07825	1.5
143.08582	2.7
145.10118	11.3
147.08102	1.6
147.11696	22.3
149.09550	1.9
149.13271	15.7
151.11246	1.6
157.10161	4.6
159.11728	11.3
161.09641	3.4
161.13280	19.6
161.14601	1.4
163.11241	1.2
163.14842	4.9
171.11696	3.0
173.13283	11.1
175.11215	3.7
175.14873	12.4
177.16449	2.3
181.12161	1.1
185.13287	4.5
187.14835	4.3
189.12709	1.4
189.16408	11.7
191.17961	55.2
192.18312	1.3
197.13351	1.3
199.14850	3.6
201.16429	5.6
203.14438	1.3
203.17960	12.6
203.19588	1.5
205.19547	5.7
211.15076	1.1
213.16396	3.2
215.18037	3.4
217.15941	2.7
217.19545	8.1
221.15327	2.2
229.16083	1.7
229.19728	2.2
231.17416	4.4
235.16995	4.0
243.21136	3.3
247.16908	7.4
249.18510	8.8
257.22672	2.5
261.35663	1.3
285.74966	1.3
299.27325	1.8
314.11490	1.2
421.34625	5.2
439.35745	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	440.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12839	3.8
55.05503	5.6
56.05024	6.9
60.08178	8.0
68.05025	4.8
69.03400	4.9
70.06601	64.9
71.50963	5.3
72.08154	19.4
83.06114	11.4
84.04501	12.1
84.08157	42.9
85.02919	9.4
86.09717	31.5
87.10069	4.9
91.05487	12.1
95.04962	8.6
95.06087	10.3
103.05481	27.7
105.07042	9.3
107.04946	10.7
110.07178	100.0
111.06874	5.9
111.07528	33.2
112.08749	4.4
119.04915	6.8
120.08133	23.9
121.06519	5.4
123.04417	6.3
127.03241	22.2
129.10251	25.5
131.04944	70.5
133.06490	23.6
137.06001	7.2
138.06621	4.5
147.04439	7.7
161.06013	27.2
163.07558	37.7
165.09129	14.0
167.07069	46.4
169.85411	4.9
178.13429	21.6
179.13788	22.2
191.07010	10.4
193.08607	29.9
213.12335	12.5
223.15584	19.3
224.15874	30.6
251.15115	21.0
252.15379	32.7
260.06290	6.5
278.10098	4.4
337.12222	12.3
347.22794	7.1
365.23846	5.5
396.19559	54.6
412.30319	4.8
440.26343	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	440.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12839	3.8
55.05503	5.6
56.05024	6.9
60.08178	8.0
68.05025	4.8
69.03400	4.9
70.06601	64.9
71.50963	5.3
72.08154	19.4
83.06114	11.4
84.04501	12.1
84.08157	42.9
85.02919	9.4
86.09717	31.5
87.10069	4.9
91.05487	12.1
95.04962	8.6
95.06087	10.3
103.05481	27.7
105.07042	9.3
107.04946	10.7
110.07178	100.0
111.06874	5.9
111.07528	33.2
112.08749	4.4
119.04915	6.8
120.08133	23.9
121.06519	5.4
123.04417	6.3
127.03241	22.2
129.10251	25.5
131.04944	70.5
133.06490	23.6
137.06001	7.2
138.06621	4.5
147.04439	7.7
161.06013	27.2
163.07558	37.7
165.09129	14.0
167.07069	46.4
169.85411	4.9
178.13429	21.6
179.13788	22.2
191.07010	10.4
193.08607	29.9
213.12335	12.5
223.15584	19.3
224.15874	30.6
251.15115	21.0
252.15379	32.7
260.06290	6.5
278.10098	4.4
337.12222	12.3
347.22794	7.1
365.23846	5.5
396.19559	54.6
412.30319	4.8
440.26343	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	440.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
56.74464	1.2
57.03438	5.1
57.07079	19.5
57.94769	1.3
62.06092	22.7
63.58451	1.3
67.05501	3.9
69.07074	2.9
69.30673	1.6
69.31081	10.6
71.08640	11.7
73.46184	1.1
81.07054	5.7
83.08630	3.8
85.10194	7.2
89.06050	1.4
92.39650	1.2
93.07043	2.1
93.97292	1.1
95.08616	8.0
97.10172	1.9
98.98450	5.1
109.10159	3.4
123.11731	1.3
124.01592	1.2
129.09605	1.2
139.93207	1.1
140.03455	1.3
142.02704	1.8
152.10228	1.5
155.01047	6.2
168.24962	1.3
216.06406	2.7
268.26282	11.9
299.25830	100.0
300.26172	2.6
379.22482	5.4
401.96786	1.3
407.83472	1.4
422.26517	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.0
57.07082	34.9
60.48841	1.5
67.05506	4.2
69.07062	5.1
71.08285	2.8
71.08636	29.3
71.51666	2.9
73.06561	8.7
73.23495	1.6
74.22417	1.5
75.31493	1.7
76.21021	1.5
79.05502	3.5
81.07053	5.1
83.08620	4.8
84.04492	1.6
85.10189	33.0
87.04484	2.3
89.06039	100.0
91.05518	1.7
93.07042	3.6
95.08606	6.9
97.10176	2.9
99.11743	3.4
105.07014	6.0
107.08600	6.8
109.10175	3.8
117.06958	1.7
117.09177	2.2
119.08588	5.9
121.10126	4.1
130.08589	2.4
131.08620	1.9
133.08612	47.4
133.10144	3.3
135.11699	4.3
141.16393	4.8
144.08966	1.7
145.10139	3.3
147.11778	2.8
159.11716	2.0
161.13223	2.3
171.11778	2.0
177.11235	16.6
185.19046	6.4
191.18056	2.5
195.12233	2.2
199.14764	1.6
201.16371	2.2
229.21648	8.3
273.24384	3.9
283.17651	15.3
335.28165	2.1
422.35083	6.0
423.33221	16.7
440.36102	6.1
441.33820	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58706	0.9
56.96569	13.3
70.18760	4.0
84.96036	7.5
98.91964	4.7
98.97586	100.0
110.97572	44.2
112.99103	1.9
116.98629	20.0
118.16917	0.9
124.99144	5.6
126.97062	1.1
127.00721	1.8
128.98618	18.5
132.95872	1.6
134.99678	1.5
135.19168	1.0
140.98586	14.0
143.00188	13.9
144.98064	1.2
146.99666	2.9
152.98624	6.8
155.00218	1.1
158.99658	35.7
161.01207	5.9
170.99660	29.0
173.01424	1.3
174.96919	1.3
177.00732	15.1
182.99664	27.9
189.00732	17.4
194.99677	1.8
201.00714	48.8
207.01765	4.0
213.00720	2.6
219.01784	31.7
230.95889	1.7
231.01820	3.6
237.02820	10.5
243.01761	22.4
261.02826	86.3
273.02710	6.5
279.03891	40.6
291.03879	17.0
309.05133	1.8
320.99020	3.8
321.04935	34.0
333.05014	5.2
351.05988	4.3
354.17575	0.9
365.10529	2.2
367.47577	1.0
381.07196	3.3
399.08099	1.7
441.09436	11.7
441.14063	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	441.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95426	1.4
54.69349	1.4
56.80801	1.3
62.90393	1.4
63.14083	1.2
64.79256	1.2
69.03423	1.7
70.06590	3.5
70.37580	4.8
72.08116	1.6
84.08114	2.6
87.11021	1.4
117.06933	1.5
119.04965	2.2
127.03188	2.3
138.05470	2.5
147.04398	4.9
167.07021	6.3
168.07356	4.1
177.01634	1.9
192.03923	21.8
193.04643	8.5
237.44264	1.6
253.03015	1.8
257.30295	1.5
271.04086	2.6
316.01303	1.7
338.13150	1.6
355.10077	3.2
366.09369	1.7
397.11078	38.2
397.19086	7.4
441.10013	100.0
441.15454	4.9
442.10553	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	441.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.4
55.01863	2.3
55.05493	1.8
58.33162	0.5
67.05489	1.9
69.03442	2.6
69.07054	1.5
71.50918	0.9
77.03912	0.8
79.05509	3.1
81.03428	5.6
81.07063	3.1
83.04997	0.6
83.08617	0.8
85.02901	2.3
91.05482	7.7
93.07028	3.4
95.04961	2.3
95.08620	3.8
97.02886	2.3
97.10188	0.6
99.04432	0.9
100.65527	0.6
103.05468	34.9
104.05784	0.9
105.03391	2.2
105.04510	1.0
105.07043	2.7
107.04960	46.3
107.08570	3.1
109.02886	6.1
109.10154	2.6
111.04441	1.1
112.18307	0.5
115.05452	6.6
115.87285	0.6
117.07011	2.5
119.04952	2.3
119.08590	2.6
120.08858	0.6
121.02857	0.9
121.06503	2.2
121.10125	3.0
123.04433	0.6
123.11702	1.6
125.02335	2.3
125.09615	1.4
127.03915	2.5
128.06204	0.9
129.06969	0.6
131.04932	100.0
131.08548	1.4
132.05264	1.5
133.06477	2.0
133.10130	2.1
135.04427	4.6
135.11667	2.8
137.05957	1.4
141.06996	1.6
143.05063	0.6
143.08589	0.9
144.05708	3.0
145.06451	2.3
145.10165	0.9
146.38466	0.6
147.04413	5.5
147.08092	0.8
147.11679	1.7
149.06021	4.1
149.13278	1.4
151.03885	2.6
157.06396	0.8
157.10088	0.5
159.04486	0.7
159.08063	2.4
159.11720	1.6
160.05191	1.2
161.06003	3.6
161.13275	1.5
163.14818	1.2
165.05482	2.0
166.07793	1.3
169.06511	1.4
171.04375	1.7
173.06015	1.6
173.13287	1.3
175.14796	0.7
177.05472	1.0
177.12778	0.6
177.21394	0.6
181.10110	2.2
185.06041	0.8
187.07530	2.5
187.14861	1.0
189.05515	1.3
189.16431	0.7
191.08459	0.6
191.17909	1.2
194.07289	1.6
197.06024	1.2
201.16431	0.8
203.17915	0.6
209.09618	18.5
215.07036	10.4
215.09093	0.6
215.14468	0.7
215.17796	0.7
217.05058	1.0
227.17955	0.6
233.08067	1.6
235.05983	1.6
237.09172	1.2
275.09280	0.7
293.10162	1.3
331.95001	0.6
353.28543	0.5
423.14471	0.8
423.36539	1.3
441.12100	1.4
441.26517	0.7
441.37216	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
57.07074	0.7
61.02913	0.6
65.74970	0.7
67.05515	3.9
69.03416	1.4
69.07080	4.1
71.51155	0.8
79.05495	2.0
81.03427	1.1
81.07051	6.9
84.91924	0.7
85.02924	1.1
86.09677	1.7
87.00859	1.1
91.05478	2.5
93.07056	4.1
95.04958	2.2
95.08607	9.3
97.02895	0.8
97.06551	1.9
99.04451	1.1
104.02187	0.7
105.07032	3.4
107.08589	8.8
109.02856	0.7
109.06513	2.6
109.10156	6.1
111.08098	1.2
117.07041	1.4
119.08563	3.8
121.06495	1.3
121.10155	4.6
123.11707	2.7
125.09679	1.5
127.42558	0.7
131.08588	1.6
133.10161	3.4
135.11678	4.9
137.05954	0.8
137.13248	1.3
143.08580	1.6
143.43304	0.9
145.10130	2.1
147.11656	3.9
149.13251	1.4
157.10141	1.5
159.11774	2.2
161.09700	1.3
161.13332	2.1
163.14835	1.5
173.13292	2.6
175.14841	2.9
182.69205	0.7
185.13165	0.9
187.14871	1.7
189.16396	2.8
191.17950	4.3
193.15840	1.2
201.16438	1.2
203.05463	1.0
203.17958	1.0
207.17424	1.0
217.15936	0.8
217.19550	1.4
217.91743	0.8
227.05296	1.3
243.04822	3.4
245.06369	3.3
257.22479	0.8
277.18124	1.0
287.03735	16.7
287.06631	1.3
289.05273	10.7
297.25681	1.7
315.26859	0.9
327.30453	1.6
331.66815	0.7
337.28937	1.0
355.17343	4.6
397.18347	31.1
423.36441	1.1
441.17346	100.0
441.37439	3.0
442.17526	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Lys-Trp-OH
Peak:m/z	Relative Intensity
58.05350	0.7
58.30611	0.7
58.38395	0.7
69.03450	0.8
70.06585	0.9
71.50771	0.8
71.51158	0.7
81.07043	1.2
86.09718	1.2
88.18849	0.6
91.05476	1.4
93.07066	1.5
95.08610	1.4
97.06456	0.7
103.56435	0.8
105.07028	1.0
107.08607	0.7
109.10134	1.0
119.08595	1.1
133.10135	0.9
160.73271	0.7
184.13358	1.0
245.06273	1.4
289.05298	6.6
355.17358	4.2
357.45248	0.8
379.16983	0.9
382.88788	0.8
397.18338	23.5
441.17358	100.0
442.17703	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	441.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
55.01854	0.6
55.05502	1.5
57.03434	0.6
64.88111	0.6
67.05507	4.0
69.03418	1.8
69.07088	3.0
70.06574	1.1
70.99635	1.5
71.04984	1.0
71.08620	0.6
79.05485	3.1
81.03410	1.9
81.07054	6.5
83.08606	0.9
85.02907	1.8
85.06538	0.7
85.52966	0.7
86.09728	0.9
87.00845	0.9
91.05484	2.4
93.07051	5.6
94.18908	0.6
95.04968	1.7
95.08607	7.9
97.02897	1.1
97.06526	0.9
99.04458	1.1
99.08090	0.9
100.07678	0.8
100.11241	0.8
104.10717	0.8
105.07050	5.6
107.08595	6.3
109.02875	0.9
109.06510	1.1
109.10158	6.5
111.08056	0.9
117.07007	0.7
119.08571	5.8
121.06503	0.7
121.10139	5.4
123.08092	0.7
123.11690	2.0
125.09583	1.3
125.64985	0.7
127.03940	0.8
127.11217	0.8
131.08574	1.2
133.10144	5.2
135.08086	0.9
135.11702	4.4
137.05971	1.4
137.09598	1.2
137.13254	1.2
143.08582	1.1
145.10138	3.2
147.11740	3.1
149.09660	0.8
149.13268	1.9
157.10155	1.8
159.11705	2.3
161.13272	2.9
163.14856	1.0
170.15443	1.6
171.11670	1.2
173.13297	2.4
175.14804	3.2
177.12959	0.7
177.16382	1.6
179.14349	0.9
182.15483	0.8
185.13344	0.9
187.14890	2.2
189.16435	1.9
191.14439	0.8
191.17969	3.4
193.15918	1.0
197.13243	0.7
198.14940	1.1
201.16383	1.2
203.05258	5.2
203.17981	0.9
210.14938	1.0
217.15834	1.2
217.19604	1.0
229.19623	0.8
235.16968	1.1
255.20956	0.6
261.18350	2.7
297.25726	1.3
345.39972	0.7
364.89691	0.7
423.36218	1.9
424.31635	0.7
441.24655	100.0
441.37576	4.2
442.25006	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	441.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
55.01864	2.3
55.05507	15.6
57.03436	1.9
57.07058	4.5
57.94152	1.7
58.11526	1.9
59.04993	3.0
65.03927	3.7
67.05508	22.4
69.03455	4.0
69.07073	23.3
70.06582	5.0
71.04985	3.1
79.05496	17.2
79.41122	2.1
81.03416	2.7
81.06595	4.4
81.07062	74.7
83.04974	2.0
83.08637	10.0
84.08139	4.3
85.06516	2.7
86.09688	5.0
91.05494	14.7
93.07054	38.2
95.04952	4.5
95.08614	100.0
95.51905	1.9
97.06538	9.5
97.10173	7.4
98.52532	2.2
99.04461	2.1
100.11229	3.0
102.20907	1.8
102.30077	2.2
105.07030	32.7
107.07880	3.9
107.08600	76.4
109.06541	2.4
109.10161	56.0
111.08076	6.5
111.11700	2.8
113.09658	2.2
115.88054	2.0
117.07014	4.1
117.29387	2.0
119.05022	2.7
119.07803	3.6
119.08592	45.8
121.09328	3.5
121.10145	45.7
123.08056	3.2
123.10872	1.8
123.11710	31.8
125.09614	8.1
129.06897	2.6
129.10249	2.7
131.08591	13.0
133.10141	34.0
134.59457	1.8
135.11703	41.7
137.05946	2.3
137.09676	2.1
137.13254	20.5
143.08505	2.9
145.10162	19.1
147.08054	2.5
147.11700	31.2
149.13264	20.7
151.11150	7.0
157.10071	2.6
159.11728	23.7
161.13261	24.6
163.11214	2.6
163.14827	20.5
165.12729	3.8
171.11685	3.7
173.13293	11.6
175.11250	2.0
175.14868	17.3
177.16383	9.1
179.14308	7.8
182.15378	2.7
185.13150	3.9
187.14801	10.9
189.16405	23.2
191.17967	60.0
195.48210	1.9
199.14798	3.5
201.16394	12.4
203.17972	20.0
205.15865	3.8
205.19528	3.6
207.17493	10.3
213.16423	3.8
215.17892	7.3
217.15854	2.1
217.19550	10.7
219.17464	4.3
227.17969	3.0
229.19447	3.3
231.21056	4.6
233.18950	5.2
255.20969	2.0
257.22754	2.2
276.08295	2.1
297.25739	19.8
299.27258	2.0
307.61829	2.0
315.26764	12.6
327.30435	23.8
345.31546	10.5
355.30197	11.3
383.33249	2.9
423.36493	17.1
441.17004	4.7
441.24063	12.7
441.37482	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01878	2.3
55.05516	10.3
57.07069	5.4
59.04994	10.4
63.38034	1.5
65.03947	3.6
67.05509	21.7
69.03425	5.0
69.07068	25.7
69.42557	11.7
71.04988	4.9
71.08636	1.7
79.05495	16.6
81.03432	9.3
81.07063	49.3
83.04961	2.1
83.08615	12.3
85.06538	3.9
91.05488	18.8
93.06480	3.2
93.07048	47.2
95.04963	4.0
95.08613	82.5
96.08986	1.9
97.02905	5.8
97.06534	16.1
97.10175	8.1
98.21487	2.0
99.08095	2.8
105.06321	1.8
105.07030	32.4
107.04958	3.4
107.08602	68.9
109.02879	14.5
109.06534	3.0
109.10162	50.8
111.04406	2.0
111.08145	3.7
111.11668	1.8
115.05436	3.6
115.07567	6.0
117.07036	4.6
118.78670	1.5
119.08590	37.7
120.05833	1.2
121.10153	52.1
122.10497	1.4
123.08069	4.8
123.10817	2.1
123.11691	18.2
125.02378	4.7
125.09621	10.5
127.03970	3.1
127.11229	6.7
129.06982	2.1
131.08571	8.6
133.06548	2.0
133.10143	31.6
135.11693	43.2
137.05981	3.6
137.13260	11.3
141.09109	2.7
143.04915	2.7
143.08545	3.3
143.10687	11.7
144.09363	3.5
145.10138	16.0
147.11694	27.9
147.12796	2.4
149.13268	38.8
151.14827	1.7
157.10107	3.9
159.11693	24.0
161.06007	5.7
161.13254	22.6
163.11203	1.7
163.14833	10.9
171.04419	2.8
171.11639	3.3
173.13307	14.5
175.14830	23.8
177.12767	2.4
177.16428	4.7
185.13280	2.7
187.14868	7.5
189.05489	2.2
189.16397	17.5
191.17958	100.0
192.18297	1.7
193.15918	1.9
199.14812	3.0
201.16371	11.0
203.17935	13.5
205.15971	2.4
205.19559	6.2
213.16440	3.7
215.17950	13.2
217.05054	2.4
217.19482	12.9
219.17586	3.3
229.19495	3.1
231.17505	2.0
231.21011	3.1
233.19022	9.2
235.05728	1.8
243.21078	3.9
249.18486	3.1
257.22711	5.9
401.45535	1.8
423.36368	9.0
441.11914	3.0
441.37433	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01851	3.7
55.05518	25.8
57.03442	3.2
57.07061	13.0
58.13025	3.0
59.04993	5.7
65.03938	5.6
67.05508	37.3
69.03413	11.5
69.07069	38.3
70.66763	6.6
71.05006	20.3
71.08634	5.8
79.05502	30.0
81.07063	75.3
83.04963	7.6
83.08633	26.4
84.08181	3.2
85.06541	11.5
91.05488	26.7
93.07054	56.3
95.04983	7.8
95.08608	84.3
97.06524	13.4
97.10192	10.2
99.08107	30.1
103.05457	3.6
105.07040	43.3
107.08598	84.0
109.06532	19.0
109.10171	49.3
111.08085	8.6
113.09630	3.5
117.07034	8.0
119.08597	51.8
121.06502	3.7
121.10152	51.2
123.08102	33.8
123.11709	24.8
125.09647	32.5
127.07538	9.0
127.11197	5.5
129.06969	3.1
129.09093	14.9
131.08569	17.1
131.53149	3.6
133.10141	72.8
134.10413	4.3
135.08070	9.8
135.11713	38.5
135.82458	2.9
137.09583	6.7
137.13266	16.6
143.08565	9.2
143.10661	46.2
145.10112	29.2
147.11702	93.2
149.09599	8.1
149.13269	25.0
151.07458	5.4
151.11180	6.1
153.12801	4.9
155.08586	3.7
157.10109	12.7
159.11719	26.5
161.09608	4.6
161.13275	27.7
163.11133	5.4
163.14822	8.6
165.12782	4.5
169.12250	11.0
171.11693	11.8
173.13232	14.0
175.14825	22.5
177.12778	3.8
177.16368	6.7
179.14325	48.0
185.13252	10.0
187.14793	15.0
189.16406	39.7
191.14346	5.1
191.17966	33.5
193.15829	7.7
197.13362	3.7
199.14836	5.4
201.16388	19.7
203.17998	10.6
205.15955	8.4
213.16377	8.3
215.17949	26.0
217.15865	11.5
217.19589	8.9
219.17499	5.2
227.17992	5.2
229.19553	7.4
233.18988	20.0
243.17433	6.3
247.20505	4.8
248.88206	3.4
251.20065	7.5
255.20961	5.2
269.22498	3.6
283.74142	3.7
293.21069	9.5
303.26846	17.1
313.25375	4.9
331.26285	41.0
337.28876	4.7
349.27417	55.3
405.34955	3.6
423.30957	100.0
423.36292	24.6
441.37958	44.4
441.46237	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	441.373
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
50.18082	2.8
55.05514	17.0
57.07075	6.4
63.04904	2.6
67.05508	24.3
69.07064	19.8
71.35896	4.6
72.78025	3.2
79.05492	18.7
81.07060	51.9
81.80235	2.4
82.07358	2.9
83.08614	12.7
83.58797	2.7
91.05489	24.3
93.07056	45.0
95.08612	100.0
97.06487	5.4
97.10172	7.5
105.07032	48.0
107.08595	76.7
109.06535	5.5
109.10158	58.5
111.08099	5.6
117.06996	4.3
119.08585	74.7
121.10145	51.6
123.08108	9.5
123.11703	19.0
125.09688	6.4
129.07042	5.1
131.08560	19.0
133.10133	45.2
135.11693	33.8
136.76054	3.3
137.09596	6.7
137.13275	7.1
137.63338	3.0
143.08527	4.9
144.09479	2.7
145.10127	38.4
147.11700	30.1
149.09645	3.2
149.13268	24.3
151.11162	5.9
153.12714	3.0
157.10152	8.0
159.11684	37.3
161.13266	28.0
163.14839	18.9
171.11717	8.7
173.13269	21.4
175.14821	20.0
177.12747	4.8
177.16391	10.8
179.14323	13.1
185.13307	4.0
187.14810	19.8
189.16380	36.3
191.14281	3.9
191.17944	30.9
193.15974	3.5
199.14861	4.4
201.16405	20.7
203.17978	26.2
205.15872	7.5
205.19511	4.1
207.17451	24.1
213.16397	8.1
215.17972	29.9
217.19513	12.1
219.17505	10.5
227.18019	5.9
229.19496	10.5
233.19049	24.9
243.21016	5.8
247.20490	4.1
255.21155	4.0
257.22653	6.3
261.19275	3.7
261.22025	5.5
269.22873	4.9
283.24243	3.4
297.25641	3.4
405.35095	11.0
411.36423	4.8
423.36328	43.1
434.92224	3.0
441.32339	3.8
441.37405	53.2
442.37683	3.4
448.32309	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	441.373
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
55.05510	1.3
57.07066	1.8
67.05499	3.8
69.07079	3.4
70.96185	1.0
70.96540	0.6
71.84057	0.5
79.05487	2.4
81.07057	6.7
83.08627	1.2
85.06554	0.7
91.05479	2.7
93.07050	5.9
95.08613	11.1
97.10193	1.3
105.07032	5.0
107.08602	10.2
108.08926	0.5
109.06522	1.3
109.10151	8.9
111.08039	0.8
113.09673	0.4
119.08589	6.6
121.10146	9.7
123.08120	0.6
123.11723	9.4
125.09663	0.6
131.08556	1.9
133.10138	6.9
135.11691	7.9
137.09647	1.5
137.13255	1.5
143.08582	0.6
145.10135	3.6
147.11707	4.9
149.13260	4.5
151.11194	5.4
157.10193	0.6
159.11690	4.3
161.13242	3.7
163.14854	2.5
165.12817	0.6
171.11694	0.7
173.13271	2.6
175.14870	3.7
177.16406	1.5
179.14426	0.6
185.13287	0.8
187.14890	2.3
189.16428	2.4
191.17969	4.0
199.14919	1.1
201.16412	4.8
203.17970	2.9
205.19525	0.5
207.17386	0.6
213.16367	1.0
215.17953	3.4
217.19456	0.9
219.09520	0.4
219.17509	1.1
227.18021	0.6
228.90930	0.5
229.19518	1.3
233.18988	0.6
243.21066	0.8
257.22754	0.6
269.22852	0.7
396.62662	0.5
423.36237	3.7
441.37292	100.0
442.37442	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	441.3731
Annotation	Duryne
Peak:m/z	Relative Intensity
53.03941	0.9
53.33583	0.5
55.05503	4.1
57.07071	1.8
59.05003	0.9
60.90819	0.4
67.05505	6.1
69.03421	1.4
69.07078	6.1
69.44859	2.6
69.45267	1.2
70.11053	0.7
71.04995	1.0
71.08612	0.8
79.05502	4.5
81.07062	15.6
82.67711	0.5
83.04973	1.3
83.08619	3.3
85.06555	0.6
85.10226	0.5
90.66548	0.6
90.67125	0.5
91.05476	4.5
93.07043	10.9
95.04980	1.1
95.08614	18.9
97.06525	1.4
97.10156	1.4
100.01945	0.5
105.07033	8.8
107.04993	0.6
107.08603	15.8
109.06499	4.9
109.10162	14.4
111.08083	1.0
111.11786	0.6
117.07049	1.3
119.08580	8.0
121.06516	0.8
121.10149	13.7
122.27546	0.5
123.08072	5.8
123.11703	9.0
125.09650	1.8
131.08530	2.5
132.81641	0.5
133.10143	6.5
135.08069	1.6
135.11707	13.6
137.09624	1.9
137.13281	3.2
139.11188	1.4
143.08562	0.9
145.10143	3.4
147.11708	5.8
149.09624	1.9
149.13240	7.0
151.11188	15.5
151.14760	0.8
153.12816	1.0
157.10126	1.1
159.11711	4.5
161.13293	4.4
163.11232	1.8
163.14783	3.6
165.09073	1.0
165.12767	8.3
169.10208	0.7
171.11685	1.0
173.13293	2.1
175.11327	0.5
175.14845	4.8
177.12766	2.2
177.16447	1.9
185.13164	0.7
187.14847	2.1
189.16469	2.4
189.94170	0.5
191.14331	1.6
191.17957	7.9
193.15849	2.9
199.14833	1.0
199.28397	0.5
201.16351	2.6
203.14326	0.8
203.17914	3.2
205.15904	1.0
205.19690	0.6
213.16385	0.8
215.17990	1.7
217.16022	0.8
217.19574	1.9
219.17439	2.9
227.17926	0.5
229.19662	0.8
231.21085	1.7
233.18991	1.2
245.19066	1.0
255.21173	0.7
257.22723	0.7
259.24463	0.6
271.24310	1.2
275.23688	0.5
281.22696	0.6
289.25085	0.8
327.27103	0.7
423.31567	0.7
423.36340	6.6
441.37341	100.0
442.37637	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	441.3731
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05524	25.1
57.07062	13.2
58.40344	4.0
67.05518	25.8
68.91688	3.9
69.07079	37.1
69.95699	17.8
76.46902	3.4
79.05508	22.6
81.07069	68.5
83.04984	7.3
83.08625	18.6
88.64500	3.4
91.05467	24.3
93.07063	50.2
95.08067	6.7
95.08619	96.9
97.10158	11.7
99.08102	5.9
105.07035	60.6
107.07880	5.4
107.08607	89.7
109.10167	81.2
111.08056	10.4
117.07026	6.9
119.08598	100.0
121.09336	5.3
121.10162	76.0
123.08060	10.8
123.11728	38.1
131.08586	36.5
133.09129	4.6
133.10138	75.0
135.11708	76.6
137.13240	10.6
139.11211	4.0
143.08577	4.3
144.09335	6.8
145.10150	51.1
147.11697	60.0
149.13266	25.5
151.11163	22.0
157.10158	8.2
158.11000	5.3
159.11707	49.6
161.13261	52.9
163.14833	36.8
169.10045	5.0
171.11670	11.1
173.13295	37.8
175.14874	48.7
177.16406	35.7
179.14342	13.9
185.13217	11.9
187.14835	41.4
189.16379	39.9
191.17969	26.4
199.14871	12.5
201.16403	74.5
203.18013	46.1
205.12320	4.8
205.15891	9.6
205.19629	3.8
207.17488	21.5
213.16425	8.0
215.17964	94.1
217.15834	7.3
217.19498	13.8
219.17445	12.8
221.19052	7.3
227.17950	8.5
229.19557	20.5
233.19026	10.7
241.19545	5.3
243.21086	16.6
255.20894	9.0
257.22461	4.5
261.22064	4.8
269.22873	4.5
283.24210	6.2
287.23706	5.0
331.26132	10.4
349.27402	5.9
365.32172	5.8
371.77008	3.9
405.35220	14.5
423.30997	16.1
423.36243	91.3
441.37463	40.9
455.20828	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	441.3731
Annotation	Duryne
Peak:m/z	Relative Intensity
55.05508	2.4
55.61983	0.6
57.07070	0.8
59.04990	1.4
59.44777	0.6
67.05502	1.7
69.07081	3.0
69.64055	3.2
79.05502	2.1
81.07069	7.1
83.08628	0.9
91.05486	2.5
93.07044	5.6
95.04966	1.3
95.08629	7.5
98.21522	0.8
103.05495	0.6
105.07046	8.5
107.08603	9.5
109.06528	2.6
109.10140	3.9
117.98569	0.7
119.08605	7.8
120.57813	0.6
121.10152	10.7
121.11013	0.4
123.08081	6.1
123.11722	19.3
129.31337	0.5
133.10139	3.4
135.11687	4.2
137.09634	1.9
137.13312	0.8
139.80170	0.6
145.10139	2.0
147.11711	14.5
149.13260	2.1
151.11179	1.5
159.11729	2.5
161.13295	1.6
163.11150	0.7
163.14857	1.6
165.12767	57.1
166.13120	0.9
171.11707	0.6
173.13316	1.8
175.14873	2.3
187.14842	1.1
189.16412	0.9
193.15898	0.7
201.16458	1.5
215.17976	0.9
223.13690	0.7
318.00497	0.7
395.33328	0.7
423.36157	1.8
430.36621	0.7
431.29550	0.7
441.37320	100.0
442.37747	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	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03920	0.4
55.05508	2.7
57.07073	1.4
58.78740	0.3
59.04995	0.5
60.59620	0.3
62.69918	0.3
67.05505	3.8
69.03440	1.7
69.07071	6.1
71.52184	0.5
75.38055	0.3
79.05510	2.5
81.06586	0.6
81.07056	9.9
81.72640	0.4
83.04981	3.4
83.08614	1.8
85.06548	0.5
91.05477	2.5
93.07050	6.7
95.04987	1.8
95.08611	17.1
97.06530	1.4
97.10164	1.3
100.28272	0.3
105.07040	4.9
107.08600	11.3
109.06522	1.6
109.10155	9.2
111.08092	1.3
111.11733	1.9
117.07039	0.6
119.08587	6.4
121.06517	1.5
121.10149	9.1
123.08064	2.3
123.11720	5.4
125.09642	0.7
127.36604	0.4
131.08589	1.8
133.10135	4.8
135.08064	3.0
135.11702	9.4
137.09628	1.3
137.13268	3.8
139.11192	0.6
143.08607	0.7
145.10091	2.4
147.08105	0.3
147.11710	3.2
149.09627	13.5
149.13252	3.7
151.11221	0.6
151.14888	0.5
153.12778	0.5
157.10114	0.7
159.11696	2.8
161.09612	0.9
161.13286	2.4
163.11159	1.6
163.14859	1.6
165.12758	0.9
171.11703	1.0
173.13277	2.1
175.11185	0.8
175.14815	2.8
177.12766	1.1
177.16394	2.8
179.14371	0.8
185.13245	0.6
187.14861	1.3
189.16374	3.9
191.14363	0.5
191.17967	4.5
199.14932	0.9
201.16402	0.6
203.17986	0.9
205.15929	0.8
205.19579	1.7
207.17410	0.5
213.16409	1.2
215.18002	3.0
217.16028	0.6
219.17488	0.6
227.17953	0.3
229.19537	0.7
231.17479	1.0
231.20929	0.5
233.19014	5.2
235.16942	1.5
243.21117	0.6
245.19040	0.7
246.61841	0.3
247.20567	1.0
261.22330	0.6
269.22772	0.8
283.24283	0.4
285.22305	0.5
287.23685	7.9
301.25134	0.4
312.58307	0.4
423.36209	2.8
441.37296	100.0
442.37579	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03948	2.6
55.05519	9.5
57.07074	3.8
57.45526	1.1
67.05507	16.5
69.03432	2.0
69.07075	13.6
71.08630	2.1
71.29930	2.1
79.05499	8.5
79.21700	1.6
81.07060	27.6
83.08619	6.0
83.54662	1.7
91.05468	6.7
91.80658	1.1
93.07047	19.7
95.04954	1.3
95.08613	62.4
97.06511	2.3
97.10157	5.2
105.07050	11.2
107.07887	1.9
107.08600	28.5
109.06519	1.7
109.10167	48.8
111.08118	9.2
111.11737	4.0
117.07043	1.5
119.08587	15.1
121.10154	26.5
123.08073	4.9
123.11710	22.5
125.09666	2.5
127.11132	1.8
131.08571	4.8
133.10109	8.5
135.08070	8.9
135.11702	17.4
137.09636	5.4
137.13251	3.9
145.10167	6.7
147.11700	8.3
149.09605	15.4
149.13287	14.4
151.11250	2.9
156.96220	1.3
157.10172	1.9
159.11684	7.9
161.13268	5.0
163.11215	1.9
163.14806	10.7
173.13326	4.4
175.11250	2.0
175.14847	4.4
177.12807	3.0
177.16458	3.2
185.13370	1.9
187.14851	4.8
189.16380	8.4
191.17972	2.5
199.14885	2.8
201.16441	4.6
203.14232	1.9
203.17981	2.6
205.15930	9.7
205.17853	2.0
205.19522	15.9
207.17461	4.6
213.16299	1.7
215.17931	6.5
217.15933	4.5
217.19524	3.9
219.17525	8.0
219.21095	8.1
227.17778	1.6
229.19644	1.3
231.17424	1.4
235.16986	2.4
250.99501	1.3
269.22687	1.5
308.78363	1.2
331.26459	4.8
345.27924	11.5
405.35233	3.1
423.36218	19.3
424.36755	1.5
441.37338	100.0
442.37775	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	441.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01862	3.6
55.05514	17.3
57.03456	2.2
57.07075	4.1
59.04994	8.7
63.36483	2.3
64.58778	2.4
67.05508	29.7
69.03426	3.5
69.07072	27.2
70.15557	8.9
71.04979	3.7
79.05493	17.7
81.03442	4.1
81.07057	62.2
83.08618	10.6
85.06564	6.3
91.05489	16.7
93.07045	38.0
95.08615	100.0
97.06544	8.2
97.10175	7.6
102.99963	2.2
105.07028	33.6
107.04976	4.0
107.08601	61.9
109.02892	4.0
109.10163	57.6
111.08097	7.5
115.07612	4.9
117.07044	3.8
119.08588	42.4
121.06550	2.4
121.09324	4.4
121.10152	52.3
123.11713	29.4
125.09651	7.2
127.11062	3.6
130.27303	2.3
131.08571	10.9
131.53630	2.3
133.10138	30.7
135.11696	39.7
137.09656	3.9
137.13274	11.9
139.11118	3.0
141.09119	3.2
143.08553	4.5
143.10710	5.9
145.10135	20.5
147.11717	31.1
149.13266	27.1
151.11208	4.2
151.14864	2.4
157.10184	5.4
159.11707	22.5
161.13243	20.9
163.11179	3.7
163.14844	13.0
167.07057	11.2
171.11725	6.2
173.13300	12.4
175.14871	17.5
177.16418	6.3
185.13400	3.0
185.75746	2.1
187.14841	10.7
189.16428	18.2
191.17960	73.7
193.15933	2.7
199.14868	3.8
201.16400	9.0
203.18005	19.1
207.06471	3.8
207.17534	7.3
213.16342	5.2
215.17979	10.5
217.19463	13.5
219.17494	7.6
219.21239	2.2
227.18024	3.5
229.19624	3.0
231.17491	3.0
231.21083	3.2
233.19125	6.2
257.22672	5.5
269.22656	3.0
280.67178	2.3
297.25879	8.7
299.27377	3.2
315.27020	6.6
327.30432	13.9
345.31689	2.8
355.29977	5.0
423.36539	12.5
441.15726	6.1
441.32343	2.8
441.37436	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Mollugogenol B
Peak:m/z	Relative Intensity
50.79483	2.5
53.03940	2.8
55.05510	16.2
57.07076	6.1
65.03930	4.1
67.05500	28.6
69.03428	4.4
69.07072	25.5
69.56933	16.8
71.05022	2.6
79.05507	20.8
81.03403	3.3
81.07059	59.2
83.04968	5.3
83.08641	15.4
85.06548	4.4
85.41661	2.4
91.05480	24.7
93.07050	50.1
95.04984	6.4
95.08614	100.0
97.06546	5.2
97.10146	6.9
105.07032	53.5
107.04962	3.5
107.08601	87.5
109.02924	3.1
109.06495	5.2
109.09465	5.2
109.10162	58.1
111.08070	5.1
111.34605	2.4
117.07022	8.6
119.08588	77.4
121.06470	3.4
121.10153	63.8
123.08060	7.6
123.11726	24.6
125.09637	8.3
127.03918	3.2
129.06975	5.3
131.08578	20.7
133.10133	48.1
135.08078	3.6
135.11694	43.2
137.06001	6.0
137.09628	4.9
137.13261	11.7
143.08549	7.1
144.09225	3.7
145.10120	37.9
147.11697	41.1
149.13252	28.5
151.11145	5.1
155.08574	4.5
157.10135	10.2
159.11697	44.2
161.13269	34.5
163.11179	6.3
163.14827	19.7
171.11739	6.0
173.13289	24.4
175.14833	20.9
177.12756	3.0
177.16382	10.3
179.14328	11.5
185.13243	6.4
187.14796	22.6
189.16422	34.7
191.14249	3.4
191.17961	64.8
193.15865	4.9
199.14842	3.3
201.16388	25.4
203.17958	31.8
205.15912	7.8
205.19579	6.1
207.17468	16.9
213.16394	7.3
215.17953	37.9
216.83965	2.9
217.19437	17.4
219.17426	12.5
221.18951	2.7
227.18121	3.7
229.19531	8.7
231.08081	2.9
231.17480	5.9
231.21069	3.5
233.18985	21.7
241.19478	3.1
243.21065	6.3
247.20605	2.7
249.77371	2.5
257.22742	4.1
269.22729	2.5
273.22018	3.2
275.23877	3.0
317.84122	3.1
388.68567	2.7
393.35434	3.4
400.54089	2.6
401.81500	3.2
405.35175	11.5
411.36340	6.0
423.36310	35.2
441.16827	3.4
441.37271	57.1
467.48499	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	441.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88076	1.4
53.03941	1.8
55.01869	1.8
55.05510	24.2
57.07078	7.6
67.05510	11.3
69.07073	18.9
69.77027	1.4
70.06566	6.1
70.63863	5.3
71.08300	1.8
71.08639	23.9
79.05471	6.2
81.07057	20.3
82.06580	9.8
83.04984	8.1
83.08617	13.7
84.08118	3.3
85.06542	8.4
86.09689	1.6
88.11277	23.2
91.05457	5.5
93.07050	7.5
95.08065	2.0
95.08606	21.8
97.06548	12.8
97.10142	2.2
98.09667	2.0
100.06981	2.0
100.07616	23.7
100.11259	68.8
105.07056	10.5
107.08598	19.2
109.10165	14.4
109.17022	1.4
110.06030	7.3
111.04437	23.8
112.07583	4.8
119.08562	10.4
121.10123	11.7
123.11691	6.4
125.09608	2.6
126.09156	4.8
127.03920	2.1
128.06195	2.6
128.07083	21.0
131.08571	2.3
133.10124	6.3
135.11661	12.2
137.09503	2.2
137.13240	3.7
139.08600	2.9
140.07042	7.0
145.10089	4.9
147.11688	8.0
149.13206	4.6
151.11217	2.0
152.14340	4.3
156.13831	3.2
159.11682	5.8
161.13245	7.3
163.14742	4.0
164.52437	1.6
164.65625	1.6
166.16066	1.8
170.15408	100.0
171.15730	2.8
173.13203	3.2
175.14801	4.2
177.16330	2.3
180.13837	2.6
182.15410	56.7
187.14796	3.1
189.16444	7.2
191.17923	14.0
192.13924	2.7
193.15990	1.8
197.16470	6.4
198.14899	71.4
199.14963	2.3
201.16376	3.2
203.17976	3.7
207.17450	2.6
209.16534	17.3
210.14911	67.3
211.15271	1.7
213.16396	1.5
215.17827	1.8
217.19498	3.8
219.17336	2.3
226.19176	3.2
227.17584	13.1
228.15959	8.5
233.18947	1.6
244.20262	27.1
297.25424	25.3
314.28082	16.1
315.26840	4.9
327.30365	6.5
336.22751	6.6
337.21170	25.4
338.21060	2.3
345.31601	3.2
354.23932	16.0
355.29886	2.6
367.11609	1.5
399.27542	1.4
406.30283	1.7
423.32919	12.8
424.26102	2.6
424.31735	52.7
425.31931	2.1
441.17044	4.4
441.23846	7.2
441.34229	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3731
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03932	3.2
55.05510	14.8
57.07049	5.1
67.05511	38.7
69.07077	21.7
79.05508	26.8
81.07063	72.9
83.08618	11.5
83.52192	2.6
84.18307	2.5
85.06536	5.9
91.05482	21.7
93.07054	61.2
95.08614	100.0
97.10171	7.1
99.08073	3.2
105.07035	47.0
107.08600	81.4
109.06543	4.5
109.10165	53.9
111.08119	6.6
113.09629	4.1
117.07033	10.3
119.08591	61.2
121.10149	70.4
123.08059	3.7
123.11712	24.5
131.08548	18.1
133.10135	36.8
135.11710	55.7
137.09598	3.3
137.13284	6.2
143.08562	3.8
145.10147	38.0
147.11708	27.8
149.13266	25.3
151.11134	4.1
151.14810	3.7
157.10194	6.5
159.11708	32.9
161.13243	34.0
163.11192	3.1
163.14853	24.9
165.12810	5.4
171.11694	4.9
173.13277	20.7
175.14848	26.4
177.16396	14.0
179.14313	9.3
185.13286	6.5
187.14870	16.8
189.16380	30.9
189.92004	3.0
191.17944	57.0
193.15897	4.7
199.14850	8.1
201.16409	22.7
203.17935	29.4
205.15936	3.5
205.19530	5.2
207.17442	12.6
207.65152	3.1
213.16302	4.8
215.17955	36.7
217.19556	11.4
219.17404	17.3
219.21056	3.3
227.18051	4.7
229.19597	8.5
231.17529	4.7
231.21069	3.3
233.19016	17.3
241.19296	3.7
243.21129	7.8
261.22183	5.8
269.22775	3.2
309.25607	3.8
327.26736	4.1
405.35172	11.5
411.36136	6.3
423.30829	6.4
423.36221	71.6
424.36673	4.0
441.37350	74.4
442.37936	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	441.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
55.01858	2.3
55.05513	50.1
56.75359	1.6
57.03440	18.5
57.07081	48.4
67.05496	23.1
69.07072	61.3
69.24207	17.9
70.42993	1.8
70.57867	1.6
71.05006	3.1
71.08633	28.8
71.09007	2.2
71.36260	1.7
72.47231	1.6
74.89949	1.5
79.05501	11.2
81.07063	46.4
83.05009	4.9
83.08622	46.6
84.42906	2.0
85.06539	7.1
85.10187	19.8
87.04489	3.4
91.05499	6.9
93.07052	20.9
95.08617	42.6
95.09070	1.7
97.06541	8.3
97.10175	28.7
99.08121	3.4
99.11771	2.5
101.06013	2.9
105.07069	7.8
107.08595	23.1
109.10169	24.2
109.29784	1.7
111.04457	1.7
111.08105	12.5
111.11713	10.6
115.07610	1.9
119.08614	10.4
121.06556	2.0
121.10153	20.3
123.11717	11.4
125.09662	7.3
125.13317	3.4
127.11254	2.1
127.12193	1.7
129.09167	2.2
131.08591	3.1
133.10153	6.9
135.11678	19.5
137.13277	4.7
139.11237	7.6
143.08586	1.8
145.10173	3.9
147.11719	7.2
149.13252	12.3
151.14876	2.3
153.12799	5.5
157.10168	2.3
159.11754	6.2
161.13344	5.2
163.14790	8.5
165.09116	1.9
167.14369	4.5
171.11719	2.4
173.13322	2.3
175.14861	3.9
177.16454	4.6
181.15894	4.0
185.15497	2.2
187.14978	2.8
189.16461	2.0
191.17998	8.0
195.17459	2.3
201.16397	3.6
203.18002	2.8
205.19696	3.6
215.18089	2.4
217.19604	3.6
223.20699	2.1
233.18987	1.9
241.19693	2.1
242.46225	1.9
271.24365	2.4
331.33661	7.4
349.34674	14.6
423.38333	13.4
441.39462	100.0
442.39490	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	441.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88243	2.2
55.05242	2.4
55.05513	53.1
57.03447	17.9
57.07078	55.6
59.04996	2.4
59.91345	2.4
67.05505	27.1
69.03445	2.4
69.07069	72.9
69.45730	16.6
71.08635	33.8
79.05502	12.7
81.07059	54.8
83.04969	3.5
83.08624	44.4
85.06556	2.9
85.10189	18.2
91.05474	8.2
93.07047	24.1
95.04945	2.5
95.08608	65.7
97.06526	8.0
97.10180	29.5
98.20761	4.1
99.08084	3.0
102.02223	2.4
102.96122	2.7
105.07019	12.9
107.08605	28.6
109.10155	46.7
110.08680	2.1
111.08075	9.9
111.11742	11.4
114.34322	2.4
119.08591	22.0
121.10153	33.2
123.11702	15.1
125.09608	11.0
129.98470	2.7
131.08533	3.8
132.48250	2.4
133.10126	15.0
135.11681	26.6
137.13274	8.0
139.11192	7.3
145.10153	8.8
147.11697	10.9
149.12154	2.3
149.13271	14.6
153.12758	2.5
157.10062	2.3
159.11703	7.4
161.13277	8.0
163.14816	7.6
167.14299	4.5
171.11737	4.3
171.38918	2.4
173.13283	7.1
175.14828	6.3
177.16348	6.4
181.15817	4.5
187.14825	5.5
187.47685	2.1
189.16359	6.1
191.17975	6.4
195.17276	2.6
201.16429	5.4
203.17877	7.0
205.19557	6.5
207.17233	3.0
209.18990	3.5
213.16469	4.1
215.17989	5.6
217.19489	4.3
219.21051	2.9
229.19583	2.7
331.33588	5.4
349.34680	19.4
405.35226	7.4
423.38361	19.8
441.39304	100.0
442.39081	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	442.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.9
56.05037	2.5
57.03423	2.1
57.07078	13.4
58.17309	1.0
66.97618	1.0
67.05499	5.1
69.07056	4.8
69.43219	7.2
71.08633	11.6
73.02914	1.7
79.05486	1.8
81.03427	1.5
81.07057	9.9
83.08610	4.7
84.04510	100.0
85.02449	1.3
85.02908	14.8
85.10176	4.8
89.06033	2.6
91.05478	1.7
93.07041	4.2
95.08620	12.7
96.04498	1.7
97.10165	1.6
99.04411	1.7
103.03951	13.7
105.06995	1.8
107.08591	3.5
108.04448	1.0
109.10142	5.1
110.06034	1.2
119.08588	2.6
121.10150	1.8
123.11696	2.2
126.05527	33.0
127.03910	1.3
131.08549	1.2
133.08643	1.3
133.10185	1.8
134.10509	1.4
145.10027	1.4
147.11623	1.5
149.13168	1.2
150.05460	1.3
156.06522	2.3
163.14803	1.2
168.06560	3.5
186.07631	15.2
204.08676	14.1
239.23668	5.0
348.20035	1.4
365.26685	2.5
418.15677	1.3
424.30426	3.1
424.35889	1.2
442.31509	9.8
442.37576	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.2
55.01863	2.3
65.03930	3.1
67.05494	3.8
69.07073	3.1
71.04990	3.5
71.50893	3.2
78.04705	3.3
79.05489	10.0
81.07076	9.4
83.04967	4.0
85.02888	3.5
86.09695	2.5
89.03899	2.1
91.05482	11.3
93.07034	8.0
95.04971	2.7
95.08598	7.8
97.06548	2.3
99.04397	2.3
103.05484	3.7
105.07037	15.3
106.04210	3.4
107.04936	10.7
107.08579	6.7
109.02859	3.5
109.06495	4.1
109.10137	4.6
110.03638	3.2
111.04461	3.5
115.05443	9.8
117.07019	4.1
119.04916	2.9
119.08591	10.1
121.06514	5.7
121.10152	4.3
123.04392	9.6
125.05980	6.8
125.56161	1.9
128.06213	7.4
129.07001	6.7
131.04922	4.9
131.08591	4.8
132.05711	4.2
133.06483	6.6
137.05963	7.5
145.06512	2.8
147.04416	4.2
147.08047	9.2
147.11716	3.3
148.07535	3.0
151.03917	4.7
151.07538	17.0
153.05475	9.7
159.08029	8.5
160.05174	3.1
161.05988	12.3
165.05499	2.4
165.06963	2.9
165.09103	4.2
167.07050	100.0
168.23343	2.0
172.05255	2.7
175.07559	46.9
178.07773	2.3
179.08510	2.7
186.06873	2.6
187.07510	18.3
191.07022	3.9
191.08569	5.5
199.07521	6.4
202.07719	4.5
203.08553	5.7
205.06581	3.0
206.07245	4.0
207.08081	2.7
217.08701	2.5
218.07272	5.4
219.08115	12.1
220.08752	4.1
221.05931	2.6
231.08064	7.4
232.08691	2.4
233.05966	3.3
233.09657	5.5
234.06741	5.6
235.07568	5.4
237.09143	5.6
239.09213	11.3
243.07918	2.3
245.09683	2.3
247.07558	6.7
248.08322	5.9
249.09079	5.1
250.06187	2.1
251.10736	4.6
253.08693	3.2
258.39117	2.2
259.07556	5.9
261.09134	4.4
262.10092	2.6
263.06982	4.3
263.10559	3.1
264.07761	4.1
265.08679	6.6
273.09274	3.3
273.12405	2.3
275.06964	2.9
276.07739	5.9
277.08621	8.0
278.05774	2.2
278.09344	4.6
279.10202	5.5
281.08289	2.2
281.11758	4.0
289.08673	3.9
290.09448	4.8
291.10162	10.1
292.07498	3.4
293.08063	6.7
293.11475	3.6
295.09644	3.4
297.11377	4.0
304.07397	3.6
305.08090	4.8
305.11517	4.7
307.09641	5.6
308.10300	5.6
309.11145	5.9
319.09662	8.4
320.10452	6.0
321.11221	10.0
323.12759	4.1
324.13541	6.5
331.44519	2.1
334.11853	3.8
336.13611	4.7
337.10727	4.8
339.12265	90.0
340.12982	20.3
351.12259	20.0
352.13181	12.5
353.13864	3.1
383.15005	9.7
425.15692	3.0
443.16177	2.9
443.23865	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	443.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
54.82278	2.1
55.05523	3.5
56.32127	2.3
62.05954	2.3
67.05508	5.9
68.48895	2.1
69.07076	4.9
70.06583	3.7
71.05025	2.8
71.08636	4.6
74.15506	2.1
78.04711	3.6
79.05492	8.3
81.03385	2.3
81.07059	7.0
83.04979	4.4
85.02884	4.3
85.06557	3.2
88.11270	2.7
91.05489	15.1
93.07051	5.3
95.04977	7.6
95.08604	8.2
98.21143	21.5
100.11266	6.7
103.05462	5.1
105.07031	17.1
106.04177	2.1
107.04967	9.0
107.08599	5.9
109.06538	3.5
109.10176	5.2
111.04462	6.3
111.06475	2.1
115.05465	9.1
117.07001	5.9
119.04943	2.5
119.08609	8.9
120.05721	3.2
121.06534	4.1
121.10146	4.9
123.04439	9.3
123.11725	2.9
125.06001	6.1
125.21467	2.0
128.06198	3.3
128.07072	3.2
129.07027	5.0
131.04938	3.7
131.08566	3.4
132.05771	5.3
133.06506	8.3
135.08044	2.9
135.11717	4.0
137.05980	6.9
145.06464	5.3
145.10182	3.6
147.08043	7.5
147.11734	4.0
149.09619	3.4
151.03960	2.3
151.07552	17.0
153.05467	9.7
159.08095	6.9
161.05989	9.4
165.09117	4.0
166.06194	2.8
167.07050	100.0
170.15398	9.6
171.08023	2.8
171.15787	3.5
173.06017	2.6
175.07564	40.1
177.74843	2.2
179.08655	3.0
182.15437	4.0
183.15778	4.5
184.05310	3.1
187.07567	19.5
189.09120	3.3
190.07782	2.7
191.07042	3.3
191.08574	4.9
193.41724	2.3
198.14934	8.0
199.07530	13.0
199.15117	5.0
202.07753	4.8
203.08543	6.8
205.06560	4.8
206.07266	3.1
207.06451	3.6
207.08163	3.2
210.14946	8.2
211.15237	3.7
218.07310	3.7
219.08084	10.9
220.08846	2.9
221.09727	3.0
229.68829	3.3
231.08012	5.6
233.05972	3.7
233.09726	3.4
234.06778	4.3
235.07571	4.6
237.09148	3.2
239.09146	14.7
247.07565	7.7
248.08305	8.8
249.05591	2.4
249.09103	7.3
251.07082	3.6
251.10780	2.3
259.07471	3.8
261.09067	4.0
263.10727	3.7
264.07858	6.6
265.08664	10.8
271.07779	2.7
273.09119	2.9
275.07104	4.2
275.10678	2.2
276.07883	6.6
277.08722	7.2
278.09473	5.5
279.10147	6.6
281.11627	3.7
288.08014	2.6
289.08575	6.2
290.09341	3.2
291.10175	8.1
293.08240	5.5
293.11670	3.0
294.09021	2.4
305.08389	3.4
306.08536	2.4
307.09637	4.9
308.10461	5.5
309.11349	3.8
319.09702	8.9
321.11194	5.6
322.12027	2.2
323.12875	3.0
324.10025	3.1
324.13577	8.0
337.10764	5.3
338.21970	2.3
339.12274	84.9
340.12961	13.2
349.44531	2.4
351.12363	22.2
352.13098	12.2
383.14862	10.0
413.15494	2.6
424.31787	3.8
425.16406	4.4
425.32278	9.5
430.69632	2.5
443.17017	7.0
443.23346	2.9
443.33154	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	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01884	28.5
55.05508	38.2
57.03436	9.4
57.07074	13.2
65.03946	5.8
66.18896	5.0
67.05498	47.3
68.99774	11.0
69.03426	25.0
69.07070	85.9
70.06568	6.1
70.85839	4.8
71.04991	9.4
73.02916	4.9
79.05494	34.0
79.98988	5.4
80.66602	5.6
81.03425	29.9
81.07066	63.8
83.04979	15.4
83.08612	16.7
85.02895	53.5
85.06535	21.8
86.09731	5.8
86.23701	4.7
87.00835	22.5
91.05475	49.1
93.07048	69.6
95.04962	23.7
95.08614	100.0
97.02894	20.9
97.06528	11.4
97.10162	5.8
99.04446	7.7
99.08099	62.5
103.03945	7.1
103.05479	6.4
105.07037	59.4
107.04961	38.0
107.08604	72.6
109.02901	9.4
109.06527	16.1
109.10173	45.6
111.04423	10.2
111.08092	57.6
111.11745	49.3
113.09636	6.2
117.07021	17.0
119.08593	60.5
121.06501	20.4
121.10152	79.4
123.04427	22.8
123.08080	12.7
123.11726	33.7
125.05972	7.6
125.09640	10.7
127.03917	17.9
129.01823	13.2
129.07011	8.5
131.04913	7.2
131.08559	23.6
133.06505	10.5
133.10132	50.2
135.08047	8.3
135.11703	34.5
137.05992	15.2
137.09633	14.5
137.13202	10.9
139.11194	12.1
140.70738	5.2
143.08482	12.5
145.04948	7.2
145.10149	36.3
147.08054	14.7
147.11668	27.5
149.09583	10.7
149.13246	20.0
151.03896	6.7
151.07529	23.6
151.14873	5.3
153.05493	8.4
155.08630	8.3
157.10136	15.5
159.08076	13.4
159.11678	26.8
161.05992	11.2
161.09633	10.4
161.13295	23.9
163.11310	9.1
163.14810	44.2
165.09058	31.4
167.07054	61.2
168.09465	5.9
169.10103	12.1
171.08087	5.9
171.11653	12.2
173.09630	11.0
173.13257	18.0
175.07605	28.2
175.11226	12.0
175.14861	32.0
177.16423	29.0
183.11638	7.2
185.13297	9.1
187.07512	17.5
187.14796	18.0
189.09167	7.1
189.16402	16.4
191.08630	6.6
191.17996	10.5
193.15877	12.9
197.13242	7.6
199.07516	7.3
199.14819	8.5
201.16360	27.5
203.10684	5.8
203.14398	6.3
205.16057	7.7
211.14888	8.1
213.16443	7.6
217.15852	8.1
219.08067	8.2
219.17494	12.3
227.14320	8.6
231.08096	9.9
239.09132	7.3
243.17522	7.6
248.08330	6.0
261.18689	9.5
267.17523	16.9
275.06927	5.7
276.07947	5.5
277.08673	7.6
285.18430	31.1
290.09430	6.3
303.19632	9.7
307.09534	7.1
319.09598	9.9
339.12311	62.0
351.12183	16.6
352.13043	6.9
383.14789	12.3
389.19669	12.6
407.20578	26.4
425.21722	9.6
443.15646	11.4
443.22675	38.5
443.34128	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	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01869	6.0
55.05516	32.2
57.03428	7.4
59.04995	6.0
60.65738	1.8
61.02926	7.5
67.05500	5.9
69.03091	2.1
69.03438	25.4
69.07070	4.9
70.06605	28.2
71.04992	2.3
71.51170	3.2
72.08145	10.1
73.02896	3.1
74.06073	1.8
75.13231	2.0
78.40016	1.6
78.41977	1.8
79.05503	10.0
81.03416	9.7
81.07065	16.0
83.04984	44.3
83.08601	3.5
84.04504	4.1
84.08140	12.7
85.02912	67.8
85.06539	7.2
86.09716	12.5
87.04497	3.4
91.03983	3.2
91.05488	14.1
93.07066	15.8
95.04977	16.4
95.08600	4.3
97.02897	20.8
97.06549	4.5
98.97516	2.2
99.04458	7.3
101.06025	21.6
105.07063	18.2
107.04961	4.1
107.08609	17.7
109.02901	9.3
109.06528	9.3
109.10162	5.9
110.07197	3.5
110.46461	2.0
111.04428	3.7
115.05492	2.8
117.07033	7.1
119.05003	2.5
119.08591	27.2
121.06497	9.1
121.10151	16.9
123.04402	3.0
123.08083	6.2
123.31284	2.1
125.06002	3.9
127.03925	12.3
128.06233	2.7
129.06995	2.4
129.10237	6.0
131.08566	6.3
133.10133	11.6
135.08086	11.1
135.11696	4.1
137.05989	5.9
137.09627	5.3
141.07054	2.1
143.08568	9.2
145.04956	7.3
145.06505	4.1
145.10104	15.2
145.43434	2.1
147.08073	25.9
149.09602	2.5
151.07570	4.5
157.10132	6.2
159.08025	10.0
159.11705	5.3
161.09637	12.3
163.11194	100.0
165.09154	3.0
171.08076	2.2
171.11748	2.9
173.13176	2.8
175.11076	2.7
175.14861	2.2
177.09128	15.1
179.08556	2.2
179.10649	6.9
181.08745	2.3
181.12248	35.6
185.13251	8.4
187.11223	6.5
189.09117	6.2
199.14836	2.0
201.12749	2.4
203.14383	7.1
205.12300	5.9
207.10202	18.3
215.14445	3.1
217.15875	2.2
227.14319	3.2
233.15375	5.8
245.15401	14.3
263.16443	53.7
281.17468	32.4
343.17432	2.1
403.80646	1.9
425.21664	3.6
443.22879	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	443.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	9.1
55.01884	28.5
55.05508	38.2
57.03436	9.4
57.07074	13.2
65.03946	5.8
66.18896	5.0
67.05498	47.3
68.99774	11.0
69.03426	25.0
69.07070	85.9
70.06568	6.1
70.85839	4.8
71.04991	9.4
73.02916	4.9
79.05494	34.0
79.98988	5.4
80.66602	5.6
81.03425	29.9
81.07066	63.8
83.04979	15.4
83.08612	16.7
85.02895	53.5
85.06535	21.8
86.09731	5.8
86.23701	4.7
87.00835	22.5
91.05475	49.1
93.07048	69.6
95.04962	23.7
95.08614	100.0
97.02894	20.9
97.06528	11.4
97.10162	5.8
99.04446	7.7
99.08099	62.5
103.03945	7.1
103.05479	6.4
105.07037	59.4
107.04961	38.0
107.08604	72.6
109.02901	9.4
109.06527	16.1
109.10173	45.6
111.04423	10.2
111.08092	57.6
111.11745	49.3
113.09636	6.2
117.07021	17.0
119.08593	60.5
121.06501	20.4
121.10152	79.4
123.04427	22.8
123.08080	12.7
123.11726	33.7
125.05972	7.6
125.09640	10.7
127.03917	17.9
129.01823	13.2
129.07011	8.5
131.04913	7.2
131.08559	23.6
133.06505	10.5
133.10132	50.2
135.08047	8.3
135.11703	34.5
137.05992	15.2
137.09633	14.5
137.13202	10.9
139.11194	12.1
140.70738	5.2
143.08482	12.5
145.04948	7.2
145.10149	36.3
147.08054	14.7
147.11668	27.5
149.09583	10.7
149.13246	20.0
151.03896	6.7
151.07529	23.6
151.14873	5.3
153.05493	8.4
155.08630	8.3
157.10136	15.5
159.08076	13.4
159.11678	26.8
161.05992	11.2
161.09633	10.4
161.13295	23.9
163.11310	9.1
163.14810	44.2
165.09058	31.4
167.07054	61.2
168.09465	5.9
169.10103	12.1
171.08087	5.9
171.11653	12.2
173.09630	11.0
173.13257	18.0
175.07605	28.2
175.11226	12.0
175.14861	32.0
177.16423	29.0
183.11638	7.2
185.13297	9.1
187.07512	17.5
187.14796	18.0
189.09167	7.1
189.16402	16.4
191.08630	6.6
191.17996	10.5
193.15877	12.9
197.13242	7.6
199.07516	7.3
199.14819	8.5
201.16360	27.5
203.10684	5.8
203.14398	6.3
205.16057	7.7
211.14888	8.1
213.16443	7.6
217.15852	8.1
219.08067	8.2
219.17494	12.3
227.14320	8.6
231.08096	9.9
239.09132	7.3
243.17522	7.6
248.08330	6.0
261.18689	9.5
267.17523	16.9
275.06927	5.7
276.07947	5.5
277.08673	7.6
285.18430	31.1
290.09430	6.3
303.19632	9.7
307.09534	7.1
319.09598	9.9
339.12311	62.0
351.12183	16.6
352.13043	6.9
383.14789	12.3
389.19669	12.6
407.20578	26.4
425.21722	9.6
443.15646	11.4
443.22675	38.5
443.34128	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	443.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
57.05824	0.6
60.04544	0.7
60.05659	5.5
69.07074	8.8
70.06598	23.6
70.43835	1.5
70.44166	0.6
72.08153	4.8
74.06083	1.0
84.04508	2.4
84.08150	0.8
85.02914	0.7
85.06513	0.6
86.06084	1.5
86.09712	100.0
87.10033	1.0
93.32241	0.5
99.66843	0.5
102.05566	4.8
112.08733	3.2
114.05559	1.4
115.08687	3.7
116.07104	9.8
128.10719	16.1
129.10266	0.9
130.09764	3.0
133.09734	0.8
150.05649	0.8
156.10211	1.0
156.11327	8.2
157.10869	0.7
158.09258	5.7
167.08218	1.2
175.11931	17.1
195.07735	1.3
197.77428	0.5
199.15021	0.6
208.07390	0.6
213.08754	1.1
214.39369	0.5
243.09775	1.2
269.18649	1.2
271.17642	10.4
281.17575	0.6
326.13565	4.3
344.14426	0.7
443.29822	87.9
444.29965	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3889
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
52.83966	3.8
53.03934	4.5
55.05517	17.7
55.28359	3.5
57.07065	9.6
61.73562	3.2
67.05504	37.0
69.07073	42.7
71.05002	17.7
71.51513	6.3
79.05494	22.6
81.06603	4.2
81.07063	83.3
83.08639	18.3
83.79695	3.1
85.06516	4.1
86.81225	3.3
87.04464	3.4
91.05501	17.3
93.07053	55.0
95.04990	4.2
95.08616	100.0
97.10184	6.9
99.08078	10.1
105.07048	35.8
107.08594	66.8
108.08935	3.3
109.09473	6.4
109.10168	85.5
111.11705	6.7
117.07018	4.0
119.08598	38.8
121.10152	50.5
123.08139	4.0
123.11717	45.0
125.09651	3.7
127.11220	23.4
131.08572	10.5
133.10146	40.1
135.11696	51.4
137.13240	15.1
139.11142	3.6
145.10104	12.1
147.11693	28.6
149.13274	44.1
153.12721	12.3
159.11684	19.1
161.13287	31.7
163.14819	21.3
165.09079	4.4
173.13254	12.4
175.14844	21.9
177.09125	7.7
177.16409	18.3
185.13297	5.0
187.14830	11.4
189.16397	24.8
191.10718	3.6
191.17953	47.7
195.17432	3.9
201.16492	7.0
203.17970	21.1
205.19536	6.9
215.17976	11.7
217.19550	24.6
229.19522	8.8
231.21039	9.2
257.22647	4.9
259.24164	4.4
271.24216	5.3
339.30511	4.0
407.36847	4.6
425.33081	4.1
425.37869	51.0
443.18597	10.3
443.33032	32.4
443.39362	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	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05501	12.9
57.07072	8.6
67.05506	22.4
69.07070	23.1
71.08620	3.2
77.67524	3.0
79.05521	14.2
81.07066	45.2
83.08624	14.1
85.06544	5.0
87.04457	6.1
91.05479	16.9
93.07051	35.7
95.08611	89.0
97.06528	4.9
97.10166	8.1
105.07029	27.4
107.08604	47.4
109.10158	70.0
111.08054	7.0
111.11698	4.4
117.07008	3.6
119.08598	43.3
121.10142	47.6
121.87830	3.1
123.08070	3.4
123.11710	27.9
125.05939	3.0
125.09612	8.0
131.08609	7.1
133.10135	55.1
135.08069	4.1
135.11694	37.4
137.09607	8.0
137.13240	10.2
143.08621	5.7
145.10149	11.6
147.11702	32.0
149.13281	18.7
159.11728	9.9
161.13258	22.6
163.14812	18.2
165.09129	59.1
167.74434	3.1
173.13324	4.0
175.14864	11.0
177.16368	10.8
187.14900	6.5
189.09087	2.8
189.16391	16.4
191.17970	36.4
199.34183	3.6
201.16391	7.9
203.10730	10.8
203.17984	31.9
205.19630	3.4
207.17445	4.2
215.17969	4.8
217.19508	34.0
221.18956	4.0
229.16862	3.1
229.19495	5.1
235.20621	4.6
289.21786	3.4
407.36691	8.0
425.38019	34.4
443.33496	100.0
443.38620	9.7
444.33951	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	443.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.2
53.51416	3.0
55.05516	33.6
57.07071	10.0
59.05006	4.2
59.06104	4.8
67.05504	42.8
69.07070	81.8
71.04987	14.5
71.08616	4.3
71.51978	3.9
71.52384	4.3
79.05496	27.1
81.07063	100.0
82.07392	4.2
83.08628	18.3
85.06499	3.4
87.04449	5.5
91.05502	22.9
93.07053	65.2
95.08611	91.6
97.06542	4.3
97.10166	9.0
98.94674	3.2
99.08093	6.3
105.07037	35.2
107.08599	80.0
109.06514	3.9
109.10162	97.4
111.11723	29.7
111.97821	3.1
119.07787	5.4
119.08582	43.8
121.10155	60.7
123.08066	4.5
123.11707	41.1
125.09607	5.0
127.11185	22.8
131.08543	10.2
133.10141	25.6
135.11700	46.7
137.13216	16.4
139.11150	5.3
145.10121	13.3
147.11674	27.2
149.13283	42.5
153.12737	14.7
159.11690	17.1
161.13266	16.1
163.14893	16.4
165.09143	4.8
167.14366	5.3
173.13300	12.4
175.14795	12.2
177.16389	15.2
187.14832	9.4
189.16396	12.5
191.17929	8.4
193.69447	3.7
195.17464	5.6
201.16333	5.4
203.17947	12.6
215.17952	4.7
217.19495	8.8
217.83446	3.2
229.19566	10.7
257.22699	4.4
259.24146	6.1
271.24081	3.7
303.26904	5.0
339.29706	3.9
348.24716	3.7
357.31680	5.5
385.82605	3.7
419.50058	3.4
425.38239	18.2
443.33530	14.3
443.38818	9.4
456.62180	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	443.3887
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05519	26.6
57.07075	8.1
63.00255	4.0
66.04333	4.3
67.05508	37.1
69.03413	5.5
69.07072	60.8
69.37633	3.6
70.75716	8.9
71.04987	8.0
71.08640	10.0
79.05499	26.8
81.07065	78.7
83.08628	25.1
85.06530	6.7
87.04462	7.9
91.05499	23.6
93.07048	57.3
95.05003	5.6
95.08614	100.0
97.10162	16.4
105.07045	30.1
107.08602	66.9
109.10164	77.8
111.11722	18.8
119.08590	36.0
121.06489	4.9
121.10143	50.9
123.11716	36.8
125.09628	6.8
127.11197	10.7
131.08514	8.9
133.10130	36.0
135.11688	47.9
137.13234	14.2
139.11118	5.2
143.08574	5.0
145.10094	15.5
147.11681	23.8
149.07431	5.5
149.09605	4.7
149.13249	30.8
153.12755	6.3
159.11681	17.2
161.13245	18.4
163.14815	17.4
173.13309	9.3
175.14842	11.6
177.16411	20.2
179.17671	4.8
187.14783	10.0
189.16426	10.2
191.17964	14.8
195.17387	6.1
201.16353	11.2
203.17958	16.7
212.85463	4.7
213.16365	4.7
215.18016	7.0
217.19534	15.1
221.93353	4.0
227.17952	4.2
229.19431	7.7
231.21129	7.3
233.19000	4.1
245.67233	4.1
259.24252	7.3
259.93140	4.4
271.24344	5.5
277.25372	4.1
297.25415	4.6
344.59521	3.9
383.88641	4.1
407.15109	4.0
407.36798	8.0
425.37787	39.1
443.33786	12.1
443.39322	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	443.3887
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
51.77409	1.8
52.89785	2.1
55.05512	16.9
56.53722	1.7
57.07082	13.4
66.55058	1.8
67.05513	28.1
69.07071	36.3
71.05001	5.2
71.08644	3.2
71.25643	2.6
71.25980	4.1
73.02921	13.2
79.05489	13.5
81.06588	4.2
81.07063	82.4
83.04967	2.2
83.08633	17.3
85.10200	2.7
91.05487	14.1
93.07049	30.8
95.04960	2.1
95.08614	100.0
97.06532	5.0
97.10169	8.7
105.07028	21.3
107.08601	52.2
109.10164	69.8
110.65843	1.9
111.08101	2.7
111.11727	12.7
119.08575	25.3
121.10150	40.2
123.08077	3.5
123.11708	33.2
125.09637	4.6
127.11215	3.1
131.08556	6.4
133.10133	32.3
135.11700	34.8
137.06004	5.7
137.09660	2.9
137.13263	18.0
138.89185	2.3
145.10117	9.1
147.11688	15.2
149.13283	25.6
151.11186	10.8
151.14844	6.0
153.12715	3.3
159.11726	14.7
161.13268	11.8
163.14845	15.3
165.09111	6.3
165.12637	2.9
173.09673	2.9
173.13321	4.4
173.79103	2.1
175.14824	12.6
177.16386	18.3
179.18010	3.8
179.99371	2.4
187.11250	5.9
187.14928	4.3
189.16368	19.4
191.17938	13.0
201.16373	5.7
203.17998	14.8
205.12311	3.2
205.19525	21.8
207.17448	15.4
211.37224	1.9
213.98605	2.3
215.17972	7.5
217.19588	14.0
219.21091	4.4
221.19083	10.0
229.19559	5.5
231.21107	8.7
233.18964	3.0
245.22729	7.9
251.20177	2.0
257.22739	3.9
259.71539	2.0
271.24231	6.7
278.42914	2.3
285.25806	3.3
325.29025	2.0
407.36697	13.6
425.38019	30.3
443.33731	15.2
443.38821	64.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	13.6
62.06746	6.9
67.05509	11.5
69.07098	9.2
69.28603	6.7
70.06592	100.0
70.31144	14.3
70.31535	12.8
72.08154	46.8
72.25749	7.4
79.05466	12.1
81.03417	9.7
81.07047	10.8
83.04937	9.7
84.04505	62.3
84.08146	37.3
85.02901	20.1
86.09709	29.8
91.05448	9.0
93.07041	23.9
95.08598	13.2
96.04490	24.5
97.02892	8.2
98.06031	21.7
105.07049	14.2
105.48693	7.0
107.04945	18.9
107.08610	11.8
107.90386	7.9
109.02898	12.9
118.06875	15.6
119.08524	8.3
122.06024	7.7
124.89124	7.1
126.05530	95.1
129.10303	18.2
135.08014	9.7
138.05504	81.6
144.06564	15.6
159.09116	8.9
159.11638	9.1
163.07596	9.5
163.14825	17.3
168.06584	54.5
186.07553	22.2
187.11130	20.7
201.12698	16.6
204.08591	12.6
223.16846	9.2
240.73294	7.4
247.13330	39.4
277.49448	7.0
324.51422	8.2
403.12198	7.2
426.24423	8.9
445.14258	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	445.1112
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
55.69505	3.2
56.96568	15.6
57.03421	4.1
65.06153	3.5
69.03432	5.1
70.06577	6.5
70.74657	9.7
70.98095	4.4
73.02934	4.6
73.04742	3.8
83.53188	3.7
84.08156	6.5
85.02905	9.9
85.73426	3.3
86.09699	6.2
97.02899	5.3
97.96856	3.9
98.97577	41.1
102.96831	4.3
110.97571	14.6
112.99169	4.6
116.98611	7.0
124.71227	4.2
128.98619	11.7
129.10229	4.8
130.93317	3.5
146.99615	5.7
152.05734	7.8
156.96761	3.6
158.99664	6.6
164.89485	3.8
184.96436	7.6
189.00673	4.3
201.00677	4.4
202.97581	5.9
211.04588	4.4
214.95361	4.9
219.01860	10.2
228.98480	4.2
232.96593	5.3
237.02823	12.4
261.43518	4.2
301.06155	4.4
385.07965	9.3
397.08411	4.1
402.92975	5.2
445.11108	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1109
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
55.89437	2.9
56.34152	3.0
62.41291	2.8
70.23843	5.4
70.24220	7.5
85.53873	3.3
106.81444	2.8
112.50824	2.7
127.04972	3.1
167.68983	3.0
188.52017	2.9
314.20792	3.9
325.03934	2.7
394.96692	2.8
403.35648	3.1
404.90347	3.0
445.11139	100.0
460.64990	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	445.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.3
55.01886	2.3
55.05524	12.2
57.03439	16.9
59.04991	2.5
62.66765	2.3
63.77551	2.2
67.05186	3.6
67.05514	48.5
69.03433	25.0
69.07060	9.6
69.96680	11.2
71.05000	100.0
73.02886	2.6
75.98953	2.3
79.05494	21.5
79.61416	2.2
81.02938	2.8
81.03424	51.8
81.06596	3.8
81.07066	73.9
83.04974	13.8
83.08616	14.6
85.02904	12.0
85.06525	8.5
91.05482	41.3
93.06594	2.2
93.07066	26.3
95.04958	4.7
95.08605	13.0
97.02897	30.6
97.06522	9.9
98.21478	3.4
99.04453	7.3
105.07032	25.3
107.08616	21.1
109.02872	8.0
109.06506	3.0
109.10152	12.9
111.04445	3.0
117.07021	3.3
117.38548	2.5
118.97425	2.1
119.08600	6.5
121.10152	10.7
123.11754	14.6
127.03920	7.9
129.05489	2.9
131.08549	6.9
133.10153	36.1
135.11732	5.4
145.10149	3.5
147.11642	3.9
149.13232	8.7
151.11153	22.1
157.10133	3.3
159.11668	12.3
165.09096	11.6
173.04454	27.3
177.12761	9.1
179.14171	3.0
183.13814	13.8
187.13304	32.3
187.14780	4.0
193.12209	2.6
195.13803	7.4
201.14830	18.5
243.15924	5.0
257.17502	55.9
257.20038	4.5
269.17267	3.4
301.20050	4.7
339.18365	3.8
359.02737	2.8
395.20642	4.0
413.21857	12.3
431.04950	3.0
445.24469	59.9
445.33459	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	445.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
53.67707	1.1
55.01865	2.5
55.05520	16.6
57.03426	3.3
57.07085	1.3
67.05510	47.1
69.07079	15.4
69.87386	5.1
71.04997	2.9
79.05500	40.8
81.03419	2.9
81.07066	41.1
83.04958	3.3
83.08620	6.8
85.02945	1.5
85.06523	3.2
87.04455	1.1
91.05484	50.5
93.06487	2.2
93.07053	29.4
95.04962	5.6
95.08609	25.3
97.06521	3.1
97.10155	3.5
103.05492	2.3
105.04529	2.8
105.07040	50.1
107.04965	5.5
107.08600	17.2
109.06509	4.7
109.10155	9.7
111.08091	3.3
115.05482	4.0
116.06230	2.0
117.07024	25.5
119.08588	26.7
121.06522	9.1
121.10136	9.8
123.08055	3.7
123.11661	1.3
125.09681	1.7
128.06236	4.7
129.07018	20.7
130.07768	1.6
131.08583	40.2
133.06502	4.3
133.10143	14.0
135.08076	3.0
135.11702	4.7
137.09665	1.9
141.06981	7.5
142.07802	1.8
143.08574	19.8
145.06461	2.9
145.10130	23.6
147.08061	5.4
147.11673	4.4
149.09612	2.0
149.13277	1.6
154.07774	1.8
155.08582	11.6
156.09349	1.2
157.06555	2.0
157.10152	12.4
159.08110	3.5
159.11702	9.2
161.09639	4.0
161.13197	2.5
163.11165	2.3
167.08556	4.0
167.43105	1.1
169.10133	10.2
169.92436	1.1
171.08009	1.8
171.11700	9.8
173.13283	4.8
175.11171	1.8
175.14861	1.7
177.12828	1.6
179.08504	1.9
181.10153	8.0
183.11760	6.6
185.09607	1.9
185.13252	4.3
187.11159	1.9
187.14848	3.7
195.11682	6.7
197.13287	5.7
199.11162	3.3
199.14738	1.8
209.13184	3.0
211.14903	3.4
213.12740	2.4
213.16452	1.8
217.16026	1.8
223.14891	3.0
225.16350	2.3
227.14288	1.5
231.17401	2.7
233.15437	3.0
241.15942	2.5
243.17537	1.7
245.15530	1.6
247.17055	2.7
255.17444	3.0
257.19080	1.4
259.16949	2.4
261.18805	1.4
269.19144	1.5
273.18414	1.2
325.25223	6.4
335.23804	6.3
343.26370	7.3
353.24789	23.1
359.03073	2.2
371.25824	20.7
389.26895	14.3
389.38657	1.2
427.28363	4.4
445.29495	100.0
446.29782	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.01869	3.0
55.05268	1.7
55.05513	18.6
57.03429	2.7
58.57327	1.4
60.88110	1.2
65.03932	3.2
66.05814	1.3
67.05508	42.1
69.07069	13.6
69.66870	1.3
70.63403	2.2
70.63737	1.5
71.04982	3.2
71.12788	1.3
71.39005	1.2
79.05495	38.7
81.03469	1.4
81.07058	38.9
83.04973	3.7
83.08609	5.8
85.06526	2.8
86.09690	1.4
91.05483	48.8
91.70476	1.3
93.06485	2.1
93.07046	35.6
95.04962	5.6
95.08609	26.1
97.06536	3.8
97.10135	2.9
98.20785	1.5
99.08118	1.5
103.05491	1.6
105.07040	50.3
107.04945	3.6
107.08606	16.0
109.06522	4.3
109.10178	8.9
111.08080	1.9
115.05465	3.6
116.06215	2.1
117.07031	23.0
119.08582	31.7
121.06504	4.5
121.10152	12.4
123.08083	2.9
124.45853	1.3
125.06200	1.5
125.09602	1.7
128.06227	4.3
129.07007	19.1
131.08562	39.7
133.06491	3.9
133.10130	13.8
134.28325	1.5
135.08040	2.5
135.11678	6.2
137.09665	2.1
141.06996	5.0
142.07768	2.7
143.08551	12.8
144.09290	1.6
145.06494	2.9
145.10124	19.4
147.08066	5.0
147.11693	4.8
149.09627	3.9
154.07745	1.5
155.08563	8.2
157.10097	11.7
159.08002	1.4
159.11707	9.8
161.09653	2.1
167.08543	2.3
168.09290	2.0
169.10094	8.7
171.11665	9.4
173.09665	2.1
173.13309	4.5
174.41574	1.3
181.10132	5.2
183.11705	6.5
185.09624	1.6
185.13315	4.6
187.11115	1.5
187.14775	3.6
195.11746	4.4
197.13312	5.6
199.14891	2.7
201.12784	1.6
201.16454	2.2
209.13264	4.8
211.14847	5.3
213.12715	2.2
215.14381	2.1
223.14842	3.2
223.30606	1.4
225.16391	2.2
229.15906	3.1
231.17310	1.3
233.15569	2.4
237.16335	1.9
241.15982	1.9
245.15335	1.8
247.16934	4.4
259.17010	2.4
261.18488	2.3
273.18542	1.8
274.26596	1.3
325.25131	3.1
335.23712	9.3
343.26428	8.0
347.21979	1.4
353.24725	22.8
371.25827	19.0
389.26819	20.2
427.28357	3.3
445.29523	100.0
446.29749	4.7
455.75836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82174	1.2
52.99826	1.0
53.03932	5.7
55.01868	3.4
55.05512	17.1
57.03450	1.8
57.07072	3.1
57.47381	1.3
61.54790	1.4
63.15123	1.3
65.03925	3.6
67.05505	43.2
69.07065	15.1
70.40466	1.2
71.04976	2.9
73.04735	1.5
79.05492	33.9
81.07056	44.3
83.04992	2.3
83.08619	9.2
85.06540	3.5
91.05473	56.8
93.07045	38.9
95.04957	5.9
95.08604	26.3
97.06524	4.8
97.10160	3.9
99.08082	1.5
103.05462	3.1
105.03399	5.3
105.04522	2.2
105.07030	49.3
107.04962	8.7
107.08604	16.0
109.06519	5.8
109.10155	9.4
111.08043	1.7
115.05470	3.4
115.59372	1.3
116.06187	1.4
117.07013	23.2
119.08585	30.0
121.06487	6.6
121.10141	11.7
123.08064	1.9
123.11734	1.7
125.09615	1.7
128.06168	6.1
129.07010	17.7
131.08574	38.7
133.06471	4.4
133.10130	19.5
135.08055	4.7
135.11708	7.3
141.07005	5.6
142.07777	3.0
143.08560	18.2
145.06517	2.6
145.10130	24.0
147.08040	5.4
147.11636	5.3
149.09610	3.3
150.71242	1.5
155.08549	8.3
157.10126	13.6
159.08109	2.7
159.11693	12.0
161.09612	3.4
161.13246	5.4
163.11270	1.6
165.09114	2.1
167.06908	1.5
167.08559	2.8
168.09303	1.7
169.10167	8.7
171.11684	9.0
173.13240	5.7
175.11185	1.7
177.12820	2.1
179.08405	1.5
181.10115	5.0
183.11720	6.7
185.09514	1.7
185.13274	6.1
187.11194	2.2
187.14845	5.3
195.11650	4.6
197.13269	5.8
199.14713	2.7
205.15738	1.5
209.13298	5.2
211.14818	3.5
213.12872	2.0
223.14804	2.4
225.16371	3.3
227.14238	3.0
231.14012	1.4
233.15356	3.1
237.16484	2.0
241.16060	2.0
245.15219	1.5
247.16940	2.6
257.30243	1.2
259.16946	1.8
261.18622	1.9
268.62170	1.3
273.18472	1.9
325.25266	5.0
335.23621	6.1
343.26352	6.3
353.24707	23.5
359.02899	2.5
371.25833	21.0
389.26859	20.5
390.27380	1.6
427.28543	6.3
445.29504	100.0
446.29825	1.9
462.96576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	4alpha-carboxy-4beta-methyl-5alpha-cholesta-8-en-3beta-ol
Peak:m/z	Relative Intensity
53.03955	2.6
55.01868	4.7
55.05513	18.1
57.07080	24.7
67.05493	9.8
69.07072	31.6
71.08627	17.0
79.05495	11.6
81.07053	26.7
83.04976	11.1
83.08628	21.1
84.49223	2.3
85.10182	8.6
91.05489	11.1
93.07034	13.6
95.04990	4.0
95.08602	17.9
95.35320	3.2
97.06537	3.0
97.10162	16.1
98.20772	4.9
105.07040	13.0
107.08604	14.7
109.06516	16.7
109.10160	11.5
111.11702	10.5
119.08554	7.4
121.06499	7.7
121.10112	4.4
123.08086	4.3
123.11706	4.8
125.06002	31.0
125.13305	2.8
129.54648	2.6
131.08588	3.8
133.06522	17.5
133.10121	3.4
135.08057	12.6
137.05983	89.9
137.09665	7.9
139.07542	23.8
143.08549	3.4
145.10098	3.7
147.11719	4.0
149.09624	11.4
149.13210	2.9
151.07553	30.4
153.09094	3.8
156.09323	3.6
157.10144	4.0
159.11725	3.2
161.05991	18.6
161.09613	6.0
161.13245	3.6
163.07584	6.6
163.11212	2.8
165.09113	45.3
167.07062	7.4
171.11691	14.3
173.09676	4.1
175.07552	4.2
175.11247	10.2
177.09140	6.5
178.43788	2.3
179.07042	100.0
181.08569	8.0
185.13257	7.9
186.34923	2.8
188.12015	3.6
189.12798	9.1
191.10695	4.2
202.09970	14.7
203.10693	12.2
203.14238	6.1
205.12274	7.0
213.12746	4.1
217.12231	6.5
231.13800	7.0
252.85747	2.8
385.34555	3.1
399.36276	15.7
403.35565	4.3
417.37338	12.9
426.50168	3.2
427.35703	22.7
445.36798	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Swinhosterol B
Peak:m/z	Relative Intensity
54.12613	2.2
55.01859	2.3
55.05516	27.3
57.06835	2.7
57.07081	41.4
67.05509	11.9
67.05791	2.2
69.03419	2.5
69.07072	44.2
70.26173	2.7
71.08636	27.0
71.35413	3.0
71.35748	2.6
79.05496	9.5
81.07063	25.5
83.04995	11.5
83.08227	2.9
83.08630	34.6
85.10196	14.7
91.05450	6.3
93.07063	12.2
95.08606	22.9
97.06519	2.9
97.10169	22.7
105.07037	6.5
107.08613	14.3
109.06517	12.8
109.10169	17.3
111.11723	13.6
117.07040	2.2
119.08578	6.3
121.06496	6.5
121.10126	8.5
123.08064	7.0
123.11705	5.5
125.05999	4.0
125.13239	5.5
131.08600	6.1
133.10130	6.3
135.08049	18.1
135.11636	4.0
137.05974	22.0
137.09592	10.9
139.07538	24.5
145.10101	3.1
147.08246	2.2
147.11670	5.6
149.05966	3.0
149.09615	18.0
151.07599	13.7
151.11234	2.6
151.14847	2.9
153.09090	6.7
156.09343	5.7
157.10129	3.3
159.08092	6.2
159.11691	5.2
161.09586	6.9
161.13246	4.4
163.07527	13.0
163.11185	8.1
165.09123	100.0
167.07033	9.8
171.11714	14.6
173.09636	4.8
173.13271	2.6
174.10405	6.3
175.07634	2.5
175.11224	18.1
177.09099	16.4
178.09909	9.6
179.10663	6.0
181.08615	16.0
185.13248	13.5
188.11981	3.2
189.09125	8.3
189.12723	15.2
191.10661	10.2
193.08647	3.9
193.12219	2.9
199.11237	2.8
201.12767	3.2
202.09903	22.0
203.10677	24.5
203.14349	8.4
205.12236	15.5
207.13814	4.9
213.12782	4.2
217.12213	10.0
217.15652	2.3
219.13760	3.2
221.11504	2.2
221.15224	3.1
224.94302	2.8
231.13824	20.4
233.15327	2.6
245.15358	5.3
263.16510	3.4
291.23041	2.7
334.20230	2.4
385.34564	9.3
399.36404	16.8
403.35538	8.1
409.34650	4.9
417.37366	7.8
427.35776	33.7
445.36877	36.0
446.37250	4.3
457.89639	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05515	11.5
57.07081	4.8
59.50183	0.8
67.05508	6.5
69.07069	16.2
71.08628	2.7
71.51752	1.3
79.05503	2.8
81.03381	1.3
81.07064	9.5
83.04973	0.9
83.08611	8.2
91.05482	2.6
93.07066	3.9
95.08619	7.8
97.10169	6.0
105.07030	2.6
107.08569	5.1
109.06542	1.0
109.10156	6.9
111.11725	2.9
117.06954	0.9
119.08598	4.1
121.06581	0.9
121.10136	2.4
122.07262	1.3
123.11694	2.8
127.03952	1.1
131.08597	1.6
133.10106	2.0
135.08037	1.7
135.11719	2.6
137.09631	9.2
137.13242	1.1
145.10136	2.4
149.09624	10.1
159.11710	2.2
160.08904	0.8
161.13245	1.1
163.11188	11.9
165.09123	100.0
171.11620	1.0
173.09578	1.4
173.13240	1.5
175.11189	3.3
176.08418	1.1
177.09108	6.5
177.12784	1.9
187.11166	1.5
189.09174	1.2
189.12726	1.3
191.10654	6.2
196.93280	0.8
199.11203	3.1
201.12820	1.1
203.10645	4.0
203.14359	1.0
205.12227	6.0
217.12212	1.4
219.13812	3.1
231.13922	0.9
233.15469	1.0
415.15433	2.5
427.35605	3.8
430.18039	2.0
445.20065	16.2
445.36880	6.0
446.20770	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
53.89395	2.8
53.90499	2.5
55.01864	10.1
55.05515	45.6
57.06831	3.7
57.07079	49.7
67.05508	23.1
69.07074	82.0
70.47006	2.9
71.00829	6.4
71.08640	32.1
79.05501	21.4
81.06599	4.0
81.07063	66.1
83.04959	10.9
83.08160	4.3
83.08622	52.4
85.10174	13.5
91.05499	13.1
93.07043	32.6
95.08064	4.6
95.08613	54.7
97.06510	5.5
97.10174	34.8
105.07005	8.9
105.30760	2.7
107.08605	28.6
109.06514	6.2
109.10157	32.3
111.08051	11.6
111.11713	22.8
116.78621	2.8
119.08580	12.2
121.06497	8.0
121.10159	13.9
123.08067	9.8
123.11730	16.5
125.09558	3.4
125.13274	9.0
127.67136	2.9
131.08554	5.1
133.10104	6.3
135.08051	11.4
135.11682	9.2
137.05951	9.3
137.09628	6.6
137.13258	6.6
139.07550	100.0
145.10106	8.6
147.11696	3.6
149.09584	11.3
149.13255	14.2
150.75497	2.9
151.07556	11.7
152.08319	2.7
157.10159	6.8
159.11702	3.7
161.09663	4.1
163.07529	9.9
163.14824	14.0
165.05521	16.2
165.09119	53.6
171.11679	12.5
173.09644	6.1
174.10466	6.7
175.07632	3.4
175.11157	10.8
177.09125	12.7
177.16443	3.7
179.10553	3.3
181.08536	8.0
185.13167	5.2
189.09169	5.3
189.12764	10.9
191.10664	7.8
193.08607	17.3
195.10208	3.3
199.11101	4.0
202.09901	6.7
203.10681	18.2
203.14317	5.2
205.12212	7.6
217.12233	10.1
219.13818	4.7
221.11604	4.1
228.91388	3.3
231.13824	8.6
268.29953	3.1
289.28955	16.0
307.29895	18.3
346.79099	3.0
381.35172	4.7
396.56339	3.5
399.36166	12.8
417.37280	7.3
420.22003	3.0
427.35703	18.0
445.36765	59.9
446.37076	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	446.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01874	1.2
57.03427	1.0
58.74878	0.7
58.99614	0.8
65.03947	0.9
69.03430	4.6
70.06582	3.2
71.04980	1.3
71.51077	1.3
72.08155	1.5
73.02895	1.4
81.03423	5.8
82.19851	0.9
83.06123	1.0
84.04494	1.9
84.08160	0.9
85.02908	10.6
86.09698	4.5
87.00814	5.3
91.05463	1.1
93.98053	0.8
97.02893	5.7
99.04460	2.8
105.01862	2.0
108.04485	3.0
109.02895	5.3
119.04932	2.6
121.02890	2.0
126.05524	1.0
127.03935	7.3
129.01811	0.9
133.02856	3.6
133.06555	0.9
135.04474	3.6
144.75294	0.7
145.04962	2.9
147.04413	6.5
149.02348	100.0
150.02704	1.3
158.96201	0.7
159.02917	2.4
161.05960	1.1
163.03912	71.0
164.04279	0.9
179.07016	1.5
181.04968	33.9
188.07077	1.4
213.15868	0.9
231.05023	1.3
248.07945	0.8
301.30630	0.7
314.07379	2.3
338.22971	0.8
340.08844	0.9
360.03009	1.0
368.08612	1.7
410.09494	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
57.03423	3.1
58.82384	2.3
60.88197	2.3
61.02928	5.8
61.53838	2.7
69.03434	35.3
70.06588	24.0
71.24415	5.1
72.08150	11.3
73.02931	3.6
81.03429	13.6
84.04502	6.1
84.08128	4.0
85.02908	54.0
86.09714	22.3
91.05466	18.4
93.53550	2.2
97.02893	31.6
99.04450	16.2
100.71136	2.5
103.07584	2.7
109.02884	100.0
110.07153	2.8
117.06998	7.2
119.44728	2.5
125.44877	2.7
126.05494	3.8
127.03925	57.4
129.10199	3.4
139.03899	6.0
145.04944	18.2
145.06496	11.1
147.04411	14.1
149.02345	61.3
163.03931	46.0
165.01765	3.5
169.04933	16.3
179.07065	14.4
179.08498	3.2
181.04965	20.4
185.16577	4.2
186.94633	2.7
187.06036	22.0
189.05475	9.0
205.07094	59.7
207.06505	4.9
218.37228	2.7
225.07431	2.5
231.12361	3.3
232.12631	2.9
244.11154	2.6
297.07062	3.4
299.05341	4.2
307.41251	2.9
313.06958	4.6
314.07291	14.8
340.08868	3.4
368.08337	9.5
392.08359	3.4
410.09531	3.9
428.10626	3.0
430.05200	2.6
446.11749	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	446.2609
Annotation	Asn-Leu-Leu-Ser
Peak:m/z	Relative Intensity
52.75431	0.2
55.05508	0.3
56.05034	0.4
57.05808	0.3
58.06609	0.4
60.04527	2.9
63.08341	0.2
69.07071	7.4
70.02900	0.2
70.06587	0.7
71.11882	0.4
71.75240	0.2
72.08163	2.6
73.04745	0.3
73.08490	0.3
74.02450	1.5
74.02802	0.2
84.08142	1.1
86.09708	100.0
87.05592	4.8
87.10040	1.2
88.03991	0.6
105.06647	0.5
109.46877	0.3
116.03460	0.9
125.10816	0.4
128.10724	1.9
129.10280	0.6
133.06093	16.6
138.09181	0.2
155.11824	0.8
173.12868	14.7
183.11279	2.6
185.16492	0.7
201.12358	9.5
213.16048	0.3
214.16356	0.4
216.09579	0.3
228.06563	0.3
229.11848	2.3
246.14500	14.4
251.17758	0.5
254.14951	0.7
272.16129	0.4
286.21613	0.3
287.45444	0.3
296.19702	8.0
314.20776	0.9
315.16571	0.3
316.15073	0.4
332.02408	0.2
333.17615	2.7
395.02069	0.3
412.30991	0.2
429.23465	0.5
446.26389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96852	0.5
55.05512	1.2
57.07066	1.2
67.05511	3.1
69.07052	1.8
70.74302	0.5
71.51673	0.9
71.56610	0.5
79.05488	0.8
81.07039	1.5
83.08618	1.3
88.25175	0.6
91.05447	0.9
92.64594	0.6
93.07039	1.7
95.08618	1.0
105.07006	0.6
107.04987	0.6
109.10166	4.6
113.92071	0.6
119.08613	2.9
121.06510	11.3
121.10104	0.5
122.07298	1.4
123.11721	0.5
135.08028	1.9
136.08846	13.3
137.09628	13.6
149.09608	1.5
151.07579	0.6
152.08383	1.4
164.08344	32.8
165.09123	100.0
166.09563	2.7
177.09071	1.5
177.12767	0.5
187.11165	0.8
189.09059	1.6
190.09843	1.5
203.10675	1.5
205.12268	7.7
206.12642	0.6
227.98680	0.5
283.78040	0.5
373.14389	0.6
387.16022	0.6
401.76794	0.6
403.18964	1.4
404.19543	0.7
416.16132	1.6
417.16852	1.5
419.22504	0.9
428.36536	83.3
429.37021	4.4
429.42169	0.7
430.17892	0.7
431.18408	3.2
446.20770	17.0
446.37500	3.2
447.21725	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	446.375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64427	0.4
55.05498	1.8
56.05847	0.5
56.94286	0.5
57.07055	1.0
59.17453	0.5
67.05501	3.4
69.07080	3.3
69.16135	5.4
70.07380	0.7
71.08632	0.7
74.62060	0.4
79.05487	0.6
81.07053	2.5
83.04951	0.6
83.08620	1.4
88.02847	0.4
91.05484	1.1
93.07038	1.4
95.08605	2.1
97.10151	0.5
104.68500	0.4
105.07044	0.6
108.09431	0.5
109.06461	0.5
109.10166	5.6
111.11707	0.7
117.06964	0.6
119.08573	3.2
119.56394	0.4
121.06515	10.1
122.07308	2.2
133.10095	0.5
135.08073	1.5
136.08847	12.1
137.09634	14.7
149.09636	2.5
150.10028	0.5
151.07462	0.5
152.08316	0.9
163.11292	0.8
164.08348	32.6
164.17813	0.5
165.09123	100.0
166.09465	7.0
167.88019	0.5
177.09160	1.4
178.09662	0.7
187.11093	0.8
189.09122	1.4
190.09842	0.7
191.10661	1.5
203.10675	1.2
205.12239	6.7
221.58546	0.5
284.45142	0.5
347.23596	0.5
428.36505	23.7
429.37009	0.7
446.37567	66.7
447.38092	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	447.3474
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
53.00293	0.5
53.03934	0.5
55.01859	0.5
55.05498	1.2
57.06840	0.6
57.07084	8.2
64.22161	0.4
66.84686	0.5
67.05501	1.1
69.03411	0.4
69.07061	1.3
70.08603	1.4
70.08993	0.9
71.08638	4.9
79.05483	0.9
81.07038	2.1
83.04962	0.5
85.10181	2.2
91.05470	0.5
93.07038	1.4
95.01324	1.9
95.08611	1.5
97.06473	0.5
99.00196	0.8
99.00820	10.4
99.04448	1.6
105.07034	0.5
107.04915	0.5
107.08604	1.2
109.02859	1.1
109.06509	1.0
109.10180	0.9
111.04489	0.5
113.02370	2.4
116.76227	0.4
117.01859	0.4
119.08589	0.9
121.10082	0.4
125.05972	1.5
134.98209	2.4
135.04425	1.0
135.08031	1.2
137.05940	0.7
146.02754	0.4
149.02423	0.6
149.05966	0.7
151.07535	0.7
153.05466	2.5
159.11681	0.6
163.07578	2.7
163.11250	0.5
165.09160	0.4
177.09200	1.6
181.04971	13.6
183.06549	0.9
191.07060	1.3
191.10674	1.0
195.06549	30.6
205.08568	1.2
205.12227	0.7
209.08105	17.0
223.09685	15.6
224.10031	0.4
237.11246	11.8
251.12830	9.0
265.14395	4.1
279.15936	2.5
293.17526	1.9
307.19131	1.8
313.27457	1.3
321.20569	1.7
335.22327	1.0
377.26755	0.7
391.28519	0.6
408.84399	0.5
409.60727	0.4
447.25778	10.6
447.34723	100.0
448.34973	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	447.3831
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
53.98459	3.5
55.05516	34.8
57.07080	42.9
58.44800	3.5
67.05504	22.7
69.06740	3.8
69.07076	56.5
71.08635	27.1
74.33115	3.3
79.05484	13.8
81.07052	43.5
83.04978	11.5
83.08624	38.5
85.10170	13.0
91.05449	9.5
93.07046	22.5
95.04997	4.8
95.08610	41.0
96.27394	3.9
97.10157	18.7
98.42038	3.8
105.07018	16.4
107.08611	30.2
109.06505	5.2
109.10172	28.1
111.04462	6.4
111.08057	7.1
111.11708	13.7
117.07042	4.1
119.08591	19.7
121.06494	16.8
121.10123	24.3
123.08058	25.2
123.11726	8.7
125.05969	12.1
125.13303	8.0
127.07550	16.4
131.08534	12.0
133.10107	19.7
135.08054	23.7
135.11708	10.7
136.08835	10.4
137.05965	7.4
137.09665	24.1
138.09921	5.1
139.07553	33.8
145.10095	13.3
147.11673	6.5
149.02321	10.1
149.09668	21.7
149.13257	5.7
151.07576	18.2
153.09117	14.6
159.11687	15.5
161.09644	8.3
161.13248	9.8
163.07556	21.6
163.11191	11.1
164.08351	12.4
165.09116	99.5
166.09473	26.6
169.08560	13.6
173.13255	12.2
175.11134	11.2
177.09070	9.7
177.12744	8.5
181.05003	5.2
181.08517	11.3
187.14738	4.6
189.12799	4.4
191.10712	10.3
191.14334	4.6
201.12912	3.8
203.10652	5.0
204.11070	5.2
205.12193	5.7
206.12518	5.3
210.17970	3.8
215.14336	4.6
219.13913	4.0
221.15379	8.0
233.15274	5.3
292.97607	4.1
387.36380	13.5
401.37805	8.4
411.36179	8.7
429.37152	100.0
447.38995	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	447.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01870	0.8
55.05274	0.9
55.05516	11.1
55.75660	0.8
57.06823	1.2
57.07079	12.2
63.87699	0.7
64.78313	0.9
67.05508	2.8
69.07078	5.3
70.69328	1.8
70.69705	1.6
71.08642	9.2
79.05486	2.7
81.07059	5.2
83.01334	1.5
83.04489	1.8
83.04987	32.3
83.08615	4.2
85.10194	5.9
91.05474	4.3
93.07045	9.6
95.04965	1.5
95.08606	5.4
97.06546	1.5
97.10155	3.8
99.04477	1.0
99.08081	2.4
105.07005	1.8
107.08607	4.6
109.06515	2.5
109.10146	2.0
111.04415	1.0
111.08081	4.1
117.07008	1.7
119.08596	1.5
121.06518	21.3
121.10165	2.4
123.08101	3.5
123.11695	1.3
124.15717	0.8
125.06002	2.1
125.13251	0.7
127.07557	9.1
131.08612	1.0
133.10190	1.1
135.08075	11.5
135.11700	1.1
137.05991	3.4
137.09637	4.4
139.03931	7.3
139.07549	52.3
145.10136	1.1
149.02356	2.4
149.09601	3.6
151.07552	1.8
153.05479	3.1
153.09117	5.0
157.10056	1.0
159.11679	1.9
162.06265	0.7
163.07541	11.5
163.11220	2.4
165.09161	3.4
167.07051	1.3
167.10704	2.3
169.08688	1.1
170.80530	0.7
175.64369	0.7
177.09108	1.0
177.12859	1.8
179.07117	1.1
179.10706	1.1
180.07797	1.9
181.04993	7.2
181.08603	15.1
181.12166	1.6
191.10680	1.5
191.14197	1.2
195.13896	1.3
205.12323	1.2
209.11766	1.4
219.13779	1.0
223.13324	1.9
233.15300	0.8
237.14938	1.6
251.16412	1.1
265.18033	1.5
279.19705	1.2
293.21097	1.6
307.22571	1.6
335.25897	1.5
377.30362	0.9
390.25262	0.8
405.37350	1.8
419.35434	1.6
429.37387	2.9
447.38416	100.0
448.38416	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	447.3835
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
51.02374	0.8
51.38439	0.9
53.03946	2.3
55.05516	15.1
57.07083	7.8
58.77646	0.7
61.05986	0.8
67.05511	5.2
69.03432	1.2
69.07077	9.6
71.08632	6.7
71.25433	1.0
71.25765	0.8
79.05499	3.4
79.49107	0.8
81.07056	9.2
82.75464	0.9
83.04987	32.1
83.08630	6.5
85.06524	1.2
85.10181	2.6
91.05481	5.2
93.07043	10.7
95.08627	8.9
97.06563	1.4
97.10187	3.4
99.08102	2.4
99.77488	0.8
105.07043	3.3
107.08597	4.7
109.06548	4.2
109.10197	4.6
111.08083	4.0
111.11717	1.3
117.06968	1.2
119.08614	2.6
121.06512	21.2
121.07383	1.3
121.10145	2.4
123.08072	3.5
123.11713	2.0
125.06011	1.7
125.13227	0.9
127.07564	9.2
131.08591	1.5
133.10152	2.3
135.08072	9.4
135.11673	2.1
137.05975	2.4
137.09625	5.1
139.07545	51.1
145.10150	2.3
147.08112	0.8
147.11659	1.1
149.02359	2.7
149.06087	0.9
149.09639	2.9
149.13289	1.1
151.07607	4.3
153.09145	4.7
159.11740	1.9
161.09666	1.1
161.13133	1.0
163.07556	8.4
163.11258	2.1
165.09169	3.3
167.07053	12.1
167.10683	1.6
169.08661	1.7
169.10318	0.7
173.09630	1.0
173.13258	2.3
175.11194	1.3
177.09154	1.4
177.12761	1.0
181.05043	1.0
181.08588	12.8
181.10031	1.2
181.12233	1.5
189.09114	1.1
191.10730	1.5
191.14299	1.2
195.10205	1.9
205.08617	1.3
205.12265	2.0
207.10135	1.3
209.11761	1.7
219.10284	0.9
237.14859	1.8
251.16486	2.4
265.17938	1.3
335.26022	1.5
377.30438	1.1
387.36316	1.6
405.37405	1.1
429.33383	1.3
447.38446	100.0
448.38824	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	447.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01868	6.7
55.05515	24.8
57.07079	52.2
63.92096	3.2
67.05508	19.8
69.07065	40.3
70.91513	4.6
70.91840	3.6
71.08631	31.4
75.02795	3.0
79.05481	10.6
81.07060	33.9
83.01341	3.9
83.04975	5.2
83.08632	32.7
85.10189	22.7
91.05479	12.6
93.07043	17.1
95.04941	3.7
95.08608	27.1
97.06557	3.4
97.10182	25.9
99.00833	5.8
99.04449	12.8
104.67719	3.1
105.07021	11.7
107.08607	21.2
109.06506	12.4
109.10172	29.6
111.04429	8.0
111.08104	5.4
111.11690	16.9
117.07053	3.9
119.08570	14.4
121.06500	12.2
121.10146	11.6
123.08046	8.5
123.11712	7.9
125.06017	10.1
125.13316	6.1
131.08560	7.9
132.50175	2.8
133.06416	4.8
133.10130	9.1
135.08038	11.4
135.11676	9.2
137.05991	71.1
137.07060	4.2
137.09601	12.7
139.03915	55.4
139.06523	5.1
139.07547	66.8
140.07814	3.4
141.06938	3.0
145.10104	11.5
147.11720	3.8
149.02393	7.6
149.09613	6.3
149.13193	7.0
151.07558	35.0
153.05519	15.8
153.09119	3.4
158.13298	3.5
159.11722	12.8
161.09714	3.3
163.03958	3.9
163.07617	3.9
163.11198	7.3
163.38530	2.8
165.09145	44.3
166.09535	4.9
167.07077	3.4
171.11656	4.8
173.13275	6.6
175.14745	5.3
177.09132	10.3
181.04973	100.0
181.08614	5.1
187.11142	7.5
187.14864	6.5
191.10684	17.5
205.12279	11.1
219.13864	7.4
365.81830	3.1
383.36893	7.8
401.37726	12.4
401.66098	3.2
405.37408	7.9
419.38736	12.8
429.37772	15.7
447.34512	10.7
447.38165	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	447.3837
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
55.01873	2.0
55.05513	12.1
57.07077	9.6
67.05496	4.4
69.03431	1.5
69.07073	7.3
69.26642	4.5
69.27067	5.0
71.08634	9.2
76.13604	1.0
79.05493	3.4
81.07053	5.9
83.01356	1.1
83.04984	42.9
83.08629	5.3
85.10182	4.6
89.25350	0.9
91.05475	5.5
93.07054	11.4
93.43005	0.9
95.04981	1.8
95.08622	5.0
97.06522	1.7
97.10172	3.1
98.21556	2.3
99.08102	1.3
105.07037	2.0
107.08599	5.9
107.98174	1.0
109.06523	3.7
109.10151	3.0
111.08096	5.3
121.06511	24.5
121.10154	1.5
123.08048	2.5
125.05996	1.2
127.07573	8.0
131.08546	1.0
133.10115	1.7
135.08066	10.1
135.11678	1.9
137.05988	1.9
137.09601	4.8
139.03888	2.9
139.07547	60.3
145.10091	1.2
149.02383	3.4
149.09639	3.2
152.08330	1.0
153.05492	1.5
153.09114	7.1
163.07532	12.3
163.11208	2.4
165.09117	3.5
167.10687	1.9
169.08679	1.5
177.09172	1.0
177.12790	1.9
179.07059	1.1
180.07820	5.9
181.05022	1.8
181.08606	15.7
181.12209	1.6
191.10599	1.2
195.10225	1.7
195.13663	1.2
203.10730	2.2
205.12276	1.2
223.13235	1.7
237.14867	1.4
251.16502	2.2
279.19788	1.1
293.21225	1.1
307.22641	1.4
321.24231	1.3
335.25711	1.4
429.37451	2.3
447.38367	100.0
448.38721	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	448.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
57.03428	0.6
64.71860	0.5
69.03428	1.1
70.06593	0.5
70.97015	1.0
72.08149	0.5
74.06084	0.7
74.09708	1.6
79.05493	1.9
81.03419	0.9
85.02908	3.4
86.09716	1.1
91.05819	0.6
96.04526	0.5
97.02902	0.9
97.79550	0.5
106.06560	100.0
107.04949	2.1
107.06893	1.5
118.06562	1.1
121.02859	1.1
124.07596	0.6
127.03928	1.1
130.06512	0.6
137.06015	0.5
137.09607	0.8
145.04944	0.6
147.04364	0.7
148.07564	1.0
160.83119	0.5
165.09122	6.3
167.05408	0.5
201.33235	0.4
213.07803	0.4
255.06482	0.7
268.11972	0.7
287.05612	3.4
299.05685	1.5
327.14511	2.2
329.06693	1.4
344.45605	0.4
353.06421	0.7
413.08328	0.6
431.09857	0.7
449.10690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01868	0.6
57.03437	0.8
61.02924	1.1
68.99809	0.8
69.03436	2.8
69.90888	1.6
71.05000	0.6
73.02925	0.4
81.03418	1.5
85.02908	8.9
87.04456	0.5
91.03942	0.4
93.28720	0.3
97.02898	3.2
99.04452	0.5
101.06813	0.3
107.04934	0.5
109.02842	0.9
111.00798	0.8
121.02866	2.8
127.03902	1.7
129.07094	0.4
131.20270	0.3
133.02855	0.5
137.02341	0.7
145.04970	1.4
147.04410	0.6
153.01823	5.1
157.06540	0.6
165.01825	2.5
171.04463	0.4
183.02892	0.7
185.05888	0.4
213.05452	1.8
231.06482	0.7
241.05016	0.9
258.05307	1.5
259.06232	0.5
267.48422	0.3
286.04819	0.4
287.05515	100.0
288.05859	2.3
299.05511	1.5
329.06583	1.2
353.06354	0.7
413.08630	0.5
431.09601	0.4
449.10718	0.6
468.45667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03935	0.2
54.66994	0.1
68.99796	0.7
69.03430	0.4
69.33654	1.4
70.06603	1.1
73.02913	0.2
79.05492	0.3
84.08138	0.4
85.02891	0.6
86.09685	0.5
91.05466	0.3
105.03402	0.4
107.04969	2.1
109.02888	0.5
110.49194	0.2
111.00793	0.7
111.04459	0.2
119.04924	0.2
121.02885	2.8
127.03902	0.3
133.02875	0.6
133.99086	0.2
137.02324	1.0
137.05960	0.7
139.03868	0.2
145.06470	0.3
147.04407	0.4
149.05948	0.3
151.03912	0.8
153.01836	4.6
157.06467	0.4
161.05974	0.5
165.01845	2.2
171.03094	0.2
171.04454	0.2
172.14740	0.2
183.02896	0.9
185.06020	0.5
204.09409	0.2
210.54884	0.2
213.05489	1.6
231.06520	0.8
241.04987	0.8
255.06543	0.3
258.05310	1.1
259.05972	0.5
269.04520	0.3
275.58289	0.2
287.05508	100.0
288.05820	2.4
299.05453	0.7
300.06445	0.2
329.06628	0.6
341.87698	0.2
383.07660	0.2
413.08340	0.3
449.10559	0.9
449.15982	0.2
461.69144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Orientin
Peak:m/z	Relative Intensity
61.02927	1.2
62.91963	1.0
67.32739	1.0
68.99793	1.8
85.02921	1.6
98.20745	3.4
104.79500	1.2
109.02921	2.1
110.27103	1.2
115.24118	1.0
121.02837	2.5
123.00831	1.6
135.04436	4.7
137.02339	7.8
141.01825	1.3
149.02359	3.4
161.02376	3.8
163.03920	4.4
165.01855	20.8
166.30461	1.2
167.03421	3.4
177.01865	3.3
179.03375	1.5
183.02899	2.8
187.03981	1.7
195.02972	1.5
203.03337	1.7
255.06586	2.0
257.04437	1.1
283.06097	7.2
286.04770	3.9
287.05524	12.5
295.05905	1.6
297.07648	8.7
299.05524	100.0
300.06195	12.2
301.06927	1.5
311.05545	13.6
311.08954	2.2
313.07025	4.5
321.07541	3.1
323.05560	2.1
324.06210	2.3
325.03537	1.8
325.07071	23.7
329.06577	81.6
330.06711	2.0
337.07126	2.6
339.08707	18.9
349.07126	4.4
353.06598	44.2
365.06512	11.1
367.08264	3.2
377.06616	8.3
383.07620	22.5
384.07608	1.5
395.07614	21.8
413.08749	22.9
431.09647	13.1
449.10782	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03934	0.7
55.01879	0.8
56.10841	0.3
57.03427	0.9
60.81391	0.3
61.02930	1.8
68.99764	0.5
69.03436	3.4
69.97394	1.0
69.97810	0.7
71.05014	0.5
73.02933	0.6
78.66794	0.3
81.03433	2.0
85.02908	9.0
91.03959	0.5
97.02904	2.7
99.04456	0.7
100.91104	0.3
105.03370	0.4
106.07694	0.3
107.04967	0.6
109.02863	1.1
111.00800	0.4
114.34193	0.3
121.02865	3.4
123.61179	0.4
127.03928	1.8
133.02844	0.5
137.02324	0.8
145.04959	1.3
147.04422	0.6
149.13194	0.4
153.01834	5.9
157.06511	1.1
165.01903	2.0
171.04439	0.5
180.69952	0.3
183.02925	1.1
185.06000	0.8
205.29890	0.3
211.68471	0.3
213.05461	2.0
231.06448	0.6
241.04915	0.8
247.40659	0.3
258.05377	1.6
259.05948	0.6
287.05515	100.0
288.05820	2.5
299.05420	0.4
329.06824	0.5
343.63409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24397	0.6
61.02929	5.2
69.03421	1.4
69.31452	4.8
69.31873	1.1
71.98876	0.5
73.02917	1.4
73.96181	0.5
85.02905	5.7
85.66496	0.5
91.03949	2.5
97.02883	2.6
111.00828	0.9
121.02908	3.3
127.03935	0.8
137.02330	1.0
147.39140	0.6
153.01842	5.1
165.01834	2.7
195.82632	0.6
213.05522	2.0
231.06345	0.8
232.87874	0.6
241.04947	0.9
253.56418	0.7
258.05280	1.2
264.42624	0.6
269.04593	0.8
287.05527	100.0
288.05847	3.0
299.05676	0.7
302.52066	0.6
369.22662	0.6
416.05731	0.6
449.17715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
61.02918	1.2
61.67309	0.5
62.83749	0.5
64.82471	0.5
68.99777	1.1
69.03428	2.8
69.68066	3.5
80.30987	0.6
81.03407	1.8
83.08594	0.6
85.02905	9.5
91.03939	0.7
97.02905	2.9
99.04409	0.8
106.08603	0.6
109.02901	0.9
121.02884	3.0
127.03888	1.2
133.02859	0.6
137.02365	0.6
145.04951	0.9
147.04437	0.7
148.68948	0.6
153.01820	5.2
162.90268	0.6
165.01797	1.8
185.05893	0.6
213.05460	2.1
222.03685	0.6
241.04903	0.7
258.05341	0.8
259.05823	1.1
287.05508	100.0
288.05792	3.2
373.13940	0.7
461.41025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	8-C-beta-D-Glucopyranosylkaempferol
Peak:m/z	Relative Intensity
55.01866	1.7
61.02919	0.8
68.99778	1.3
70.89011	1.8
70.89347	0.9
72.22565	0.7
76.81581	0.8
79.01862	4.4
81.03409	2.2
85.02900	3.8
97.02861	1.2
109.02901	1.8
121.02876	2.0
124.66985	0.9
135.04451	2.9
136.05246	1.6
137.02351	20.9
137.03358	1.3
147.04398	1.4
149.02328	0.8
153.01842	1.9
158.39709	0.8
161.02377	3.6
163.03961	1.7
165.01805	6.6
167.03427	0.9
176.04820	0.7
179.03462	1.0
183.02884	2.1
187.03961	1.3
191.03362	1.3
213.05475	1.6
217.04938	5.2
219.02979	1.0
226.06273	1.0
227.06972	1.9
229.05058	3.8
241.05008	1.6
243.02902	3.4
243.06737	1.2
243.38713	1.1
244.07324	2.1
259.06116	5.3
261.04007	2.7
271.06049	8.0
272.06796	10.1
281.04446	1.2
283.05945	1.7
284.06821	1.1
286.04843	1.1
287.05521	33.5
295.06073	2.2
296.06845	0.9
297.07800	1.2
299.05511	88.0
300.06247	41.8
300.09766	1.0
301.07077	2.8
311.05515	18.1
313.07040	22.1
323.05515	1.8
324.06299	4.5
325.07056	7.6
327.05084	3.2
327.08600	1.0
329.06555	100.0
330.06946	2.3
337.07358	1.3
339.05032	2.0
339.08640	19.9
341.06467	6.6
343.08273	1.9
353.06589	24.4
359.07788	6.5
365.06818	2.0
367.08163	5.0
371.07773	1.7
377.06580	1.9
383.02548	1.3
383.07581	19.7
395.07678	12.6
413.08710	36.6
431.09763	51.5
432.10260	1.5
449.10815	83.1
450.11282	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	449.1083
Annotation	2'-Hydroxygenistein 4'-O-glucoside
Peak:m/z	Relative Intensity
51.02408	0.9
53.03940	1.7
55.01870	2.5
56.05038	0.8
57.03452	0.7
61.01161	0.6
68.99804	2.7
69.03443	0.9
69.92857	0.6
70.06599	4.2
70.84991	0.9
70.85310	1.0
71.01379	0.8
72.08163	6.3
79.05492	2.2
81.03412	1.0
83.01347	1.2
83.27926	0.5
84.08151	1.9
85.02921	1.9
86.09713	1.4
90.61203	0.6
90.62665	0.6
91.05485	1.2
95.01352	1.3
95.04983	1.9
97.02901	1.0
104.05333	1.4
105.04530	0.9
107.04964	100.0
108.05302	0.8
110.07195	0.7
111.00829	1.4
117.18131	0.6
119.04946	8.9
120.08097	0.6
121.02859	6.7
123.04453	3.3
129.10254	1.5
131.04956	1.1
133.02878	0.9
133.06509	1.3
135.04445	1.3
137.02380	1.3
137.06036	1.2
139.03899	7.8
145.06477	1.4
147.04408	8.0
149.02350	2.2
149.05946	0.8
151.03931	6.3
153.01842	5.1
157.06516	2.2
158.10030	2.1
159.04492	0.7
161.06099	1.3
163.03941	4.0
165.01868	4.5
167.03430	2.6
171.04428	1.8
175.03958	0.9
177.01820	4.0
177.05551	0.7
179.03401	8.3
181.06494	1.0
183.02977	1.5
185.05968	1.0
189.05536	0.8
191.03392	6.0
195.02936	2.8
203.03462	3.6
203.12146	3.6
205.01398	2.6
205.05014	2.0
207.02985	1.0
211.07550	0.8
213.05533	1.5
217.05035	1.7
219.02939	5.6
219.06471	0.7
219.13409	1.7
221.04385	1.3
223.02402	8.5
227.07114	1.4
229.05014	1.7
231.02879	1.4
231.06570	1.5
231.11676	2.7
233.04445	2.3
235.02269	1.0
237.05603	1.0
239.07077	1.7
241.04958	1.7
245.04620	1.4
249.04031	0.9
255.06544	44.2
256.07315	14.6
257.08084	2.2
258.05328	1.2
259.02335	1.1
261.03827	3.0
267.06586	1.0
271.05984	0.8
273.07489	3.9
279.04965	11.0
283.05911	0.7
287.05533	87.7
288.05865	1.4
295.05933	2.0
297.05951	5.2
299.05557	4.7
300.06351	1.1
307.04633	2.1
311.05527	0.7
313.07086	0.9
319.04480	3.0
321.07599	0.8
323.05496	0.8
325.05518	11.8
329.06299	3.2
337.05511	4.4
339.08655	0.8
351.08972	0.8
353.06586	1.8
377.06732	0.9
395.07776	2.3
403.10428	0.8
413.08707	4.9
431.09448	3.2
432.74640	0.7
449.10779	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	449.1426
Annotation	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
52.12448	1.7
56.96567	2.0
68.91889	1.8
69.03439	2.7
69.07060	1.9
70.06602	3.7
71.50531	1.8
72.08167	2.4
74.06071	2.4
74.27625	1.5
83.01371	1.9
83.20201	1.9
84.04484	2.9
84.08138	2.3
85.02926	5.1
86.09716	17.4
89.45344	1.9
90.25071	1.6
91.05492	2.0
95.05000	2.7
98.97591	4.2
103.92133	1.7
107.04965	29.4
119.04963	4.2
121.02892	17.2
122.06031	2.0
123.04514	2.2
133.03052	2.2
135.44498	1.9
137.06017	2.2
139.03970	1.9
147.04460	5.2
149.05962	2.2
151.03926	16.1
153.00719	1.7
153.01903	5.2
173.12881	2.3
179.03354	2.2
227.07178	1.9
228.93324	2.0
255.06636	6.8
261.14703	2.5
279.05194	3.7
283.05988	2.9
286.04993	2.0
287.05569	84.3
287.09109	9.4
288.06110	2.3
299.05490	18.5
300.06427	2.8
301.07202	2.2
311.05630	5.7
313.07129	2.2
329.06650	14.4
353.06650	4.0
383.07956	2.3
394.87817	2.1
395.08014	3.1
400.93015	2.0
413.08856	6.3
431.09827	5.0
449.14423	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.1
57.03445	13.3
59.04993	2.6
61.02931	3.0
67.05507	2.9
69.03436	21.5
69.07072	2.5
70.06599	2.0
70.07569	1.5
70.81681	4.9
71.04604	3.8
71.05000	78.1
73.02927	3.1
75.04486	4.1
79.05508	3.9
81.03433	5.6
81.07063	5.9
83.04982	5.6
85.02912	100.0
87.04483	4.6
91.05478	3.3
93.07054	6.1
95.08617	6.0
97.02913	4.2
97.06534	2.0
98.21128	2.5
99.04495	2.2
105.07037	5.0
106.66862	1.8
107.04968	4.6
107.08611	3.3
109.02869	3.7
109.10139	3.6
111.04453	7.1
111.15890	1.9
119.08591	4.5
121.02914	2.5
121.06538	2.5
121.10165	3.7
127.03960	2.5
129.05495	24.4
131.08595	3.2
133.10133	4.0
135.11716	1.9
137.06027	3.3
143.08575	2.6
145.10103	4.5
147.06532	2.7
147.11711	3.3
153.01862	3.3
160.15974	1.9
161.05920	2.2
171.11655	2.5
173.06012	2.0
175.14783	1.7
176.04695	2.9
177.60966	1.8
181.06461	2.1
183.07993	4.2
185.79507	2.4
191.07118	2.2
193.06512	2.1
195.08150	1.9
201.05414	2.2
201.16435	2.2
211.07610	10.8
213.05435	3.0
223.07648	2.8
225.05577	2.8
225.09079	5.0
227.07083	4.0
229.08569	3.3
239.07129	7.2
241.04956	2.6
241.08585	5.1
251.07260	2.8
253.08687	6.1
254.09447	4.0
255.06485	2.1
255.10330	2.1
257.08112	12.6
257.11401	1.8
264.07800	2.6
266.09348	3.0
267.10217	3.4
269.08237	4.9
269.22668	4.3
270.08844	4.6
271.07089	1.9
271.09662	10.3
272.10446	76.8
273.07678	4.3
273.10965	2.7
281.08118	4.1
281.11505	1.9
285.08435	1.8
285.11102	8.5
286.12006	2.1
287.05539	46.3
287.08862	3.2
287.12625	3.2
288.09930	12.8
295.09778	3.5
296.10431	13.0
297.07736	2.5
299.05527	11.4
299.08603	2.0
301.10895	4.7
303.12283	91.2
304.12793	2.6
309.11481	2.7
312.09796	4.0
314.11557	16.5
315.12286	11.4
321.11224	7.6
325.10663	4.0
327.12302	9.4
329.06345	3.7
330.11127	2.1
337.10724	2.4
338.11417	3.2
339.12405	3.6
345.13354	11.9
351.12253	2.7
364.12958	3.8
369.13422	10.4
395.14957	13.1
449.11691	2.5
449.16891	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22668	0.4
53.03943	0.6
55.05503	2.2
57.07077	3.0
60.82984	0.4
67.05493	1.8
69.07063	3.6
69.36897	3.2
69.37299	1.2
71.08635	2.1
72.08152	1.3
79.05493	1.2
81.07051	3.6
83.08624	1.9
85.10186	1.1
88.11286	0.9
89.06042	0.7
91.05486	1.3
93.07039	1.9
95.04981	0.9
95.08623	3.3
97.10143	1.4
98.11204	0.5
105.07027	2.1
105.07719	0.6
107.08582	2.7
109.06511	0.9
109.10167	2.1
111.08095	1.3
111.11715	0.8
113.00007	0.8
113.06034	0.6
119.08582	2.0
121.10172	3.0
122.08142	0.6
123.08091	2.1
123.11757	0.9
133.08597	0.8
133.10132	1.9
135.08025	0.9
135.11708	1.1
137.06007	0.8
137.09616	2.2
143.08626	0.5
145.10136	1.4
147.11710	1.2
149.13222	0.7
153.09103	2.1
159.11719	1.0
163.11188	0.5
165.09094	2.6
166.20534	0.5
167.10713	0.6
173.13235	1.1
177.12888	0.6
183.06508	0.7
189.12880	0.7
194.15681	0.6
203.18013	0.7
287.05527	3.1
305.17224	0.5
369.29703	2.3
386.65182	0.6
413.37991	0.8
431.39221	4.0
449.33911	100.0
450.34229	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.05512	18.2
57.03426	4.6
57.06829	2.8
57.07080	25.8
59.98310	1.6
62.83227	1.8
67.05511	14.0
68.29282	1.7
69.07071	34.4
71.07140	1.6
71.08636	18.2
71.18575	2.9
71.82323	1.7
79.05480	12.0
81.07060	28.5
83.01337	3.1
83.04948	2.0
83.08617	21.2
85.02888	2.1
85.06574	1.9
85.10178	8.7
86.09715	2.3
91.05482	11.6
93.07051	15.4
95.04962	2.5
95.08620	24.0
97.06526	5.1
97.10175	11.3
99.04467	5.2
105.07039	16.9
107.08597	17.3
109.06522	7.8
109.10166	14.1
111.04437	2.1
111.08076	3.3
111.11716	7.1
117.07030	3.7
119.08609	12.1
121.06517	4.1
121.10191	9.1
123.04446	5.0
123.08073	7.4
123.11723	7.6
125.05985	15.8
129.06972	1.7
131.08574	6.7
133.10150	9.9
135.08067	3.6
135.11708	5.7
137.05974	13.9
137.09605	4.2
137.13300	5.0
139.07550	4.9
145.10133	7.3
147.08054	3.8
147.11667	8.3
149.09651	4.1
149.13242	5.4
151.07539	7.1
151.14867	1.7
157.10185	2.7
159.11691	5.5
161.09665	3.5
161.13263	3.6
163.14865	3.9
165.09076	12.0
167.10652	3.4
171.11708	2.1
173.13246	5.6
175.11182	4.4
175.14857	2.3
179.10692	8.2
187.14804	3.5
189.12820	4.6
189.16376	2.6
191.10609	1.8
191.78003	1.7
193.12210	5.5
203.14377	1.8
203.17981	2.0
207.13829	5.1
209.11678	1.8
219.17477	3.8
220.17784	2.1
221.15201	2.0
230.24765	3.6
231.25128	2.3
233.15358	5.7
235.13315	2.2
235.16916	3.3
249.14799	2.5
249.18486	2.4
263.20120	2.6
277.18069	3.0
287.05524	6.1
298.06992	1.7
313.28928	1.9
331.29932	3.6
341.28265	2.0
353.31604	2.0
359.29257	6.2
371.33148	7.8
389.34146	100.0
390.34485	3.2
413.34222	3.8
431.34900	9.0
449.36047	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	449.3628
Annotation	Numersterol A
Peak:m/z	Relative Intensity
55.01867	2.8
55.05514	28.3
55.06774	2.5
57.07081	44.1
67.05508	19.5
67.51479	2.5
68.99784	3.2
69.07075	41.5
69.48028	18.7
71.08642	30.8
79.05502	13.3
81.07056	31.1
83.08621	27.3
85.06498	2.8
85.10191	15.8
91.05482	10.0
93.07054	13.2
95.04985	6.8
95.08618	37.8
97.06557	3.3
97.10171	15.3
99.04459	39.6
105.07024	20.6
107.08611	15.2
109.06521	15.6
109.10155	17.8
111.04451	26.3
111.11744	8.5
113.05999	16.4
117.07043	2.4
119.08585	11.5
121.06525	6.6
121.10152	6.2
123.08085	11.4
123.11671	6.7
124.72454	2.3
125.05997	74.4
133.10138	10.6
135.04422	4.2
135.08073	6.9
135.11690	5.5
137.05998	13.2
137.09653	5.5
137.13274	4.6
138.15685	2.4
139.07516	2.9
143.08546	3.5
145.06560	2.7
145.10132	3.9
146.81442	2.3
147.11696	11.1
149.05997	3.6
151.03922	7.1
151.07593	11.2
153.05469	9.5
153.09100	3.3
159.11627	3.0
161.09703	3.5
161.13208	4.5
163.07552	21.5
165.05534	10.7
165.09119	5.0
167.07097	5.1
169.05058	5.0
175.11218	7.9
175.14931	3.6
177.09142	6.5
177.12944	2.1
178.09888	2.5
179.10635	4.6
183.06505	14.9
189.12720	3.2
191.10712	8.0
193.12253	4.8
205.12306	3.5
207.10023	3.5
207.13806	3.1
217.12303	2.8
235.13448	4.1
249.18851	2.8
289.21619	3.2
301.28885	13.2
302.12167	2.6
319.29956	10.5
333.31586	5.6
359.29410	4.2
362.29977	3.0
368.46960	3.0
371.33331	2.7
385.34619	7.0
389.34195	8.6
403.35733	100.0
404.36188	4.0
413.34195	18.1
431.35193	77.9
449.36319	82.3
450.36337	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	449.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.05513	28.5
57.07079	11.6
67.05506	39.4
69.03464	2.8
69.07071	35.8
69.15528	35.9
71.08634	7.7
79.05501	23.5
81.07067	99.6
83.04974	5.1
83.08624	13.3
84.08118	3.4
85.06565	20.2
85.10179	3.5
91.05488	28.2
93.07052	65.8
95.04984	4.9
95.08615	71.9
97.10164	13.6
99.04452	4.5
105.07044	48.2
107.08600	55.2
109.06457	6.7
109.10165	46.0
111.08086	8.1
111.11703	5.4
117.07020	8.5
119.08604	62.3
121.10153	42.4
123.08118	4.2
123.11709	22.0
125.06022	3.9
125.09602	4.1
129.07019	5.4
131.08611	18.6
133.10156	37.4
135.11673	22.0
137.06006	7.2
137.13324	3.8
139.07558	3.2
143.08597	12.5
144.09334	4.1
145.10118	33.9
147.11705	27.5
149.09595	3.9
149.13292	26.4
151.07558	4.2
155.08510	4.6
157.10196	15.7
159.11734	33.3
161.13217	20.6
163.14844	10.3
167.07098	4.9
169.10141	8.5
171.11803	18.4
173.13280	22.4
175.14819	13.3
177.16345	5.9
183.11620	5.1
183.14958	6.8
185.13284	11.9
187.14841	20.5
189.16362	10.3
191.17909	3.5
195.11850	3.8
197.13222	5.2
199.14862	9.7
201.16452	8.7
203.17928	8.1
209.13199	4.4
211.14842	9.8
213.16434	12.3
215.17973	11.3
217.19576	5.1
225.16391	5.8
227.17914	9.7
229.19533	4.8
239.18045	4.9
241.19533	6.8
255.21135	4.7
267.21265	5.4
287.05640	4.4
289.67746	3.3
403.36057	5.3
431.36530	16.0
447.42999	3.8
449.31534	7.3
449.37753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.05513	19.1
57.07079	27.1
67.05507	29.9
69.07072	26.6
71.08633	15.4
79.05495	23.7
81.07061	76.6
83.08614	12.0
85.06557	15.5
85.10180	12.3
89.06040	48.1
91.05483	23.4
93.07050	54.0
95.04958	3.5
95.08611	57.9
97.10177	10.3
99.08110	3.8
105.07038	39.8
107.08592	44.7
109.06518	3.0
109.10157	35.9
110.22524	3.2
111.08064	6.4
111.11745	5.8
116.86536	2.6
117.07017	6.0
119.08586	44.3
121.10135	33.7
123.11724	13.3
129.06952	4.7
131.08557	17.3
133.08617	22.1
133.10132	25.6
135.11673	22.7
137.13266	4.8
143.08582	9.9
145.10161	28.2
147.11708	24.8
149.13274	19.5
151.11191	2.7
155.08496	3.0
157.10135	15.1
159.11690	35.5
161.13272	19.6
163.14803	9.8
169.10059	5.1
171.11775	8.6
173.13242	18.9
175.14847	10.8
177.11266	3.9
183.11765	8.8
185.13318	8.8
187.14862	10.0
189.16444	8.5
195.11697	3.3
197.13280	7.4
199.14859	10.2
201.16429	8.5
203.17949	5.6
206.09409	3.0
211.14832	7.3
213.16426	5.8
215.17886	7.0
217.19624	5.0
225.16396	5.6
227.18033	6.0
229.15868	3.4
239.15021	3.7
241.19412	3.5
243.21159	3.5
253.19463	4.7
257.22641	5.4
295.24124	4.4
351.30542	5.9
365.64105	3.2
431.36789	23.7
449.37845	100.0
450.38058	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	449.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01851	4.1
55.05514	18.6
57.07066	7.6
67.05193	2.2
67.05514	35.5
69.07074	25.3
70.65791	1.8
71.05002	2.4
71.08620	5.1
71.43484	1.9
71.51668	3.6
79.05486	29.9
81.07061	100.0
83.04971	1.9
83.08623	11.8
85.06551	15.4
87.56600	1.9
89.06033	2.4
91.05486	28.4
93.07050	63.0
95.04966	6.3
95.08617	77.8
97.06570	4.3
97.10192	7.3
105.04529	2.8
105.07034	44.2
107.08601	58.8
107.09312	4.0
109.06541	3.7
109.10169	46.1
111.08110	5.4
111.11715	2.4
117.07039	5.1
119.08587	52.1
121.09332	3.1
121.10153	40.8
123.08067	4.1
123.11722	17.5
125.09641	2.9
129.07028	5.0
130.07802	2.8
131.08600	21.0
133.10126	28.4
133.61845	2.0
134.70085	2.1
135.11699	21.6
137.13268	5.5
138.47037	2.2
143.08562	11.1
145.10161	27.1
147.11694	23.1
149.13254	19.9
155.08574	3.1
156.09375	4.0
157.10143	22.0
158.10938	2.6
159.11685	34.5
161.13234	21.9
163.14880	9.1
169.10132	8.3
170.10992	2.8
171.11685	15.9
173.13271	22.1
175.14827	13.6
177.16418	3.3
181.10188	2.6
182.10988	2.3
183.11713	8.2
185.13263	11.6
187.14842	12.5
189.16389	10.3
195.11800	3.3
197.13307	7.7
199.14821	14.9
201.16403	10.7
203.17941	7.2
209.13225	2.9
211.14824	5.1
213.16386	9.5
215.17989	8.1
217.19458	3.4
225.16400	4.9
227.18024	5.9
229.19530	4.8
231.21269	2.1
237.16330	2.6
239.17953	4.7
241.19601	5.9
243.21194	3.9
251.18126	2.4
253.19492	5.9
255.20866	3.0
269.22656	3.3
281.22638	2.1
287.05472	11.2
293.22852	2.5
299.05295	2.4
309.25964	2.8
431.36771	21.8
449.37860	87.4
450.38190	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	449.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	4.3
55.01853	5.6
55.05516	15.0
56.11126	2.7
56.31481	2.7
57.07046	9.3
59.54811	2.6
67.05505	28.2
69.07076	18.3
69.46171	18.8
71.08608	4.2
79.05489	17.6
81.07062	64.4
83.08578	10.8
85.06541	20.7
85.10152	4.1
91.05484	28.4
93.07048	65.5
95.04926	4.0
95.08613	57.8
97.06543	3.1
97.10147	5.9
98.20776	5.9
99.00775	6.2
100.01069	2.7
104.88420	2.6
105.06423	2.9
105.07032	39.3
107.08609	43.0
109.10169	31.4
111.08073	5.6
111.11636	2.9
113.02347	2.6
114.82805	2.5
116.79127	2.4
117.06956	9.3
119.08595	39.0
121.10159	24.5
123.11729	13.0
126.57031	2.3
131.08563	17.9
133.10104	23.3
134.01338	2.5
135.11678	23.6
143.08479	11.1
145.10136	24.9
147.11707	21.3
149.13258	18.4
155.08566	3.8
156.09212	3.4
157.10121	12.3
159.11690	25.7
161.13261	15.9
163.14766	9.4
169.10057	6.1
171.11661	14.0
173.13327	19.1
175.11128	3.6
175.14738	10.1
177.16373	2.5
181.04851	6.6
181.10028	3.4
182.05284	7.2
183.05341	4.3
183.11606	8.6
185.13130	9.9
187.14914	15.3
189.16309	8.7
195.06532	11.9
196.06918	13.7
197.06923	9.4
197.13226	5.5
198.13916	2.5
199.14732	9.8
201.16313	8.0
203.17836	5.4
209.07985	5.8
210.08307	6.9
211.08568	4.5
211.14717	7.2
213.16241	8.4
215.17863	9.8
217.19496	3.5
223.09576	3.5
224.09956	5.2
225.10138	5.8
225.16313	3.7
227.17839	7.2
229.19449	7.3
238.11395	4.5
239.11781	2.6
239.17688	2.8
241.19423	2.9
252.13208	4.8
253.19308	4.9
255.21002	3.6
257.22470	2.6
266.14517	3.3
269.22437	3.3
281.22415	5.5
283.23953	3.4
287.05478	15.9
295.24036	3.8
295.96594	2.9
349.28619	5.1
387.85904	2.9
391.33167	3.2
431.36334	10.0
449.35828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3991
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
52.14129	1.8
55.05508	20.1
57.07079	17.6
59.27211	1.9
59.34447	1.6
67.05508	9.0
69.07076	21.4
69.56287	10.9
71.08646	11.6
79.05497	4.2
81.07065	16.2
83.08626	22.3
85.10167	5.8
91.05489	8.8
93.07047	10.9
95.01374	2.0
95.04971	4.4
95.08626	17.2
97.10169	19.0
105.07033	5.4
107.08595	6.8
108.73116	1.7
109.06515	6.3
109.10149	16.1
111.08091	8.6
111.11738	4.9
119.08590	18.6
121.06489	6.6
121.10153	7.1
123.04423	9.8
123.08085	5.0
123.11713	7.5
123.97027	1.7
124.33242	1.8
125.06052	1.7
125.09618	3.8
125.13298	1.8
133.10135	4.5
135.11734	8.9
137.05986	2.2
137.09619	15.2
137.13269	4.3
139.07541	36.4
147.08078	3.2
147.11723	2.3
149.13170	2.5
151.11192	11.0
159.11653	2.3
159.29846	2.2
161.13222	2.7
163.11209	1.7
165.09109	7.5
165.12782	9.8
175.14876	4.6
179.10776	4.4
179.14308	7.1
189.16423	3.2
193.15906	5.1
207.17455	2.9
221.19049	3.9
232.18620	1.7
256.22192	1.7
314.76932	1.7
347.29559	4.9
358.31668	1.9
403.39435	30.7
431.38885	100.0
432.39120	3.7
449.39926	93.0
450.40237	2.7
460.23724	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3992
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
50.34150	2.6
55.05510	21.2
57.07087	17.8
64.36927	2.4
67.05495	11.7
67.66172	2.5
69.07075	23.5
71.08630	11.4
71.51434	2.8
79.05489	4.4
81.07057	17.8
83.04990	3.2
83.08616	17.6
85.10171	6.0
91.05481	5.6
93.07059	11.0
95.04984	3.8
95.08617	19.5
97.10186	22.6
105.07030	5.7
107.08616	7.2
109.06506	4.0
109.10184	16.3
109.56055	2.4
111.08070	12.3
111.11722	4.1
119.08610	17.5
121.06551	4.2
121.10172	6.7
123.04453	8.9
123.08060	6.1
123.11713	6.5
125.06017	4.0
133.10144	6.7
135.11696	5.0
137.05991	4.5
137.09637	17.2
139.07544	34.6
147.11745	3.8
149.13260	3.6
151.11191	7.4
163.19551	2.5
165.09164	10.7
165.12848	4.5
175.14822	2.7
179.14359	5.6
183.10136	4.6
193.15852	5.0
258.61920	2.5
276.43539	3.1
287.25195	2.9
347.29349	6.3
403.39423	27.5
431.38934	90.0
449.39969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
53.45600	0.3
54.71678	0.3
55.01856	1.0
57.03435	0.6
61.02936	0.5
68.99796	0.7
69.03426	2.1
70.06601	0.7
71.04993	1.0
71.50361	0.5
73.02915	0.6
78.04710	2.4
79.05480	0.9
81.03413	2.6
81.07068	0.3
84.08137	0.5
85.02907	6.2
86.09689	0.5
87.00826	2.4
95.04960	0.4
96.05769	0.4
97.02904	2.9
99.04466	1.9
100.13914	0.3
105.01856	1.8
106.04175	1.3
106.06583	0.4
107.04959	4.0
108.04472	1.5
108.05270	1.2
109.02876	2.5
109.06477	0.3
111.00843	0.3
117.01781	0.3
121.02838	0.7
123.04440	5.0
124.05212	1.5
126.05517	0.9
127.03914	3.4
129.01814	0.3
129.10202	0.5
133.02789	0.5
134.03661	0.4
137.02419	0.3
137.05969	0.9
145.04927	1.2
147.04448	0.5
151.03935	1.1
151.07491	0.3
152.04659	1.0
153.01839	0.5
154.02223	0.4
159.02908	1.3
165.01813	0.5
167.07042	100.0
168.07397	1.1
172.06146	0.4
214.05855	0.4
230.06715	0.5
231.05055	0.6
245.07655	0.3
248.07721	1.0
255.06543	0.5
256.06955	0.9
273.13571	0.3
285.11304	0.3
287.05548	5.9
288.05838	12.4
289.06482	0.3
397.42020	0.3
454.88522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44983	0.9
55.01868	1.2
56.59813	0.9
57.03441	2.8
62.62089	1.2
63.59617	0.9
65.03933	2.9
68.99784	8.4
69.03433	2.5
70.06583	3.3
71.50420	0.9
72.08150	4.0
73.02904	1.2
74.16527	0.9
78.89561	0.8
79.05473	1.9
79.32209	0.9
81.03373	1.4
83.04978	0.9
83.61671	1.0
84.08122	1.6
85.02905	8.2
86.09710	6.2
91.05485	2.7
95.04937	2.8
97.02898	2.8
100.35696	0.9
103.03928	1.7
107.04967	2.2
109.02884	2.5
119.04930	3.1
120.08083	3.2
121.02876	100.0
123.04426	4.3
125.06002	1.5
135.04446	1.5
136.07617	6.9
137.06026	5.5
139.03893	6.0
145.04886	0.9
147.04414	1.8
148.07568	7.8
149.02371	1.5
149.06012	0.9
151.03871	5.0
153.01843	9.1
153.05403	1.5
161.05966	1.0
163.03928	24.3
165.01836	14.9
166.65163	1.2
167.07091	1.3
169.05067	1.2
175.10765	1.0
176.07071	1.7
177.01830	8.7
177.05479	1.7
179.03333	1.0
179.07133	1.2
181.04968	3.1
183.02925	3.0
185.08107	1.5
186.08568	1.0
187.03867	1.2
191.03401	8.6
193.05014	6.1
195.02899	18.5
204.65860	1.0
205.04984	10.5
215.31734	1.1
217.04944	2.4
219.02911	19.6
225.07486	1.2
231.02907	4.5
235.05992	1.5
243.02881	1.3
249.03992	6.0
249.16005	1.9
253.07065	1.4
261.03955	7.4
277.15454	1.3
278.10211	1.6
279.04968	3.7
280.11810	2.6
283.06100	8.6
287.05371	3.3
288.05820	3.6
289.06116	8.1
295.06085	6.8
296.11142	1.4
297.06018	11.9
301.07062	1.3
305.20172	1.0
313.03650	2.4
313.07025	13.8
331.07950	2.1
337.07117	3.4
355.08014	3.3
367.08167	6.8
379.07947	1.7
393.21042	2.0
397.09094	3.3
415.10159	5.2
415.15024	1.2
419.13351	1.0
433.11151	2.2
451.21762	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44983	0.9
55.01868	1.2
56.59813	0.9
57.03441	2.8
62.62089	1.2
63.59617	0.9
65.03933	2.9
68.99784	8.4
69.03433	2.5
70.06583	3.3
71.50420	0.9
72.08150	4.0
73.02904	1.2
74.16527	0.9
78.89561	0.8
79.05473	1.9
79.32209	0.9
81.03373	1.4
83.04978	0.9
83.61671	1.0
84.08122	1.6
85.02905	8.2
86.09710	6.2
91.05485	2.7
95.04937	2.8
97.02898	2.8
100.35696	0.9
103.03928	1.7
107.04967	2.2
109.02884	2.5
119.04930	3.1
120.08083	3.2
121.02876	100.0
123.04426	4.3
125.06002	1.5
135.04446	1.5
136.07617	6.9
137.06026	5.5
139.03893	6.0
145.04886	0.9
147.04414	1.8
148.07568	7.8
149.02371	1.5
149.06012	0.9
151.03871	5.0
153.01843	9.1
153.05403	1.5
161.05966	1.0
163.03928	24.3
165.01836	14.9
166.65163	1.2
167.07091	1.3
169.05067	1.2
175.10765	1.0
176.07071	1.7
177.01830	8.7
177.05479	1.7
179.03333	1.0
179.07133	1.2
181.04968	3.1
183.02925	3.0
185.08107	1.5
186.08568	1.0
187.03867	1.2
191.03401	8.6
193.05014	6.1
195.02899	18.5
204.65860	1.0
205.04984	10.5
215.31734	1.1
217.04944	2.4
219.02911	19.6
225.07486	1.2
231.02907	4.5
235.05992	1.5
243.02881	1.3
249.03992	6.0
249.16005	1.9
253.07065	1.4
261.03955	7.4
277.15454	1.3
278.10211	1.6
279.04968	3.7
280.11810	2.6
283.06100	8.6
287.05371	3.3
288.05820	3.6
289.06116	8.1
295.06085	6.8
296.11142	1.4
297.06018	11.9
301.07062	1.3
305.20172	1.0
313.03650	2.4
313.07025	13.8
331.07950	2.1
337.07117	3.4
355.08014	3.3
367.08167	6.8
379.07947	1.7
393.21042	2.0
397.09094	3.3
415.10159	5.2
415.15024	1.2
419.13351	1.0
433.11151	2.2
451.21762	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01865	0.6
56.96545	0.5
57.03427	0.7
61.02924	0.9
64.79751	0.3
69.03445	1.9
70.06591	0.8
71.49993	0.4
72.93797	0.4
81.03433	1.0
85.02909	9.0
91.03933	0.4
96.68968	0.4
97.02898	2.1
98.97586	0.5
99.04457	0.7
102.50044	0.4
103.53938	0.4
107.04972	1.2
109.02886	1.7
112.79395	0.4
118.47244	0.4
119.04987	0.6
119.35581	0.4
127.03926	100.0
128.04269	1.0
129.78168	0.3
137.05939	0.8
145.04959	2.0
147.04399	2.0
148.00012	0.4
189.81584	0.4
211.99980	0.4
242.09583	0.4
249.32480	0.4
270.54779	0.4
289.06055	0.6
308.09958	0.4
434.74979	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.44442	0.5
55.05513	4.3
57.03440	0.6
64.96149	0.4
69.03430	1.3
69.87676	1.3
69.88099	0.9
70.06586	1.5
72.08160	50.8
79.05489	0.8
81.03425	1.1
81.07046	0.7
84.08112	0.6
85.02941	2.4
86.09695	1.2
87.04453	0.5
91.05477	1.6
93.07050	1.6
95.04996	0.5
97.02904	1.4
103.05472	3.5
105.07042	0.6
107.04963	1.1
109.02898	1.2
117.07024	1.0
118.05758	0.9
118.06506	3.4
119.04955	0.8
120.08114	100.0
121.06522	0.5
121.08461	1.2
122.03667	0.7
127.03931	1.5
130.06575	0.9
132.08112	2.8
136.07602	1.1
137.05998	8.7
138.09148	0.6
144.08084	3.3
145.06506	2.4
146.06026	17.3
147.04393	0.6
149.06015	0.7
151.07405	0.6
159.09187	7.1
159.11505	0.6
161.06064	0.6
164.07069	2.2
165.05515	0.6
165.06935	0.5
167.07065	1.2
169.01303	1.2
170.05997	1.0
173.05997	7.3
181.04994	0.5
188.07079	36.6
189.07446	0.7
201.05557	1.8
205.09743	19.8
211.07639	0.6
219.14943	40.9
220.15182	0.5
221.06116	0.5
229.04973	15.7
239.06929	0.6
247.14430	13.2
249.72440	0.5
271.09482	0.6
273.08823	1.1
285.11325	0.9
287.05630	1.5
288.05795	1.3
289.07089	37.1
290.07553	0.8
305.93536	0.6
352.16583	8.2
354.44724	0.5
401.13281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.9
57.07071	23.5
67.05505	5.3
69.07063	8.0
69.55981	13.5
70.35883	2.2
71.08643	15.3
81.07043	9.6
83.08591	6.2
85.10184	5.9
87.89008	1.9
89.05987	2.9
91.05457	2.8
93.07054	2.3
95.08621	10.1
97.10186	4.9
97.71241	1.9
98.21468	4.4
105.03386	16.1
109.10145	6.7
111.11693	2.5
123.11742	3.8
128.06245	2.1
129.06960	3.2
131.08545	8.9
133.02821	3.9
141.07013	4.7
143.08531	3.6
147.04395	2.5
153.06961	2.6
155.08540	3.4
157.06474	6.1
159.08044	9.0
161.05984	3.1
166.07803	2.6
167.08545	5.4
171.08029	14.8
173.06050	3.6
181.06505	4.6
181.10150	4.5
183.08037	3.0
185.09624	18.0
187.07544	100.0
195.08035	2.2
197.09644	14.3
198.06686	2.9
199.07587	15.1
199.11189	3.2
208.08852	4.1
209.09627	4.7
211.07593	2.2
211.11143	9.0
212.08163	2.6
213.09074	9.6
223.11168	6.6
225.12738	6.4
227.10706	10.1
229.50977	2.2
237.12732	5.5
239.14627	4.5
241.12187	4.2
433.34656	5.7
436.33313	2.3
451.35715	41.1
452.35797	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	451.3935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66075	1.8
53.03931	5.6
55.01868	3.1
55.05512	19.1
57.07065	7.5
65.03970	2.8
67.05187	2.4
67.05512	35.1
69.07080	26.0
69.47047	2.0
71.08638	2.9
71.42905	2.1
71.43235	2.2
79.05502	24.8
81.06593	4.4
81.07064	85.9
82.15943	1.9
83.08611	8.1
85.06557	20.3
89.06037	2.4
91.05482	25.8
93.06488	3.7
93.07051	55.0
95.04967	4.0
95.08618	80.4
97.06521	3.7
97.10158	5.5
104.28398	2.0
105.04504	2.5
105.07043	41.2
107.08603	52.3
109.10168	44.5
111.08085	3.8
111.11701	4.4
116.33678	2.1
117.06992	3.6
119.07811	3.0
119.08603	43.4
121.10164	37.8
123.08093	1.9
123.11719	21.4
124.03356	2.0
125.05991	2.4
125.76974	2.1
127.11199	2.0
131.08592	10.5
133.08655	2.1
133.10144	30.7
135.11717	26.2
137.13264	7.4
143.08546	5.3
145.10136	18.6
147.11716	21.9
149.13283	27.9
151.11185	3.0
155.08569	3.0
157.10139	6.5
159.11690	24.8
161.13275	28.8
163.14845	16.8
171.11700	6.1
173.13326	14.5
175.14864	14.3
177.16394	5.0
183.11685	2.8
185.13260	6.5
187.14891	10.8
189.16386	11.8
191.18022	3.5
199.14812	4.4
201.16397	8.1
203.17952	11.4
213.16344	6.6
215.18018	12.0
217.19540	8.2
227.17873	3.7
229.19510	4.9
241.19502	3.5
243.21030	4.3
255.21053	2.3
266.87225	2.0
269.22647	2.8
285.25894	3.7
309.25781	2.9
324.23062	2.4
351.30301	4.8
355.29889	2.6
433.38333	14.4
451.39465	100.0
452.10767	2.0
452.39828	2.9
461.99496	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01867	1.1
55.05511	1.6
56.05019	0.9
57.18938	0.9
59.05054	0.8
61.02934	1.1
65.03941	1.0
67.05495	3.0
69.03426	4.0
69.07079	1.3
69.48684	6.6
70.06595	7.3
71.05001	10.9
73.68813	0.8
79.05496	17.4
79.53990	0.9
81.03410	4.2
81.07060	99.5
82.07386	1.0
83.04994	5.6
84.04539	0.9
84.08164	2.2
85.02901	8.3
86.09704	1.1
87.00823	3.2
90.65034	1.0
91.05491	2.8
93.07044	2.5
95.04993	2.0
95.08590	1.3
96.88707	0.9
97.02871	4.3
97.06571	1.5
99.04450	1.6
103.36328	0.9
105.01862	5.6
105.07053	1.9
107.08596	7.4
108.12405	1.0
109.02878	4.4
109.06519	1.4
109.10149	5.9
113.06042	1.1
123.11728	8.5
127.03951	7.1
127.11182	1.0
133.10164	2.5
136.07582	4.0
139.11192	2.4
145.04971	3.4
148.51279	0.9
151.11183	13.4
157.12158	1.2
159.02907	1.8
169.12245	100.0
170.12582	1.9
187.13316	7.0
223.05817	1.0
226.96471	0.9
231.04964	1.6
306.06049	1.1
369.44952	1.0
374.73587	0.9
422.52603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01867	1.1
55.05511	1.6
56.05019	0.9
57.18938	0.9
59.05054	0.8
61.02934	1.1
65.03941	1.0
67.05495	3.0
69.03426	4.0
69.07079	1.3
69.48684	6.6
70.06595	7.3
71.05001	10.9
73.68813	0.8
79.05496	17.4
79.53990	0.9
81.03410	4.2
81.07060	99.5
82.07386	1.0
83.04994	5.6
84.04539	0.9
84.08164	2.2
85.02901	8.3
86.09704	1.1
87.00823	3.2
90.65034	1.0
91.05491	2.8
93.07044	2.5
95.04993	2.0
95.08590	1.3
96.88707	0.9
97.02871	4.3
97.06571	1.5
99.04450	1.6
103.36328	0.9
105.01862	5.6
105.07053	1.9
107.08596	7.4
108.12405	1.0
109.02878	4.4
109.06519	1.4
109.10149	5.9
113.06042	1.1
123.11728	8.5
127.03951	7.1
127.11182	1.0
133.10164	2.5
136.07582	4.0
139.11192	2.4
145.04971	3.4
148.51279	0.9
151.11183	13.4
157.12158	1.2
159.02907	1.8
169.12245	100.0
170.12582	1.9
187.13316	7.0
223.05817	1.0
226.96471	0.9
231.04964	1.6
306.06049	1.1
369.44952	1.0
374.73587	0.9
422.52603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.0
53.03944	1.7
57.16233	0.6
61.85152	0.7
67.05510	1.0
69.26302	0.5
70.56659	2.0
79.05498	4.5
81.07079	1.0
83.08643	0.7
87.04452	1.5
89.06030	8.7
91.05480	2.2
93.07047	2.8
95.04972	2.1
103.05502	3.7
104.69542	0.7
105.07036	100.0
106.07344	0.9
119.08545	0.9
121.06516	11.0
133.08641	3.2
147.08096	2.3
165.09097	4.9
192.52957	0.7
209.13344	1.1
225.12752	0.8
227.12793	39.6
239.14948	0.9
331.19119	1.4
414.16696	0.6
452.27689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.05496	0.6
57.07085	0.8
66.55251	0.5
67.05508	0.9
69.07076	0.9
69.20463	1.3
69.20863	5.1
77.63318	0.5
79.05501	4.4
81.07049	1.2
83.04988	0.6
84.71996	0.6
87.04487	1.5
89.06030	7.9
91.05483	2.3
93.06561	0.5
93.07049	3.1
95.04974	2.4
95.08624	1.1
98.98499	0.6
103.05479	3.3
103.32597	0.5
105.07038	100.0
106.07371	1.2
107.08574	0.8
119.04992	0.6
119.08595	1.6
121.06505	12.1
122.23948	0.6
131.08578	0.7
133.08595	3.0
139.07545	0.9
147.08073	2.5
149.09573	0.7
163.88298	0.6
165.09149	5.2
183.10046	0.6
209.13318	1.3
227.12788	38.8
228.13248	0.9
237.52695	0.5
251.14597	0.9
299.56403	0.6
304.94400	0.5
331.19238	2.7
434.24353	1.0
452.14908	1.1
452.27386	0.7
473.44373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75616	1.2
53.03935	4.0
53.87950	1.5
60.02897	1.2
66.23456	1.2
69.03429	5.5
70.95660	2.8
71.05003	3.7
80.88482	1.2
81.03419	45.5
85.02903	17.1
91.05483	100.0
92.39802	1.5
95.08619	1.7
97.02885	7.3
99.04483	8.9
105.07048	2.1
109.02884	28.8
115.05453	2.1
117.07030	4.3
127.03918	75.1
133.06453	2.3
143.04904	8.4
145.04965	4.7
145.06479	1.7
161.05977	19.5
169.04967	7.9
171.04413	22.8
174.04308	1.3
179.07030	13.0
187.05991	7.5
221.08127	5.9
229.07101	6.1
231.06517	2.4
249.07544	3.0
287.09106	1.9
317.91876	1.6
386.74487	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.1
61.02908	0.9
65.03912	1.2
69.03433	6.8
70.65841	1.8
70.66183	1.5
71.04993	1.5
81.03424	44.9
85.02908	16.0
91.05489	100.0
92.05833	1.1
97.02904	9.8
98.21294	1.6
99.04455	7.5
105.07038	1.6
109.02890	29.6
115.05487	4.7
117.07021	5.7
119.04929	1.7
127.03925	72.8
133.06505	2.7
143.04964	8.3
145.04976	5.4
145.06389	1.5
161.05992	22.8
169.04962	8.6
171.04414	26.8
177.55264	1.0
179.07056	15.1
187.06044	7.1
221.08112	5.9
229.07109	4.7
231.06523	3.2
247.08232	1.4
249.07625	2.4
287.09052	2.1
297.07822	1.2
333.09442	1.4
347.11212	1.2
393.11606	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32806	1.4
53.01542	1.4
53.03942	4.5
65.06635	1.3
69.03425	7.6
70.80192	3.0
71.05009	2.4
80.06690	1.4
81.03426	41.6
85.02909	12.9
91.05485	100.0
97.02898	8.7
99.04440	7.4
109.02897	27.9
115.05441	3.3
117.06997	3.3
127.03923	78.8
133.06505	2.3
134.21487	1.4
143.04901	7.1
145.04977	4.5
145.06491	1.6
161.05997	20.4
169.04996	6.5
171.04442	26.3
179.07054	14.8
187.06024	8.7
208.39439	1.6
221.08133	5.2
229.07166	5.7
231.06580	3.2
249.07632	3.5
287.09109	2.4
347.11111	2.2
375.11090	1.9
393.11990	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	453.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
69.03419	6.7
71.04971	3.1
71.28132	2.7
76.01905	1.8
81.03421	42.6
81.56085	1.6
85.02913	14.9
86.23634	1.5
91.05487	100.0
97.02900	10.0
99.04465	7.8
109.02882	28.4
111.99531	3.6
115.05463	4.7
117.07031	5.5
119.04927	3.3
125.23737	1.5
127.03925	82.1
130.00583	12.9
130.04041	2.4
132.00282	4.5
133.06566	2.8
138.01045	10.6
143.04932	7.1
145.04959	6.3
161.05994	20.2
169.04988	5.9
171.04425	26.7
177.00929	12.7
179.00616	4.9
179.07103	10.8
187.06046	7.1
194.00066	23.1
195.01967	2.1
195.99806	7.0
205.00476	2.4
221.08113	5.4
229.07133	5.8
231.06549	3.4
232.82884	1.7
249.07523	3.6
283.92197	5.0
285.92087	15.3
301.93381	2.2
303.93066	7.5
347.11441	2.4
452.93384	68.2
453.93777	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41037	0.5
52.54163	0.6
53.03954	3.5
53.67126	0.6
55.01868	1.1
57.03434	1.4
59.89925	0.6
61.02922	0.7
61.12156	0.5
65.03930	0.9
69.03426	5.6
70.14661	2.3
71.04993	4.1
79.05495	0.9
81.03422	27.6
81.07068	1.1
83.01353	0.7
85.02909	19.0
91.05485	58.5
93.07068	1.1
95.08612	1.0
97.02895	8.4
98.20884	0.8
99.04456	11.7
103.03959	1.5
105.07030	1.1
107.04944	1.0
109.02885	29.1
109.10178	0.8
115.05447	2.7
116.06207	0.6
117.07041	5.0
119.04980	1.2
119.08572	0.6
127.03925	100.0
128.04300	0.6
133.02899	0.6
133.06500	2.5
137.09668	0.6
139.03920	1.6
143.04941	2.3
144.10582	0.5
145.04977	1.8
145.06506	2.1
149.32700	0.6
159.11705	0.6
161.05994	22.4
169.04950	7.5
171.04398	7.4
179.07042	8.5
180.01933	0.5
187.06021	8.9
189.05502	2.1
229.07092	4.8
247.08113	1.2
280.02771	0.6
333.09766	0.9
393.11603	0.8
406.10477	0.7
453.33612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.5
53.85783	2.0
55.01866	2.1
69.03419	7.0
71.04992	2.7
71.11519	2.1
77.19225	2.0
81.03417	44.5
84.46705	1.9
85.02910	16.9
91.05481	100.0
97.02895	10.3
99.04427	8.8
106.33951	1.7
109.02876	32.1
115.05460	5.5
117.07037	4.4
119.04944	2.6
127.03914	84.4
133.06514	3.3
143.04918	6.7
145.04942	3.9
145.06465	3.5
153.40709	1.8
161.06001	19.1
169.05005	7.4
171.04396	23.0
179.07053	14.6
187.06007	9.3
221.08116	7.8
229.07085	7.4
231.06619	4.1
249.07527	3.1
287.66620	2.0
298.44919	1.9
347.11575	1.9
370.70346	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13599	1.4
53.03953	5.4
55.01851	1.7
59.88934	1.6
67.01833	1.6
69.03435	8.4
71.04987	4.2
81.03422	49.4
81.07075	1.9
85.02904	13.9
91.05489	100.0
95.35371	2.2
97.02892	16.1
99.04449	11.4
105.07053	2.7
109.02885	37.5
115.05486	4.0
117.07065	4.4
119.04961	2.1
123.97025	1.9
127.03924	93.7
130.21553	1.7
133.06511	4.6
143.04968	3.2
145.04994	2.3
145.06525	3.0
161.05994	32.4
162.70187	1.7
169.04991	7.6
171.04425	19.2
179.07051	12.3
187.05969	10.9
189.05554	1.9
212.14975	1.9
221.08029	2.8
229.07097	8.2
229.39307	1.7
231.06660	2.9
249.07732	1.9
298.25568	1.7
347.11243	2.4
393.11621	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	453.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.6
55.01857	1.8
65.12173	1.7
69.03429	8.9
71.04992	5.4
71.11786	2.8
72.35236	2.1
81.03425	50.5
84.89058	1.7
85.02900	16.7
91.05490	100.0
97.02908	15.0
99.04458	11.9
105.07021	2.1
109.02894	35.4
115.05441	6.3
117.07032	3.8
127.03925	89.3
133.06462	3.7
143.04912	7.9
145.04999	3.3
161.06009	27.2
169.04988	7.2
169.22870	2.2
171.04460	18.2
179.07101	11.5
187.06012	11.2
189.05490	3.0
218.01291	2.5
221.08095	4.1
229.07100	4.7
229.60945	2.2
268.32071	2.1
390.14297	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05518	19.8
56.96577	3.3
57.07070	13.0
67.05515	25.5
69.03426	6.5
69.07066	25.2
71.04975	3.8
71.08633	4.4
73.06553	4.5
75.74786	4.1
79.05502	19.6
81.07061	33.2
82.42131	3.7
83.04980	18.2
83.08615	13.5
85.06564	8.9
89.06016	9.8
91.05465	20.6
93.07072	30.9
95.04997	4.4
95.08613	46.5
97.06535	10.5
97.10152	4.9
99.08114	6.7
100.11237	7.5
105.07041	18.2
107.08591	27.3
109.10157	28.6
109.76321	3.4
111.08112	8.4
119.08575	36.5
121.10136	25.8
123.08081	14.0
123.11716	10.9
125.09613	4.7
127.03927	9.2
131.08571	13.9
133.08626	5.3
133.10136	24.3
135.11697	12.2
137.06049	4.4
137.09659	6.3
139.11140	4.1
141.09088	6.6
143.08565	10.6
145.10146	21.6
147.11658	20.1
149.09659	5.7
149.13278	9.3
153.12910	3.7
157.10121	14.6
159.11681	23.9
161.13301	12.4
169.10167	7.4
171.11707	11.1
173.13240	13.4
175.14755	5.8
177.12779	7.7
183.11697	8.5
185.13222	11.4
187.14813	11.3
189.16443	8.5
197.13257	11.1
199.14854	9.6
201.16423	7.7
203.14223	4.7
209.13245	12.3
211.14839	6.0
213.16374	8.0
225.16440	7.6
227.18048	10.1
231.17546	5.3
239.17964	5.2
243.17499	5.5
251.18024	5.8
267.20975	5.3
283.20499	9.6
285.22043	11.0
295.20447	5.6
297.22116	4.8
309.21973	4.0
311.23837	19.4
313.25284	7.7
319.19330	6.2
337.20773	5.0
337.25229	10.1
339.27045	5.2
351.26947	6.8
363.26816	7.2
381.27921	19.3
417.31339	5.9
435.32608	24.3
453.33707	100.0
454.34119	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	453.3367
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03943	4.0
55.05507	17.0
57.07083	8.7
67.05508	26.6
69.03433	12.0
69.07079	27.9
69.31399	3.5
71.04985	5.3
71.52031	4.0
71.53848	3.1
79.05495	16.2
81.07065	42.2
83.04984	12.5
83.08616	11.6
85.06560	7.7
85.10170	5.6
89.06030	7.9
91.05478	23.6
93.07043	33.4
95.04977	14.5
95.08620	53.2
96.87167	3.2
97.06554	5.7
97.10165	7.4
99.08113	6.7
100.11287	4.4
101.09696	5.3
105.07040	24.5
107.08601	32.8
109.06521	8.3
109.10165	33.5
111.08081	8.1
117.07047	6.8
119.08587	35.7
121.10152	27.9
123.08080	15.8
123.11732	12.8
125.09647	4.2
129.07010	3.9
130.98026	3.6
131.08556	21.0
133.10201	21.6
135.08109	4.7
135.11734	8.2
137.09654	5.7
139.11223	7.1
141.09105	9.4
143.07509	4.0
143.08578	15.4
145.10153	20.1
147.11734	15.6
149.09685	4.4
149.13312	8.8
151.11176	4.7
157.10127	14.0
158.10931	5.2
159.11705	19.0
161.13293	13.8
163.11168	6.3
165.12933	4.4
169.10086	7.8
171.11693	14.0
173.13278	17.9
175.11150	4.6
183.11696	13.6
185.13287	12.7
187.14825	6.7
189.16360	6.3
195.11687	8.8
197.13339	9.5
199.14896	7.7
201.12628	5.0
201.16464	5.8
203.18016	5.1
209.13174	4.5
211.14848	6.2
213.16353	6.6
215.14304	4.9
223.14842	7.6
225.16371	9.7
227.17996	6.9
245.19188	5.0
251.18063	8.7
257.18881	4.2
265.19461	4.4
267.21143	4.7
283.20578	8.0
285.22137	9.4
295.24210	4.8
297.22101	8.2
309.22177	7.6
311.23621	17.3
313.25308	9.5
337.25348	7.2
339.26770	9.0
351.26926	9.3
363.26886	9.9
381.27853	20.6
417.31406	8.3
435.32602	35.0
453.28107	8.8
453.33685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03931	4.3
55.01861	4.3
55.05514	23.2
57.03429	2.4
57.07063	7.0
65.03955	3.2
67.05188	2.4
67.05508	34.7
69.03410	7.8
69.07076	23.3
69.91210	9.4
69.91603	5.1
70.06583	2.8
71.05003	2.8
79.05498	28.5
81.03410	10.5
81.07060	62.2
83.04984	6.8
83.08609	10.3
85.02901	12.2
88.81602	2.4
91.05489	38.1
93.06490	3.8
93.07050	52.6
95.04980	7.5
95.08611	100.0
97.02893	4.6
97.06516	7.1
97.10176	6.4
98.97549	2.8
99.04449	3.0
100.11295	13.1
105.07035	67.0
107.04950	3.4
107.07884	3.4
107.08600	61.5
109.02879	6.1
109.06509	9.4
109.10151	43.1
111.08087	24.5
115.05511	3.0
117.07003	10.5
119.03380	2.7
119.05997	2.9
119.08593	81.4
121.06492	4.8
121.10152	50.0
123.08036	10.9
123.11713	16.7
125.05951	3.7
125.09622	5.8
127.03914	14.8
128.06235	3.6
129.06976	7.2
131.08572	35.4
133.06564	3.4
133.10132	53.3
135.08047	5.1
135.11702	24.6
137.05977	5.7
137.09573	6.1
137.13249	5.1
139.07494	4.1
142.07756	6.1
142.38751	2.3
143.08611	16.1
145.10147	53.5
147.08040	5.4
147.11703	44.2
149.09593	7.5
149.13268	22.8
151.07570	7.8
151.11182	3.1
155.08551	6.3
156.09294	2.7
156.14673	3.3
157.10124	21.6
158.10902	4.6
159.11703	46.8
161.05917	4.3
161.09644	5.9
161.13280	33.2
163.07475	3.1
163.11150	5.1
163.14819	10.9
165.09145	2.9
165.12695	3.5
169.10098	9.2
170.10886	2.7
171.11722	12.9
172.12373	2.5
173.09555	3.6
173.13274	36.2
175.14841	22.1
177.16370	13.5
179.10677	3.0
181.10175	3.5
181.61435	2.7
182.15404	12.4
183.11676	5.8
185.13278	10.9
187.14807	31.3
189.12755	9.6
189.16406	33.1
191.14331	2.9
191.17892	5.4
197.13268	7.5
199.14845	19.7
201.12683	5.3
201.16405	37.6
203.10768	3.5
203.14230	4.0
203.17987	23.7
205.12253	5.3
205.15833	12.3
207.07333	2.6
207.11787	3.8
207.13757	7.0
207.17410	6.5
209.13297	3.5
210.14941	14.0
211.14806	10.0
213.13010	3.3
213.16382	16.0
215.14323	3.9
215.17952	15.5
217.15822	4.1
217.19560	3.4
219.13875	5.9
219.17509	3.8
221.15358	5.5
223.14778	4.8
225.16370	10.7
227.17863	8.4
229.15794	4.6
229.19434	5.0
231.17465	4.5
233.15277	6.9
237.16312	3.5
239.17992	7.8
243.20996	4.1
247.16862	6.5
253.19464	6.0
255.13951	2.8
255.21066	4.2
267.21069	3.2
269.22714	2.9
273.18533	4.6
279.21143	3.7
311.19864	3.0
327.23431	2.7
329.46951	2.7
343.91205	3.0
353.24600	3.3
389.31946	9.1
391.33624	6.7
395.29300	3.6
407.33057	37.8
417.31290	6.1
423.32535	5.8
435.32654	45.6
436.32648	3.0
453.33871	56.3
453.84671	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	453.3367
Annotation	Stellettin J
Peak:m/z	Relative Intensity
52.62439	2.5
53.03934	7.3
55.05514	21.3
57.07075	7.3
67.05509	26.8
67.95670	2.6
69.03426	10.3
69.07060	21.2
70.06574	3.6
70.39019	5.1
70.39382	7.9
79.05499	24.3
81.03428	31.1
81.07065	48.9
83.08607	11.2
84.08168	3.0
85.02917	17.9
86.09707	3.9
91.05485	97.2
93.07048	47.7
95.04961	6.8
95.08616	100.0
97.02888	11.3
97.06489	4.0
97.10162	6.9
99.04452	6.4
100.11253	17.6
105.07034	72.2
107.08599	68.2
109.02885	23.1
109.06512	5.9
109.10165	42.3
111.04433	3.3
111.08099	19.4
115.05471	6.4
117.07005	15.4
119.04988	2.8
119.08586	77.5
119.09460	3.7
121.10146	50.0
123.08119	3.9
123.11713	17.0
127.03931	51.1
127.90435	2.4
129.06969	8.5
131.08589	34.0
133.06441	4.0
133.10139	46.3
135.08162	2.8
135.11714	24.8
137.13249	5.5
139.07549	3.2
141.06946	3.6
142.07768	6.1
143.04948	7.0
143.08614	14.0
144.09270	4.9
145.04948	3.6
145.06528	3.5
145.10124	61.4
147.08092	3.7
147.11702	43.8
149.09662	3.6
149.13269	32.0
153.59528	2.7
155.08662	3.0
157.10162	19.8
159.11691	51.7
161.05992	15.8
161.09621	6.0
161.13252	27.0
163.07608	4.2
163.14807	8.7
169.05042	5.0
169.10106	5.8
171.04398	21.4
171.11719	13.3
173.09734	3.4
173.13281	31.8
175.11209	5.0
175.14851	25.9
177.16417	19.1
179.07071	8.7
182.15407	4.2
183.11719	6.0
184.07336	7.7
185.07701	3.2
185.13309	14.7
187.06013	6.6
187.11208	5.3
187.14816	30.3
189.16370	37.0
191.14294	4.2
191.17912	4.1
196.12508	3.8
197.13228	5.5
199.14827	19.2
201.12735	12.9
201.16400	42.8
203.10667	3.8
203.14273	6.4
203.17986	21.2
205.12193	7.5
205.15961	13.7
207.13889	4.8
207.17471	10.4
209.13341	3.8
209.16547	4.0
210.14911	7.6
211.14799	4.6
213.16376	12.8
215.14418	6.0
215.17964	18.8
217.12285	4.5
217.15926	4.1
219.17451	6.4
221.15286	4.3
225.16338	6.6
227.17892	8.9
229.15916	9.5
229.19366	5.8
231.06389	3.5
231.17552	5.9
233.15361	5.2
239.18056	7.1
241.19516	4.8
243.21014	4.9
247.16869	7.3
253.19601	4.3
255.21043	3.3
265.19427	3.4
269.22656	5.2
293.22610	3.1
295.24066	3.1
299.20135	4.3
311.23563	3.6
389.32062	13.1
391.33560	11.9
395.29404	8.2
407.33151	42.9
417.31427	6.0
425.34543	3.3
435.32666	61.9
453.17618	3.9
453.33713	62.0
454.34076	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	453.3366
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03935	4.9
55.01878	1.8
55.05511	20.3
57.07072	4.9
57.07846	1.4
59.04998	3.0
64.45554	1.3
65.03934	2.7
67.05513	26.2
69.03438	21.0
69.07073	18.9
70.09755	6.5
71.04984	7.1
71.08642	2.6
73.06551	6.5
74.53887	1.4
79.05502	15.5
81.03405	2.4
81.07064	31.9
83.04971	8.1
83.08620	14.6
85.06549	3.4
89.06035	7.1
89.54385	1.6
91.05490	14.7
93.07049	29.3
95.04966	18.9
95.08614	54.6
97.06547	8.9
97.10165	5.9
99.08100	7.2
103.05492	1.9
105.07040	27.7
107.08604	39.7
109.06506	6.4
109.09470	2.9
109.10169	34.8
111.08087	9.4
111.11686	1.5
113.09637	1.8
114.73018	1.7
117.07024	6.2
119.07808	2.5
119.08598	34.1
121.06503	4.1
121.10152	32.1
123.08084	14.2
123.11710	17.7
125.09639	7.5
128.06210	1.5
129.07016	4.2
130.07787	1.7
131.08591	20.5
133.08617	3.7
133.10139	26.3
135.08041	4.2
135.11717	12.8
137.09656	7.8
137.13249	2.5
139.07533	2.7
139.11234	4.7
141.06981	1.9
141.09100	8.3
142.07771	3.7
143.08569	16.9
144.09383	2.4
145.10144	28.1
147.11684	20.2
149.09639	5.4
149.13287	7.0
151.11232	7.7
155.08565	7.6
156.09378	3.3
157.10141	19.4
158.10936	2.9
159.11705	29.4
161.09615	2.8
161.13272	20.0
163.11194	2.1
163.14885	4.3
165.12788	3.9
167.10680	6.4
168.09404	2.8
169.10176	13.5
170.10941	3.0
171.11717	15.6
173.13287	18.6
175.11168	3.6
175.14867	8.0
177.12801	5.0
179.14323	1.5
181.10124	4.4
182.10962	2.9
183.11719	14.0
184.12506	2.1
185.13290	19.8
187.11165	1.7
187.14848	13.8
189.12750	5.7
189.16443	6.6
193.10086	2.2
195.11761	11.6
197.13293	14.2
199.11128	2.0
199.14897	14.8
201.12764	3.2
201.16397	10.3
203.14378	2.6
207.11794	1.9
209.13269	9.9
210.14006	2.0
211.14897	11.2
213.16312	9.9
215.14430	2.0
215.17996	3.4
217.15923	2.9
221.13304	2.4
221.15297	2.2
223.14777	7.8
225.16417	11.5
227.17949	13.0
229.15930	4.1
229.19495	2.0
231.17468	8.5
235.14903	4.9
237.16400	7.0
239.14836	3.7
239.18056	6.8
241.15887	2.4
241.19591	4.3
243.17459	7.1
245.19019	12.5
249.16484	4.1
251.17966	7.7
253.19485	3.0
255.17468	2.9
257.19095	6.3
259.20636	7.4
263.18088	2.7
265.19562	4.4
267.21112	2.3
269.19159	4.3
271.20688	2.7
277.19644	4.3
279.21100	3.8
281.19055	5.5
283.20566	8.7
285.22119	11.2
291.21155	1.8
293.19177	2.4
293.22610	5.2
295.20581	11.2
295.24197	6.8
297.22202	5.6
299.23834	2.7
307.20688	2.5
309.22205	13.0
311.20459	1.2
311.23718	27.5
313.25302	24.0
319.24451	2.4
321.22205	3.2
321.25726	3.7
323.23724	2.9
325.21698	1.7
335.23642	3.3
337.25293	21.0
339.26849	12.2
345.25751	1.7
347.23819	2.6
349.25339	2.9
351.26822	11.8
353.24756	2.3
353.28528	4.0
363.26913	18.9
365.28683	2.6
367.26575	2.2
379.26184	2.2
381.27878	51.5
382.28351	1.7
407.33493	2.6
417.31436	11.1
425.34372	2.1
435.32623	29.8
443.70612	1.7
453.33679	100.0
454.33853	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2931
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05500	3.0
57.03439	3.3
57.06800	0.9
57.07079	22.6
62.06092	24.6
67.05510	4.1
69.07069	3.7
69.85655	2.1
69.86063	1.3
71.08633	16.6
78.25951	0.5
81.07056	6.3
83.08615	4.8
85.10193	7.9
89.06036	0.7
95.08617	8.0
97.10164	2.8
98.12794	0.7
98.98477	5.8
102.02319	0.6
105.07018	0.8
107.08612	0.7
109.10182	5.2
123.11689	1.2
124.01598	1.3
125.13297	0.8
128.34924	0.8
142.02658	1.0
155.01050	7.6
166.04935	0.7
171.11781	0.9
173.02158	1.2
193.68242	0.7
198.05249	1.9
216.06316	2.3
239.23741	1.9
282.27917	15.8
283.28311	0.8
298.20987	0.8
313.27383	100.0
314.27536	2.7
376.84235	0.6
393.23969	5.0
436.28085	1.9
437.33902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05512	3.5
57.03438	9.4
57.07081	29.0
62.45701	0.8
67.05509	6.5
68.64624	0.6
69.07073	5.6
70.06591	1.8
70.39369	2.1
71.08636	17.3
73.06532	0.8
79.05492	1.8
81.07057	9.4
83.08631	6.5
83.77773	0.8
85.10182	9.0
88.07625	2.3
89.06038	1.9
91.05492	1.0
93.07053	1.6
93.43109	0.7
95.08611	11.5
97.10174	3.3
102.09196	1.8
103.07575	1.2
107.08585	1.3
109.10142	4.9
119.08586	1.1
121.10162	1.0
123.11736	2.2
124.01568	0.7
137.13264	0.9
153.06958	1.8
180.90657	0.6
181.06470	6.6
188.79008	0.6
196.14627	0.7
201.82318	0.7
225.09082	8.0
239.23586	1.1
256.26312	6.4
257.24780	1.7
282.27893	5.5
313.27380	100.0
314.27740	2.2
454.33398	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	454.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.7
57.07079	36.0
67.05510	1.1
69.07060	1.6
69.16843	8.3
71.08633	24.1
72.53458	0.8
73.06564	6.2
74.71231	0.8
79.05504	1.3
81.07051	3.1
83.08621	2.7
85.10188	20.9
87.04469	2.2
87.28710	0.8
89.06039	100.0
91.05471	1.2
93.07048	1.9
95.08614	2.9
97.06551	0.8
97.10162	4.7
99.11745	3.8
105.07031	1.7
107.07064	2.5
107.08598	2.0
107.83727	0.9
109.10178	1.5
111.11711	1.3
113.13295	1.8
117.09138	2.7
122.44121	0.7
123.11705	1.0
123.19164	1.0
130.08696	2.1
131.08554	1.2
133.08617	46.4
151.09654	1.2
155.17964	3.2
177.11205	15.7
195.12270	1.1
199.20625	3.8
216.57368	0.8
221.13760	1.3
239.14868	2.3
243.23190	7.6
283.17523	13.2
287.25821	2.2
313.27396	1.9
349.29178	0.9
437.34848	13.7
452.18326	0.9
454.34348	1.6
455.35425	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3523
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
53.03938	3.9
55.05512	14.6
57.07066	5.3
67.05220	2.7
67.05508	25.0
69.03421	6.1
69.07076	21.0
69.62156	13.2
71.04993	3.6
71.47492	2.3
79.05502	24.0
81.03390	4.0
81.07060	55.0
83.04960	5.9
83.08606	8.8
85.02916	6.2
91.05471	24.8
93.07049	49.9
95.04955	6.6
95.08612	100.0
97.06510	3.9
97.10152	5.4
99.08087	3.3
105.07030	60.9
107.04955	4.0
107.08596	71.3
109.02912	3.0
109.06519	6.3
109.10159	53.0
111.08087	39.6
117.07029	10.5
119.08587	77.1
121.09347	3.3
121.10152	51.2
123.08037	3.8
123.11723	23.1
125.09601	4.7
129.06996	3.1
131.08575	24.5
133.10139	49.8
135.08064	3.6
135.11699	37.1
137.05971	5.3
137.09566	3.1
137.13295	4.3
139.07568	4.7
143.08545	9.2
145.10129	33.7
147.08031	3.3
147.11696	50.7
149.09601	7.0
149.13264	46.8
153.09102	5.4
157.10141	7.1
159.11694	33.6
161.09677	4.8
161.13261	40.4
163.07452	4.3
163.11171	3.9
163.14819	23.1
167.10690	3.2
173.13266	23.5
175.14862	27.8
177.16389	32.4
183.11725	3.0
185.13271	7.6
187.14867	23.1
189.12764	3.3
189.16394	63.7
191.14365	3.2
191.17972	64.4
197.13295	4.9
198.30605	2.7
199.14862	9.4
201.16425	38.0
203.14183	3.3
203.17966	64.9
205.15878	8.5
205.19504	12.0
207.17456	15.1
212.16498	3.2
213.16399	7.4
215.17943	13.7
217.15901	6.1
217.19533	10.3
219.17447	12.2
221.19052	4.6
227.17818	4.5
229.15860	9.2
229.19557	7.7
231.17412	4.2
233.15376	3.8
233.19020	4.8
241.19446	3.3
245.22685	3.8
247.16866	13.3
249.18553	3.8
391.33444	15.3
397.30923	8.6
409.34637	49.5
419.33240	4.0
425.34030	5.9
437.28793	4.5
437.34149	38.3
438.19785	2.9
455.19000	17.5
455.35312	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.3
55.05512	13.8
57.07073	4.9
58.41872	2.4
65.03943	3.7
67.05513	22.5
68.20403	2.6
69.03426	4.7
69.06771	3.1
69.07079	28.1
69.47584	17.0
69.47998	5.1
71.04972	3.1
77.03919	3.4
77.21255	2.9
79.05509	14.8
81.07062	57.0
83.08625	10.1
85.02922	4.4
91.05490	26.9
93.07052	50.1
95.04969	7.8
95.08609	80.9
97.06550	4.5
97.10164	5.9
105.07040	58.5
107.08591	70.4
109.06531	11.6
109.10167	48.9
111.08087	37.1
113.09695	2.9
117.07014	8.5
119.08588	67.1
121.06538	3.5
121.10153	51.3
123.08067	3.4
123.11704	15.3
125.06059	3.5
125.09625	6.3
128.06174	3.2
129.07043	4.3
131.08562	19.8
133.10121	41.5
135.08066	3.6
135.11702	28.6
137.05991	7.7
137.09621	4.8
137.13277	4.2
139.11226	6.1
143.08591	10.1
144.09258	3.6
145.10127	36.1
147.08066	5.2
147.11691	55.0
149.09695	7.2
149.13272	43.1
153.09175	7.4
156.09332	3.3
157.10179	10.8
159.11690	32.9
161.05975	3.2
161.09683	4.6
161.13274	40.0
163.11182	5.8
163.14856	23.6
171.11736	8.0
173.13278	27.2
175.07608	3.5
175.11330	3.5
175.14835	26.7
177.05511	6.0
177.16397	37.8
181.04959	23.8
183.11717	3.3
185.13248	6.9
187.14841	20.2
189.16403	60.7
191.17979	15.8
193.15973	4.1
197.13280	4.8
199.14883	7.1
201.16402	23.5
203.14462	3.7
203.17982	63.4
204.44537	2.8
205.15923	9.4
205.19545	9.0
207.17427	18.2
211.14958	3.4
213.16431	9.3
215.17990	14.6
217.15977	6.5
217.19565	8.8
219.17516	9.1
221.15349	3.6
221.18983	4.9
227.17989	6.7
229.19583	3.3
231.17517	9.0
235.16930	5.2
241.19664	4.7
243.21135	5.4
245.22780	4.0
249.18567	6.1
255.21291	3.3
269.22772	3.2
301.05350	44.8
303.06934	27.6
309.31940	2.9
351.30832	5.7
391.33633	12.6
397.31287	9.4
409.34683	56.1
419.33060	5.3
425.34332	5.3
437.34296	34.4
446.30063	3.2
455.18967	100.0
455.24985	5.6
455.28906	6.5
455.35074	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	455.3523
Annotation	Lansionic acid
Peak:m/z	Relative Intensity
53.03938	7.6
55.01892	3.3
55.05504	12.6
57.07063	5.3
59.05020	4.1
61.57801	3.2
62.87667	3.6
65.11018	3.4
67.05502	24.4
69.03421	9.8
69.07076	22.0
71.04979	7.4
71.50690	5.2
79.05480	23.7
81.03441	36.7
81.07062	53.4
82.03737	12.9
83.04988	10.4
83.08614	5.5
85.02891	14.4
91.04904	5.0
91.05484	100.0
92.05811	25.8
93.06163	5.9
93.07049	50.0
95.04981	4.8
95.08061	6.2
95.08617	73.7
97.02886	11.9
97.06573	5.8
97.10155	3.7
99.04472	8.6
103.02068	3.8
105.07041	56.4
107.04960	6.8
107.08596	42.7
109.02873	21.5
109.06504	10.0
109.10154	40.4
110.03208	6.0
111.08090	25.7
115.05421	4.8
117.07030	12.8
119.04863	4.1
119.08592	55.9
121.10147	43.8
123.11723	16.6
125.09597	4.4
127.03925	52.0
128.04271	20.8
129.04381	13.9
129.07030	6.9
131.08562	25.4
133.06497	8.5
133.10143	39.3
135.08089	5.1
135.11697	21.4
137.09662	4.3
137.13187	6.7
141.06976	5.2
142.07800	4.9
143.04900	5.1
143.08583	14.9
145.06442	5.4
145.10138	33.0
147.08112	4.2
147.11700	37.4
149.09636	3.9
149.13275	51.8
151.11237	4.4
155.08557	5.0
156.09364	6.8
157.10147	26.3
159.11697	34.1
161.05991	11.1
161.09645	6.3
161.13260	22.7
162.06342	4.8
163.06680	3.4
163.11160	6.2
163.14847	15.7
168.28316	3.4
169.04915	5.5
169.10211	5.1
171.04420	12.9
171.11687	19.3
172.04762	6.5
173.05035	4.1
173.13264	20.6
175.11151	9.9
175.14824	16.6
177.12749	11.2
177.16411	12.1
179.07069	7.3
179.14319	3.7
183.11823	7.7
185.13219	8.7
187.05975	6.4
187.14839	26.4
189.12729	9.9
189.16412	32.1
191.14273	11.5
191.18028	4.7
197.13287	7.8
199.14792	12.7
201.12709	11.5
201.16458	12.9
203.14392	9.3
203.17926	11.6
205.15881	29.8
207.06516	4.7
207.17422	8.5
211.14795	8.1
213.16377	9.0
215.14310	11.8
215.17970	10.5
217.15843	19.3
219.17389	6.3
223.14801	4.3
229.15843	9.1
229.19444	6.5
231.17487	14.0
233.19003	6.9
241.15826	4.5
255.21030	5.9
257.19189	5.4
271.20728	4.2
379.30057	4.9
397.30624	6.0
407.32996	13.7
409.34692	9.2
419.33069	17.7
425.34171	23.4
437.34247	42.4
447.02206	3.8
455.35275	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	456.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.05510	1.9
57.07079	17.1
58.06576	1.4
63.06227	0.3
67.05507	2.3
69.07074	3.2
70.06596	16.0
71.08634	11.0
71.26440	0.3
71.26777	0.6
73.02904	1.7
81.07056	3.0
83.08629	2.7
85.10186	3.5
87.04432	0.6
88.07635	19.2
93.07040	0.5
94.58937	0.3
95.08609	3.8
97.10159	1.3
102.09187	14.2
105.07048	0.3
106.08678	0.8
107.04984	0.3
107.08614	0.6
109.10164	1.8
111.11729	0.4
113.00031	0.6
121.10097	0.5
129.34297	0.4
156.17480	0.9
157.10051	0.3
161.38548	0.3
169.02553	0.4
176.77249	0.3
197.08076	0.3
200.20105	52.2
201.20476	1.0
218.21175	4.8
227.12854	0.3
227.20018	0.5
238.47064	0.3
240.74178	0.3
240.76649	0.3
255.23174	0.5
256.26385	0.5
283.26324	56.0
284.26669	1.4
313.27405	1.9
383.76089	0.4
456.44135	100.0
457.44528	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	457.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96641	1.5
56.94316	2.3
56.96566	3.6
68.25739	1.5
69.03437	2.6
72.02186	1.5
72.93782	4.8
85.02913	4.6
86.02177	1.4
86.94765	1.3
89.20175	1.6
90.94822	3.7
97.02908	3.7
98.97578	8.4
102.94855	2.4
109.02864	1.4
110.97575	2.5
114.89307	3.3
114.94772	2.3
116.85356	1.5
127.03928	2.0
127.74571	1.5
128.96338	3.1
128.98615	3.5
132.95837	36.0
140.96371	4.4
143.00246	1.7
144.95856	14.5
145.01758	1.5
146.97469	1.5
150.96892	4.6
156.95837	2.0
158.97394	13.2
162.96898	3.0
167.55325	1.4
168.95874	6.0
170.97409	9.3
174.96909	17.3
176.98503	4.3
186.96899	20.9
188.98349	1.8
198.96881	29.6
204.98029	2.8
210.96872	12.7
216.97963	18.3
226.00497	1.5
228.97968	4.5
234.99028	30.1
237.02834	1.8
277.00079	100.0
288.99939	8.7
295.00992	1.9
307.01083	20.2
341.27213	2.0
367.08691	4.1
397.04367	4.0
405.47906	1.8
457.11459	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	457.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.2
55.93534	1.5
56.94304	2.1
56.96566	6.0
57.03437	1.3
69.03429	5.1
70.00815	6.8
70.06591	3.0
70.32858	1.4
71.05005	1.7
72.93801	6.7
73.02935	1.5
81.03410	2.8
81.04516	1.4
83.84782	1.2
84.08147	3.9
84.96028	1.4
85.02926	7.1
86.09705	1.4
86.95306	1.4
87.04481	2.0
90.94846	2.7
97.02888	7.5
98.97589	16.4
107.04972	4.8
109.02908	1.5
110.07175	3.5
110.97579	4.9
114.94839	1.5
116.98617	5.0
122.07150	7.3
123.07953	7.8
127.03893	3.7
128.96390	1.6
128.98621	2.7
129.10269	2.5
132.95845	35.4
136.07532	1.5
137.06038	3.9
140.96356	2.7
143.00087	1.6
144.95845	14.4
146.99692	1.5
147.04437	3.8
150.96857	6.2
156.95801	2.2
158.97438	11.3
158.99663	2.6
162.96877	4.8
168.95842	7.7
170.97385	9.9
170.99695	2.2
174.96906	20.8
176.98473	4.0
186.96880	17.8
188.98465	4.2
189.00644	2.0
198.96913	29.8
200.98557	1.8
201.00719	2.4
204.98018	3.9
205.00026	1.4
210.96921	16.0
216.97984	16.1
219.01773	5.7
221.05048	1.9
228.97954	5.4
234.99007	29.1
237.02763	7.9
260.30359	1.5
260.33157	1.8
273.17709	1.8
277.00076	100.0
278.00284	1.9
289.00095	9.3
295.08752	11.4
295.11676	1.9
307.01071	20.6
329.05573	1.5
337.02249	1.8
357.67807	1.6
366.58221	2.6
367.08026	1.6
397.04370	3.8
421.13248	1.8
457.13602	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	457.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53281	2.1
56.94327	2.4
56.96571	2.7
71.50402	3.0
72.93790	4.2
74.61333	2.5
85.02901	5.3
89.82021	2.6
90.94772	2.6
97.02875	4.5
98.97593	6.7
109.02850	2.7
112.89629	5.8
114.05500	2.7
114.89348	81.5
128.96393	3.2
132.95851	28.7
144.95825	9.7
147.85201	2.3
150.96881	4.8
158.97440	9.2
162.97014	3.8
168.95885	5.5
170.97487	5.6
174.96913	14.4
186.96927	14.3
198.96878	25.3
204.97966	4.6
210.96910	5.9
216.97948	13.4
228.98019	5.7
234.99028	21.5
237.02863	3.1
247.04822	4.3
277.00095	71.2
289.00098	6.7
298.94913	3.3
307.01227	14.2
337.47083	3.0
353.67798	2.7
384.68890	2.9
440.30011	2.7
450.32449	3.2
454.80936	2.5
457.11246	100.0
458.11728	3.3
468.79932	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.01878	9.3
57.03441	7.2
58.16751	0.9
59.35840	0.9
61.02921	3.8
62.83203	1.0
64.77575	1.0
67.01885	1.8
68.99788	2.1
69.03431	2.7
69.73206	5.6
70.06594	9.6
71.01361	2.2
72.08164	1.3
73.02899	1.7
77.03983	1.1
77.10193	0.9
79.05504	1.2
81.03413	5.7
84.08138	3.7
85.02441	1.5
85.02909	19.4
86.09700	1.6
91.05493	3.2
93.03414	2.4
95.01335	2.8
95.04977	2.1
95.48959	1.0
97.02914	9.0
103.03951	5.3
103.05501	1.5
105.03398	2.1
105.07035	2.2
107.04957	4.6
109.02885	8.3
110.07190	5.2
115.05466	2.8
117.07016	2.7
119.04955	5.6
120.08103	1.9
121.02010	1.3
121.02879	22.2
123.04419	5.0
127.03966	1.7
128.06235	2.4
129.07051	2.5
129.10225	1.8
131.04915	4.9
133.02905	1.7
133.06520	2.8
135.04427	1.7
137.05989	2.5
139.03882	3.1
141.06995	2.5
142.61159	1.0
143.04889	1.7
143.08575	1.1
145.02844	3.0
145.06491	4.7
147.04436	5.6
147.08089	1.3
149.02347	2.3
149.05966	3.2
150.07703	1.4
151.03862	5.6
153.01775	1.0
153.07007	1.7
155.08530	1.6
156.07663	2.5
157.06461	3.2
159.04471	6.2
161.05974	7.2
163.03917	7.5
165.05489	2.8
165.06879	1.2
167.03372	2.5
169.04950	1.0
169.06429	2.5
171.04431	4.8
171.08069	1.5
173.02380	1.9
173.05981	9.3
175.03908	13.2
175.07550	4.6
177.01866	2.0
177.05486	10.4
179.03410	2.1
181.04974	14.1
181.06508	2.7
183.08015	2.4
185.05959	8.1
187.03915	15.1
187.07559	3.4
188.04659	1.3
189.01845	3.5
189.05484	11.3
191.03401	3.8
191.07048	4.6
193.04976	25.1
195.02942	2.1
195.08095	1.1
197.06018	5.1
199.03949	6.2
199.07544	4.4
201.01852	2.0
201.05482	25.3
202.06329	1.5
203.03441	2.8
203.07039	14.6
205.04980	26.2
205.06360	1.0
207.02881	3.7
207.06487	3.8
208.05180	1.2
209.06020	2.1
211.03952	3.6
211.07487	2.5
213.05467	12.5
213.08926	1.3
215.03429	2.6
215.07031	5.4
217.04971	25.6
217.08553	2.8
219.03125	8.2
219.06526	28.8
221.04449	4.7
223.07657	1.5
225.05530	9.1
226.06149	1.5
227.03365	3.0
227.07034	12.1
229.04974	17.2
229.08525	1.3
230.05585	2.0
231.02989	1.6
231.06532	21.0
233.04454	4.5
233.08043	1.6
235.05969	9.3
235.11934	1.1
237.05434	3.5
239.03363	1.8
239.07039	4.2
241.04930	11.5
241.08621	1.9
243.06534	22.4
245.04448	3.3
245.08101	16.6
247.06041	100.0
248.06383	2.1
249.05571	1.7
251.07060	5.2
253.05017	9.8
253.12984	1.7
254.05637	1.5
255.06525	15.3
256.07141	1.2
257.04428	3.3
257.08130	5.5
259.06046	67.0
260.06403	1.8
261.03900	1.7
261.07709	2.5
265.04993	4.6
267.06506	9.1
268.07193	2.2
269.04324	1.0
269.08069	6.0
271.06021	35.1
273.04492	1.2
273.07568	29.2
275.05493	2.2
277.04831	1.2
277.07129	12.4
279.06570	11.7
281.04642	1.4
281.08127	3.1
283.06036	19.7
284.06683	1.6
285.04376	1.4
285.07571	19.5
287.05472	3.5
287.09128	2.4
289.07111	32.9
291.06366	2.6
293.08124	2.2
294.05432	2.3
295.05908	20.3
296.06735	4.5
297.07596	23.8
299.05533	4.6
299.08957	2.3
301.07092	82.9
302.07471	2.7
305.06503	2.0
307.05746	10.3
307.08243	14.1
308.06842	5.7
309.07755	5.4
311.09186	3.6
313.07010	79.8
314.07388	2.2
315.08694	6.0
319.08572	5.7
321.07599	3.8
322.08282	4.8
323.05408	1.6
325.06906	61.2
325.09521	44.4
326.07227	2.0
327.08661	2.9
331.08157	9.7
333.07022	1.0
337.06897	21.4
339.08453	2.5
343.08133	54.9
344.08420	2.4
349.06979	3.1
351.08563	8.7
355.08173	24.9
361.09232	42.1
362.09262	1.3
365.10156	3.9
367.08136	11.7
373.09225	25.6
375.08511	2.2
379.10638	40.0
385.09265	13.1
391.10419	31.4
403.09851	18.7
409.10590	6.5
421.11475	21.8
439.12350	20.1
457.11536	20.9
457.21475	1.4
467.45047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
53.13391	0.6
55.01862	2.0
55.05496	2.1
57.03408	1.1
61.02906	1.1
66.49036	0.6
67.05491	2.4
69.03433	12.0
69.07050	2.3
69.42728	0.6
69.86033	0.7
70.96040	1.5
71.04994	1.5
72.83043	0.6
73.02909	1.5
79.05474	2.1
81.03421	11.0
81.07054	4.4
83.04973	2.8
85.02435	1.1
85.02908	15.1
87.00837	7.0
91.05459	2.0
93.07056	2.6
95.04974	1.5
95.08597	4.0
97.02928	4.4
97.06525	0.9
99.04440	3.6
105.01864	2.8
105.07032	4.3
107.04976	0.8
107.08601	7.4
109.02880	7.0
109.06534	5.3
109.10167	3.3
110.65477	0.6
117.01862	1.1
119.08582	3.0
121.06519	1.4
121.10149	13.8
122.07275	2.4
123.08067	3.9
123.11694	2.3
125.05991	0.6
127.03920	10.5
129.01845	0.8
131.08583	0.8
133.07687	0.7
133.10141	10.2
135.08067	3.1
135.11688	1.6
137.09627	20.6
145.04997	3.1
145.10078	0.7
147.11668	1.6
149.09627	7.1
149.13271	6.7
151.11200	22.9
159.02867	3.7
163.14799	0.8
165.12764	37.4
173.13232	2.0
191.14340	10.4
193.15854	2.2
209.15378	100.0
210.15723	1.6
231.04982	1.6
457.15686	0.7
457.23663	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12167	2.0
53.12435	1.8
54.52528	2.0
55.05513	3.2
67.05507	4.4
69.03427	7.5
69.07059	2.7
71.42507	3.9
79.05479	4.2
81.03414	7.4
81.07054	7.1
85.02909	6.8
91.05479	5.4
93.07061	4.1
94.18215	1.8
95.04988	3.4
95.08580	3.0
97.02901	1.9
98.21159	2.0
99.04438	2.4
99.15807	1.9
105.01883	3.3
105.07031	7.1
107.04967	2.8
107.08597	17.6
109.02884	2.0
109.06529	3.5
109.10154	7.4
119.08658	2.3
121.10149	12.4
122.07307	3.5
122.18061	2.2
127.03903	6.7
133.10141	100.0
135.08044	9.8
135.11714	2.0
137.09630	52.9
140.78969	2.1
147.04416	2.0
147.11668	4.0
149.09619	5.0
149.13249	10.8
151.11203	13.5
156.04207	2.1
165.12764	9.2
173.13261	7.3
191.14331	47.3
209.15370	35.6
224.34247	2.2
300.92865	2.3
457.15692	2.1
457.24207	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.3
62.28480	1.5
67.05499	4.1
69.03415	6.1
69.47353	9.6
79.05489	5.4
81.07039	6.4
83.04964	2.9
85.02888	2.4
86.23105	1.5
90.05344	1.6
91.05487	9.1
93.07027	4.0
95.04947	2.5
95.08570	3.7
105.07045	7.4
107.04939	4.8
107.08600	20.8
109.06497	4.4
109.10176	7.4
115.05426	2.6
117.06975	1.8
119.08570	3.5
121.06491	2.6
121.10134	9.7
122.07269	5.6
127.03860	4.6
131.08572	1.7
133.10135	100.0
135.08051	6.8
135.11644	2.0
137.09621	52.9
145.10089	2.1
147.11687	3.6
149.13242	10.8
163.14818	2.5
173.13284	6.0
191.14317	53.4
209.15314	2.3
224.07762	1.5
429.47702	1.7
457.14819	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	457.241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53994	0.5
56.83452	0.5
69.03410	1.1
70.06574	2.2
71.24063	0.5
71.24434	0.8
71.46695	0.5
76.70473	0.5
81.03420	0.9
81.07061	0.6
85.02882	1.2
86.09705	1.0
91.05451	0.8
97.02924	0.5
97.85354	0.5
105.07036	0.8
107.08610	0.8
109.10121	0.6
119.08572	0.6
121.10136	1.0
129.10333	0.5
131.08490	0.7
137.05974	0.7
149.09631	3.4
163.11201	0.6
164.04851	0.5
173.13394	0.5
191.14293	5.5
201.03760	2.1
203.05261	3.0
209.15404	2.2
276.77667	0.5
277.14874	0.6
277.17557	3.2
279.19299	10.8
295.18988	0.6
341.20181	0.5
367.00806	0.6
387.19806	0.9
439.09775	0.8
457.11359	3.2
457.24124	100.0
458.24445	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	457.241
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
51.92270	0.5
69.03441	0.6
70.06592	1.8
71.17721	0.5
71.18047	0.6
72.08146	1.3
84.08147	1.0
85.02902	0.8
86.09690	1.5
102.05558	0.5
109.65717	0.4
111.04272	0.4
129.10252	0.7
135.46631	0.4
149.09637	1.9
173.13258	0.4
191.14316	2.0
201.03609	2.2
203.05302	3.0
209.15373	2.0
240.50098	0.5
277.17770	4.7
279.19299	12.0
295.18744	0.7
339.91351	0.5
439.10248	0.7
439.23123	0.6
457.11285	3.1
457.24127	100.0
458.24548	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	457.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18983	0.3
60.93476	0.4
68.22477	0.3
69.03435	0.7
70.06588	2.2
71.51244	0.5
72.08162	0.7
79.05493	0.4
84.04528	0.4
84.08146	1.0
85.02907	0.6
86.09707	1.8
93.07053	0.5
103.43093	0.3
107.08615	0.4
120.08154	0.5
129.10231	0.5
149.09697	1.6
191.14357	1.6
194.01886	0.4
201.03659	1.9
203.05260	3.7
209.15361	0.9
210.05373	0.5
277.17761	4.0
279.19302	11.7
295.18768	0.6
439.10309	0.5
457.11398	3.0
457.24121	100.0
458.24405	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	457.3679
Annotation	Swinniol
Peak:m/z	Relative Intensity
52.76772	3.2
55.05503	10.7
57.07068	7.0
59.05007	4.0
67.05492	15.2
69.07076	17.5
71.08627	4.9
71.19249	3.5
71.51776	6.8
72.51682	3.9
79.05489	11.0
81.07062	33.3
81.32468	3.3
83.08620	8.9
83.47641	3.2
84.60053	3.4
84.91657	3.0
89.06073	4.1
91.05479	21.0
93.07059	33.8
95.08617	55.2
98.57178	3.6
105.07031	28.0
107.08607	46.6
109.10165	35.6
117.07047	5.0
119.08594	37.2
121.10130	37.0
123.11734	7.2
125.09641	7.4
129.07028	4.7
131.08580	14.8
133.10146	33.2
135.11699	36.2
137.13290	4.3
142.07779	3.8
143.08546	11.7
145.10143	16.4
147.11671	22.4
149.13251	15.2
156.09343	5.3
157.10155	20.4
159.11688	16.0
161.09619	6.7
161.13235	13.5
162.85349	3.6
163.14796	13.8
171.11681	20.3
173.13272	14.8
175.11195	7.9
175.14801	10.1
177.12782	8.8
185.13271	8.2
187.14806	11.3
189.16397	8.6
191.14301	10.7
191.17957	100.0
193.15912	4.8
197.13203	5.4
199.14816	10.0
201.16400	6.2
203.14270	3.9
203.17992	17.9
205.15851	22.3
205.19554	5.5
211.14766	5.1
213.16397	13.5
215.14383	4.4
217.15895	11.2
217.19492	6.6
219.17422	9.4
229.15974	4.7
231.17416	20.8
247.20609	4.2
279.84076	3.4
409.34521	10.4
415.20685	3.6
421.34668	17.7
427.35690	11.3
439.35800	46.1
457.36588	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	457.3678
Annotation	Petatrichol A
Peak:m/z	Relative Intensity
51.71842	3.3
55.05502	12.9
55.54779	5.1
57.07085	5.8
57.90189	3.2
58.43439	3.1
60.05945	3.3
60.58130	3.1
62.02026	3.2
67.05505	18.4
69.07079	20.5
70.82203	7.5
71.04998	8.4
79.05485	15.6
81.07061	38.3
83.04967	7.9
83.08618	9.8
85.06539	3.4
91.05469	24.9
93.07055	37.4
95.04993	6.3
95.08620	62.6
97.06504	6.5
97.10155	4.4
99.08095	4.2
105.07058	44.1
107.04945	13.3
107.08589	51.5
109.10172	36.6
111.08064	4.9
119.05002	4.7
119.08590	35.4
121.10153	39.1
123.08070	6.2
123.11703	15.5
125.09609	5.6
129.06976	4.8
131.08563	12.3
133.06461	3.9
133.10126	30.7
135.07985	3.8
135.11690	34.2
137.13200	5.3
142.07829	5.2
143.08575	7.5
145.10118	16.9
147.11690	29.6
149.09616	4.1
149.13252	12.7
155.08598	4.5
157.10118	16.3
159.11714	21.5
161.09618	4.4
161.13304	19.0
163.11234	4.0
163.14844	12.0
169.10063	6.3
171.11624	16.8
173.13173	8.6
175.11205	6.7
175.14832	17.0
177.12785	7.5
177.16354	5.3
183.11717	4.3
185.13260	8.9
187.14795	16.3
189.12790	8.0
189.16310	8.0
191.14307	9.5
191.17952	100.0
197.13298	4.4
199.14841	10.8
201.16388	10.2
203.14255	6.4
203.17987	19.6
205.15912	21.7
205.19559	5.1
213.16391	6.2
215.14391	4.7
217.15843	8.9
217.19513	11.3
219.17432	11.6
229.15948	5.7
231.17476	25.8
248.75003	3.9
249.18539	6.1
421.34653	19.5
427.35629	13.2
439.35635	41.3
457.36575	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	457.3678
Annotation	Kuguacin B
Peak:m/z	Relative Intensity
53.03937	3.5
55.01883	12.2
55.05508	21.6
57.07073	3.2
59.04993	8.4
65.03896	2.4
67.05511	30.6
69.03432	12.7
69.07073	33.7
71.04998	3.2
73.01303	2.4
78.11581	2.4
79.05499	25.4
81.07058	50.5
83.04970	6.0
83.08608	14.4
85.06535	5.0
91.05489	18.4
93.07047	46.0
95.04983	4.6
95.08615	54.4
97.06529	11.1
97.10168	2.6
105.07040	41.1
107.08598	87.1
109.06507	17.2
109.10159	75.8
111.08083	23.6
111.11698	4.0
117.07014	4.1
119.08587	57.0
121.06484	3.3
121.10151	43.2
123.08090	10.8
123.11737	12.0
125.09657	19.5
129.07005	2.8
131.08585	18.9
133.10138	38.6
135.11682	41.9
137.09621	13.3
137.13240	4.5
139.07558	4.3
139.11162	4.9
143.08572	7.2
145.10123	25.9
147.11688	55.5
149.13234	14.0
151.11147	3.0
153.12727	6.3
157.10147	16.1
159.11722	30.3
161.13271	15.6
163.11215	5.5
163.14832	9.3
165.12750	51.2
171.11708	9.0
173.13249	14.4
175.11234	5.6
175.14842	8.5
178.34764	2.4
183.11736	8.2
185.13301	9.6
187.14799	19.6
191.14320	4.7
191.18004	7.4
193.12265	21.2
193.15848	5.7
197.13271	4.0
199.14836	9.9
201.16380	45.2
203.17955	41.6
209.13361	3.1
211.14813	5.4
213.16246	12.2
215.17982	7.9
221.15373	4.3
227.17961	9.2
229.19521	3.9
231.17439	8.0
237.16338	3.8
239.17804	2.6
241.19580	3.6
249.18558	28.9
251.18024	3.3
253.19525	8.4
255.21147	4.4
257.22644	6.2
267.21036	6.1
269.22678	37.5
281.22629	4.1
287.23831	8.4
293.22720	5.4
305.24799	4.8
317.25076	3.0
321.25842	4.0
329.24658	4.7
392.30820	2.5
403.33600	31.9
421.34637	100.0
422.34967	5.0
425.75497	2.7
439.35995	12.8
457.36874	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	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00729	1.9
54.24661	2.0
55.05511	12.0
57.07074	4.7
67.05511	27.3
69.03420	6.5
69.07068	18.7
71.04995	6.4
71.51102	2.5
71.51485	3.0
72.28274	2.1
79.05492	14.0
81.07056	47.2
83.04992	4.5
83.08607	9.0
85.02903	2.6
85.06533	3.8
91.05489	23.0
93.07045	39.3
95.04986	6.2
95.08609	100.0
97.06519	7.8
97.10171	7.8
99.08074	2.7
105.03410	6.4
105.07033	31.0
107.04308	2.3
107.04973	10.3
107.08600	48.6
108.36897	2.1
108.53278	2.0
109.02878	3.4
109.06546	4.8
109.10157	49.1
111.08077	5.2
111.11707	2.3
113.05996	5.5
117.07027	5.6
119.08580	34.8
121.06533	2.8
121.10156	40.6
123.08054	5.4
123.11716	29.4
125.09652	9.1
131.08597	9.3
133.10139	30.9
135.08101	4.9
135.11697	38.1
135.77480	2.3
137.09637	3.5
137.13278	8.1
139.11154	3.8
141.09120	3.7
143.08592	4.6
143.10677	3.2
145.10143	16.8
147.07956	3.4
147.11711	24.0
149.09605	3.1
149.13264	22.5
151.11166	3.8
153.12737	3.2
157.10138	8.5
159.10378	2.0
159.11713	15.1
161.09616	5.6
161.13280	33.6
162.09210	3.0
163.11226	2.5
163.14809	9.1
165.16371	2.7
171.11681	3.2
173.13274	10.3
175.11185	4.3
175.14851	16.3
177.16386	6.1
179.14346	3.2
183.11707	2.4
185.13377	4.2
187.11073	2.9
187.14816	7.3
189.16498	11.9
191.14470	3.5
191.17958	38.5
199.14839	4.2
201.16412	6.2
203.17928	13.8
205.19479	3.4
207.17540	3.2
213.16467	4.6
215.18054	2.9
217.16010	3.7
217.19594	5.4
221.15434	3.4
231.17458	3.3
235.16953	9.0
247.16911	8.8
249.18471	7.9
336.20636	2.8
380.47787	2.3
421.34531	7.3
439.35806	22.6
457.36935	13.1
459.49097	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3679
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.06741	3.7
55.01863	5.3
55.05525	17.9
55.05743	4.4
57.07061	6.9
65.03941	3.9
66.23969	3.9
67.05510	42.4
69.03421	11.7
69.07064	32.3
71.04976	12.9
75.65638	3.4
79.05512	19.1
81.07059	58.9
83.04980	5.6
83.08609	14.2
83.24232	3.4
85.06530	6.1
91.05470	31.3
93.06491	4.5
93.07041	57.7
95.04967	7.7
95.08614	65.0
97.06531	13.6
97.10154	5.3
98.20753	8.2
105.07035	52.3
107.08603	71.7
109.06532	9.1
109.09470	6.5
109.10160	84.5
111.08067	15.3
111.11727	4.7
113.09564	4.2
117.06998	8.3
119.08578	75.1
121.10149	54.4
123.08100	6.2
123.11714	25.3
125.09655	21.8
129.53601	3.8
131.08554	16.5
133.10126	58.3
135.11690	46.0
137.09631	27.6
137.13258	18.6
143.08507	11.1
143.10593	4.1
145.10115	34.1
147.11700	58.9
149.09576	8.8
149.13269	25.7
151.11151	5.1
155.74588	4.0
157.10133	19.8
159.11710	34.7
161.13246	22.0
163.11182	6.9
163.14815	11.6
165.12761	17.5
171.11646	18.8
173.13297	23.1
175.14853	18.4
177.12790	3.9
177.16377	8.3
183.11639	5.5
185.13297	11.0
187.14809	21.8
189.12813	8.3
189.16400	12.4
191.17938	16.9
193.15884	14.9
197.13283	7.0
199.14845	7.2
201.16373	34.6
203.17970	25.4
207.17485	4.9
213.16335	10.5
215.17976	14.6
217.19492	4.1
227.17993	13.8
229.19397	4.9
231.17400	18.6
245.18922	6.2
249.18463	35.0
253.19487	5.1
257.22687	8.8
267.21045	8.4
269.22583	30.9
287.23633	5.1
293.22583	3.9
311.23703	5.3
325.25043	3.9
338.20682	6.7
395.33350	4.8
403.33640	7.9
421.34695	100.0
439.36166	33.3
457.37064	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3681
Annotation	Kuguacin B
Peak:m/z	Relative Intensity
53.03942	5.7
55.01876	12.0
55.05509	19.5
57.07070	4.1
59.05003	5.9
64.02296	3.1
65.03944	4.9
67.05510	38.2
69.03441	24.0
69.07066	31.4
70.56462	9.1
71.04991	5.7
79.05524	27.4
81.07070	66.3
83.04969	7.8
83.08618	14.2
85.06546	8.7
85.26028	3.6
91.05488	22.1
91.79749	3.6
93.07049	51.0
95.04945	5.2
95.08067	5.1
95.08620	68.9
97.06526	11.2
97.10189	4.9
99.08099	6.8
104.18885	3.6
105.07043	50.1
106.88123	3.6
107.08610	100.0
109.06519	13.6
109.10172	64.2
110.77961	3.8
111.08094	20.1
117.07043	6.1
119.08601	62.2
121.10143	47.0
123.08096	9.6
123.11691	19.9
125.09623	27.3
131.08566	12.2
133.10141	46.5
135.11699	45.0
137.09598	9.3
137.13283	5.5
139.07535	4.9
139.11203	8.5
143.08565	8.1
145.10138	24.4
147.11703	52.3
149.09619	6.6
149.13261	12.5
153.12750	7.4
155.08412	4.3
156.09399	4.2
157.10164	13.6
159.11687	28.4
161.13272	15.3
163.11214	7.7
163.14819	9.3
165.12759	72.7
169.10130	3.4
171.11678	8.3
173.13287	22.6
175.11200	6.7
175.14864	10.9
183.11592	4.2
185.13280	10.3
187.14830	21.5
189.16348	7.7
191.17989	9.3
193.12268	13.7
193.15871	7.2
197.13261	7.5
199.14809	8.7
201.16408	37.6
201.18138	5.9
203.18019	29.9
209.13310	4.1
211.14874	5.2
213.16435	15.0
215.17990	8.9
221.15500	3.5
227.17996	8.4
231.17439	6.6
239.17892	7.2
249.18503	17.8
253.19519	7.6
257.22592	4.8
267.21094	9.7
269.22650	44.1
287.23727	8.9
299.04727	3.6
305.24670	6.3
353.28424	5.1
403.33597	18.4
421.34711	95.1
439.35733	21.0
457.36948	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	6.9
55.86202	6.2
57.03433	6.7
61.02930	10.5
67.05508	43.2
69.03422	28.5
69.07071	13.3
70.70978	16.2
71.04982	8.4
79.05492	14.9
81.03413	9.3
81.07051	40.7
85.02438	8.3
85.02910	100.0
85.06519	5.3
91.05464	17.0
93.07053	24.0
95.04927	8.1
95.08609	42.1
97.02901	32.0
105.07056	18.2
107.08596	12.3
109.02862	12.3
109.10151	23.7
111.08126	6.0
115.05589	6.5
117.07028	8.2
117.07798	6.2
119.08546	12.5
121.10107	12.2
123.11690	17.7
127.03914	21.1
131.08577	10.6
135.11707	7.6
135.72102	6.5
145.04968	33.7
145.10109	8.4
180.08676	23.1
279.23257	11.7
422.22775	7.1
458.37048	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	459.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.2
55.01865	1.2
55.05516	2.6
57.03456	1.6
67.01862	1.2
67.05511	2.8
69.03440	15.6
69.07060	1.6
70.86064	2.7
71.05013	6.0
79.05499	2.7
81.03425	48.8
81.07059	4.8
83.04996	2.5
85.02910	6.4
91.05489	100.0
93.07051	3.5
94.03086	1.1
95.05009	2.2
95.08617	4.6
97.02906	22.7
99.04450	8.5
105.03403	1.4
105.07047	6.0
107.04964	2.6
107.08617	3.7
108.79250	1.0
109.02892	61.3
109.06510	1.3
109.10170	2.5
110.03713	1.9
111.04447	5.1
115.05454	7.3
117.07023	7.8
119.04963	2.5
119.08611	3.2
121.06490	1.7
121.10183	1.8
123.04440	1.5
123.11834	1.4
125.02351	12.8
125.09679	1.2
126.03140	8.4
127.03928	52.5
129.07039	2.4
133.06500	8.4
133.10156	2.6
139.03893	1.6
143.04918	5.9
143.08524	2.6
145.05064	1.4
145.06526	3.3
145.10112	2.2
147.08026	1.3
147.11705	2.1
153.07063	1.7
155.06091	1.7
157.06473	1.4
161.05997	29.5
171.04399	5.6
171.08080	2.6
179.07050	25.3
179.08569	1.9
181.06456	1.7
189.05486	4.1
189.16673	1.1
191.17993	1.5
199.07573	5.0
213.37552	1.2
215.80943	1.1
217.04913	2.6
217.08542	1.4
217.19572	1.3
223.07692	2.3
235.06062	3.8
245.07951	1.4
253.07051	2.0
269.08170	5.6
287.09158	3.9
315.08740	1.3
333.09729	4.6
367.22803	1.3
424.49588	1.2
441.11694	7.0
459.12912	14.9
459.27502	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	459.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89754	1.9
55.05542	2.1
56.46909	2.0
56.96561	10.6
61.02929	2.8
69.03432	6.6
70.06587	5.9
71.04979	2.0
72.08163	4.1
72.93810	2.0
81.03423	4.8
84.03157	1.7
84.04485	2.1
84.08144	9.0
84.96014	2.1
85.02914	11.8
91.05492	4.2
93.16345	1.8
97.02892	13.5
98.21638	4.0
98.97596	32.3
100.00112	5.7
101.00877	13.2
107.04942	7.7
109.02864	4.6
110.07133	1.9
110.97586	11.9
112.99162	2.0
113.00877	3.8
116.98664	9.9
118.01118	7.0
119.01920	14.1
119.04932	5.7
122.07173	6.2
123.07961	3.1
127.02454	2.7
127.03935	6.5
128.98615	6.6
131.01927	11.5
132.95828	2.3
137.05014	3.8
137.05981	40.9
142.01146	6.9
143.00157	2.4
143.01913	15.3
145.03447	7.9
146.99683	4.7
147.04381	13.1
155.01895	12.0
156.02682	7.9
158.99667	8.8
160.02162	4.5
161.02965	24.7
165.05519	2.6
168.02702	4.9
170.99634	5.0
172.02199	3.1
173.02933	11.2
174.03777	4.1
177.00737	6.9
177.04027	6.6
178.01166	5.5
181.03465	8.4
184.02269	2.8
185.02983	3.2
186.03732	4.8
189.00732	4.0
191.03993	2.5
191.59537	2.2
194.04193	3.4
195.05077	14.9
196.02165	10.0
197.03004	4.3
199.04594	2.5
201.00778	4.8
203.02330	2.7
203.03963	12.1
205.03450	4.9
206.04233	2.6
210.03773	4.3
218.04308	5.5
219.01833	11.7
219.05028	32.9
221.03065	4.8
221.05057	24.5
222.03757	9.1
223.04562	7.9
231.05118	5.1
233.06535	2.6
234.03622	2.1
236.05316	4.6
237.02779	14.3
237.06075	26.2
240.04774	5.5
241.03604	4.9
244.04306	100.0
245.04915	7.7
246.03703	5.1
247.04604	8.4
248.05556	2.3
249.06102	7.6
259.04541	8.6
260.05103	2.6
261.03345	3.0
261.06055	18.6
262.05447	7.6
264.04764	13.5
267.07391	3.2
273.06189	2.8
279.00269	7.2
279.03860	5.3
279.07056	20.0
280.07083	3.1
288.04865	3.8
289.05716	2.5
291.07147	8.6
297.07953	11.6
300.04733	3.8
303.07224	3.0
307.06598	23.9
309.08267	6.9
320.07434	4.1
321.08228	19.5
329.05627	5.4
331.06659	2.3
336.06882	16.6
348.02643	3.3
348.06900	70.9
349.07617	6.2
351.09454	10.0
363.09256	35.4
366.07922	8.5
369.10284	11.3
381.10324	91.9
382.10483	2.8
387.11258	2.9
399.11398	59.9
400.11649	2.5
411.11472	4.2
417.11981	5.1
459.13538	18.6
459.26358	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	459.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01867	9.1
55.05515	5.3
57.07077	2.4
65.03948	2.6
67.05506	7.3
67.28394	2.3
69.03429	5.6
69.07064	5.1
70.76290	5.5
73.21824	2.3
79.05500	9.4
81.03418	8.7
81.07066	13.6
81.62237	2.6
85.02893	3.4
85.06492	2.7
88.36774	2.5
91.05489	20.3
93.07056	11.7
95.04969	5.0
95.08602	14.5
97.02915	2.5
97.72251	2.3
103.05474	6.6
105.07042	10.8
107.04955	12.1
107.08591	13.2
109.02891	8.5
109.10143	11.4
110.03647	2.8
111.04441	3.3
115.05463	6.4
117.07031	4.1
119.08591	7.7
121.10149	9.7
122.03633	2.1
123.04444	6.3
123.11713	5.5
124.71012	2.1
125.02383	2.2
125.06007	4.6
127.03926	9.1
129.06993	2.2
131.04906	8.2
133.10156	4.7
135.11696	4.5
137.05971	14.4
137.13246	2.2
143.04941	3.0
145.06535	6.0
145.10130	3.8
147.04492	3.2
147.08101	2.0
147.11665	5.4
149.13312	4.9
151.03972	4.0
151.07547	9.9
153.05461	11.5
159.04393	2.9
159.11682	4.5
161.05998	10.8
161.13260	3.1
163.03943	3.9
165.05573	3.6
165.06912	4.6
165.09174	2.4
167.07054	35.8
172.05173	3.6
173.05969	3.6
173.13199	3.5
175.07584	9.5
175.14850	4.4
176.04657	2.6
177.05472	5.5
177.06927	3.2
178.07837	4.6
179.07050	7.7
179.08519	2.9
181.04927	3.7
187.07579	5.6
189.06996	4.0
189.16347	3.8
190.06108	2.4
190.07703	3.8
191.06982	5.5
191.08563	4.1
191.17935	14.5
193.06599	3.3
203.07048	9.7
203.17975	3.4
205.04889	3.9
205.06535	7.3
206.07385	3.3
207.08118	7.3
209.07980	3.4
211.07513	2.9
211.17377	2.4
215.07048	8.1
217.06517	4.2
218.05107	2.3
218.07314	3.9
219.08130	12.0
220.08760	3.7
221.05994	9.0
222.06818	2.8
223.07591	2.9
231.08049	5.1
233.06017	6.3
234.06676	5.6
235.07579	12.4
236.08311	5.7
237.05611	2.7
237.09129	3.4
239.06911	2.6
239.09131	5.8
246.06883	5.3
247.07533	14.7
248.08333	4.2
249.05431	6.3
249.09129	5.2
250.06241	5.8
251.07088	8.3
252.07895	4.3
253.08661	6.5
259.07632	4.7
260.08377	3.3
261.05493	4.1
261.09128	8.3
262.06363	4.7
263.07050	15.0
264.07852	14.9
265.08594	6.5
266.09311	2.5
267.10065	3.5
273.05908	2.9
274.06311	5.2
275.06927	7.6
276.07849	8.8
277.08505	11.3
278.09439	4.0
279.06610	6.2
279.10141	8.3
280.07315	3.2
281.08154	9.8
287.07196	3.3
289.08588	10.7
290.06009	2.7
290.09265	3.9
291.06531	10.8
291.10220	9.0
292.07397	9.4
293.08127	11.7
294.08865	4.8
295.06107	2.6
295.09598	4.7
303.10022	4.5
304.07202	6.1
305.08148	12.8
306.08859	10.2
307.09579	18.5
308.06836	3.5
308.10233	3.7
309.07602	8.5
309.11176	6.1
318.08734	4.3
319.09631	8.8
320.06772	4.2
320.10394	3.8
321.07767	4.5
321.11331	7.7
322.08469	4.2
322.12076	8.1
323.09073	12.9
323.12515	3.1
324.09973	4.2
331.09723	3.7
334.12283	3.6
335.09091	19.4
335.12424	2.4
336.09961	7.9
337.10687	20.9
338.11542	4.2
339.12308	10.7
340.13138	3.5
349.10834	21.0
350.11423	20.3
352.13062	16.4
353.10239	10.5
355.11777	42.5
356.12656	6.8
367.11792	100.0
368.12549	32.9
393.13309	7.0
399.14206	3.5
411.14365	5.9
423.14352	15.8
429.15378	5.4
441.36987	4.6
459.16556	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
53.94752	4.9
54.38943	4.3
55.01877	5.9
55.05500	11.5
57.03429	4.9
61.01131	6.5
61.02908	7.9
63.30668	4.7
67.05517	24.1
69.03432	29.6
69.07066	12.3
69.47931	35.6
70.06599	61.2
73.02913	5.2
79.05475	5.4
81.03419	23.4
81.07059	29.6
83.04958	9.1
83.08627	8.2
84.04493	7.2
85.02914	59.2
85.06542	9.4
86.09734	7.8
87.00832	19.8
91.05500	7.5
93.07052	14.7
95.08616	45.3
97.02889	14.7
98.20733	4.8
98.21304	18.5
99.04459	14.4
99.08073	5.6
105.01862	16.1
105.07025	8.9
107.08622	22.9
109.02879	23.8
109.06516	16.4
109.10165	93.0
118.06863	20.2
119.08575	26.4
121.10157	16.4
123.08054	11.3
123.11728	10.4
127.03945	31.4
130.06488	8.2
133.10173	26.4
135.11700	64.0
137.09634	21.8
145.04950	20.7
148.06070	9.6
151.11179	10.3
151.14841	10.4
159.02890	7.8
159.09232	8.9
163.09042	5.6
175.14827	40.2
182.00999	4.5
193.15909	75.6
211.16959	100.0
274.12183	9.5
352.24826	4.6
447.13361	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.0
53.94752	4.9
54.38943	4.3
55.01877	5.9
55.05500	11.5
57.03429	4.9
61.01131	6.5
61.02908	7.9
63.30668	4.7
67.05517	24.1
69.03432	29.6
69.07066	12.3
69.47931	35.6
70.06599	61.2
73.02913	5.2
79.05475	5.4
81.03419	23.4
81.07059	29.6
83.04958	9.1
83.08627	8.2
84.04493	7.2
85.02914	59.2
85.06542	9.4
86.09734	7.8
87.00832	19.8
91.05500	7.5
93.07052	14.7
95.08616	45.3
97.02889	14.7
98.20733	4.8
98.21304	18.5
99.04459	14.4
99.08073	5.6
105.01862	16.1
105.07025	8.9
107.08622	22.9
109.02879	23.8
109.06516	16.4
109.10165	93.0
118.06863	20.2
119.08575	26.4
121.10157	16.4
123.08054	11.3
123.11728	10.4
127.03945	31.4
130.06488	8.2
133.10173	26.4
135.11700	64.0
137.09634	21.8
145.04950	20.7
148.06070	9.6
151.11179	10.3
151.14841	10.4
159.02890	7.8
159.09232	8.9
163.09042	5.6
175.14827	40.2
182.00999	4.5
193.15909	75.6
211.16959	100.0
274.12183	9.5
352.24826	4.6
447.13361	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	2.4
67.05510	0.7
69.03434	0.8
69.07080	6.8
69.58429	2.9
70.06598	1.1
74.06081	7.6
81.03418	0.7
81.07038	0.8
84.08144	0.6
85.02901	1.2
86.00582	0.5
86.09709	100.0
87.10017	0.5
93.07039	0.8
95.08648	0.8
97.07673	1.0
98.06070	1.3
98.14905	0.4
107.04889	0.5
107.08585	0.7
109.10146	0.8
114.09164	0.5
116.07128	1.4
119.08574	0.6
121.10173	0.8
126.05527	8.3
127.03934	0.9
132.10196	0.9
133.10162	1.6
135.11703	0.9
137.06068	0.5
137.09651	0.6
140.02003	0.4
141.10231	0.5
144.06578	0.7
149.13196	0.7
151.11263	0.7
152.11517	0.8
153.06592	3.6
153.10031	0.4
157.13376	8.3
165.12721	0.8
167.07085	1.5
169.09727	1.0
180.17770	0.5
185.12880	3.7
197.09222	16.0
202.53026	0.5
209.15440	1.2
210.15762	0.9
211.15895	0.6
215.10287	6.5
245.18648	5.3
300.19211	8.0
300.22653	0.6
328.18671	3.5
339.12384	0.5
397.24640	0.5
459.16721	0.6
460.33035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.5
55.01855	4.4
55.05513	15.4
57.07063	4.7
59.04536	2.5
59.04986	7.1
67.05231	2.6
67.05509	28.3
69.03425	7.9
69.07072	21.8
69.65449	7.0
69.65861	9.5
71.04996	6.0
79.05489	18.9
81.03411	15.1
81.07056	53.3
83.04991	6.0
83.08607	11.6
85.06535	8.9
87.04449	3.2
91.05492	56.9
93.07049	50.4
95.08616	86.3
97.02876	8.2
97.06512	6.5
97.10144	6.2
99.04465	5.0
105.07036	30.6
107.08604	61.5
109.02902	24.1
109.06501	3.9
109.10159	55.3
111.04441	4.1
111.08059	2.8
113.05979	6.0
115.05476	4.2
115.07592	4.7
117.06995	7.8
119.08587	38.2
121.06432	2.6
121.10149	48.1
123.08094	2.9
123.11710	28.4
123.25339	2.7
125.02350	4.9
125.09601	4.5
126.03098	5.3
127.03919	19.7
129.35252	2.7
131.07094	3.1
131.08546	9.4
133.10126	23.9
135.11696	50.3
137.13246	17.8
141.09105	4.1
143.10712	2.9
143.54172	2.6
145.10117	13.5
147.11720	22.5
149.13263	38.8
151.14828	4.4
157.10103	2.9
159.10374	5.2
159.11682	21.0
161.05957	9.0
161.13254	19.7
163.14836	18.0
165.16428	2.6
171.04434	3.9
171.11771	3.2
173.13283	9.9
175.14792	21.1
177.16441	4.7
179.07066	9.5
187.14856	5.7
189.16393	11.9
191.17964	100.0
201.16391	8.7
203.18048	12.8
205.19476	12.2
215.17905	5.3
217.15929	4.6
217.19492	13.6
219.20993	3.0
231.17392	3.7
233.18985	4.1
257.22696	4.5
266.69482	2.8
287.08951	2.8
341.31970	3.0
367.33334	4.3
423.35992	4.2
441.37335	15.6
459.12708	8.6
459.38483	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	459.3837
Annotation	Salvinemorol
Peak:m/z	Relative Intensity
53.03930	2.6
55.05503	11.2
57.07066	6.2
60.22431	2.3
62.87625	2.4
67.05512	13.7
69.03426	10.8
69.07069	22.8
70.64328	5.0
70.64728	5.7
71.04977	6.1
79.05495	9.7
81.07052	25.0
81.86543	2.3
83.08604	7.0
85.06554	4.5
89.06014	2.7
91.05502	12.3
93.07050	39.6
95.08620	44.2
97.06514	5.1
97.10193	4.6
99.08077	4.6
103.20256	2.5
105.07054	23.5
107.08599	55.9
109.10168	30.7
111.08051	5.5
117.06974	4.0
119.08592	31.7
121.10152	47.3
123.11697	18.2
125.09649	23.7
125.12105	2.9
127.11169	5.5
131.08589	9.8
131.82364	2.5
133.10144	45.4
135.08075	3.1
135.11691	27.8
137.13254	8.4
139.11160	6.0
143.08623	2.7
143.10674	8.6
145.10124	21.1
147.11702	30.9
149.13271	39.8
151.07538	5.0
157.10104	5.8
159.11711	24.4
161.12134	2.5
161.13226	13.3
163.14807	8.1
171.11766	6.9
173.13239	9.1
175.14778	7.4
177.16405	10.0
179.14319	2.9
183.13843	2.7
185.13216	5.2
187.14854	16.2
189.16394	15.8
191.10698	15.0
191.17932	14.3
193.15860	4.0
199.14832	5.6
201.16431	28.4
203.17976	25.5
205.15852	7.3
207.17403	10.0
211.16982	7.3
213.16403	11.3
215.17970	8.5
217.15942	5.1
217.19559	3.3
221.19017	3.1
227.18059	16.2
229.19504	6.4
233.19017	15.0
241.19484	3.9
243.21063	4.3
251.20041	14.4
255.21100	4.5
281.22604	3.3
283.24268	9.7
405.35031	7.6
416.61478	2.5
423.36243	100.0
441.37485	19.2
459.32138	2.6
459.38678	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	459.3836
Annotation	Primulagenin A
Peak:m/z	Relative Intensity
53.76739	3.5
55.01868	5.1
55.05512	19.0
57.03416	3.2
57.07077	6.1
59.04998	12.3
67.05506	27.6
67.34634	2.3
69.03426	14.1
69.07072	49.5
69.94174	9.3
69.94584	5.9
71.05006	4.6
79.05500	19.2
81.07068	44.4
83.08611	20.8
85.06506	3.6
91.05467	20.9
93.07047	48.4
95.08064	5.1
95.08610	56.9
97.06538	14.4
97.10165	8.9
98.21432	3.1
99.08111	3.6
105.07037	32.7
107.08597	73.3
109.06525	5.3
109.10164	55.9
109.10873	1.8
111.08099	12.6
111.11714	5.0
115.93412	2.6
117.07020	3.4
119.08588	39.7
121.10143	57.6
123.08083	2.9
123.11707	25.3
125.09624	20.2
125.33428	3.1
126.44135	3.4
131.08585	12.5
133.10129	29.0
134.95055	2.5
134.98138	4.4
135.11700	30.2
137.09554	3.4
137.13272	10.4
139.11188	6.9
143.08522	8.6
145.10098	25.0
147.11691	25.9
149.13254	46.2
157.10132	12.4
159.11688	35.3
161.13219	13.9
163.14821	9.2
163.63632	3.1
167.14339	16.8
169.10103	4.0
171.11702	10.3
173.13278	12.9
175.14792	14.9
177.16414	10.6
185.13295	10.0
185.85905	3.1
187.14801	20.0
189.16458	6.5
191.17937	5.7
197.13210	3.8
197.85680	2.8
199.14824	10.0
201.16411	35.7
203.17957	34.1
211.14821	5.9
213.16403	12.2
215.17938	11.7
217.19606	3.2
227.17885	18.9
233.19022	22.9
235.20625	3.9
241.19492	3.3
251.20160	5.7
253.19467	7.1
255.21033	3.5
257.22653	7.7
264.56403	2.7
269.22656	25.4
281.22620	4.4
287.23856	5.0
291.53348	3.4
309.22025	2.8
309.25671	2.8
323.27567	3.2
398.97076	3.1
405.35229	6.8
423.36240	100.0
424.36310	4.5
441.37674	13.3
459.38293	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	459.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.8
55.01862	8.0
55.05302	1.8
55.05510	19.3
57.03437	5.4
57.07061	6.4
59.04984	4.3
63.92551	1.6
63.92966	1.6
65.03938	4.8
67.05177	2.8
67.05509	39.5
69.03443	12.6
69.06735	2.2
69.07076	31.6
70.06594	2.8
71.04991	6.3
71.51477	3.7
75.04462	4.3
76.54372	2.0
79.05082	2.0
79.05503	25.3
81.02991	2.8
81.03428	37.5
81.06594	4.0
81.07063	72.2
83.05008	11.8
83.08619	14.7
84.08135	2.7
85.02898	8.2
85.06539	11.7
87.04440	2.5
90.86929	2.1
91.05486	87.6
91.21194	2.1
93.07047	49.1
95.04966	7.6
95.08613	100.0
97.02917	13.3
97.06523	10.2
97.10183	10.5
99.04446	5.5
99.08092	4.5
103.05457	2.8
105.07039	39.4
107.04941	10.5
107.08599	66.1
109.02885	52.0
109.06503	4.8
109.10168	54.9
110.03685	2.5
111.04435	5.6
111.08060	2.6
111.11695	4.2
113.05999	7.8
113.09643	2.3
115.05435	6.9
115.07561	3.8
117.07025	12.1
119.04989	2.7
119.08600	36.4
121.02890	2.1
121.06500	4.4
121.10154	51.2
121.11031	2.6
123.04431	2.8
123.08060	4.8
123.11707	33.1
125.02346	12.3
125.09634	7.1
125.13204	2.3
126.03124	7.8
127.03922	37.4
127.11177	2.8
129.06998	4.7
131.04942	3.1
131.07037	5.3
131.08540	10.4
133.06499	5.8
133.10130	29.9
135.08066	2.5
135.11696	46.9
137.06017	10.5
137.13275	20.6
141.09113	5.9
143.04958	3.9
143.08510	4.2
143.10674	4.4
144.63103	1.9
145.06503	7.6
145.10161	12.9
147.08015	2.9
147.11702	24.1
149.09576	3.0
149.12202	3.1
149.13274	42.0
151.07457	1.9
151.11143	1.9
151.14850	2.7
153.09167	2.0
155.08453	2.0
156.41742	2.0
157.06531	2.1
157.10152	4.2
159.08159	2.7
159.10164	9.7
159.11688	20.3
161.06000	24.2
161.09621	2.6
161.13261	23.9
163.11153	4.7
163.14841	16.2
165.09163	6.5
167.07056	4.1
171.04402	5.6
171.11729	3.1
173.09506	2.6
173.13261	12.1
175.14864	16.4
177.16432	9.0
179.07060	19.3
181.10095	2.5
181.12129	1.8
183.11690	2.8
185.13188	4.1
187.14827	10.0
189.16367	13.0
191.17957	88.2
192.18317	2.5
193.15926	3.8
199.07451	5.9
199.14818	4.6
201.16365	7.6
203.17981	9.8
205.16011	2.4
205.19563	11.8
215.17949	5.0
217.04982	2.8
217.15897	4.1
217.19516	13.5
219.20905	2.5
223.07596	2.2
229.19437	3.2
231.17474	3.0
231.21039	3.7
233.19054	3.0
235.05803	3.2
243.20872	1.9
249.18469	2.4
251.06920	2.7
257.22681	5.6
269.07947	2.7
287.09116	4.7
329.32016	2.3
333.09863	2.4
355.12033	2.1
367.11667	6.7
367.22717	5.8
383.32861	2.9
385.23593	8.9
423.36545	9.9
428.49988	1.9
441.11795	6.0
441.26578	2.1
441.37656	13.1
451.33530	2.2
459.12512	10.6
459.27960	14.5
459.38623	27.5
464.75671	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.4
57.07077	7.3
64.71850	5.4
67.05495	19.9
69.03426	5.3
69.07070	44.4
71.05003	5.1
79.05489	22.6
81.07056	51.3
83.08629	13.4
83.52186	4.8
85.06548	5.4
88.83665	4.7
89.06022	4.6
91.05499	24.2
93.07058	49.2
95.08607	85.1
97.06532	8.3
97.10171	7.8
99.08074	6.4
105.07037	47.8
107.04972	10.0
107.08600	93.1
109.10169	45.8
119.08593	71.6
121.10131	71.3
123.08126	5.3
123.11697	19.4
125.09600	6.8
131.08594	6.5
133.10136	57.6
135.11684	50.2
137.13222	8.7
139.01036	4.2
144.09396	5.6
145.10123	13.0
147.11658	34.4
149.13240	15.4
157.10091	5.3
159.11688	19.6
161.13263	28.6
163.14807	20.5
173.13246	7.3
175.14816	37.2
177.16391	58.8
187.14867	13.4
189.16382	50.9
191.17937	45.0
199.14822	6.1
201.16360	34.6
203.17966	80.3
215.17870	23.0
217.19521	17.1
219.17401	4.9
233.19009	100.0
242.19922	5.2
243.21046	4.8
251.20006	14.7
279.23251	5.4
280.14304	4.2
315.23230	18.7
347.64374	5.0
375.46240	5.3
388.89661	4.7
405.35184	12.3
423.36108	24.7
430.77872	4.8
431.37317	5.1
441.37341	54.7
459.44818	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	459.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01863	5.9
55.05517	19.3
57.03426	4.1
57.07066	7.3
59.04984	3.5
63.67031	1.9
65.03909	3.4
65.97050	1.9
66.23010	2.0
67.05511	31.0
69.03418	5.8
69.07067	25.4
70.06592	3.9
71.04987	4.8
71.08643	2.3
71.51248	2.4
75.04469	7.4
79.05490	20.6
81.03398	7.1
81.06590	3.8
81.07061	72.3
81.50362	1.7
82.08936	1.7
83.04982	9.2
83.08616	12.6
84.04526	2.3
84.08135	6.2
85.02876	4.7
85.06539	7.9
87.04465	4.3
91.05479	25.0
93.06487	3.2
93.07047	47.5
95.04956	6.4
95.08612	99.4
97.02885	3.5
97.06516	7.6
97.10165	8.0
99.08101	4.1
103.05457	4.0
105.07035	38.7
107.04968	8.5
107.08598	61.7
109.02879	7.1
109.06519	4.4
109.10165	57.4
111.04459	2.1
111.08088	3.5
111.11726	2.9
113.05998	7.7
113.09581	2.0
115.05459	3.0
115.07574	4.7
117.07004	6.2
119.04866	2.7
119.07809	3.4
119.08590	42.7
121.06497	2.4
121.10151	57.5
122.03590	2.5
122.10451	2.2
123.04441	2.3
123.08079	7.7
123.11709	32.7
125.09639	5.1
127.03929	4.8
129.06999	1.9
131.04941	2.9
131.07085	3.6
131.08600	10.0
133.06544	2.7
133.10136	28.1
135.10712	3.7
135.11705	59.1
137.05992	34.2
137.13229	18.1
139.11188	2.3
141.09106	8.0
143.08614	4.5
143.10672	4.0
144.09367	2.4
145.10138	15.0
147.04431	2.7
147.11682	25.9
149.06004	2.4
149.13260	41.8
151.03896	5.1
151.07518	4.6
151.11252	2.1
151.14787	3.0
157.10088	3.8
159.08055	2.2
159.10175	9.7
159.11688	19.1
161.05965	5.8
161.09540	2.3
161.13260	21.0
162.13669	2.0
163.07396	2.2
163.14798	19.2
165.09142	2.1
167.07028	12.9
171.11740	4.3
173.13248	9.5
175.07602	2.3
175.14798	20.5
177.05426	3.1
177.16399	8.5
181.04979	4.3
185.13228	4.9
187.14786	5.1
189.06920	2.2
189.16345	14.9
191.06935	1.9
191.14355	2.9
191.17955	100.0
192.18301	2.9
193.15910	2.7
193.19556	2.1
197.13220	1.8
199.14816	3.6
200.12910	2.2
201.16382	7.9
203.06993	2.7
203.14409	2.1
203.17984	12.7
205.19524	14.7
213.16350	3.3
215.17928	6.7
217.15796	3.6
217.19466	10.9
219.07936	2.1
219.21045	2.3
227.17847	3.4
229.19255	2.0
231.17410	3.5
231.21089	2.5
233.18845	3.9
239.09146	3.2
239.61211	2.1
243.20966	2.3
257.22632	3.9
258.97748	1.8
263.06796	2.7
265.08701	2.4
277.08578	2.3
306.37659	2.2
319.09573	2.4
337.10767	2.2
341.32056	2.4
355.11621	2.6
367.11731	8.2
367.33524	2.5
368.12234	2.6
372.21930	2.2
383.33270	3.9
423.36237	6.8
429.15601	3.2
441.37262	18.7
459.16708	14.1
459.38495	32.0
460.16599	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01881	2.2
55.05511	15.8
55.37833	1.1
57.03428	4.0
57.07078	6.8
59.05000	4.8
60.22560	1.0
65.03945	1.9
67.05510	27.8
69.03434	4.4
69.07069	22.3
69.63052	3.1
69.63451	3.4
71.05003	2.3
75.03053	1.3
75.04474	3.7
79.05498	18.6
81.03433	1.7
81.07063	53.6
83.04985	4.3
83.08620	11.5
85.02901	1.5
85.06550	7.8
87.04477	3.4
88.42846	1.1
89.77303	1.1
91.05482	18.0
93.07051	43.9
93.07646	2.2
93.85315	1.2
95.04961	4.7
95.08611	82.1
97.02886	2.5
97.06548	6.6
97.10184	6.8
99.08112	2.7
101.05997	1.5
105.07041	29.4
107.04964	1.6
107.08604	62.4
109.02855	1.6
109.06532	2.8
109.10168	51.9
111.08102	2.8
111.11753	2.3
113.06017	6.2
113.09681	1.2
115.07594	4.9
117.07057	4.0
119.08587	33.5
121.10152	47.2
123.08064	5.4
123.11717	24.3
125.09653	3.0
127.03944	2.4
131.07039	3.3
131.08577	8.3
133.10136	22.4
135.11702	46.8
135.12737	2.4
137.05994	1.9
137.13248	13.6
141.09096	5.9
143.08565	1.9
143.10709	3.9
144.09390	2.0
145.10117	11.4
147.11687	22.6
149.13269	31.3
151.14883	2.8
153.12701	1.2
157.10136	4.7
159.10214	7.6
159.11720	18.3
161.13271	20.1
163.14830	14.2
171.11674	2.2
173.13297	10.6
175.14828	14.4
177.16412	8.0
187.14845	6.0
189.16368	14.1
191.17961	100.0
192.18370	2.1
193.15942	2.0
199.14839	1.8
201.16379	6.1
203.14270	1.6
203.17947	11.2
205.19514	11.0
213.16438	3.1
215.17963	7.6
217.15913	3.9
217.19550	14.4
219.21136	1.8
229.19562	2.3
231.17525	3.2
231.21095	2.0
233.18968	2.8
243.21185	2.3
257.22665	5.1
267.19571	1.5
315.16165	1.1
329.32086	2.2
367.33621	3.3
383.33151	2.6
394.72403	1.3
405.34882	1.3
423.36209	6.1
441.37372	14.3
459.38388	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	460.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.4
55.01876	9.8
55.05532	0.9
55.76914	0.8
57.03449	6.1
61.02933	5.0
68.99803	4.5
69.03434	33.2
69.43530	5.2
69.43945	2.1
70.06589	0.9
71.04987	4.5
73.02925	7.5
79.05522	1.3
81.03423	27.1
83.01346	1.6
85.02910	80.1
87.00838	32.1
87.01305	0.7
91.03939	2.8
91.05444	1.4
93.03429	1.0
97.02895	32.4
98.06099	1.1
99.04468	13.8
103.05469	5.2
105.01875	30.7
105.02578	1.8
105.07034	2.6
107.04974	9.1
108.04480	11.4
109.02891	31.6
117.01839	4.9
126.05518	5.6
127.03926	59.4
129.01843	3.4
131.04944	1.6
135.08069	7.8
139.03900	4.0
145.03973	1.0
145.04968	27.1
147.02921	2.5
154.06253	29.2
159.02908	18.4
163.07568	25.6
167.07065	1.1
189.03815	1.5
193.08572	1.1
195.10184	100.0
196.10580	1.7
213.03908	2.5
230.06619	4.0
231.05043	12.9
248.07648	6.2
249.05911	0.9
253.67757	1.0
266.08661	2.0
285.11237	1.5
303.12146	1.1
358.47885	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1442
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
52.05220	0.4
53.03943	1.4
57.03421	0.5
69.19298	3.6
70.06591	0.5
77.98114	0.4
79.05495	1.7
81.03437	0.6
85.02861	0.5
95.04975	0.8
97.02896	0.8
105.04549	0.5
107.04956	100.0
108.05291	0.8
109.02871	0.8
111.40494	0.4
116.00652	0.4
137.06029	0.6
146.24017	0.4
161.06026	0.6
164.07098	0.5
165.00592	0.5
165.01797	1.9
176.97508	0.4
177.05379	0.5
183.02950	0.5
187.04335	0.5
189.05444	2.7
193.05096	0.8
203.07066	1.6
204.04388	0.5
205.04967	17.4
206.05753	1.1
217.04913	3.5
219.06522	0.4
227.07054	0.8
229.05052	0.6
230.05688	0.8
231.06499	6.0
234.05231	0.5
235.06012	12.1
243.06528	0.7
244.07344	0.6
245.08078	2.7
255.06622	0.5
259.06094	2.2
271.05960	2.3
282.05365	0.7
283.06064	1.4
299.09140	1.4
301.07065	1.4
311.09140	38.3
312.09576	1.2
323.09174	1.8
324.54071	0.4
335.09045	0.6
337.10602	2.7
341.10202	33.1
342.10437	0.5
351.12308	3.6
355.20633	0.4
361.10706	1.0
365.10205	21.5
366.10690	1.1
377.10220	4.8
379.11856	0.9
389.10254	5.4
395.06567	0.4
395.11243	11.1
396.64105	0.4
407.11243	10.1
407.16531	0.7
408.11548	0.5
424.27496	0.4
425.12277	9.6
443.13373	4.6
461.14648	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1444
Annotation	Isoembigenin
Peak:m/z	Relative Intensity
53.03948	1.2
55.01870	0.7
70.06590	0.6
71.47713	0.6
79.05483	1.4
81.03416	0.6
84.08153	0.4
85.02898	1.1
89.04992	0.4
89.06016	0.4
90.57375	0.3
95.04967	1.3
105.04548	0.5
106.66783	0.4
107.04961	100.0
108.05305	0.9
131.04932	0.9
137.05908	0.5
145.49603	0.4
149.05975	0.4
165.01823	0.9
165.05495	0.7
177.05522	0.4
189.05447	0.5
192.04343	0.5
193.04965	0.7
205.04974	12.5
206.05756	5.2
216.04008	0.5
217.04970	2.7
219.06520	2.0
230.05905	0.6
231.06546	1.2
233.04523	0.7
234.05185	0.6
235.06029	16.0
235.08441	0.8
243.02832	0.9
245.08133	3.1
247.06032	0.7
259.06021	4.9
261.03802	0.4
265.07254	0.6
273.07608	1.2
289.07111	1.3
299.09198	0.9
301.07056	1.5
311.09128	10.8
312.09796	0.5
319.08133	1.4
323.09085	2.2
325.10635	0.5
339.08560	0.7
341.10223	18.3
351.12302	0.4
353.10049	0.6
365.10251	6.4
371.11209	1.1
379.11914	0.9
383.11279	0.7
395.11267	8.4
407.11230	3.5
425.12357	11.8
426.12747	0.5
443.13409	20.6
444.13480	0.5
461.14453	25.2
462.14832	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.9
51.33295	2.0
53.03944	6.5
55.01875	11.7
55.05515	38.8
57.03451	12.5
57.07079	2.8
59.05015	2.3
65.03938	6.6
67.05508	80.2
69.03416	4.8
69.07075	29.8
70.56792	6.0
71.04996	8.0
77.90943	1.7
79.05499	74.4
81.03423	5.5
81.07061	79.4
83.04961	9.0
83.08620	18.9
85.02930	2.6
85.06546	6.3
91.05486	100.0
92.05824	2.6
93.07053	55.5
95.04977	18.1
95.08614	46.0
97.06528	5.0
97.10186	7.7
99.04496	1.9
103.05497	6.6
105.03419	1.9
105.04532	2.6
105.07038	68.0
107.04961	17.9
107.08600	29.4
109.02905	3.4
109.06531	11.7
109.10158	18.3
111.08115	4.9
113.00086	1.8
115.05444	9.4
116.06295	2.9
117.07027	51.1
117.07858	2.8
119.04973	5.9
119.08597	39.1
120.56702	2.1
121.06535	16.5
121.10144	21.9
123.08079	11.2
123.11793	3.4
125.09663	7.2
127.03934	2.0
128.06223	16.9
129.07018	52.8
130.07799	3.9
131.04932	4.9
131.07599	3.7
131.08578	74.2
131.09529	4.0
133.06537	12.7
133.10147	25.0
135.08044	12.2
135.11714	7.5
137.05994	6.0
137.09622	7.3
141.06992	21.5
142.07817	10.0
143.08572	45.8
145.06491	17.8
145.10136	37.2
145.11269	2.6
147.08093	15.3
147.11711	10.3
149.09628	12.5
151.07556	2.9
151.11218	3.5
152.06216	2.1
153.07092	3.9
154.07808	4.0
155.06116	2.0
155.08557	27.3
156.09354	3.2
157.06523	5.6
157.10127	23.7
159.08107	8.3
159.11693	16.3
161.05981	3.9
161.09657	8.4
161.13243	2.4
163.07664	3.0
163.11234	7.9
164.11476	2.4
165.07069	6.3
165.09190	2.6
167.07310	2.7
167.08556	9.5
169.10115	23.0
169.74736	1.7
170.10822	2.2
171.08145	7.4
171.11690	18.5
173.09650	6.5
173.13315	6.8
175.11243	6.2
177.09203	2.4
177.12849	2.4
179.08557	6.6
181.10104	14.0
182.10919	2.9
183.08052	4.3
183.11682	14.4
185.09634	6.1
185.13274	14.7
187.11209	4.0
187.14911	3.5
189.11246	2.9
189.12778	4.1
191.10664	2.1
193.10182	7.1
193.12378	1.9
194.11032	2.2
195.11700	14.2
195.13353	2.1
197.09694	3.2
197.13319	9.6
198.10478	1.7
199.11307	3.2
199.14865	8.5
201.12769	6.6
203.14500	2.2
205.12317	2.3
207.11743	4.6
207.13896	1.7
209.13202	10.6
211.11272	4.9
211.14864	6.2
213.09204	3.8
213.12741	11.0
213.16502	2.9
215.14375	5.2
216.29167	2.0
217.12244	2.3
217.15981	5.5
219.13849	2.6
221.13249	5.1
221.15349	2.2
223.14885	8.2
225.12697	4.9
225.16481	3.6
227.14450	6.8
229.16035	2.7
231.17520	4.4
233.15407	4.2
235.14899	4.8
237.16425	3.7
239.14362	7.1
239.18022	2.2
241.15996	4.1
243.13855	3.6
243.17502	2.3
245.15518	4.2
247.17079	3.8
249.16461	2.3
253.15907	4.2
257.15369	4.4
259.16977	3.9
267.17612	3.7
271.16971	7.3
273.18622	2.4
285.18668	2.9
305.22791	3.2
323.23718	9.7
333.22128	12.8
341.24716	19.5
351.23157	49.9
351.27109	3.4
359.26138	2.0
369.24252	80.6
387.25314	46.7
415.28818	2.4
425.26929	4.7
443.27954	76.2
444.28604	4.1
461.29080	67.5
461.35306	3.4
462.29657	2.6
487.26114	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	12.9
55.01860	8.8
55.05514	50.5
57.03436	11.7
58.48176	3.7
65.03963	4.0
67.05509	86.0
69.03451	6.5
69.07075	27.7
70.10391	14.9
71.04991	6.4
75.94655	3.6
79.05493	68.6
81.03392	11.4
81.07057	80.5
82.93089	3.4
83.04971	12.8
83.08633	21.8
85.06535	5.4
91.05486	100.0
93.07050	59.8
95.04961	18.8
95.08609	53.0
97.06530	11.3
97.10152	9.7
103.05488	4.5
105.07037	73.2
107.04932	19.4
107.08604	43.3
109.06523	10.8
109.10157	27.7
111.08108	9.1
113.75094	3.6
115.05422	10.6
116.06231	3.8
117.07031	55.8
119.08590	45.7
121.06506	15.1
121.10172	20.3
123.08053	11.5
125.09667	6.6
128.06242	11.7
129.07008	53.2
131.04930	8.3
131.08583	67.9
133.06483	12.7
133.10138	21.6
135.08058	11.8
135.11681	11.1
137.09613	8.7
141.06981	21.6
142.07755	9.8
143.08566	43.4
145.06517	13.3
145.10129	34.3
147.08031	10.7
147.11705	8.2
149.09608	10.3
149.13248	4.3
153.07043	7.0
154.07768	4.1
155.08572	34.1
157.10132	30.0
159.08037	8.8
159.11688	18.1
163.11194	4.0
165.06981	6.2
166.07716	5.0
167.08586	13.3
169.10112	25.5
171.08040	6.9
171.11661	18.7
173.09528	5.9
173.13240	5.3
175.11163	9.8
175.14891	5.1
177.12775	5.6
179.08601	10.5
180.09387	4.8
181.10100	17.2
183.08063	3.7
183.11691	16.2
185.13277	12.8
187.11137	4.1
189.12746	5.4
193.10167	4.8
193.12225	4.2
195.11688	11.9
197.13220	13.4
199.14871	4.6
201.12759	7.6
207.11739	5.9
209.13287	12.0
211.14871	10.1
215.14343	13.2
217.15874	4.7
221.13261	11.5
223.14751	8.8
225.12691	5.4
227.14249	5.0
235.14798	9.7
239.14368	7.8
253.15996	5.4
257.15442	7.9
271.17007	8.2
315.21057	3.8
323.23666	8.4
333.22073	13.6
341.24683	19.1
351.23251	52.5
369.24225	50.8
387.25241	29.9
415.28409	4.8
425.26971	5.7
443.27826	67.6
461.28979	74.5
475.65912	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01870	8.8
55.05514	21.7
57.03436	17.3
57.07076	2.3
65.03950	2.5
67.05509	57.0
69.03440	15.9
69.07074	19.5
71.04995	3.9
71.51372	2.0
75.04477	2.4
79.05068	3.0
79.05502	40.7
81.03419	24.3
81.06595	3.0
81.07063	50.6
83.04994	9.3
83.08630	9.5
85.02924	2.1
85.06535	2.8
91.05486	47.0
93.07052	48.3
95.01346	14.8
95.04971	13.7
95.08618	32.4
97.02908	13.3
97.06519	5.4
97.10191	1.9
99.04481	4.8
103.03955	2.6
103.05458	2.6
105.07043	45.1
107.04950	8.0
107.08607	25.3
109.02872	7.0
109.06517	6.8
109.10175	12.7
111.04440	5.9
111.08071	4.8
115.05505	2.5
117.07030	19.6
119.04962	2.4
119.08597	27.5
121.06499	7.5
121.10168	21.9
123.04417	8.3
123.08076	4.4
123.11713	3.7
125.09679	3.0
127.03944	3.1
128.06232	6.9
129.07013	23.2
130.07771	2.7
131.04953	4.6
131.08585	25.3
133.06503	7.6
133.10126	20.4
135.04472	2.7
135.08047	5.4
135.11674	10.6
137.09608	2.6
141.07013	7.9
142.07788	5.6
143.08586	18.9
144.09338	2.1
145.06461	11.6
145.10124	23.3
147.08054	6.2
147.11696	13.2
149.05980	5.9
149.09619	3.1
149.13298	5.1
151.07549	3.0
151.11234	2.5
155.08539	11.7
157.06529	5.2
157.10138	17.7
159.08026	7.0
159.11678	20.7
161.06000	5.3
161.09590	2.5
161.13275	6.7
163.11208	2.8
163.14777	2.9
165.09106	2.8
166.07837	2.6
167.08620	6.6
169.10141	11.8
171.08084	6.7
171.11644	9.7
173.09666	5.7
173.13290	8.6
175.07625	6.2
175.11209	7.5
177.09114	3.6
177.12831	2.3
179.08543	2.9
181.10120	5.9
183.06581	3.0
183.08098	2.9
183.11670	14.9
185.09650	7.4
185.13268	10.9
187.07640	2.9
187.11247	4.2
187.14828	4.6
189.09254	3.8
189.12762	2.9
193.10184	3.8
195.11694	6.3
197.09630	3.1
197.13274	3.7
199.11130	3.8
199.14827	8.2
201.07503	2.0
201.09229	3.0
201.12796	4.7
203.10660	3.3
207.11761	3.5
209.13252	2.1
211.11197	4.0
211.14848	3.5
213.12755	3.9
215.10815	2.1
215.14247	3.5
217.12279	2.2
217.15860	2.0
217.75764	1.9
221.13377	2.8
223.14915	3.1
225.12750	4.8
225.16397	2.7
227.14314	4.1
229.12270	2.2
239.14360	3.4
241.19438	2.6
259.20630	4.8
271.16699	2.3
297.22281	2.6
299.23721	3.6
315.23184	2.9
323.23663	4.3
325.21817	2.6
327.23239	8.0
333.22116	1.9
335.25806	14.1
341.24680	12.0
345.24426	2.6
351.23190	15.9
357.24332	3.0
359.25833	2.7
360.55688	2.3
369.24249	43.1
387.25333	13.8
415.28943	2.2
425.26825	5.6
431.27710	3.6
443.18454	2.4
443.27921	51.3
461.28995	100.0
462.29684	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	461.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25469	1.6
53.03947	10.1
55.01883	11.7
55.02106	2.4
55.05519	24.7
55.13916	2.0
56.14102	1.6
57.03435	14.9
57.07084	3.9
59.50401	2.0
60.53300	1.7
65.03938	5.2
67.05510	57.3
69.03432	17.6
69.07079	21.8
71.04993	5.8
71.08617	2.2
74.99743	1.9
79.05499	48.4
81.03423	28.2
81.07065	54.1
83.05007	10.8
83.08621	8.7
85.02897	4.1
85.06566	3.0
86.43568	1.9
91.05491	48.0
93.06486	2.8
93.07055	45.1
95.01328	13.3
95.04978	19.2
95.08615	43.1
97.02901	19.6
97.06528	7.8
97.10152	4.3
99.04474	4.6
103.03944	3.3
103.05482	3.2
105.04523	1.9
105.06328	2.6
105.07035	43.9
107.04949	8.7
107.08609	28.7
109.02884	7.1
109.06525	5.2
109.10163	18.9
111.04440	8.0
111.08160	2.9
115.05474	3.9
117.07038	29.4
119.04945	2.4
119.08587	30.9
121.06512	9.1
121.10159	20.7
123.04455	8.4
123.08101	4.8
123.11729	5.7
125.09665	2.8
127.03918	3.8
128.06186	9.8
129.05510	2.5
129.07024	27.6
131.04942	3.5
131.08577	33.7
133.06525	10.1
133.10123	25.2
135.04437	2.9
135.08095	6.0
135.11678	10.7
137.06046	4.5
137.09654	2.9
137.13304	3.0
140.45313	1.7
141.07004	9.1
142.07800	6.5
143.08543	23.8
144.05682	2.1
144.09355	2.4
145.06514	10.1
145.10133	27.4
146.07367	2.3
147.08070	8.5
147.11694	14.5
149.05988	5.2
149.09692	3.8
149.13287	9.2
151.07590	3.0
153.07010	3.0
154.07764	2.8
155.08568	12.3
156.09364	1.9
157.06523	7.8
157.10141	17.1
159.08113	12.1
159.11697	17.7
161.06004	7.9
161.09647	7.6
161.13242	9.2
163.11249	2.6
163.14830	2.3
167.08636	5.5
169.10098	11.6
171.06662	2.3
171.08073	9.7
171.11687	18.2
173.05980	3.2
173.09662	7.5
173.13290	13.5
175.07590	7.0
175.11200	5.9
175.14893	4.4
177.09125	2.4
179.08611	3.1
181.10144	7.6
183.06516	2.4
183.08067	5.4
183.11719	12.8
185.09685	7.9
185.13228	10.8
187.11177	8.3
187.14836	8.6
189.09174	3.8
189.12811	3.7
191.10750	3.2
193.10143	3.5
195.11728	4.8
197.09660	5.6
197.13280	7.0
199.11163	8.6
199.14857	6.3
201.09198	2.6
201.12744	7.6
201.16483	2.2
203.10825	3.0
207.11758	3.3
209.13341	3.9
211.11383	2.4
211.14845	4.2
213.12752	6.3
213.16428	3.3
215.10698	2.8
215.14410	4.9
217.12254	3.1
221.13388	2.0
223.14944	3.7
225.12798	5.4
227.14294	3.4
229.12259	2.7
231.13728	3.0
235.14920	2.1
239.14354	3.5
241.15796	3.3
257.18933	2.0
259.20673	6.6
261.21985	2.5
271.20541	2.9
271.57767	2.2
273.22211	1.9
297.22183	3.3
299.23611	2.6
309.22275	2.6
317.24829	2.3
323.23764	5.2
327.23260	8.2
333.22247	2.9
335.25766	11.4
341.24802	11.4
351.22989	17.4
359.25958	3.7
369.24240	43.8
387.25357	12.7
407.15277	2.0
425.26910	3.9
443.27951	45.2
461.29001	100.0
462.29373	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	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40649	2.1
53.03945	4.7
55.01878	2.7
55.05515	42.6
57.07080	69.3
67.05518	22.0
69.07076	66.0
69.49805	2.5
71.04997	12.7
71.08643	47.6
73.21899	2.6
75.10658	2.6
79.05489	18.7
81.07061	100.0
82.59328	2.6
83.04996	2.9
83.08632	52.5
85.06551	2.8
85.10183	24.9
85.14857	2.4
88.30399	2.4
89.95873	2.6
91.05473	12.2
93.07053	23.7
95.08615	60.7
97.06590	3.4
97.10178	35.4
98.20760	9.0
99.04465	27.9
104.16362	2.4
105.07014	8.8
107.08610	16.5
109.06554	12.4
109.10166	29.8
111.04440	5.1
111.08098	5.1
111.11726	28.1
114.89466	2.6
117.07036	3.4
119.08587	5.8
121.10162	20.8
123.08086	3.2
123.11744	14.4
125.06016	11.7
125.09685	3.6
125.13260	8.1
127.03931	59.4
130.07758	3.6
131.08582	3.3
135.08072	3.6
135.11702	11.4
137.05992	74.5
137.13275	6.5
139.11223	2.8
141.05489	8.8
145.10153	12.0
147.03326	2.5
147.11693	2.6
149.09595	5.5
149.13260	10.4
151.07545	3.8
151.14842	5.1
153.05489	5.7
155.07036	11.1
159.11760	12.1
163.14835	6.8
167.07056	6.8
173.09634	33.0
173.13197	2.7
175.11240	4.3
177.09166	2.8
179.07031	2.8
183.06546	62.8
185.43613	2.5
187.11212	9.2
191.10596	3.6
191.17995	4.0
201.12714	3.1
205.12299	4.3
219.13560	2.4
317.32169	4.4
335.33096	10.3
383.32996	7.9
401.34180	80.3
415.35474	4.1
419.35144	16.6
443.35471	4.4
461.36334	3.9
474.95612	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	461.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85491	3.2
53.03946	6.1
54.37634	2.8
55.05515	42.3
57.07083	73.4
67.05516	26.9
69.07076	65.4
69.41002	8.0
69.41412	20.7
71.04996	11.7
71.08638	44.5
79.05489	13.4
81.07065	100.0
83.04996	9.0
83.08628	53.0
85.10174	19.8
91.05492	18.6
93.07050	26.1
95.04961	3.5
95.08617	59.8
97.10187	35.9
98.20821	6.0
99.04463	27.1
99.11665	3.4
105.07048	12.8
107.08582	24.0
109.06513	14.7
109.10158	38.8
111.04446	4.9
111.11735	26.3
113.05988	3.4
119.08586	13.7
121.06555	4.5
121.10146	23.9
123.08073	6.6
123.11739	18.7
125.05998	14.8
125.13303	8.0
127.03918	57.0
127.07587	3.8
129.07005	3.5
131.08575	8.6
133.10136	4.0
135.08081	9.3
135.11694	10.8
137.05026	6.4
137.05998	92.4
137.13226	7.4
139.11162	3.4
140.35074	3.1
141.05467	7.5
145.10153	13.9
149.05989	7.8
149.09648	7.5
149.13266	10.1
151.07567	12.0
153.05476	7.0
155.07062	6.5
159.11679	12.7
163.07469	4.2
163.14844	8.4
165.09248	3.7
167.07025	6.0
169.10106	3.6
171.11681	6.0
173.09630	33.2
173.13333	8.9
175.11176	5.7
177.09125	4.6
177.16522	3.5
179.07014	5.3
183.06560	66.7
187.11191	13.2
191.10672	7.3
193.08580	4.6
201.12727	4.1
205.12323	6.9
219.13831	3.7
302.92661	3.5
317.32111	7.0
335.33154	11.1
383.33047	9.8
397.34634	3.6
401.28973	4.1
401.34164	83.1
415.35727	6.6
419.35236	18.3
443.35037	10.4
461.23544	4.2
461.36081	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	461.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.9
55.01873	3.9
55.05266	2.7
55.05513	35.0
57.07079	59.4
57.96706	1.6
67.05502	19.9
69.07071	52.7
69.75163	11.5
71.04997	14.4
71.08636	38.7
79.05497	20.2
81.07059	100.0
83.05002	9.5
83.08620	40.1
85.06546	2.9
85.10181	19.7
91.05476	8.2
93.06555	2.5
93.07049	21.6
95.04983	3.1
95.08609	53.4
96.08953	2.2
97.06551	3.5
97.10170	25.7
98.20819	1.9
99.04455	29.1
102.55484	1.9
104.79781	1.7
105.07054	9.8
107.08598	19.7
109.06516	13.1
109.10161	29.9
111.04437	5.4
111.08070	3.6
111.11714	13.6
113.13248	2.9
117.07025	4.2
119.08569	7.0
121.06470	2.3
121.10160	20.7
121.50633	1.7
123.11735	15.7
125.06003	9.8
125.13223	3.6
127.03925	58.4
129.07008	2.4
131.08557	4.3
133.10139	3.3
135.08047	3.1
135.11742	10.3
137.05978	85.7
137.13266	6.3
139.07527	2.1
139.11168	2.7
139.14948	2.0
141.05449	5.1
143.08591	2.8
144.09349	2.5
145.10155	10.8
147.11696	3.0
149.05928	2.2
149.09599	4.3
149.13252	7.6
151.07503	8.9
151.14813	4.2
153.05479	4.3
155.07037	3.7
155.08571	3.1
156.09286	2.3
157.10075	4.2
159.08051	2.2
159.11682	14.8
161.13191	2.8
163.07555	2.4
163.14821	7.8
165.09085	3.4
167.07056	6.5
169.10109	2.8
171.11705	2.4
172.08862	3.9
173.09630	40.4
175.07539	2.1
175.11147	3.2
177.09122	5.5
177.12669	2.2
177.16330	2.9
179.07021	2.4
179.17979	2.4
179.83907	2.2
183.06514	23.9
185.13170	3.1
186.34283	1.9
187.11208	12.1
190.10034	2.0
191.10707	5.1
191.17998	2.3
201.12733	3.0
205.10457	1.7
205.12276	8.3
219.13737	3.6
277.28934	2.3
288.56302	1.8
294.08752	1.9
317.31946	5.3
335.33157	6.6
383.33047	8.2
397.34708	4.1
401.34140	72.8
415.35880	3.1
419.35309	12.5
443.35242	5.8
461.36243	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	461.3629
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
55.05519	26.2
55.22224	3.2
57.07085	39.4
59.46717	3.3
67.05511	29.4
68.66940	3.1
69.07076	52.7
71.04979	3.7
71.08651	30.5
76.93658	3.0
79.05498	16.8
81.07061	100.0
83.01348	7.7
83.04977	6.9
83.08643	38.5
85.10196	19.7
91.05479	13.5
93.07048	14.7
95.04959	3.4
95.08614	73.2
97.10178	24.1
99.04478	6.4
101.07490	3.1
105.07023	13.8
107.08594	16.7
108.92393	3.7
109.06516	16.5
109.10168	44.9
111.04454	3.4
111.11710	18.9
113.00005	21.0
114.72468	3.4
117.07023	3.9
119.08582	10.9
121.06508	5.1
121.10160	13.6
123.08057	9.5
123.11716	31.9
125.05998	6.5
125.13250	5.9
128.06297	3.2
131.08572	14.3
133.06512	3.8
133.10141	9.0
135.08041	9.4
135.11705	8.1
137.05992	59.2
137.09607	5.0
137.13242	13.6
139.07542	8.8
145.10124	15.9
147.11682	4.4
149.05978	10.9
149.09598	3.8
149.13245	7.6
151.07562	31.0
151.14833	9.9
157.10101	6.4
159.08075	4.9
159.11691	22.6
161.13174	4.9
163.07507	7.6
165.09158	12.6
165.16379	4.5
167.07039	9.8
169.02637	15.2
172.08820	7.7
173.09634	37.9
173.13199	8.9
175.07539	5.4
175.11215	8.6
175.14830	4.2
177.09108	18.6
177.12720	3.8
177.16458	6.2
179.07014	10.3
185.13263	3.6
187.11197	39.0
187.14784	4.4
189.12781	6.0
191.10738	19.9
193.08614	12.1
193.12184	5.0
196.66083	3.5
197.13214	4.4
201.12703	4.6
203.14407	4.1
205.12262	14.4
205.19507	4.3
219.13843	5.9
229.15894	4.8
233.15448	6.0
241.48714	3.4
243.13812	4.3
245.15311	5.2
247.13269	5.7
247.17365	3.4
263.27356	17.7
311.29517	4.3
371.33078	5.5
383.33057	21.9
397.34485	7.9
401.34213	34.8
415.35556	13.2
425.34293	10.4
443.35248	52.1
461.36215	20.7
463.23865	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	461.3625
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
50.57104	6.5
54.00268	7.0
55.01892	10.1
55.05509	44.1
57.07079	53.1
59.05083	8.1
66.19631	8.4
67.05503	30.1
69.07072	79.5
71.08636	36.7
71.51600	10.7
79.05489	15.4
81.07069	99.5
83.01367	17.1
83.08612	47.1
85.10176	12.7
91.05464	19.7
93.07033	19.7
95.08610	100.0
97.10197	44.1
97.10702	7.1
99.44588	7.8
105.07043	13.5
107.08599	16.8
109.06516	21.0
109.10163	74.1
111.11712	29.8
113.00002	54.2
119.08585	22.9
121.06526	10.3
121.10159	17.8
123.08080	15.3
123.11697	36.9
125.05985	9.0
125.13249	11.2
131.08557	38.8
133.10144	17.8
135.08041	15.2
135.11694	10.8
137.05933	39.2
137.13283	20.2
139.07591	15.4
140.96312	7.6
141.06998	9.5
143.08498	7.5
145.10153	29.8
147.11646	12.0
149.05946	23.4
149.09544	8.8
151.07544	85.2
151.14760	15.5
159.08078	17.5
159.11729	13.9
161.13284	11.2
163.07585	8.5
165.09126	30.7
168.54869	7.2
169.02618	46.6
169.08684	10.3
173.09692	16.3
173.13322	12.3
175.07469	9.4
175.11208	9.4
177.09131	46.7
179.10751	10.7
191.10667	25.5
193.08640	28.1
193.12134	8.1
200.85565	8.1
203.10649	9.2
204.11537	8.5
205.12248	21.8
207.10167	7.6
207.21152	8.6
215.14449	10.9
219.13809	19.8
223.09441	8.2
229.12218	10.5
236.74141	7.4
243.13739	11.9
263.27286	38.5
383.33194	12.2
397.34689	13.0
401.34189	63.6
415.35648	28.1
425.34085	23.5
443.29971	8.8
443.35321	95.2
461.36398	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
55.05513	31.1
57.07080	36.8
60.20920	2.1
65.03945	4.2
67.05511	31.7
69.07074	54.8
71.04996	9.1
71.08639	21.2
71.52328	3.9
79.05496	17.2
81.07060	100.0
83.04991	4.8
83.08627	34.4
85.06521	2.9
85.10204	11.5
91.05483	13.5
93.07047	25.8
95.08611	93.5
97.10172	20.0
99.08093	3.2
105.07055	17.8
107.08594	30.9
109.06540	15.5
109.10165	61.2
110.79965	2.5
111.08081	5.3
111.11694	14.4
117.07021	4.7
119.08589	16.5
121.10150	25.1
123.08066	4.9
123.11699	28.2
125.05988	5.8
125.13255	4.4
127.03931	4.3
127.07619	2.8
129.60681	2.5
131.08585	8.6
133.06514	2.6
133.10117	14.8
135.08055	4.9
135.11728	14.6
137.05017	3.9
137.05994	49.1
137.13258	15.1
139.07545	3.3
141.05507	3.3
143.08575	5.2
145.10143	15.3
147.08110	4.3
147.11685	9.9
149.05977	2.8
149.13254	15.7
151.07581	8.6
151.14796	8.7
153.05457	3.4
155.08556	3.8
157.10132	6.5
159.11714	22.9
161.09593	3.8
161.13274	6.5
163.11180	3.9
163.13547	2.4
163.14842	9.9
165.09123	4.6
165.16383	5.1
167.07048	7.3
167.14284	5.6
169.10214	2.6
171.11671	4.6
172.08846	7.8
173.09648	54.4
173.13220	5.8
175.11226	3.0
175.14850	6.5
177.09071	4.1
177.16458	11.3
179.07056	6.6
179.18002	4.0
183.06537	5.9
187.11185	39.9
187.14743	3.3
189.09129	3.4
189.16451	2.8
191.10716	6.0
191.17947	13.3
193.15877	4.5
201.09207	2.5
201.12775	4.3
201.16370	3.9
203.17947	7.7
205.12257	10.9
205.19554	6.2
215.10667	3.4
219.13817	5.3
219.21191	2.6
229.19563	2.5
232.10979	2.3
243.13716	2.9
256.45752	2.7
257.22821	2.5
286.52139	3.1
317.28433	3.7
345.31830	3.4
347.33163	5.2
371.32990	13.3
383.33267	22.0
397.34570	4.1
401.34113	21.8
405.03525	2.7
415.35776	3.9
419.35150	3.4
425.33896	4.3
443.35172	22.1
461.36255	10.7
461.42062	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	463.1237
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
61.03366	0.8
69.68072	2.7
69.68474	2.2
81.03426	1.7
84.04505	2.7
84.73343	0.8
85.02899	2.1
97.02882	1.2
107.04964	1.6
108.05318	1.3
109.02896	1.5
121.02916	1.6
126.05524	2.5
138.05479	1.5
141.01749	1.0
149.02348	1.6
149.05994	2.6
151.03946	6.3
156.25229	0.9
161.42688	0.9
165.01840	13.3
167.03442	2.1
168.06601	1.1
175.03963	1.2
177.01866	1.3
183.02902	3.5
187.03926	1.0
191.03349	0.9
195.02995	1.8
215.03539	0.8
217.04926	0.9
243.06516	1.8
258.05322	1.0
259.05930	0.9
270.05310	4.0
271.06027	2.9
282.05301	6.0
285.07629	1.0
286.04691	1.8
292.07089	1.2
296.06842	7.8
297.07581	4.7
298.04742	22.2
299.05432	1.7
300.06317	7.0
301.07153	4.8
310.04648	4.3
310.08298	4.5
311.05829	1.1
311.09039	4.3
312.06381	1.7
313.07080	100.0
314.07727	7.9
320.06900	2.1
324.06305	10.5
325.07111	7.1
325.10565	1.6
328.05777	16.4
336.06244	3.4
337.07111	2.8
338.07880	6.4
339.04926	1.7
339.08649	16.0
343.08151	67.6
344.08566	2.0
348.06287	2.4
351.08768	2.2
352.05792	1.3
353.10233	13.9
360.44635	0.9
363.08508	2.3
364.05844	2.3
365.06430	1.0
366.07553	1.0
367.08145	40.5
368.08255	1.4
376.05743	2.5
379.08173	11.8
381.09717	2.5
391.08121	8.0
394.06802	2.8
397.09222	20.0
409.09195	20.5
427.10278	21.9
445.11301	10.9
463.12427	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
67.00230	0.7
67.05495	3.4
69.03433	0.9
69.07043	1.8
70.75967	1.3
70.76296	1.1
73.20332	0.7
79.05478	2.7
81.00686	0.9
81.07052	6.7
83.08589	1.1
85.02895	1.8
91.05501	1.6
93.07030	4.1
94.41231	0.7
95.04900	0.9
95.08601	3.3
105.07067	1.7
107.08585	1.9
109.06561	0.8
109.10149	1.4
119.08582	1.4
121.10181	1.6
124.13158	0.9
131.04938	1.0
131.08568	1.2
133.10103	1.3
135.11630	1.2
147.11699	1.4
149.13258	0.9
152.74196	0.8
167.07132	1.5
185.04222	47.7
191.06995	4.6
225.09138	1.2
228.07866	0.9
243.10060	1.7
267.09000	1.8
271.09573	6.7
285.10068	2.1
301.21423	23.8
369.11493	1.0
371.12955	1.6
371.25513	1.4
399.12228	1.7
417.17395	1.1
423.80380	0.9
431.14877	6.2
432.15652	4.0
445.16318	1.5
445.29385	1.6
463.16599	2.6
463.26617	100.0
464.26987	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.01615	0.9
51.02375	1.6
53.03948	3.7
55.01869	2.7
55.05515	19.0
57.03442	5.4
57.07077	2.2
65.03938	4.4
67.05508	75.5
69.03449	1.0
69.07073	24.8
70.60203	1.2
70.60576	1.5
71.01352	1.0
71.04996	6.2
71.08665	1.1
77.03928	1.3
79.05499	52.8
81.03418	3.4
81.07062	100.0
82.07393	0.7
83.04991	6.9
83.08154	1.0
83.08631	18.2
85.06538	4.6
89.37189	0.8
91.05485	28.4
92.30898	0.7
93.07047	63.8
95.04981	8.1
95.08614	26.7
97.06539	11.5
97.10181	1.2
99.08086	2.7
105.04563	1.8
105.07040	12.8
107.04989	2.0
107.08601	38.8
109.06521	3.0
109.10161	6.2
111.08093	7.7
111.11710	1.1
113.06018	1.3
113.09615	1.1
115.05444	1.1
117.07034	11.9
119.08576	5.5
121.06554	2.7
121.10155	20.3
123.08067	1.5
123.11682	4.0
125.09646	1.6
129.07005	2.2
130.07936	0.9
131.08583	13.8
133.10136	13.7
135.08072	3.1
135.11702	13.6
137.06009	0.9
139.11217	1.5
143.08656	0.8
145.10136	1.0
147.11737	2.1
149.09602	1.7
149.13266	39.7
151.11229	1.5
157.10175	2.2
159.11703	17.5
167.07159	0.9
167.14325	2.2
169.10062	0.9
171.11624	1.0
177.12778	8.2
185.13429	0.8
193.81598	0.7
195.13814	22.4
213.14931	2.0
271.09702	2.4
325.25403	1.0
340.57449	0.8
343.25989	0.9
353.24783	2.1
371.25745	4.2
389.26663	2.0
417.17224	0.8
432.15527	1.2
445.29395	3.2
463.30573	68.3
464.30988	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03952	4.5
55.01860	3.1
55.05513	20.3
57.03440	6.6
57.07071	2.1
59.09232	0.8
65.03933	3.6
65.26249	1.0
67.05507	78.0
69.07069	30.7
70.01347	3.6
71.04996	5.3
73.80644	0.8
77.03930	1.4
78.41943	0.8
79.05497	50.4
81.03415	2.9
81.07058	100.0
83.04984	7.4
83.08625	17.1
85.06557	6.1
88.17867	0.8
91.05485	29.5
93.07047	76.3
95.04972	6.2
95.08611	26.6
97.06532	15.7
97.10150	2.5
99.08115	4.4
102.57715	0.8
105.04528	1.9
105.07029	10.6
107.08596	42.5
109.06521	3.9
109.10155	3.7
111.08076	9.4
111.11726	1.4
113.09660	2.1
117.07028	10.2
119.08553	2.9
121.06488	3.1
121.10143	22.4
123.11721	3.2
125.09621	1.2
125.91262	0.9
131.08559	11.2
133.10130	8.7
135.08040	2.3
135.11703	11.4
139.11197	2.5
147.11647	2.8
149.09619	2.1
149.13263	54.3
151.11177	1.2
154.84761	0.9
159.11705	19.8
167.14319	1.5
176.35196	0.8
177.12726	9.5
195.13815	18.8
213.14943	4.0
251.16376	0.9
269.65036	1.0
277.20398	0.9
293.16318	1.0
331.81119	0.9
459.86349	1.0
463.30566	67.4
464.30859	1.7
466.41104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.3
55.01863	6.5
55.05515	31.6
57.03426	9.3
61.29632	2.0
65.03943	6.7
67.05511	74.2
69.03435	2.7
69.06726	3.2
69.07079	26.4
71.04993	5.4
71.35687	4.3
78.87627	2.0
79.05072	3.9
79.05499	70.6
81.03387	2.2
81.06590	4.5
81.07063	86.6
83.04983	5.7
83.08615	14.9
85.06546	4.4
91.05486	97.3
93.07050	69.9
95.04966	10.2
95.08617	44.9
97.06525	9.8
103.05467	4.4
105.04513	5.4
105.07040	81.4
107.04974	9.5
107.08595	30.7
109.06524	8.4
109.10150	14.0
110.97173	2.5
111.08073	6.3
115.05457	4.6
116.06215	2.7
117.07027	40.5
119.04961	2.4
119.08586	55.6
121.06506	9.7
121.10134	23.4
123.08051	4.1
125.09628	3.0
125.95544	2.4
128.06189	8.8
129.07008	28.4
130.07777	4.7
131.08568	67.4
133.06508	8.2
133.10138	30.3
135.08061	8.3
135.11705	8.9
137.09642	4.1
141.07013	9.1
142.07808	3.7
143.08548	25.2
145.06493	4.0
145.10133	44.0
147.08043	7.3
147.11708	9.3
149.09630	7.1
151.11200	2.7
155.08536	17.8
157.06519	3.2
157.10138	17.8
159.08089	4.2
159.11671	21.9
161.09537	3.1
161.13243	6.8
163.11160	3.2
167.08566	5.3
169.10161	16.3
171.11655	17.1
173.09631	4.7
173.13297	6.9
181.10133	5.3
183.11700	11.1
185.09608	3.9
185.13283	9.4
187.11107	3.7
187.14839	3.7
195.11694	8.0
197.13293	12.7
199.14877	8.5
201.12735	3.5
207.11771	3.0
209.13287	5.2
211.14789	7.2
213.13005	2.8
213.16368	3.0
215.14354	2.6
221.15414	2.8
223.14888	5.6
225.16354	5.3
227.14330	2.9
233.15390	5.4
241.15958	4.7
247.16907	7.1
254.15375	2.6
255.17474	3.0
257.18887	2.9
259.16962	5.0
261.18466	5.6
273.18512	3.0
307.24210	3.0
317.22690	3.8
324.07922	2.5
325.25275	10.4
335.23676	12.0
343.26337	25.7
352.31876	2.9
353.24765	56.2
354.25299	2.7
371.21304	5.1
371.25827	59.0
389.26886	69.7
427.28308	8.3
445.29572	100.0
463.30545	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.0
54.38061	2.6
55.01873	3.9
55.05511	26.8
57.03422	12.2
65.03937	4.2
67.05507	64.2
68.75216	2.6
69.03420	2.9
69.07076	27.7
70.95792	6.8
71.04990	3.1
78.32787	2.3
79.05074	4.0
79.05498	59.4
81.03431	2.8
81.07056	66.1
83.04945	6.1
83.08607	8.4
85.06554	3.8
89.71412	2.3
91.05483	74.9
93.06490	3.9
93.07044	54.2
95.04959	9.3
95.08051	4.9
95.08606	45.8
97.06534	10.6
97.10161	5.6
105.07030	70.7
107.04975	5.9
107.08595	29.0
108.90346	2.5
109.06516	5.4
109.10147	11.1
111.08064	3.6
115.05420	3.9
117.07006	39.1
119.08578	43.3
121.06490	8.5
121.10162	22.6
123.08043	6.0
128.06215	7.7
129.07001	23.6
131.08574	55.7
133.06482	4.7
133.10129	23.1
135.08058	6.5
135.11685	8.5
137.09625	8.2
141.06976	8.7
143.08565	26.6
145.06511	5.0
145.10136	37.0
147.08034	7.1
147.11671	8.2
149.09589	7.8
149.13232	4.6
151.11153	2.7
155.08534	10.5
157.10107	14.3
159.08076	4.3
159.11703	16.5
161.09624	5.1
161.13237	5.2
167.08617	4.6
169.10130	11.1
171.11743	13.0
173.09593	3.8
173.13278	6.7
181.10156	6.7
183.11671	8.6
185.13245	6.0
187.11134	3.2
187.14873	3.8
194.09767	2.8
195.11636	6.9
197.13231	9.9
199.14758	4.3
209.13312	6.7
211.14720	4.0
215.14337	2.9
219.17578	2.8
221.15309	3.1
233.15366	3.6
247.16876	6.3
259.17035	3.3
261.18671	5.7
325.25238	6.3
335.23630	10.7
343.26358	20.3
353.24741	47.1
371.21332	4.4
371.25775	54.0
372.25958	2.8
389.26877	54.0
412.05759	2.7
427.28494	4.6
445.29550	100.0
446.29745	7.2
463.30536	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01864	4.6
55.05513	14.5
57.06828	2.1
57.07079	23.1
65.03946	1.6
67.05491	5.3
69.06726	2.1
69.07068	23.8
71.08639	16.6
71.51680	2.7
79.05486	7.7
81.07058	14.2
83.04995	2.1
83.08620	16.1
85.10187	7.9
89.06029	1.5
91.05467	3.4
93.07055	7.1
95.04977	2.4
95.08609	8.2
97.02878	3.3
97.10178	12.0
99.04456	5.6
105.03400	4.8
105.07029	6.5
107.04957	10.1
107.08590	5.8
109.02886	8.9
109.06523	1.6
109.10178	5.0
111.04453	3.0
111.11713	5.6
113.00064	1.9
119.08580	4.5
121.02862	1.6
121.06503	1.5
121.10144	2.9
123.04424	3.1
123.08065	2.9
123.11695	3.0
125.02363	16.0
125.06004	5.5
125.13315	1.9
126.79301	1.6
129.07051	1.7
131.08568	2.5
133.02876	6.7
133.10158	3.7
135.04427	15.6
135.08047	2.5
135.11673	2.1
137.06009	3.0
137.09616	2.6
139.07550	1.6
141.05505	1.4
143.08504	1.4
145.10088	2.7
147.04355	2.5
147.08040	2.8
147.11694	3.2
149.06033	2.2
149.09601	2.0
151.03911	18.4
151.07544	3.1
153.05452	6.8
159.11726	2.1
161.02316	11.2
161.09686	3.1
161.13295	2.3
163.07523	3.0
163.11168	1.9
165.05490	4.2
167.03369	3.2
167.07039	4.0
169.05028	2.6
175.07610	1.8
175.11150	1.9
179.03416	18.4
179.07066	2.9
179.10645	2.3
181.05093	1.7
185.04498	7.2
189.09047	2.2
189.12752	2.3
191.10738	2.2
193.04973	1.8
197.04462	100.0
211.06024	5.5
225.07605	2.9
239.09137	5.0
253.10713	5.1
263.16214	1.4
267.12329	3.7
281.13940	3.5
295.15433	4.0
296.48038	1.3
309.17075	4.2
323.18521	4.8
337.20013	5.8
351.21646	3.6
365.23193	2.5
378.61404	1.5
379.24997	2.6
393.26398	2.6
403.35822	10.8
407.27719	3.2
417.33319	2.7
431.35593	3.5
445.36984	2.0
463.33606	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	463.3783
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
53.03955	1.9
55.05513	23.8
57.07081	14.3
58.74104	2.1
67.05498	9.2
69.07067	20.2
69.78733	11.2
71.08635	3.9
79.05502	4.7
81.07053	22.5
83.04984	53.9
83.08615	14.6
85.10136	2.5
91.05471	5.9
93.07042	18.6
95.08614	16.3
97.06503	2.8
97.10159	9.2
99.08082	2.8
105.07024	5.9
107.08598	9.1
109.06527	6.5
109.10177	8.2
111.08115	4.7
111.11733	3.8
117.07059	2.5
119.08587	6.1
121.06525	29.9
121.10170	8.2
123.08077	7.9
123.11738	4.4
127.07580	10.7
133.10181	2.7
135.08063	12.1
135.11710	3.8
137.09616	9.1
139.07553	74.7
145.10101	3.0
147.11693	2.3
149.09637	5.2
149.13271	2.5
151.07549	4.9
153.09097	4.1
157.10104	2.5
159.11690	4.4
161.13289	2.4
163.07561	16.6
163.11223	2.6
165.09198	4.2
165.18655	2.3
167.10672	3.6
171.13814	30.1
175.11223	2.2
177.09102	3.1
177.12837	2.8
181.08604	15.2
195.13780	2.6
202.98454	2.3
208.41042	2.1
211.64685	2.2
214.37357	2.1
237.14867	4.8
292.65955	2.1
307.23083	4.0
311.60196	2.5
321.24594	2.4
445.36810	64.9
446.37131	2.8
463.32526	4.9
463.37891	100.0
464.38376	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	463.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01893	4.9
55.05516	52.6
57.03420	4.1
57.07078	71.8
67.05508	33.9
69.03442	5.3
69.07072	100.0
71.08630	62.9
71.22605	8.3
79.05515	26.8
81.07057	84.0
83.05019	5.3
83.08621	71.0
85.10184	32.6
91.05481	26.9
93.07056	37.1
95.04949	8.1
95.08065	6.3
95.08619	85.0
97.06528	5.3
97.10184	47.3
99.04424	7.8
105.07052	38.5
107.08601	72.3
109.06516	28.3
109.10149	40.2
111.08076	19.7
111.11732	33.9
119.08583	49.6
121.06483	7.1
121.10146	30.4
123.08060	18.1
123.11731	18.6
125.06013	11.4
125.13269	17.8
127.03927	7.4
129.06989	7.2
131.08543	13.7
133.10167	32.1
135.04460	5.5
135.08046	39.1
135.11697	19.6
137.05975	14.1
137.09583	8.5
137.13255	5.7
139.07544	5.7
142.07814	5.1
143.08578	4.2
145.10184	18.1
147.08060	14.3
147.11703	27.8
149.05981	5.5
149.09616	13.9
149.13266	10.9
151.03972	6.8
151.07538	14.9
151.11133	6.8
151.14815	7.8
156.09326	6.2
157.10098	14.2
158.62930	4.0
159.08006	4.3
159.11694	23.1
161.09608	14.2
161.13268	35.6
163.07579	8.3
163.44431	4.2
165.09111	8.4
165.12903	4.5
167.07071	9.9
169.02640	5.0
171.11769	10.5
173.09639	4.8
173.13293	10.9
175.11230	14.1
175.14822	13.0
177.09163	20.8
177.12813	5.8
179.10652	5.1
181.08604	24.5
185.13310	10.0
187.11168	3.9
187.14847	6.0
189.09137	5.9
189.12738	14.8
189.16515	6.2
191.10686	5.0
191.14342	6.5
193.08644	3.9
193.12202	6.4
203.10713	4.3
203.14345	10.5
203.18005	6.3
205.12192	4.6
207.13766	4.4
217.12225	9.7
219.13789	5.3
221.11655	7.1
223.13232	5.7
231.13873	10.4
231.21100	4.9
235.13306	11.4
237.14830	8.0
245.15508	5.0
249.14865	5.9
251.16479	4.8
259.20584	5.0
277.18033	4.3
291.19409	9.1
305.21149	13.9
307.30011	4.4
317.28366	6.6
319.22684	13.8
327.30304	3.8
333.24115	6.1
357.35168	35.4
361.27460	4.9
375.28867	7.5
375.36142	13.6
385.34644	10.8
389.30313	5.7
399.36615	26.8
417.37454	22.9
427.36032	39.6
445.36850	66.1
463.38910	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	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05516	13.1
57.07079	31.8
67.05504	6.3
69.07072	31.6
70.76912	2.2
70.77258	3.3
71.04997	2.1
71.08639	24.5
79.05504	5.0
81.07063	22.0
83.08623	17.4
85.10194	12.7
91.05478	3.3
93.07051	7.3
95.08601	15.1
97.06534	3.6
97.10191	12.3
99.04466	3.8
99.11711	2.0
105.07013	9.3
107.04953	2.0
107.08601	6.8
109.06538	11.1
109.10157	9.3
111.08123	3.6
111.11732	5.2
119.08590	4.5
121.10168	4.6
123.08113	11.2
123.11693	5.1
125.06010	16.7
125.13281	2.0
127.07571	38.9
128.34705	1.6
128.35670	1.8
131.08664	2.6
134.04260	1.7
135.08031	2.3
135.11688	2.4
137.05981	6.0
137.09644	2.6
139.07545	100.0
145.10152	2.1
147.11636	2.2
149.06013	4.4
149.09615	2.0
151.07529	10.1
151.11143	2.2
161.13324	1.6
163.07556	2.9
165.09119	3.2
167.07062	3.5
175.11281	2.2
175.14821	2.4
177.09135	13.1
177.28998	1.8
179.10678	3.2
195.10168	1.7
203.14330	1.7
207.13779	2.7
249.14932	2.6
301.28903	5.3
319.29956	10.8
347.33109	15.4
373.31146	5.9
403.35629	3.7
417.37277	20.2
427.35617	4.0
445.36810	55.0
446.37003	2.9
463.37872	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	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
54.59037	1.7
55.05510	15.7
57.07074	36.6
67.05515	10.5
69.07069	25.7
69.14779	2.3
69.34954	3.9
69.35355	13.4
71.08637	24.6
79.05488	3.8
81.07055	23.1
83.08615	14.9
85.10189	14.0
91.05471	5.6
93.07032	10.4
95.08617	13.6
97.06550	3.2
97.10168	11.6
99.04472	4.1
105.07028	9.7
107.08583	6.5
109.06524	14.0
109.10156	7.3
111.11724	3.8
119.08584	3.9
121.06501	2.5
121.10153	5.3
123.08046	9.1
123.11746	3.0
125.05990	11.4
127.06629	3.0
127.07558	42.6
131.08611	2.0
133.02827	1.6
133.10149	3.8
135.08054	3.9
137.05992	4.1
137.09618	2.8
137.13246	1.8
139.07544	100.0
145.10109	3.2
147.11703	3.3
149.06010	2.7
149.09618	2.3
149.13214	1.8
151.07539	7.3
154.91110	1.8
163.07542	3.0
163.14940	1.9
165.09131	3.3
167.07072	5.9
175.11226	1.9
177.09146	13.4
189.12692	2.0
249.14841	2.1
301.28763	3.9
319.29822	9.7
347.33112	11.6
373.30795	3.5
385.34473	2.2
399.36136	2.8
403.35583	3.0
417.37277	16.9
427.35797	4.3
445.36819	36.1
463.37976	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	463.3785
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.01875	5.8
55.05513	26.7
57.03416	4.6
57.07079	71.0
57.35305	3.2
59.03080	3.5
59.05001	21.3
64.78755	3.1
67.05509	25.2
69.07076	51.8
71.08636	49.2
71.52664	5.1
79.05509	18.1
79.47911	4.1
79.55971	3.6
81.07059	42.6
83.04960	4.7
83.08619	32.2
85.06543	4.7
85.10195	36.5
87.08113	13.3
91.05489	19.0
93.06490	4.1
93.07047	55.6
93.07574	6.4
95.04983	6.9
95.08044	5.9
95.08613	56.2
97.10160	21.2
99.04489	3.6
103.07639	7.4
105.07044	20.5
107.08616	26.7
109.06520	7.9
109.10172	22.9
111.08090	15.4
111.11713	11.8
112.32074	3.1
117.07005	4.0
119.08581	18.1
121.06520	3.5
121.10169	19.3
123.08044	8.1
123.11732	10.5
125.05992	9.7
125.09642	5.5
125.13233	5.1
127.03956	4.3
127.07525	8.4
131.08546	9.1
133.10120	17.6
135.08031	4.7
135.11702	10.9
137.05951	16.6
139.07549	44.8
143.08627	4.0
145.10135	13.7
147.11681	14.7
149.09650	8.0
149.13269	6.4
151.07558	17.8
151.11234	7.1
153.09123	13.4
157.10092	5.7
159.11717	16.2
161.09599	8.8
161.13272	11.2
163.14876	5.1
165.05453	10.0
165.09138	7.8
167.07062	7.3
167.10701	10.7
169.19482	4.6
171.11766	6.9
173.13278	14.2
175.14793	7.1
177.09125	62.2
179.07008	7.6
181.08604	8.3
181.12199	8.0
183.11719	4.8
185.13290	3.9
187.14862	10.2
193.08583	8.4
195.13785	3.6
198.52548	3.5
199.14885	7.6
203.18059	4.1
213.16315	7.2
225.10481	4.0
229.19447	4.3
261.98776	3.8
271.26364	6.3
399.36218	7.1
403.35791	49.0
417.37219	13.1
421.36755	22.0
423.62100	3.6
427.35565	13.1
445.36990	33.7
463.38162	100.0
472.96909	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	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.4
54.07155	7.6
55.05513	47.9
57.07087	51.8
61.59401	7.6
67.05504	26.3
69.07080	89.9
69.37297	40.9
69.37724	22.4
71.05007	42.6
71.08636	51.5
74.17508	7.5
79.05497	15.7
81.07061	60.8
83.08631	69.7
84.63515	8.4
85.10194	17.9
91.05501	13.8
93.07056	24.4
95.04968	7.7
95.08603	54.7
97.10178	49.3
98.20808	17.1
99.04477	25.3
105.07066	15.5
107.08612	22.4
109.06503	12.4
109.10165	24.6
111.11729	29.7
113.91058	9.4
118.99267	9.0
119.08582	13.2
121.10123	17.1
123.11768	16.1
125.06005	95.9
127.03954	51.2
131.08586	12.1
133.10159	12.8
137.05968	55.4
139.07552	39.0
145.10179	8.8
149.09566	10.9
149.13266	8.8
151.07567	23.3
157.10020	8.0
161.13274	9.6
165.05534	21.1
167.06970	48.7
177.09125	100.0
179.07025	12.1
193.08618	10.1
224.17307	7.8
399.36310	17.2
403.35599	45.3
417.37033	14.9
427.35995	15.5
445.36746	51.2
463.38065	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	464.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
56.05040	3.0
59.38930	1.5
60.04512	4.3
60.92800	1.5
63.75510	1.6
68.05043	2.9
69.03421	3.9
69.29904	16.1
70.06585	2.2
71.13788	1.7
77.92877	1.6
80.05020	2.4
81.03421	6.0
81.07050	3.8
84.04510	61.4
93.07023	2.8
95.08642	1.9
96.04494	21.3
97.02901	4.8
98.06064	14.5
98.21469	2.9
108.04492	2.7
109.02879	7.8
126.05524	73.2
127.03944	3.2
137.05994	2.4
138.05507	100.0
144.06577	18.3
156.80763	1.7
168.06581	26.6
171.39548	1.6
183.17461	2.3
186.07632	43.8
204.04828	1.8
204.08682	17.6
428.26349	15.0
446.27383	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	464.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01865	2.0
55.05485	1.9
56.05030	1.6
60.04517	4.6
61.95262	1.7
67.05502	2.6
68.05042	1.4
69.03418	5.3
69.07082	2.1
69.73278	9.4
70.06592	3.1
71.04984	2.7
79.05473	1.8
80.05016	3.4
81.03407	6.4
81.07072	7.6
83.04961	1.7
84.04508	55.4
85.02877	3.9
91.05456	2.5
93.07027	5.4
95.08609	3.0
96.04494	21.0
97.02881	5.7
98.06049	12.9
101.02380	3.7
101.87373	1.5
105.07048	2.0
106.69284	1.5
107.08581	4.4
108.04475	2.6
109.02885	7.9
109.10143	4.6
119.03449	7.2
119.08573	2.6
124.41154	1.5
126.05524	67.0
127.03888	5.1
128.89583	1.8
132.97130	1.6
135.11711	4.7
137.05956	2.3
138.05507	100.0
139.05887	1.7
144.06566	20.7
152.85709	1.7
153.12744	26.2
167.07274	1.5
168.06566	25.6
183.17482	1.6
186.07613	41.3
192.07382	1.6
204.08730	15.6
246.09694	1.9
249.70227	1.4
428.26431	12.5
432.15717	1.9
446.27625	4.6
464.17749	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	464.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
55.01876	1.6
55.05518	2.0
56.05045	1.8
57.03475	1.3
60.04534	3.8
67.05493	2.6
68.05029	3.1
69.03427	6.5
69.07070	2.9
70.06593	6.1
71.50526	1.4
79.05492	1.7
81.03421	5.8
81.07055	5.1
84.04508	54.6
84.08165	2.6
85.02924	3.0
91.05480	3.0
93.07063	2.3
95.08608	4.1
96.04496	19.9
97.02911	6.1
98.06056	13.7
99.04467	2.2
105.07056	1.6
107.04955	6.7
107.08581	2.0
108.04498	3.3
109.02885	6.1
109.10168	2.1
119.42331	1.7
121.06548	1.4
121.10188	2.0
123.11655	1.6
124.03925	1.6
126.05531	62.9
127.03933	1.8
133.10100	1.4
137.05992	4.6
138.05507	100.0
144.06551	18.4
167.06973	1.6
168.06572	23.0
186.07626	46.3
204.08716	16.0
214.43283	1.3
271.67502	1.5
428.26373	11.1
429.37604	1.6
446.27628	3.7
464.17792	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	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01866	0.7
55.74131	0.4
57.03419	0.7
61.02915	1.3
68.99793	0.5
69.03425	3.2
70.06578	0.5
71.04979	0.4
73.02932	0.4
81.03380	1.8
85.02909	10.1
87.04478	0.5
91.03937	0.6
91.12364	0.4
97.02895	3.7
99.04460	0.5
107.04947	0.7
109.02888	1.0
117.07010	0.4
120.08135	0.4
121.02875	3.5
123.00786	0.7
125.02360	0.4
127.03914	2.0
131.04933	0.7
145.04955	1.4
145.06473	0.4
153.01843	1.3
169.01320	4.5
173.06053	1.1
181.01294	1.4
183.04367	0.5
190.37532	0.4
201.05511	0.9
229.05055	1.0
257.04422	1.4
258.90271	0.4
259.80075	0.4
274.04834	0.9
285.03992	1.3
303.04996	100.0
304.05405	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.41996	0.6
55.01878	0.9
57.03432	0.7
61.02914	0.9
65.03954	0.7
69.03444	3.3
69.78719	3.2
70.06581	1.0
78.73964	0.5
81.03408	1.9
85.02912	10.1
86.09706	0.7
97.02919	3.7
100.43055	0.6
109.02888	0.8
120.08099	0.8
121.02846	3.0
123.00806	1.1
127.03954	2.6
131.04961	0.8
145.04967	1.5
153.01826	1.4
169.01337	3.1
173.06056	1.1
176.60275	0.6
181.01320	0.8
181.97179	0.6
183.04506	0.7
201.05624	1.5
229.04980	2.2
257.04471	1.4
274.04553	0.6
285.03864	1.2
303.05020	100.0
304.05276	1.9
386.25607	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99217	0.2
53.03936	0.6
55.01863	0.6
55.76207	0.1
57.03426	0.7
61.02932	1.8
65.03947	0.2
68.99800	1.0
69.00117	0.2
69.03077	0.2
69.03432	2.9
69.78214	0.6
70.06589	0.4
71.04978	0.6
72.08134	0.2
73.02915	0.5
81.03420	1.5
84.04515	0.3
84.08108	0.2
85.02909	10.0
86.09695	0.5
87.04480	0.2
89.96300	0.2
91.03948	0.7
93.03411	0.4
93.77856	0.2
93.96011	0.2
95.04930	0.4
97.02895	3.6
98.21452	0.2
99.04464	0.5
109.02892	1.4
111.00819	1.0
120.08111	0.4
121.02870	1.0
123.04424	0.2
127.03922	1.6
135.00848	0.1
135.04468	0.2
137.02348	4.3
137.03410	0.3
137.05983	0.3
145.04971	1.6
145.06583	0.2
149.02341	0.4
153.01839	4.3
155.04912	0.3
161.05988	0.3
163.03920	0.7
165.01837	2.3
166.02617	0.5
168.74754	0.2
173.06010	0.5
183.02904	0.8
183.04359	0.4
187.03908	0.5
195.02858	0.2
201.05490	2.3
205.05006	0.3
211.03903	0.3
213.05389	0.2
215.03323	0.2
219.03062	0.2
219.06618	0.4
228.04211	0.2
229.04961	5.3
239.03580	0.3
247.05962	0.8
257.04483	3.2
274.04764	0.8
275.05591	0.2
285.04001	1.5
303.04999	100.0
304.05432	2.0
315.04987	0.4
345.06125	0.3
353.43451	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03947	0.7
55.01848	0.7
57.03423	0.6
61.02909	1.3
68.99777	0.6
69.03428	3.6
69.49199	3.2
73.02907	0.8
81.03421	2.5
85.02446	0.6
85.02913	8.1
88.92579	0.4
91.03976	0.4
93.03399	0.5
97.02890	2.9
99.04407	0.6
109.02865	1.4
111.00831	0.9
121.02887	0.9
127.03900	2.0
137.02354	2.8
145.04903	1.5
153.01831	4.7
165.01854	2.3
166.02554	0.6
183.02966	0.5
201.05444	2.5
229.04984	5.1
235.93813	0.4
257.04495	3.3
274.04767	0.6
285.03922	1.2
303.05008	100.0
304.05310	1.1
366.13730	0.4
387.57773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	0.2
60.25499	0.1
62.13991	0.1
65.03944	0.2
68.99783	0.8
69.03423	0.2
69.76891	0.6
70.06606	0.1
81.03411	0.2
85.02908	0.3
91.05448	0.1
93.03400	0.3
94.28056	0.1
95.04956	0.4
97.02876	0.1
109.02888	0.6
111.00809	1.2
113.42102	0.1
115.05470	0.1
121.02875	1.3
123.04475	0.2
127.03924	0.3
131.04926	0.2
135.04436	0.2
137.02348	4.3
137.03398	0.2
145.06479	0.3
149.02373	0.5
153.01833	5.1
155.04930	0.3
159.04407	0.1
159.57671	0.1
161.05936	0.4
163.03961	0.7
165.01839	2.6
166.02602	0.4
173.02313	0.1
173.06017	0.5
177.01797	0.1
177.05458	0.2
177.27205	0.1
179.03297	0.1
183.02907	1.0
183.04401	0.3
187.03934	0.6
191.03444	0.2
191.07054	0.1
195.02861	0.2
201.05482	2.5
205.04938	0.3
207.02815	0.1
211.03989	0.1
212.09367	0.1
213.05528	0.2
215.03362	0.2
219.02960	0.2
219.06525	0.4
228.04247	0.3
229.04967	5.7
232.03693	0.1
233.04604	0.1
239.03346	0.2
247.06036	1.1
257.04446	3.7
274.04721	0.9
275.05524	0.3
285.03964	1.5
286.04337	0.1
302.04114	0.1
303.04999	100.0
304.05368	1.5
345.05853	0.2
429.07831	0.1
463.14539	0.1
465.10211	0.6
482.10413	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1372
Annotation	Keyakinol
Peak:m/z	Relative Intensity
51.60529	0.6
52.49004	0.6
55.05531	0.6
63.01989	0.7
69.03423	1.2
69.61355	0.8
70.06583	1.8
70.71273	1.9
75.87693	0.7
76.52989	0.7
81.03421	0.9
81.07055	1.7
85.02907	1.2
86.17110	0.8
91.05463	0.8
93.07022	1.3
95.08607	1.0
105.07053	1.6
107.08562	0.9
109.02800	0.9
119.08553	1.1
122.43837	0.9
123.08102	0.8
137.06017	1.2
155.10469	0.7
159.11769	0.7
201.05241	1.8
216.07578	13.1
216.09453	1.2
217.08369	12.8
227.05312	2.5
271.04181	2.5
285.11340	0.9
303.05029	2.0
308.62170	0.8
312.96628	0.9
334.21707	0.9
379.13773	4.6
421.14716	43.3
465.13724	100.0
466.14087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	0.4
50.74100	0.2
51.02384	0.8
53.03952	4.0
54.45211	0.2
55.05510	0.7
55.95593	0.3
66.62097	0.3
67.05497	1.0
69.03436	0.3
69.29457	2.4
70.06593	0.4
71.04976	0.4
72.08153	3.4
74.54247	0.2
77.03944	0.7
79.05505	0.6
79.92353	0.2
81.03420	14.1
81.07064	1.5
82.07401	0.7
83.08631	0.4
91.05473	0.5
93.07047	1.1
95.04979	1.3
95.08601	0.4
97.02894	8.5
98.28917	0.2
99.02686	0.6
99.04453	0.4
102.04674	0.3
103.05471	45.9
104.05817	0.5
105.04553	0.6
105.07033	0.4
107.08591	0.8
109.02885	43.9
110.03271	0.4
112.61218	0.3
117.07066	0.4
120.08102	7.5
121.10155	0.4
125.02227	0.3
126.12804	0.4
127.03931	2.8
131.04935	100.0
132.05249	1.2
139.03940	2.1
149.13292	0.3
158.93773	0.2
169.04945	1.3
171.14984	0.5
174.12820	2.4
192.07468	0.3
199.14394	0.4
202.52980	0.2
219.14899	1.6
222.12830	0.4
247.14403	0.8
251.48592	0.2
267.14996	0.5
273.10452	0.4
273.19650	0.7
295.14468	0.4
303.04996	0.8
317.10181	0.8
321.19656	0.5
349.18762	0.4
409.06293	0.6
465.18179	0.3
465.30640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
53.03945	4.4
61.05538	0.4
71.45387	0.6
71.45719	0.5
77.03943	0.7
81.03421	14.5
91.37176	0.4
95.04959	1.4
97.02895	8.5
102.04639	0.6
103.05470	46.4
105.04512	0.7
109.02883	43.3
127.03938	3.0
131.04932	100.0
132.05270	1.5
137.57993	0.5
139.03917	2.9
156.75175	0.4
169.04987	1.5
215.18167	0.4
278.19577	0.5
317.10150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.4
51.02375	0.7
53.03951	4.4
70.68495	0.3
70.68800	0.5
70.80636	0.3
77.03925	0.8
79.05502	0.5
81.03422	15.0
81.07040	0.4
91.05486	0.6
95.04978	1.3
97.02903	10.0
99.04494	0.3
102.04699	0.7
103.05472	46.4
104.05820	0.4
105.04508	0.5
109.02886	43.8
110.03277	0.3
117.07070	0.5
127.03920	3.0
131.04935	100.0
132.05223	0.8
135.76082	0.3
139.03889	2.0
165.06891	0.4
169.04997	1.4
183.38219	0.3
250.30205	0.4
275.86227	0.3
317.10156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.3
51.02388	0.8
53.03950	3.6
53.47593	0.2
55.01859	0.3
63.02362	0.2
67.05502	0.5
67.18835	0.2
69.95310	1.0
70.52917	0.2
77.03944	0.6
79.05478	0.3
81.03422	13.5
81.07038	0.5
89.27782	0.2
91.05480	0.5
93.07031	0.4
95.04985	1.2
95.08610	0.5
97.02896	9.1
97.03534	0.4
99.04451	0.6
101.50089	0.2
102.04694	0.5
103.05470	46.2
104.05819	0.4
105.04510	0.7
105.07040	0.5
107.08547	0.2
109.02884	44.6
110.09891	0.2
119.08596	0.3
127.03931	2.3
131.04933	100.0
132.05249	1.1
139.03912	2.2
169.04977	1.4
219.06546	0.7
220.06909	0.3
303.05121	0.3
317.10217	0.7
373.26370	0.3
447.29776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1756
Annotation	Icariside A5
Peak:m/z	Relative Intensity
53.03948	2.1
55.01868	1.3
55.05507	1.0
57.03433	2.9
59.44225	0.9
61.02917	2.9
67.05492	1.7
69.03430	7.7
69.07072	1.3
70.05502	4.1
70.06577	3.2
71.04977	1.0
73.02917	1.6
79.05479	1.8
81.03416	4.3
81.07059	3.6
85.02911	15.9
87.04485	1.7
91.05466	2.5
93.07043	3.4
95.08596	2.1
97.02882	8.2
98.03352	1.1
98.21463	1.0
99.04448	1.2
103.03916	3.0
103.05439	2.3
105.07025	3.9
107.04952	3.5
107.08610	2.4
109.02871	3.0
109.10156	1.5
119.08598	2.3
121.10130	2.0
127.03918	2.7
131.04912	3.9
131.08577	2.0
133.10107	1.1
137.05969	4.4
145.10101	1.7
147.04346	1.6
147.11703	2.0
153.07037	1.2
155.08595	1.2
157.10126	1.1
159.11777	2.4
161.13235	1.2
163.07573	1.2
165.09187	0.9
167.07059	1.1
171.11771	1.3
176.04660	1.7
181.06525	2.1
182.06920	1.3
183.08015	4.6
191.06914	1.3
193.06555	1.2
195.08002	1.5
197.05952	1.6
199.07419	1.9
205.96753	0.9
209.06058	1.8
210.06639	1.3
211.07567	7.7
212.04662	1.4
213.05247	1.5
213.09088	2.2
214.09428	3.2
221.06027	1.7
223.07486	1.9
225.09074	2.2
226.09782	1.3
227.06946	5.2
228.07448	4.5
229.08452	4.5
235.07536	1.4
239.03017	0.9
239.06995	7.4
240.03989	1.3
240.07806	1.7
241.04782	1.5
241.08569	7.1
242.08926	7.8
244.07283	2.2
245.07692	4.2
249.05408	1.2
253.08730	5.1
254.09418	2.5
255.06491	2.9
255.10144	2.8
256.07114	3.9
256.10983	1.4
257.04709	1.7
257.08026	9.8
258.08698	1.1
259.09689	6.7
260.10052	10.4
263.06839	1.8
264.07724	1.9
265.08624	2.0
267.06580	1.6
267.10095	2.6
269.08112	4.2
270.08484	5.6
271.09692	6.1
272.10440	49.8
273.07538	3.3
273.10883	1.5
277.08566	1.8
278.09326	1.3
279.10010	1.2
281.08084	2.8
283.09756	1.5
284.10397	1.4
285.07779	1.3
285.11182	6.3
285.22034	1.5
287.09247	10.9
287.12357	1.8
288.09625	28.2
289.04715	1.2
293.08060	1.8
294.08981	1.1
295.09695	2.6
296.10452	13.3
297.07568	1.3
297.11096	2.0
299.09137	2.2
301.10681	1.9
302.11493	28.3
303.04868	3.5
303.11993	100.0
304.12378	1.6
306.08798	1.5
307.09509	1.6
308.10327	1.3
309.07770	1.1
309.11099	3.0
310.11844	1.2
312.09888	2.9
313.10818	1.2
314.11499	14.1
315.12378	8.3
323.09152	1.2
324.09753	1.1
325.10638	1.8
327.12280	17.5
336.09894	1.1
337.10672	1.6
338.11398	2.8
339.12231	9.4
341.13885	1.5
345.13327	11.6
351.12396	2.1
354.11008	1.1
365.13727	1.6
369.13354	16.9
380.12497	1.2
381.13342	1.2
399.14346	3.3
411.14340	3.6
429.15445	2.5
447.27356	1.5
465.17535	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1757
Annotation	4,7-Dihydroxy-2,3,6-trimethoxy-9.10-dihydrophenanthrene 4-O-glucoside
Peak:m/z	Relative Intensity
53.03928	0.9
55.01890	0.9
61.02917	1.1
67.05489	0.8
69.03434	4.8
70.06577	1.5
70.15436	2.7
71.04980	1.0
71.09996	0.8
73.02908	1.2
81.03412	3.0
81.07030	1.4
85.01122	1.2
85.02912	14.2
86.09724	1.3
87.04471	1.1
91.03963	0.9
91.05455	1.3
95.08575	0.9
97.02904	4.7
99.04433	1.5
104.54707	0.7
109.02875	2.7
121.10139	0.9
123.86302	0.8
127.03915	2.6
129.10240	1.0
137.05937	1.6
138.05490	2.5
138.09196	1.0
145.04997	1.2
152.82228	0.7
153.06960	0.8
163.03918	2.4
166.05028	2.0
168.05838	1.0
176.04645	1.2
183.08054	2.8
191.79243	0.8
195.07980	1.5
197.05972	2.3
199.07484	1.1
205.06436	0.9
210.06781	0.8
210.14981	1.2
211.07524	11.0
212.08244	2.0
213.05421	1.6
223.07536	2.2
225.05449	1.3
225.09056	1.7
226.09839	2.4
227.06924	2.0
229.08624	6.5
229.13297	1.2
239.07043	11.8
240.07658	2.4
241.04977	1.2
241.08595	3.5
242.09253	2.6
243.10266	1.4
245.07855	1.3
253.08604	4.1
254.09389	3.9
255.06482	1.7
255.10150	1.3
256.07187	1.2
257.08060	19.1
257.12518	1.4
270.08719	1.7
271.09683	11.2
272.10437	100.0
273.07660	4.7
273.10989	3.7
285.11203	8.3
287.08682	1.7
288.09872	18.0
296.10385	1.5
302.11398	3.6
303.05072	9.3
303.12234	98.5
304.12512	2.6
312.09949	1.1
314.11426	1.2
319.11008	0.8
327.12259	2.6
341.66986	1.0
369.13266	2.0
377.24255	0.9
422.29889	1.1
465.17755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.6
57.07069	3.6
58.93757	1.8
67.05502	11.1
68.38319	1.8
69.07061	5.3
69.29115	11.2
69.29524	4.9
71.04959	2.4
79.05489	10.4
81.07058	22.3
83.04961	2.4
83.08625	2.4
85.06525	6.5
89.06029	3.6
89.94691	1.8
91.05491	10.3
93.07049	19.2
95.04966	2.0
95.08614	22.0
99.04467	5.5
101.06003	3.3
103.05491	1.7
105.07044	18.9
107.08601	20.7
109.06509	3.7
109.10173	12.5
111.04492	1.9
119.08608	16.6
121.10138	11.2
123.08057	12.4
123.11717	3.2
129.07053	2.6
131.08559	5.7
133.10141	13.2
135.08038	4.1
135.11720	5.5
137.05948	1.9
137.09682	2.6
142.07747	2.6
143.08543	4.6
145.10133	11.6
147.11676	9.2
149.09604	3.5
149.13235	4.0
151.07549	100.0
157.10117	6.8
159.11710	12.4
161.09654	1.9
161.13249	7.4
163.11230	2.8
163.14745	1.9
165.09117	4.0
167.10629	2.9
169.10127	2.7
171.11646	3.7
173.09633	3.6
173.13263	5.5
175.07587	2.6
175.11198	3.6
175.14807	4.0
176.08356	2.1
177.09128	7.7
181.10402	2.0
185.13234	3.2
187.14824	5.4
189.09079	11.1
191.10687	24.7
193.12271	2.3
197.13524	1.7
199.14752	4.6
201.09056	3.6
201.16367	3.5
202.09863	2.6
203.10672	7.5
205.12239	6.8
209.13184	1.8
213.09119	2.0
213.16463	2.9
215.10754	5.7
217.12239	5.4
229.12398	3.2
231.13905	2.5
241.12201	1.9
243.13835	4.4
253.12325	2.3
255.13838	4.1
257.15347	2.5
259.16989	2.1
261.18701	2.3
269.15344	3.6
285.42703	1.8
299.98242	1.9
301.21655	3.0
303.05054	2.9
325.21490	2.3
327.23291	2.1
378.51306	2.0
447.29193	2.4
461.82535	1.7
465.29901	36.5
465.36316	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	465.373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28066	1.7
50.59014	1.6
53.03947	5.8
54.21239	2.2
55.05511	23.4
57.07075	5.0
59.04993	1.8
61.46216	2.3
65.03923	3.5
66.08049	1.8
67.05511	33.6
69.07075	21.8
70.76283	4.4
70.76647	3.7
71.04993	4.5
71.08629	2.8
73.08652	1.9
77.03966	2.1
79.05496	25.6
81.07059	83.8
83.04993	3.3
83.08614	9.9
85.06545	19.5
89.06025	3.0
91.05482	24.5
93.06482	3.8
93.07052	54.1
93.07640	2.9
93.99451	1.6
94.22304	1.7
95.08614	65.5
97.06518	2.6
97.10173	7.0
97.58695	1.9
99.04447	7.4
101.06040	4.7
105.07036	48.4
105.07691	3.4
107.08600	81.2
109.06519	8.5
109.09464	3.6
109.10163	41.1
111.11694	1.9
117.07009	5.5
119.08590	48.6
121.10147	46.7
123.08078	2.6
123.11711	17.8
127.07557	11.5
129.06964	3.8
131.08563	13.7
133.10135	37.2
133.72675	1.9
135.11690	27.0
137.13261	4.6
142.07803	4.0
143.08528	9.3
144.09404	2.3
145.10129	29.5
147.11705	35.2
149.09691	4.3
149.13266	28.4
157.10143	17.9
158.10983	2.6
159.11707	41.3
161.13272	18.8
163.11276	2.1
163.14822	10.7
167.10728	7.1
169.10115	4.9
171.11691	13.7
173.13263	27.7
175.11195	2.4
175.14871	17.5
177.16422	5.7
179.10748	2.3
183.11737	5.7
185.13254	8.1
187.14853	18.4
189.12752	2.1
189.16431	11.9
191.17979	3.2
193.12271	3.3
195.13922	3.1
197.13251	4.8
199.14819	10.8
201.16385	14.4
203.17929	9.1
207.13892	3.6
211.14893	3.1
213.16370	15.3
215.17972	14.5
217.19533	11.3
219.13789	2.6
221.15352	3.8
225.16489	3.2
227.17975	13.5
229.19664	10.8
229.21683	2.6
231.14127	2.5
231.21153	4.7
233.15453	3.2
239.17860	2.2
241.19592	5.6
243.21098	4.4
253.19505	2.4
255.21074	9.7
257.22668	11.3
269.22705	4.4
271.24252	3.7
275.19992	3.5
281.22748	3.2
283.24237	8.0
295.24292	3.5
297.25873	6.0
323.27295	2.5
325.29105	3.4
337.29034	2.2
347.41010	2.2
351.30490	4.7
355.26416	2.1
369.27905	2.7
383.29453	3.9
465.37311	100.0
466.37762	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	465.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.1
55.05514	21.7
57.07077	12.8
63.57457	2.3
64.80991	2.3
67.05515	35.5
69.07070	41.7
71.08646	5.0
71.52328	4.3
79.05501	23.0
81.07061	87.5
83.08636	18.4
85.06542	6.2
85.10164	3.4
89.06002	4.2
91.05505	18.1
93.07053	52.5
95.08611	100.0
97.10174	9.2
99.08082	7.2
105.07040	42.5
107.08610	55.2
109.10165	76.5
111.11727	4.0
113.09619	4.1
117.07012	5.1
119.08588	50.4
121.09333	4.5
121.10159	57.9
123.11710	34.2
125.09608	4.6
128.06250	2.8
131.08556	16.9
133.08604	4.0
133.10144	43.3
135.11697	38.1
137.09604	3.0
137.13245	15.0
139.11121	2.9
143.08566	5.5
145.10152	32.8
147.11699	33.3
149.13264	28.4
157.10155	17.2
157.22920	2.6
159.11708	32.6
161.13266	35.1
163.14824	18.4
165.16386	2.9
171.11710	9.5
173.13263	32.3
175.14812	22.8
177.16422	13.6
183.11708	2.9
185.13264	8.7
187.14821	26.1
189.16400	21.7
191.17993	6.3
197.13315	5.3
199.14854	10.2
201.16400	16.7
203.17949	20.9
205.19504	4.9
213.16365	12.7
215.17978	16.1
217.19496	10.1
227.17957	7.3
229.19594	8.7
231.21109	6.0
241.19525	9.9
243.21101	7.6
255.21028	5.6
257.22699	8.8
269.22681	5.7
271.24182	7.2
273.22232	2.9
283.24399	4.4
285.25735	5.2
297.25662	4.4
323.27585	3.2
325.28986	3.1
339.30551	6.2
341.28427	4.3
381.31396	3.0
407.37439	3.7
447.39639	9.2
465.41409	88.6
466.41278	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	466.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01867	2.6
55.05505	4.5
67.05489	4.6
69.03419	5.2
69.07059	4.5
70.06606	7.2
71.04999	22.6
71.23248	3.2
72.08138	1.4
73.02914	7.9
73.06553	8.5
79.05507	7.0
81.03409	4.3
81.07066	10.4
84.08142	5.0
84.09986	1.4
85.02910	9.9
85.06529	5.4
86.09721	7.5
87.00831	3.7
87.08047	1.5
91.05492	3.6
93.07040	8.3
95.08630	4.9
97.02896	5.1
97.06550	15.0
99.04474	1.7
99.08102	33.3
105.01866	3.1
105.07037	6.2
107.08599	6.8
109.02862	4.4
109.10151	2.2
119.08600	2.9
120.08098	4.6
121.10187	4.3
123.08038	2.0
123.11707	3.2
127.03933	6.7
127.07545	12.9
136.07584	2.6
137.05930	1.7
137.13293	6.8
144.71819	1.4
145.04965	3.8
145.06549	1.4
147.11690	8.2
149.13156	1.8
150.85626	1.6
155.99364	1.3
159.02858	1.4
164.07100	1.4
165.12767	12.5
183.13818	100.0
231.05145	2.1
235.38234	1.5
258.11084	2.4
303.04993	10.2
304.05310	23.8
411.95914	1.6
431.19604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.05509	4.7
57.03430	5.5
61.02915	2.2
65.01270	2.0
67.05511	20.6
69.07055	7.1
70.06590	2.9
70.76062	4.9
79.05487	13.2
81.03380	2.7
81.07061	27.9
83.08600	4.6
85.02920	3.9
85.06557	3.8
89.22488	2.3
91.05479	8.9
93.07047	24.8
95.04968	2.4
95.08591	8.8
97.06503	5.0
105.07028	6.4
107.08603	13.8
109.10159	2.9
111.08067	3.8
117.06982	3.6
121.10134	8.6
133.10130	4.8
135.11700	4.5
137.05907	2.1
149.13266	15.5
159.11705	7.3
160.94872	2.3
177.12740	4.5
195.13799	3.6
269.17490	100.0
274.03043	2.4
366.97675	2.1
479.49356	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	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66328	0.8
51.17180	0.8
53.03922	1.1
54.23827	0.9
55.05522	5.5
57.03436	3.3
61.02908	1.4
67.05181	1.6
67.05511	21.6
69.03416	1.3
69.07072	7.7
70.70312	2.6
71.05003	1.0
72.08166	1.3
74.79824	0.9
79.05501	10.5
81.03418	1.9
81.07059	31.2
83.04989	2.7
83.08609	5.9
84.08214	0.9
85.02910	4.0
86.44146	1.0
91.03973	1.1
91.05506	6.2
93.07052	19.0
95.04977	2.3
95.08625	7.7
97.02904	1.9
97.06536	4.5
102.89970	1.0
105.07037	2.9
107.08608	11.1
109.02874	1.3
109.10124	1.7
111.08086	3.6
117.07022	3.2
119.08600	2.1
121.06511	1.0
121.10147	6.3
123.11697	1.1
127.03889	1.5
131.08543	4.4
132.95845	3.1
133.10117	2.9
135.11688	3.8
145.10117	1.3
149.13275	14.8
159.11687	7.2
174.96938	3.4
177.12730	4.8
178.21819	0.9
179.14304	0.9
195.13826	8.7
213.14827	1.4
269.17499	100.0
270.17902	1.5
279.03976	1.0
299.02890	0.9
354.66782	1.0
356.33990	0.9
474.36514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.2
57.07074	1.6
58.53184	0.6
61.88652	0.6
67.05228	0.6
67.05511	6.5
68.05024	1.2
69.07075	4.9
69.17113	6.2
70.06571	1.1
74.18538	0.5
78.91752	0.5
79.05503	3.3
81.07063	6.0
82.06583	3.1
83.08617	1.1
91.05492	5.0
93.07053	7.8
94.06572	4.5
95.08611	22.6
96.08152	4.1
97.10184	0.6
105.07036	6.4
107.08603	10.8
108.08140	2.9
109.10161	4.7
112.59181	0.6
117.07040	1.1
119.08582	6.0
121.10159	4.6
122.09702	1.2
123.11707	2.2
124.11230	8.6
129.07011	0.9
131.08575	3.3
133.10130	8.5
135.11691	4.8
145.10127	4.7
147.11682	4.4
148.11234	9.2
149.13249	1.1
150.12784	14.3
157.10158	1.2
159.11676	2.7
161.13252	1.6
163.00755	0.5
163.14874	0.9
171.11703	1.1
173.13297	1.9
175.14848	1.3
187.14833	1.4
188.14253	0.7
189.16418	4.9
201.16386	2.1
203.18098	0.6
207.17496	2.7
239.17819	0.6
247.17023	0.6
287.57693	0.7
372.46426	0.6
391.33658	1.1
409.34787	0.6
410.34332	0.8
466.40494	100.0
467.40820	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
54.87647	2.0
55.01880	3.1
55.93526	3.8
56.94303	4.2
56.96557	3.5
57.03438	3.6
61.02921	7.2
69.03432	15.7
69.71351	10.4
70.95854	2.1
71.04984	3.2
72.93795	11.3
73.02908	2.7
81.03410	8.7
84.08138	2.1
85.02911	46.3
86.95274	2.2
88.96862	2.3
90.94830	7.8
91.05499	11.7
97.02895	29.2
98.97577	6.8
99.04464	3.9
102.94812	3.9
104.96401	4.2
107.04973	10.3
109.02885	6.9
116.98606	3.0
119.01875	2.0
119.04948	20.1
121.06510	5.0
122.03677	4.0
122.97380	2.4
124.05196	3.8
127.03922	7.5
131.04944	4.7
132.95839	21.7
133.02853	8.6
134.97429	2.4
135.04405	5.8
137.05984	100.0
143.01936	2.9
144.95854	12.3
145.04967	8.2
147.04417	74.8
148.98955	3.3
149.06004	4.9
150.92404	4.3
150.96819	3.2
158.93723	6.0
158.97440	17.3
160.99004	3.3
161.03017	3.6
162.96846	4.4
166.06247	2.5
167.07053	3.7
168.93497	3.7
168.95854	3.2
170.97374	3.1
174.96886	6.6
176.94879	4.8
176.98433	4.5
179.07018	18.0
180.07843	4.3
180.93517	4.3
186.96918	9.6
192.93422	2.4
192.99489	4.2
194.97430	15.8
198.94690	3.4
198.96904	8.5
200.94781	3.2
202.96375	3.0
204.05446	2.3
204.93504	3.2
209.96103	4.3
210.96936	2.7
212.98483	8.5
216.97906	10.9
218.95830	2.5
219.01759	4.4
220.97411	2.2
226.95624	8.7
232.97395	3.3
234.98987	33.5
235.97598	4.6
239.00003	3.8
241.94307	2.9
244.96674	7.4
245.04965	2.6
251.00064	12.7
252.95615	51.5
254.95067	4.6
256.96735	4.7
260.96899	4.1
268.96692	4.1
269.01056	6.1
270.96661	8.8
270.99301	2.4
275.99158	10.9
277.01431	2.4
281.01077	3.8
286.94836	4.1
286.97678	21.1
293.01111	6.5
301.36603	2.1
305.00967	6.5
305.06320	4.9
311.02118	4.3
323.02194	7.5
339.12552	5.2
346.96976	15.4
347.02026	5.9
353.03198	2.7
363.01767	2.7
363.12469	2.6
376.98346	2.5
377.03030	3.1
380.01672	3.0
383.04233	39.1
383.32791	2.6
395.04349	8.5
401.05435	5.6
406.98944	6.6
413.05338	99.8
414.05215	2.4
419.01962	19.7
449.02853	2.6
467.11615	46.9
467.18707	6.4
467.20844	5.3
485.02084	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.6
55.37479	1.3
57.07074	2.1
58.83973	1.3
62.00077	1.4
67.05486	2.3
69.07076	2.3
70.06586	2.6
71.13397	1.4
72.56971	1.6
79.05497	3.3
81.03407	4.4
81.07053	3.0
88.07628	2.9
91.05492	19.9
93.07041	2.8
95.08607	2.6
98.21521	3.3
103.01899	1.4
103.05473	16.7
105.07047	2.2
107.08619	1.4
107.57743	1.4
109.02893	2.5
109.06533	1.5
109.10143	2.7
115.05475	7.0
117.07024	1.9
119.08578	2.7
122.08285	1.5
127.03940	7.4
128.06232	17.9
129.02364	1.5
129.07021	7.8
131.04938	33.3
131.08571	8.0
137.05983	2.7
141.07042	6.7
143.04903	3.7
143.08580	23.6
144.05644	2.1
145.06499	3.8
145.10162	2.4
146.03654	2.1
147.04420	4.1
149.02332	8.1
150.02704	3.3
151.07552	1.9
155.06061	2.4
157.06531	3.6
158.07291	3.9
159.04413	1.5
159.08066	6.1
160.05211	4.5
161.06018	17.8
162.06766	3.3
163.07425	1.6
169.06441	3.3
171.08061	30.2
172.08702	2.3
174.06789	25.7
175.03934	5.3
175.07565	19.6
177.05467	1.5
179.07068	12.8
182.15291	1.5
186.06807	4.9
188.08321	10.3
189.09142	17.0
193.04962	7.4
193.08580	3.0
194.05331	3.1
201.09123	31.5
203.10690	100.0
204.11053	2.1
205.05006	4.4
207.06544	60.8
219.10181	42.8
237.07611	6.4
238.07948	6.8
247.06030	9.5
249.63493	1.4
256.26303	3.7
257.26672	4.8
408.77603	1.4
452.76495	1.7
458.31247	1.6
467.14941	3.3
467.32220	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	467.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06042	1.4
55.05502	5.8
57.03439	8.9
57.07080	30.3
66.71297	1.3
67.05508	10.9
69.07064	5.8
69.17009	13.4
69.24879	1.3
71.08636	24.8
79.05464	3.4
81.07067	14.3
83.08224	1.1
83.08624	9.1
83.12035	1.3
85.06527	1.4
85.10204	13.2
93.07042	1.7
95.08160	1.3
95.08620	15.5
95.98692	1.4
97.10152	4.3
98.98477	46.7
109.10160	9.9
123.11726	3.2
127.88789	1.2
136.99971	3.9
137.13281	1.8
149.56100	1.1
151.07608	1.7
155.01050	50.8
187.07567	2.1
193.02547	1.4
211.03773	1.5
229.04738	2.9
239.23685	4.3
251.63597	1.3
259.83719	1.2
260.53751	1.4
271.98035	1.2
313.27383	100.0
449.26663	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	467.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01897	1.1
55.05510	4.3
57.03440	10.7
57.07082	40.0
57.28839	1.1
57.84337	1.1
62.93475	1.1
67.05509	13.9
68.60529	1.1
69.07068	9.3
69.17164	9.8
69.17577	2.5
70.43787	1.2
71.08639	29.3
71.92474	1.2
75.78797	1.3
79.05474	2.1
81.07065	19.1
83.08611	9.5
85.10191	12.9
89.06033	2.7
93.07039	2.5
95.08612	23.1
97.10173	4.0
98.98472	54.5
107.08582	1.2
109.10159	11.8
119.08596	1.4
123.11707	3.4
127.54806	1.1
136.99985	4.2
151.07529	2.1
154.47810	1.4
155.01047	49.8
177.95239	1.3
185.48276	1.5
193.02611	1.6
211.03677	1.3
229.04803	2.7
239.23766	6.5
264.99771	1.4
313.27380	100.0
314.27658	2.2
396.39005	1.3
449.26721	14.0
467.37225	3.6
482.98392	1.3
486.06039	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01887	4.5
55.05512	19.5
57.03444	27.4
57.07072	2.7
59.99954	2.4
61.02925	13.0
65.03944	2.2
67.05510	53.0
67.29963	2.2
69.03439	17.4
69.07064	14.9
71.01348	8.9
71.04993	5.0
71.51255	3.3
71.51621	2.1
73.02919	100.0
79.05074	3.1
79.05499	30.4
81.03410	6.7
81.07056	56.5
83.04969	4.2
83.08616	8.4
85.02915	13.4
85.06515	3.7
87.04469	4.4
89.06007	2.9
91.05479	31.1
93.07047	41.9
95.04985	9.8
95.08607	37.6
97.02899	15.0
97.06540	4.3
97.10102	2.6
99.04441	3.2
103.03989	2.7
105.07037	28.9
107.04936	2.6
107.08607	25.4
109.06517	7.2
109.10153	20.2
111.08096	2.6
115.03935	15.6
117.07014	11.5
119.08585	18.7
121.06486	3.8
121.10133	20.2
123.08053	5.0
123.11719	5.3
125.09653	3.3
125.61477	2.0
129.07014	7.9
131.08568	17.0
133.04961	4.6
133.10136	17.1
135.08017	2.6
135.11731	11.4
137.09619	3.8
141.06976	3.3
142.07817	2.3
143.08559	5.8
145.10135	16.2
147.11707	14.8
147.46582	2.4
149.09607	6.1
149.13237	6.0
151.07549	2.5
151.11162	2.1
157.10150	5.5
159.11688	9.3
161.09584	2.2
161.13283	7.0
163.14833	2.5
171.11681	3.6
173.09711	3.3
173.13170	9.8
175.14737	4.3
177.12814	2.5
179.98328	2.4
183.11667	2.6
185.13263	4.1
187.11230	3.0
187.14847	4.9
197.13283	3.6
199.14983	2.6
209.13161	2.2
212.60980	2.1
259.16693	2.3
261.22189	8.8
285.22009	3.1
289.21844	2.4
301.21655	3.5
303.23300	3.5
315.23096	2.7
329.24908	3.3
333.24194	2.7
335.25861	19.2
339.23303	3.9
341.32248	2.4
357.24265	6.7
375.25479	2.4
431.27914	4.3
467.30170	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	467.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	11.9
57.03426	1.8
57.07082	32.1
59.04992	2.3
65.03940	4.3
67.05510	100.0
69.07057	10.7
71.04999	2.4
71.08635	27.4
71.52312	1.6
73.50502	1.5
75.65945	1.4
79.05495	5.7
80.67767	1.6
81.07061	35.6
83.05032	1.6
83.08634	15.4
85.06545	3.8
85.10199	14.0
89.06014	4.2
91.04920	1.7
91.05485	6.0
93.07067	6.1
95.08611	28.2
97.10199	4.4
99.11675	1.7
105.07043	3.3
107.08592	4.3
109.10167	76.2
111.08097	3.4
111.11750	3.1
119.08605	7.9
121.10152	2.8
123.08138	1.9
123.11739	5.9
127.88607	1.4
133.10130	1.7
137.09645	2.4
137.13258	1.6
145.10132	2.3
148.83694	1.6
151.14684	1.5
152.94034	1.6
155.10672	4.1
157.39256	1.7
173.11748	20.8
173.13155	2.1
221.22525	2.4
239.23631	9.4
248.80324	1.5
283.17612	1.8
296.87332	1.6
339.36902	2.3
351.61472	1.6
384.55670	1.8
449.37689	1.6
467.37546	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	467.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.05516	22.1
57.07060	9.9
67.05502	51.1
69.03426	8.4
69.07068	24.0
69.37127	3.0
69.57256	22.0
71.08630	6.8
71.28440	2.7
79.05486	30.3
81.06591	5.1
81.07063	100.0
83.08617	11.5
85.06551	22.2
85.10159	4.4
89.06013	6.5
91.05470	27.2
93.07046	69.3
95.04987	4.1
95.08612	96.5
96.98847	3.0
97.06532	6.6
97.10159	6.8
98.78490	3.3
105.07035	56.7
107.08602	68.6
109.06519	4.4
109.09472	4.5
109.10159	52.3
111.08086	7.1
112.34323	2.9
112.36437	3.2
113.06011	3.3
119.08588	55.5
121.10151	55.0
123.08086	3.1
123.11714	25.1
125.09592	14.0
129.06961	4.1
131.08566	20.6
133.08627	3.6
133.10132	40.1
135.11688	40.8
137.13257	5.2
139.03885	3.9
139.07567	4.4
139.11188	6.9
141.09091	3.8
143.08566	10.0
145.10121	34.7
147.11656	36.9
149.13275	28.6
157.10107	14.7
159.11684	33.2
161.13284	28.5
163.14839	14.6
169.10126	5.6
171.06535	4.9
171.11659	11.6
173.13240	19.5
175.14835	18.9
177.16389	8.4
183.11684	5.2
185.13228	9.5
186.31650	3.0
187.14798	13.2
189.16393	11.6
191.18057	4.1
197.13258	6.9
199.14830	10.1
201.16409	10.1
203.17970	10.3
205.77791	3.4
209.13257	3.7
211.14828	5.8
213.16441	9.5
215.17955	11.3
217.19516	5.8
227.17851	3.7
229.19522	8.8
230.28893	3.2
239.18082	4.4
241.19556	4.2
255.21150	3.9
257.22906	4.5
283.24008	4.3
339.30389	6.5
413.96869	3.5
431.36285	11.9
449.37842	39.6
467.38770	66.7
468.38895	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	467.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31373	2.5
53.03949	4.3
55.05521	15.1
57.07061	11.7
65.03963	3.0
67.05511	47.1
69.07071	18.1
71.08649	4.0
71.52029	3.2
77.03897	2.7
79.05502	32.7
81.06590	6.0
81.07062	100.0
82.07372	3.7
83.04964	2.9
83.08620	9.1
85.06551	34.2
87.04474	2.8
89.06008	3.2
91.05484	30.5
93.07047	74.6
95.08613	74.0
97.06533	5.4
97.10182	6.9
99.08075	3.8
105.07043	46.7
107.08602	56.1
109.10159	45.2
111.08114	7.0
111.11774	3.2
117.07068	8.5
118.90739	3.1
119.08591	43.4
121.10161	41.0
123.08101	3.4
123.11671	15.5
125.09710	3.3
129.07062	6.3
131.08575	16.5
133.10127	31.0
135.11707	36.8
137.13300	4.3
143.08606	6.7
145.10147	23.6
147.11694	21.2
149.13246	25.0
151.07594	3.9
153.12723	5.8
155.08569	3.8
157.10094	14.1
159.11711	25.3
161.13240	19.5
163.14839	11.0
169.80507	3.2
171.11746	7.8
173.11855	5.4
173.13287	14.8
175.11275	3.0
175.14850	10.3
175.30887	3.0
177.16437	6.8
181.12199	4.1
183.11705	3.7
185.13309	8.8
187.03749	6.2
187.14893	8.1
189.16454	11.6
191.14328	4.5
191.17978	2.8
199.14969	4.0
201.16422	7.7
203.18044	6.1
209.13388	3.5
209.15390	6.0
213.16322	3.5
215.18065	6.8
217.19604	8.2
227.17986	3.3
229.19475	4.0
271.24188	4.6
301.25604	3.6
309.25565	3.0
431.36844	4.5
449.38019	16.1
467.38330	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	468.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94494	0.7
69.94907	1.9
70.06572	0.9
71.04974	0.5
80.02392	0.9
81.01897	0.6
81.03204	0.9
82.02692	0.6
84.08138	0.6
85.02895	1.7
88.68006	0.4
100.02195	1.0
107.04977	0.6
116.07120	0.6
121.05029	0.6
122.05791	4.6
136.07555	0.4
137.05997	0.5
138.05424	0.6
139.06055	1.7
142.06499	0.6
146.02715	1.8
155.70006	0.4
160.07565	0.8
162.02885	1.3
164.03716	0.5
166.04814	0.5
169.04716	0.8
171.05029	0.9
182.33020	0.4
184.05803	4.2
186.05986	0.4
202.45195	0.5
226.06763	2.3
253.16824	0.5
256.07983	0.5
270.11627	0.7
288.12665	1.0
306.13861	0.8
312.10526	2.0
322.12704	0.7
328.10098	3.7
438.13800	0.7
468.14749	100.0
469.15094	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47646	1.0
50.76032	1.1
53.84792	0.9
55.05512	2.4
55.50476	1.2
56.05017	1.4
57.03441	9.8
59.05022	1.4
61.02921	1.6
61.31132	1.0
68.46159	0.9
69.03429	6.3
69.64335	2.5
69.64751	3.4
70.06599	3.2
71.01347	2.7
71.04996	37.8
73.02922	4.1
73.09480	1.0
74.06116	1.3
75.04485	3.4
78.36519	1.0
81.03414	2.4
83.04984	5.5
84.08155	2.6
85.02911	57.4
87.04467	2.5
95.04906	1.2
97.02902	6.9
98.97604	1.1
99.04483	2.7
101.06019	1.1
102.05589	1.2
107.04957	3.4
109.02876	1.3
110.07153	2.1
111.04456	4.3
113.55880	1.0
115.05442	6.0
116.07075	1.4
120.08111	1.5
127.03932	3.6
129.05493	9.4
130.06538	6.6
132.08099	4.7
142.06522	39.7
143.07314	7.0
144.08121	8.8
145.04974	1.9
147.06516	4.2
156.08087	1.2
158.06029	6.2
159.06789	5.1
160.07590	100.0
172.07603	1.8
322.12875	32.6
329.05688	1.2
405.14413	1.7
468.19083	89.7
469.19089	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3088
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.95929	0.4
56.05033	1.4
57.03425	1.0
57.07077	4.1
58.06596	1.5
60.08166	18.1
67.05503	1.2
69.07056	0.5
69.26393	3.8
71.07379	6.1
71.08618	2.0
81.07067	1.0
83.08626	0.5
83.25650	0.5
85.10197	0.7
86.09709	49.1
87.10033	0.5
95.08592	1.7
95.52837	0.4
98.98473	3.7
104.10745	100.0
109.10179	0.7
113.93412	0.4
123.11709	0.6
125.00005	28.5
132.05273	0.9
163.01601	0.7
183.41940	0.5
184.07346	94.4
186.35660	0.4
189.26390	0.4
237.38013	0.5
258.11038	0.9
285.24258	2.4
346.62561	0.5
450.29816	7.5
468.30899	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	468.3089
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
55.05501	3.9
57.03445	4.5
57.07079	33.9
58.07379	1.1
59.05007	1.1
60.00018	0.8
62.06090	27.0
62.45184	0.9
65.61378	0.8
67.05508	7.3
69.07073	6.5
71.08636	25.6
72.08945	1.0
73.06520	1.3
81.07059	8.8
82.07351	1.5
83.08614	3.8
85.10181	15.9
87.04457	1.2
87.80398	1.0
89.06034	18.9
93.07054	1.2
95.08624	9.2
97.10153	4.3
98.98474	9.5
99.11734	2.2
109.10164	5.7
111.11728	1.6
121.10103	0.9
123.11668	1.2
124.01627	1.4
131.08583	0.9
133.07820	1.0
133.08627	12.5
137.13251	1.3
142.02654	1.4
151.07573	1.2
155.01064	10.0
173.02124	1.1
177.11232	3.3
185.76534	1.1
198.05156	1.7
216.06358	2.1
226.57425	1.0
283.17493	6.1
296.29474	14.6
314.27713	7.2
327.28940	100.0
328.29190	2.6
407.25549	6.0
441.36026	1.0
450.30591	1.4
451.09033	0.9
451.36285	3.6
455.44031	1.1
469.33423	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1681
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
53.42104	0.6
56.05027	0.6
60.04517	0.6
63.94584	0.6
70.06596	8.3
71.05013	0.7
72.08173	3.7
78.14275	0.5
81.03391	0.6
81.70552	0.6
83.01087	1.3
84.04491	1.2
84.08152	3.4
84.08556	0.7
85.02908	1.6
86.09710	2.8
95.01091	2.5
95.08619	0.7
96.01892	0.8
98.97556	0.8
104.05299	0.6
110.07150	2.4
111.00607	0.6
113.02119	3.8
119.04921	0.9
120.08098	2.0
121.02831	0.8
129.10260	1.7
133.02863	1.0
137.06000	0.8
157.04723	0.8
163.03925	3.8
167.03279	0.7
167.08257	0.8
182.03326	0.8
185.04240	6.3
191.03664	1.1
201.03732	1.6
203.05304	1.0
217.04788	1.4
219.01793	0.7
232.04695	0.8
232.07076	13.8
255.02899	0.8
259.07959	2.6
272.05466	4.8
275.08771	1.4
337.07376	0.9
377.73868	1.3
438.14914	2.4
439.15576	1.7
469.11169	3.5
469.16846	100.0
470.16638	2.9
477.83316	0.7
483.51868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.6
55.60595	0.6
57.56977	0.6
58.52750	0.8
59.35827	0.7
65.03940	0.8
67.05506	1.1
71.51337	1.3
79.05496	10.2
81.07036	1.3
83.05020	0.8
86.09717	0.7
91.05462	3.3
93.07043	2.3
95.04961	2.1
95.08622	1.5
97.94476	0.6
103.05481	7.7
104.10729	1.7
105.07034	86.9
105.11115	1.0
106.07373	1.7
107.08607	1.2
109.06478	1.0
109.10120	0.7
119.08563	1.9
121.06486	1.1
121.10147	1.1
125.18705	0.7
131.08615	0.8
133.06627	0.6
133.10152	1.0
137.06020	1.2
141.07011	0.9
143.08537	0.9
147.11671	1.0
152.06287	0.9
153.07013	4.4
155.08545	1.2
157.10172	1.0
165.06979	0.9
167.08546	0.7
170.07327	1.1
171.07993	0.9
180.05719	1.4
181.06441	5.1
182.07280	2.7
183.08063	0.8
184.07385	2.5
185.09639	3.0
187.07701	0.8
195.08099	2.3
198.06796	7.0
211.07628	0.9
213.09097	10.4
227.07074	1.3
240.07404	0.7
241.08604	100.0
242.09280	6.9
253.08582	0.8
261.66977	0.8
293.05243	0.7
299.10794	1.0
301.12003	1.0
315.10263	1.0
316.10916	1.0
317.11533	1.3
329.11694	1.0
331.13412	1.2
345.11288	1.7
345.14935	1.5
346.11981	1.6
347.12958	1.2
359.12897	2.2
363.12247	0.9
364.13168	2.3
365.13974	1.3
373.14099	1.4
377.13953	4.5
391.15448	2.8
451.19354	3.6
469.20142	41.3
470.20438	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.5
55.05514	4.8
65.03936	1.6
66.08913	0.9
67.05515	12.5
69.03475	1.3
69.07069	4.0
70.21472	3.2
70.21817	1.9
71.05003	1.7
79.05505	19.2
81.07066	88.0
83.04978	2.5
83.08643	1.9
85.06536	1.3
91.05490	13.9
91.64650	1.1
93.07053	12.7
95.04985	4.0
95.08609	14.9
97.06543	3.3
99.08134	1.7
105.07051	15.1
107.04935	1.4
107.08607	18.3
109.06524	39.7
109.07274	2.0
109.10169	11.6
111.08090	2.1
117.07023	5.7
119.08604	18.2
119.65130	1.1
121.06513	2.9
121.10144	8.6
123.08067	7.8
123.11739	6.1
125.09622	2.0
126.34047	1.1
128.06239	1.8
129.07019	3.7
131.08568	11.1
133.10143	15.4
135.08061	10.7
135.11716	6.1
137.09615	3.0
139.11235	1.5
142.07826	1.8
143.08537	8.3
145.10133	13.3
147.08089	1.4
147.11703	9.1
149.09653	6.2
149.13255	1.1
151.07553	3.4
151.11151	2.5
155.08611	3.0
157.10155	12.7
159.11729	12.1
161.09625	3.2
161.13281	4.4
163.11151	5.0
165.12773	2.0
167.08540	1.2
168.09308	1.1
169.10118	6.0
171.11708	6.5
173.09660	2.8
173.13290	9.4
175.11163	2.4
175.14871	2.1
177.09132	1.0
177.12753	2.9
179.08640	1.0
179.10686	2.4
181.10162	2.4
181.12215	1.8
183.11707	5.2
185.13326	6.8
187.11131	1.9
187.14870	6.1
189.12791	3.9
191.14369	3.5
193.12277	1.6
195.11778	2.6
197.13318	4.4
199.14809	6.4
201.12761	4.0
201.16431	2.8
203.14305	5.6
205.15999	1.1
207.13643	1.1
209.13234	2.4
211.14841	4.4
213.16374	5.1
215.14360	3.2
215.18021	1.4
217.15936	2.2
219.00067	1.1
219.17342	1.1
223.14775	2.7
225.16440	2.1
227.14365	2.9
227.17987	3.5
229.16110	1.3
229.19577	3.7
229.88277	1.2
231.17422	3.1
237.16580	1.2
239.17845	1.3
241.15942	2.2
243.17439	2.1
245.19032	4.5
253.19510	1.5
255.17613	2.2
259.20590	1.9
269.19144	1.6
271.20633	6.8
275.18069	1.2
287.19958	1.2
289.21658	10.9
295.20450	1.2
297.22229	1.0
309.22360	2.2
311.23587	2.4
323.23666	1.2
327.23270	1.4
335.23737	2.3
337.25220	2.8
349.25482	1.4
351.26886	6.8
353.24780	1.8
355.26401	1.7
361.25241	2.8
367.26343	3.8
369.27902	2.9
379.26398	26.4
397.27408	100.0
398.27618	3.4
433.31024	3.0
451.32196	8.1
469.33298	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	471.1809
Annotation	Plagiochin A
Peak:m/z	Relative Intensity
52.39423	0.7
53.03947	1.1
55.05505	2.1
57.07071	1.4
58.09647	0.7
67.05517	6.8
68.82975	0.8
69.03396	0.8
69.07073	2.0
69.25986	1.8
69.26395	4.6
79.05505	4.5
81.07068	13.8
83.08620	1.1
85.06587	0.7
89.06017	1.1
91.05490	4.7
93.07059	6.1
95.08620	7.4
97.10168	0.7
105.07027	6.9
107.08603	8.1
109.06540	3.5
109.10155	5.5
111.08118	0.8
115.05497	0.8
117.07030	2.9
119.08587	6.4
121.06445	1.4
121.10148	5.5
123.08117	1.2
123.11759	2.3
129.07014	1.5
131.08549	3.5
133.06593	0.7
133.10147	5.1
135.08090	1.1
135.11678	4.2
137.06006	1.1
137.09653	1.0
137.13260	0.9
142.07765	0.8
143.08588	1.3
145.06479	1.0
145.10114	4.8
145.14178	0.7
146.07318	0.8
147.08080	0.9
147.11714	3.1
149.09625	2.0
149.13271	1.6
151.07570	3.4
157.10165	2.1
159.11697	5.8
161.06004	2.2
161.13257	2.4
163.07521	3.3
163.14853	2.2
169.10222	1.0
171.11778	2.3
173.13341	3.4
175.07515	3.7
175.11232	1.3
175.14844	2.2
177.09131	9.2
178.07764	0.8
179.08580	1.9
181.06381	0.7
181.10077	0.8
183.11632	0.9
185.13269	2.2
187.07538	1.0
187.14848	2.7
189.16389	2.0
193.06447	1.2
195.08075	0.9
197.13280	0.8
199.14867	2.0
201.16483	1.0
202.18155	0.7
203.06964	1.5
203.14272	0.9
203.17940	0.8
205.08623	2.2
208.08846	4.2
209.06030	1.2
215.18015	2.0
224.08298	6.3
227.14395	0.8
227.17987	1.3
229.19600	2.2
235.07568	1.3
239.10683	7.1
240.11499	1.1
241.19820	0.9
243.21165	1.8
251.10698	2.6
255.21172	1.4
261.22137	4.4
267.10202	11.9
325.29016	2.6
327.51907	0.9
343.30011	1.1
349.12570	1.0
353.28290	1.1
363.27060	1.2
364.11130	1.2
377.11884	1.6
379.13550	1.2
380.10257	1.8
380.14566	0.8
381.15146	0.9
381.27847	6.6
385.14142	0.9
394.15891	1.1
395.12842	2.5
396.13132	1.4
397.14304	0.8
399.28955	13.3
407.12610	1.0
410.15125	2.4
411.16318	1.2
415.19278	1.8
421.14514	1.7
423.12317	2.2
425.17831	1.5
437.13889	1.0
438.14688	5.0
439.15717	1.7
453.17001	1.6
453.33670	2.3
456.15747	2.2
471.18091	100.0
471.34604	6.9
472.18387	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	471.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.05514	8.9
57.03436	2.7
57.07082	2.4
59.04998	2.2
64.47762	1.5
67.05510	10.6
67.62493	1.5
69.03436	14.0
69.07082	6.0
70.06607	5.0
70.15470	5.4
71.04993	4.1
72.08154	2.2
79.05485	13.1
81.03441	7.5
81.07068	22.1
83.05001	6.0
83.08637	5.7
84.08160	2.1
85.02895	8.1
85.06542	2.3
86.09737	3.6
91.05486	16.5
93.07065	15.4
95.04979	4.3
95.08617	25.8
97.02920	6.5
97.06553	4.1
97.10201	1.8
100.36752	1.6
101.02407	4.4
103.05502	2.5
105.07048	22.4
107.04955	8.5
107.08608	39.7
109.02924	6.4
109.06524	8.2
109.10164	21.3
111.04485	2.5
111.08134	5.2
115.05508	1.8
117.07076	4.6
119.03445	8.5
119.04992	5.6
119.08600	22.1
120.08175	2.1
121.06583	2.5
121.10154	30.1
122.07327	6.3
123.08127	4.9
123.11775	5.3
125.09683	4.7
127.03948	6.2
129.07031	2.0
131.08559	10.0
133.06592	1.6
133.10141	92.4
135.08043	13.2
135.11740	7.7
137.06047	7.2
137.09631	45.4
139.11230	2.5
143.08627	4.6
145.10143	12.5
147.04433	21.6
147.08154	4.9
147.11705	10.1
149.09688	5.3
149.13292	15.7
149.35019	1.6
151.11206	19.5
157.10258	5.5
159.11777	9.1
160.92070	2.0
161.06046	2.1
161.09625	2.3
161.13303	7.1
163.04015	4.7
163.07607	2.0
163.11255	2.0
163.14886	6.7
165.09193	4.2
169.10226	1.9
171.11697	4.4
173.13257	12.7
175.07602	3.5
175.11230	2.5
175.14929	7.5
177.16519	3.9
183.11671	2.4
185.13390	2.6
187.14838	10.0
189.16470	5.8
191.14328	48.6
191.17952	2.2
193.16005	2.5
197.13327	2.9
199.14964	4.8
200.65115	1.7
201.16422	8.6
203.18031	3.1
207.17676	2.3
209.15358	19.4
213.16481	3.8
215.18054	2.4
217.16223	2.6
219.17551	3.8
229.19662	1.8
272.30695	1.7
284.12790	1.9
313.94144	1.8
407.33307	3.2
411.12323	2.1
425.34329	2.0
435.32971	4.7
439.15622	2.3
453.33994	7.3
471.22339	100.0
471.34851	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	471.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
57.03425	2.9
67.05505	5.4
69.03445	11.3
69.07067	4.4
69.27090	15.2
71.04974	2.2
71.78745	1.9
79.05499	9.9
79.12479	2.0
81.03415	3.7
81.07067	10.4
83.04981	3.2
85.02899	6.0
91.05500	9.9
93.07033	7.9
95.08616	7.6
96.48412	1.8
97.02924	1.8
98.20665	2.9
101.02372	3.9
105.07043	13.8
107.04964	9.7
107.08602	20.6
109.02841	2.4
109.06509	3.0
109.10175	9.8
115.05454	3.9
117.07023	3.5
119.03421	5.4
119.08587	7.8
121.06503	3.1
121.10179	15.5
122.07307	5.4
127.03920	6.5
129.07097	2.0
131.08597	5.4
133.06526	2.4
133.10147	100.0
135.08049	6.5
137.06006	15.0
137.09634	55.4
143.08516	2.7
145.10118	5.7
147.04399	5.8
147.11678	5.1
149.09651	3.2
149.13289	10.7
151.03909	1.9
161.05980	6.3
163.14838	2.1
173.13205	10.0
175.07561	6.2
187.07579	4.7
191.14316	46.9
199.07664	2.4
201.16341	2.8
209.15433	3.2
219.41238	2.4
249.09363	1.8
277.08652	6.6
297.11206	3.3
309.11176	3.2
310.12164	2.3
326.99020	2.1
439.15402	7.1
471.17014	13.5
471.23605	2.9
471.34735	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69396	1.0
53.03943	1.6
55.05510	5.6
57.03429	3.2
67.05508	9.2
69.03434	8.2
69.07073	8.5
69.69577	2.6
69.69982	4.4
71.04992	4.9
73.28258	1.0
79.05505	8.5
81.03429	5.8
81.07060	18.1
81.66772	1.1
83.04989	9.4
83.08620	3.4
85.02911	9.0
85.06553	2.0
91.05490	9.6
93.07051	18.9
95.04976	3.8
95.08611	30.4
95.09177	2.0
97.02902	4.9
97.06512	5.6
98.21512	1.7
99.04458	1.2
99.08099	4.1
101.02376	9.4
105.07039	16.9
107.04963	2.0
107.08601	34.2
108.20537	1.0
109.02892	4.3
109.06530	6.9
109.10165	18.7
111.08102	4.8
117.07028	2.4
119.03435	7.2
119.04961	1.6
119.08588	16.5
121.06499	2.8
121.10146	32.1
122.07233	1.3
123.08075	4.0
123.11739	3.4
123.94283	1.2
125.09632	8.6
127.03938	3.3
129.07063	1.4
131.08588	7.6
133.10133	18.3
135.08057	9.0
135.11679	7.8
137.05975	2.5
137.09636	8.8
139.11189	3.9
143.08589	3.0
145.04950	1.6
145.10133	10.0
147.04416	3.9
147.11702	13.8
149.09631	9.4
149.13271	15.8
151.11186	53.5
153.09094	1.4
157.10117	3.0
158.10909	2.2
159.11720	8.3
160.48918	1.0
161.09602	2.1
161.13298	5.1
161.75630	1.1
163.03918	1.4
163.11253	2.0
163.14841	13.1
165.12796	4.5
171.11755	3.0
173.04474	1.2
173.13269	16.3
175.14816	7.5
177.09096	1.2
177.12692	1.5
177.16394	3.0
179.71556	1.2
181.10091	1.2
183.11618	1.1
185.13304	2.2
187.07619	1.3
187.14905	5.8
189.16397	6.2
190.16336	1.1
191.14314	52.6
191.17929	1.7
199.14813	2.1
201.16391	4.6
203.14461	1.2
203.17969	3.6
205.15956	2.1
207.17320	1.4
209.15376	46.2
213.16409	2.3
215.18040	5.5
217.15973	1.6
219.17432	2.4
221.15460	1.9
233.15404	1.7
233.18985	2.0
309.16660	2.2
319.75952	1.1
407.33179	2.2
423.32288	1.8
425.34717	1.4
435.32620	2.0
441.33786	1.8
453.33783	4.4
471.16788	5.8
471.22092	100.0
471.34949	6.5
472.22525	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	471.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05515	15.2
57.07064	7.2
66.57993	1.6
67.05510	77.7
69.03434	2.7
69.07063	15.6
71.04982	3.5
71.51780	2.0
73.02901	1.9
79.05497	52.0
81.07062	87.8
83.08625	6.8
85.06543	2.6
91.05495	28.5
93.07048	56.7
95.04970	4.2
95.08613	53.4
97.06516	4.6
97.10162	3.0
105.07041	26.0
107.08601	38.1
109.06535	2.0
109.10170	27.9
110.40724	1.7
111.08034	3.4
113.09592	2.3
115.19997	2.1
117.07036	13.9
119.08593	20.8
121.10161	28.9
123.11726	21.2
130.07791	1.9
131.08562	19.6
133.10141	15.3
135.11716	23.5
137.09515	2.5
137.13246	6.3
143.08565	2.8
145.10126	18.4
147.11684	12.3
149.09485	1.9
149.13260	15.4
153.12704	2.0
159.11690	14.8
161.13290	8.9
163.14801	10.8
173.13245	17.6
175.14827	2.6
179.14307	2.4
187.14865	10.1
189.10838	1.8
201.16400	4.3
205.15836	3.2
207.80730	1.8
233.22578	5.7
243.21095	22.0
256.52252	2.1
261.22156	100.0
279.23300	3.1
453.24759	5.0
456.15707	6.6
471.17908	23.1
471.25818	24.0
471.34491	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	471.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
53.25994	0.9
55.01870	2.7
55.05511	3.6
57.07067	2.1
65.03942	1.5
67.05513	13.5
69.03426	3.2
69.07075	7.1
71.01367	1.7
71.04993	1.8
71.51246	1.6
77.03948	1.0
79.05499	30.0
79.32304	0.9
81.07064	100.0
83.04987	2.9
83.08622	2.0
85.06551	3.2
91.05485	16.6
93.07053	15.3
95.04968	3.1
95.08616	13.1
97.06546	2.6
97.10200	0.9
103.05501	1.1
105.07037	22.1
107.04976	1.0
107.08608	20.4
109.06525	43.0
109.10165	5.5
111.08089	2.7
115.05441	2.1
117.07026	8.7
119.05003	0.9
119.08596	21.4
121.06522	3.6
121.10156	10.2
123.08085	3.0
123.11724	2.3
125.09640	1.8
128.06238	2.6
129.07002	5.0
130.07831	1.9
131.08580	21.5
131.09537	1.5
133.06529	1.1
133.10139	19.1
135.08078	15.4
135.11688	4.5
137.09665	2.2
141.07022	3.5
142.07828	7.0
143.08553	15.8
144.09308	1.6
145.10135	28.5
147.08080	4.0
147.11722	10.3
149.09625	14.1
149.13287	1.7
151.07535	1.2
151.11156	1.2
153.06976	0.9
154.07829	1.1
155.08545	5.5
156.09357	3.8
157.10138	24.5
158.10970	2.1
159.08081	2.4
159.11700	28.3
161.09644	14.4
161.13284	5.1
163.11255	2.8
165.07077	1.4
165.09117	1.1
167.08620	1.8
168.09415	2.9
169.10135	6.2
170.10968	2.4
171.11713	13.6
173.09621	5.3
173.13268	15.1
175.11194	6.1
175.14862	4.3
177.09167	2.1
177.12787	1.0
179.08649	2.7
179.10741	2.6
181.10109	4.4
182.10974	1.9
183.11726	12.8
183.13289	1.4
184.12216	1.1
185.09616	2.6
185.13274	15.3
186.14055	1.0
187.11215	5.7
187.14842	8.2
189.09216	1.4
189.12741	5.1
189.16449	1.1
191.10677	2.9
193.10176	2.9
193.12280	4.7
194.10944	1.5
195.11726	6.3
197.13298	7.3
199.11192	5.1
199.14804	7.5
200.11937	1.0
200.15588	1.7
201.12749	15.6
201.16412	13.2
203.10698	1.8
203.14363	3.7
203.66951	0.9
205.12289	1.8
205.15919	1.2
206.10895	1.2
207.11745	3.3
209.13315	5.5
210.14130	1.5
211.11230	1.6
211.14841	3.1
213.12695	2.1
213.16408	3.0
215.10805	1.2
215.14381	5.6
215.17986	4.7
217.12282	2.3
217.15909	4.0
219.11847	1.6
219.13852	1.9
219.17424	1.2
220.12338	1.4
220.35258	0.8
221.13351	3.0
223.14931	3.7
225.12833	3.0
225.16423	5.3
227.14276	4.0
229.12296	1.7
229.15936	1.2
231.17500	1.5
232.18196	1.4
233.13351	1.6
233.15407	3.9
233.19049	1.2
235.14943	2.1
237.16411	2.5
239.14380	2.4
239.17950	2.7
241.15904	2.0
243.13771	4.9
243.17451	15.1
245.15372	7.8
249.16458	3.8
251.17998	1.3
253.15924	1.3
253.19530	1.0
255.13759	1.3
255.17534	0.9
257.15311	1.7
257.19000	3.0
259.17023	2.9
261.18555	6.7
263.17969	1.4
265.15845	2.4
265.19589	2.1
267.17499	3.8
279.21185	1.3
281.19083	2.5
283.20612	1.5
285.18518	8.1
291.17633	1.2
293.19098	2.1
301.18106	1.6
302.18793	1.4
303.19507	9.0
305.22467	1.2
307.17410	1.0
307.20486	4.0
309.18536	3.7
309.22177	15.1
321.22128	1.3
323.20160	1.7
323.23767	5.0
325.21716	2.7
327.19830	1.3
327.23285	1.2
333.22134	4.7
335.20181	1.2
341.24841	1.1
347.23978	1.2
349.21704	1.2
351.23230	18.1
353.21231	1.3
365.24841	1.7
367.22665	3.7
369.24277	13.7
375.23257	1.6
393.24167	7.6
411.25345	14.8
429.26443	1.9
453.34384	1.0
471.27502	44.1
472.27960	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.3
56.05049	1.8
59.29082	1.4
60.04501	1.8
69.03431	4.9
69.07056	7.3
70.06592	15.1
70.81746	4.2
72.08150	6.4
79.05470	1.6
81.03401	2.7
83.08631	8.9
84.04511	4.4
84.08145	8.5
85.02900	8.9
86.09711	75.0
91.05479	5.2
97.02898	3.1
100.11263	90.3
107.04982	2.2
109.02898	2.1
109.10265	1.6
110.07169	4.0
116.07072	1.9
119.04967	10.2
122.63129	1.6
127.03938	2.7
129.10272	5.1
131.04961	4.6
132.10234	2.0
132.95888	1.7
137.06018	1.6
139.08740	1.7
147.04420	52.5
163.07516	1.9
167.92119	1.4
199.18085	2.2
209.16507	16.1
227.17555	100.0
245.18677	23.0
263.18698	1.4
309.09619	4.9
417.11896	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	473.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28887	1.4
55.05505	2.0
63.39661	1.2
67.05495	6.2
69.07069	3.1
78.88068	1.4
79.05502	2.7
81.07059	7.0
84.87293	1.4
89.03907	9.1
91.05488	4.5
93.07063	4.0
95.08604	4.7
98.21558	3.3
105.07050	5.2
107.08608	4.2
109.10165	3.0
117.03392	25.7
117.07004	1.7
117.63219	1.3
119.08586	4.2
121.06526	1.5
121.10161	5.5
133.10176	3.2
134.03639	1.8
135.04445	3.3
135.11749	3.0
137.05983	3.4
145.02859	50.1
145.10153	2.9
149.05992	7.3
149.09596	1.5
159.11749	2.4
171.11746	2.3
177.05492	100.0
182.73579	1.3
186.05589	1.9
205.12270	5.4
292.23773	1.6
473.19720	2.6
473.25504	3.8
473.34528	40.0
474.20410	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2902
Annotation	Methyl lucidenate A
Peak:m/z	Relative Intensity
55.05518	1.4
67.05488	3.2
69.95696	4.2
79.05481	1.0
81.07084	4.4
89.03928	11.9
91.05476	2.9
93.07043	1.6
95.08607	2.8
95.23779	1.0
98.21523	1.2
102.04159	0.8
105.07007	2.2
107.08603	1.8
109.10140	2.4
117.03391	27.4
119.08590	1.8
121.10150	2.0
133.10063	1.9
134.03641	2.3
135.04378	1.3
135.11671	1.8
137.05966	1.3
145.02859	58.4
145.10085	1.2
146.03313	0.9
149.05974	9.7
158.42384	0.9
177.05486	100.0
178.05826	1.0
186.05531	2.5
274.66605	1.0
350.33975	1.0
473.34714	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	473.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.8
54.89910	1.9
55.01865	5.2
55.05270	2.3
55.05515	28.3
57.03194	2.4
57.03443	27.8
57.07074	11.9
61.02929	70.2
67.05184	2.4
67.05510	32.9
69.03435	31.3
69.07072	35.3
70.72401	1.6
71.01362	5.6
71.04997	5.9
71.08633	5.7
71.47994	3.0
73.02922	35.5
75.04495	2.1
79.05498	19.5
81.03423	23.9
81.07059	46.2
83.05006	3.0
83.08624	45.9
85.02909	75.6
85.10181	2.7
87.04471	3.9
91.03961	42.7
91.05486	6.3
93.07053	23.9
95.04964	2.0
95.08604	29.2
97.02899	55.9
97.06548	8.0
97.10168	15.5
99.04462	10.6
99.08127	4.3
101.02400	14.2
102.99966	2.0
103.03933	9.8
105.07033	6.2
107.08591	14.3
109.02873	11.2
109.10161	13.2
110.69566	2.0
111.08097	5.3
111.11742	4.2
113.09679	1.7
115.03960	2.6
117.05477	2.9
119.08574	2.7
121.10149	34.5
123.11706	9.4
125.09651	6.1
127.03909	23.9
129.05501	5.6
133.10124	2.7
134.11552	1.7
135.11694	26.0
137.13275	8.0
139.11142	3.9
145.04956	10.6
149.13254	7.4
153.12788	2.1
159.06570	3.6
163.14809	3.0
183.06564	4.6
191.17940	1.8
193.59734	2.2
201.07661	5.4
219.21082	21.8
237.22128	26.2
241.32765	1.8
291.09982	2.0
311.25809	100.0
312.26205	3.2
321.24396	1.8
323.12744	2.5
339.25278	5.9
345.24249	2.1
353.26877	2.1
381.26151	2.2
419.27664	2.0
455.29745	6.9
473.31299	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	473.3632
Annotation	Corosolic acid
Peak:m/z	Relative Intensity
53.03938	4.2
55.05498	15.0
57.03433	9.5
57.07085	6.9
58.06603	18.3
59.06910	3.5
59.07383	5.0
59.28651	3.2
60.08159	6.4
66.66814	3.2
67.05510	20.0
69.03429	27.0
69.07071	23.1
70.57143	11.5
71.04999	6.9
77.70093	4.0
79.05497	16.9
81.03434	3.8
81.07059	36.0
83.08624	6.9
85.06571	3.7
87.04462	4.0
91.05501	20.5
93.07056	35.3
94.32845	3.9
95.04971	3.9
95.08612	37.8
97.06543	29.2
97.10174	3.5
105.07032	41.6
107.08606	50.4
109.06516	6.1
109.10165	32.5
111.08076	7.5
117.07078	4.5
119.08594	42.6
121.06464	4.2
121.10162	37.6
123.08083	6.7
123.11704	10.9
125.09647	46.5
131.08559	11.5
133.10130	21.9
135.08035	3.6
135.11722	35.5
136.93132	3.3
137.05981	38.3
137.13228	3.7
139.11172	5.4
143.08611	8.0
145.10159	21.8
147.11696	21.3
149.13306	7.3
154.94258	3.6
157.10135	12.1
159.11694	35.8
161.06007	11.9
161.09601	17.7
161.13216	7.9
163.10036	3.3
163.11183	20.3
163.14873	9.5
171.11662	8.2
173.13266	17.9
181.12236	9.3
183.11711	3.8
185.13290	9.9
187.14870	11.8
189.16393	5.0
191.14301	7.1
191.17908	4.8
199.07529	9.1
199.14772	9.1
201.16377	33.7
203.08549	10.0
203.17953	22.6
209.15428	3.4
213.16379	9.7
215.17880	4.8
221.02708	3.5
227.17915	10.5
231.07901	5.4
236.14969	44.7
237.15094	24.7
247.16959	32.9
248.08354	5.9
255.21054	3.8
269.22693	24.9
287.23779	6.9
291.10107	15.8
323.12646	14.0
331.98355	3.6
343.28259	3.8
419.33038	9.9
437.17542	5.2
437.34213	100.0
455.18329	12.6
455.35623	31.1
473.19730	5.7
473.36743	53.3
477.92584	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	474.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
57.03437	1.3
58.78552	0.5
59.04983	0.8
69.03429	0.7
70.06599	4.8
70.14004	1.8
71.05006	4.7
72.08144	2.2
79.05490	3.5
80.05045	1.1
80.16752	0.6
81.03411	0.7
84.04524	0.9
84.08129	1.9
85.02911	6.8
86.09715	4.2
89.91186	0.5
91.05483	2.8
93.07059	3.5
97.02889	1.3
100.34661	0.5
102.07153	0.5
103.05483	3.1
106.06579	3.9
109.02913	0.6
110.07192	1.4
111.56245	0.5
118.06519	1.4
119.07332	1.4
120.08109	18.9
127.03918	0.9
129.05519	0.8
129.10242	1.4
130.06549	1.1
131.05025	0.5
136.07591	0.7
137.06010	1.0
148.07584	100.0
149.07930	1.0
159.11307	0.7
162.05518	7.6
166.08638	8.0
181.05006	0.8
190.04961	5.2
283.06064	0.6
295.21152	0.8
316.08069	2.7
328.13950	3.5
393.04022	0.5
433.02457	0.6
474.13763	1.1
475.32471	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	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01870	10.3
55.05523	2.1
56.05050	1.6
57.03461	2.0
57.07070	5.7
59.05002	2.5
67.05498	6.1
69.03435	9.4
69.07075	12.5
70.02949	6.3
70.06600	12.1
71.04965	1.8
72.04519	24.4
72.08163	11.5
73.02927	11.6
73.06556	2.4
74.02459	1.7
81.03424	20.8
81.07069	2.6
83.04965	8.4
84.04502	1.8
84.08138	6.9
85.02903	10.5
85.06543	9.1
86.09710	27.7
87.08111	2.7
88.04005	1.4
90.05561	34.9
95.04954	8.9
95.08630	1.7
96.08128	2.0
97.02909	11.2
98.02431	22.9
98.25187	1.6
99.04444	5.0
100.03975	6.0
102.05538	1.8
103.03976	1.7
103.07602	4.9
107.04964	7.1
109.02883	29.7
109.10192	1.7
110.07156	2.1
111.04445	1.6
112.07583	1.9
113.06013	5.1
116.03452	20.7
116.07102	1.7
120.08126	1.8
124.07601	24.5
127.03912	12.2
129.10257	10.1
131.07022	3.7
132.05673	1.7
132.06572	11.2
133.06212	1.5
137.02338	4.0
138.02669	2.6
138.05455	2.6
142.08640	18.7
143.11803	1.6
145.05005	8.5
156.10201	2.1
157.09753	3.9
160.09694	7.8
166.08647	4.8
171.11353	2.1
172.09686	3.6
174.11273	7.9
176.01019	1.8
181.04993	1.6
184.09689	35.7
187.05946	2.5
191.03566	1.7
198.07597	5.0
199.05980	4.6
201.12376	5.8
202.10757	100.0
203.11359	3.6
211.09688	8.5
216.08685	4.8
217.07137	3.2
220.11813	23.1
229.11847	3.1
230.10233	13.9
234.09766	10.3
244.11823	3.3
262.12833	19.3
272.12344	2.6
307.05869	1.9
310.12836	10.3
311.05118	3.7
312.05887	5.4
313.06943	2.6
314.07401	2.4
324.05765	8.5
325.06754	5.2
328.13907	47.9
334.18472	2.2
337.07147	5.5
339.08243	1.5
341.06543	5.3
342.06879	25.8
343.15894	1.7
346.15012	10.2
353.06363	1.8
354.06824	11.1
355.08145	3.9
364.16135	12.8
367.07843	2.0
368.08463	6.0
382.09970	2.9
384.08127	1.9
392.07971	1.7
396.07956	18.3
408.07855	2.3
420.07913	5.8
426.09134	7.5
428.45886	1.7
438.08908	6.0
448.05170	1.6
456.10071	9.7
474.11282	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	474.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.5
57.03444	4.3
57.07077	7.1
58.06603	33.9
59.04998	0.5
59.07387	9.8
60.08168	10.9
67.05508	3.3
69.07038	1.3
69.28166	2.1
69.28581	1.8
71.08302	0.5
71.08635	5.4
71.85052	0.4
73.02906	0.7
75.04486	2.3
81.07064	2.9
83.08590	1.2
84.08120	0.4
85.02907	2.1
85.10192	2.6
87.04461	4.3
91.05451	0.5
93.07021	0.6
95.08616	3.2
100.11206	0.6
102.05490	0.5
103.03931	0.8
104.33207	0.5
105.05473	0.8
107.08559	0.7
109.10149	0.9
113.06004	1.0
116.28782	0.4
121.10126	0.6
131.07034	1.5
133.10057	0.6
144.10207	8.6
162.11224	1.9
193.19200	0.5
200.12843	0.5
218.13905	0.6
236.14937	85.0
237.15259	0.7
303.64081	0.4
313.27362	1.2
412.37695	0.6
443.11435	0.5
456.36880	24.6
474.37943	100.0
475.38599	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	475.113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96310	1.0
56.96571	17.0
62.21850	1.0
64.51310	0.9
67.52066	1.0
68.70461	1.1
69.03409	2.0
70.06587	1.8
70.85808	2.2
70.86140	1.4
70.98112	1.0
71.05015	1.1
71.95246	2.2
84.04507	2.0
84.08145	2.7
84.96036	8.0
85.02908	3.5
86.09712	2.3
97.02869	1.9
97.96802	1.8
98.97588	100.0
102.97066	1.3
110.97575	32.0
112.99140	6.5
116.97827	2.1
116.98635	27.5
120.08100	3.5
121.02831	1.3
121.08466	1.9
124.99135	2.8
126.05545	1.1
128.34282	0.9
128.98602	26.2
131.00166	4.9
134.99684	6.0
137.05925	3.0
138.05463	1.5
140.51465	0.9
140.98578	2.1
143.00175	6.0
146.99663	8.5
147.04411	2.8
149.01233	1.7
152.98625	2.7
154.04581	1.0
158.99713	6.5
161.01239	4.3
170.99660	7.9
177.00687	4.1
179.00223	1.5
189.00665	5.2
193.98907	2.7
194.99681	1.4
195.03268	1.6
197.01244	2.1
201.00639	8.1
205.01823	1.4
208.00410	3.6
211.99936	1.8
213.04364	2.7
219.01772	61.7
223.02769	9.0
226.01456	9.1
235.02797	23.3
237.02820	83.9
238.01315	1.5
241.03825	16.6
242.03844	1.0
244.02422	1.4
247.06099	1.3
253.03850	12.2
255.03920	4.3
259.05124	2.1
260.01944	2.6
260.04309	2.6
263.04474	6.0
265.03891	3.6
271.05011	4.1
278.03043	1.7
283.05219	1.1
289.06760	1.2
295.04874	3.0
301.06985	1.1
304.02466	1.5
309.06436	1.2
313.06119	1.7
319.04999	2.5
325.05994	2.2
327.07840	1.4
337.05930	9.4
343.08090	1.9
349.05936	1.4
353.05582	1.4
355.07025	3.9
367.07025	21.4
371.06342	2.0
379.07092	3.6
383.40314	1.2
385.08124	12.4
397.08160	8.0
415.09140	72.9
416.09583	1.7
433.10294	24.4
434.42688	1.4
456.11646	1.7
475.11304	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	475.1241
Annotation	Germanaism B
Peak:m/z	Relative Intensity
53.03949	1.6
57.03420	2.3
61.23074	1.1
69.03439	1.5
71.35473	1.6
79.01866	2.4
81.03403	3.1
85.02905	5.4
86.09692	1.9
91.05489	2.5
93.07047	1.2
95.04953	1.1
95.08596	1.8
103.03946	3.9
103.05440	1.4
103.65092	1.0
105.07022	1.8
105.47050	1.0
107.08607	1.6
109.02872	2.4
119.04919	4.9
121.02876	20.5
121.10162	1.0
127.03921	1.5
131.04918	1.6
137.05997	3.2
140.51149	0.9
145.02866	2.9
149.02322	1.3
153.01863	1.5
163.03932	3.3
165.01848	12.3
171.02965	1.1
177.01874	2.0
183.02882	3.5
185.16615	1.0
187.03951	2.5
191.03345	1.9
195.02954	1.3
211.07581	1.3
213.05496	4.0
215.03314	1.1
217.05032	1.3
227.07060	1.9
243.03027	2.8
243.06519	2.2
255.06453	6.3
256.07303	8.0
259.05951	1.1
261.04007	1.1
263.07080	1.2
267.06583	1.7
270.05237	1.4
271.05951	5.5
279.06592	1.2
281.07986	1.6
283.06024	84.5
284.06808	36.9
285.07495	2.7
295.06033	49.0
297.07593	18.3
307.06155	3.1
308.06851	4.3
309.07458	8.3
311.05566	4.7
313.07068	100.0
314.07449	2.4
321.07574	1.6
323.05569	2.3
323.09180	11.6
325.07065	7.5
327.08713	1.9
333.07584	2.0
335.05524	1.7
337.07074	25.4
343.08231	6.5
351.08597	5.1
355.08139	3.2
361.07080	9.0
367.08292	2.2
379.08136	15.8
388.20789	1.3
397.09058	6.5
415.10117	4.0
439.10269	25.8
457.11319	30.2
475.12354	59.1
475.32510	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.4
55.01841	1.0
55.02070	0.3
55.05499	0.3
57.03439	1.4
61.02924	2.2
65.03900	1.1
67.01861	0.4
67.05504	1.4
68.72732	0.2
68.99771	0.8
69.03388	0.7
70.06586	1.8
71.04974	0.3
71.51291	0.4
72.08154	1.6
73.02924	1.1
79.05447	0.5
79.99196	0.2
81.03430	1.3
83.01305	0.4
83.04930	0.4
84.04489	0.5
84.08096	1.0
85.02454	0.3
85.02907	4.6
86.09708	3.4
89.03889	0.4
91.05471	1.4
93.03413	1.7
95.01268	0.3
95.04972	1.5
95.54280	0.2
97.02892	0.5
102.05544	0.3
103.03936	2.3
105.03387	1.2
105.07000	0.4
107.04955	1.4
109.02830	0.9
110.07114	0.3
111.04408	0.9
115.05423	0.5
118.04147	0.3
119.04946	4.9
121.02868	23.7
123.04394	1.0
127.03893	0.3
129.10268	0.4
131.04865	0.8
133.02812	1.0
133.06462	0.6
135.04469	1.7
139.03857	0.6
141.01796	0.4
145.01782	0.4
145.02847	5.0
145.06497	0.3
146.05852	0.2
147.04431	1.5
148.01492	0.3
149.02342	1.2
151.03854	1.0
159.04395	0.8
161.02362	1.9
161.05930	0.9
162.03036	0.5
163.03903	4.1
165.01805	0.8
167.03365	0.7
168.04103	0.3
171.04364	0.5
173.02351	3.6
175.00221	0.6
175.03896	0.9
176.01045	5.2
177.01834	2.0
177.05450	0.6
179.03398	2.6
181.04916	2.0
181.06281	0.5
187.03912	1.9
189.01828	11.3
189.05453	0.4
190.02655	2.3
191.03397	11.6
193.05077	0.4
194.02122	1.7
195.02849	0.9
197.04398	0.5
197.06056	0.4
197.08017	0.3
199.03891	0.3
201.01842	2.4
201.05457	0.9
203.03421	2.2
204.04257	0.5
205.01129	0.3
205.04982	0.9
207.02896	6.3
208.03604	0.7
209.04410	1.9
211.03929	0.3
215.03395	1.4
217.04942	0.8
219.02893	12.6
220.03168	0.3
221.04413	0.7
225.03874	0.6
227.03406	0.4
227.06870	0.2
229.05008	1.2
231.03003	1.2
233.04358	1.5
234.06770	0.4
237.03807	0.4
239.03461	0.3
239.06940	0.5
241.04929	0.4
243.03021	0.4
245.04416	0.6
245.07649	0.6
247.02223	0.4
247.05984	0.7
251.07024	0.8
252.07805	0.6
253.04845	0.3
253.08447	0.6
255.02824	0.4
255.06538	0.6
257.04453	0.7
259.06076	0.3
261.03864	0.4
262.06116	0.3
263.07083	1.4
266.05692	0.9
267.06497	3.1
268.07285	2.4
269.07983	0.6
270.05151	0.4
270.08987	0.4
273.03873	0.4
279.06583	3.7
280.07309	3.6
281.08078	10.3
282.08435	0.5
283.06018	3.9
284.06787	2.8
285.04025	1.4
289.08472	0.3
291.06503	3.4
292.07263	0.4
293.04498	0.7
293.08069	1.2
294.05228	42.2
295.05994	11.8
295.09406	0.6
296.06708	2.9
297.07547	8.1
298.08337	1.6
304.07364	0.6
305.08148	0.8
307.06003	47.7
308.06775	14.7
308.09744	0.3
309.07550	16.0
310.08176	0.7
313.07053	4.8
317.07996	0.5
319.06042	12.0
319.09503	0.9
320.06766	2.4
321.07587	4.9
322.04895	0.5
322.08389	2.7
323.05765	0.5
323.09119	1.3
325.07062	34.5
326.07407	1.0
329.07739	0.3
332.06650	0.3
333.07553	2.5
334.08209	0.9
335.05411	0.6
335.09030	0.6
336.06320	3.0
336.10022	0.4
337.07050	100.0
338.07416	2.8
339.05075	0.5
339.08572	1.8
345.07593	1.0
347.09192	1.9
348.06250	0.7
349.07013	3.7
350.07910	1.3
351.05087	0.3
351.08633	7.1
353.06628	1.1
355.08127	60.6
356.08414	1.9
361.07065	3.4
362.08047	0.4
363.08740	1.4
365.06396	0.8
365.10236	2.0
367.08124	8.4
373.07126	1.3
374.07861	0.4
375.08533	2.8
377.06683	0.6
379.08130	25.7
380.08582	0.7
385.08966	0.7
391.08115	15.4
392.08627	0.7
393.09793	1.7
397.09299	0.6
401.10239	0.5
403.08112	5.7
404.08307	0.4
409.09180	4.7
421.09174	16.7
422.09409	0.9
429.09802	0.4
431.19058	0.5
439.10248	20.2
440.10959	0.4
457.11316	33.0
458.11407	1.1
475.11868	7.4
475.17529	0.8
476.12463	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1239
Annotation	Germanaism B
Peak:m/z	Relative Intensity
51.55455	0.5
53.82856	0.4
57.79422	0.4
67.26938	0.5
69.00734	0.4
69.79600	1.8
69.80014	1.0
72.48315	0.4
79.01819	1.2
81.03400	1.2
85.02857	0.9
98.20858	0.9
109.02847	0.8
119.04903	2.1
121.02866	11.2
122.29498	0.4
145.02840	1.2
149.02386	0.5
151.03867	0.7
163.03944	1.2
165.01804	1.2
167.03395	0.5
171.02869	0.7
171.49199	0.5
177.01837	3.4
187.03880	1.2
191.03395	0.7
197.05887	0.6
205.04889	0.6
213.05432	1.9
217.05052	0.8
218.79468	0.5
219.02780	0.5
227.07181	0.9
243.02863	0.7
243.06477	1.6
255.06534	2.3
256.07324	4.8
259.06052	0.6
267.06500	0.9
268.07254	0.7
271.05994	6.0
279.06543	0.7
281.07919	0.6
283.06009	39.9
284.06778	26.6
284.09998	0.7
285.07486	2.7
295.06018	23.8
296.06342	0.6
297.04575	0.8
297.07568	4.6
299.05496	1.6
307.05939	1.1
308.06708	2.3
309.07538	4.0
311.05591	3.8
313.07056	79.5
314.07394	1.1
321.07407	1.1
323.05487	1.2
323.09131	3.4
324.06210	2.2
325.07108	3.4
327.08643	4.0
335.05508	0.9
337.07071	6.2
343.08163	0.6
349.07184	1.0
351.08633	3.7
355.08127	32.2
356.08240	0.6
367.08032	6.2
369.09641	0.9
379.08047	4.7
397.09210	8.4
415.10229	12.4
433.11066	0.8
439.10291	0.5
457.11295	10.0
475.12384	100.0
476.12717	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	475.1237
Annotation	Germanaism B
Peak:m/z	Relative Intensity
50.93372	0.6
53.03954	0.6
57.03443	0.8
60.93642	0.6
69.03432	1.9
69.13730	0.6
71.05323	1.2
81.03410	2.5
85.02901	8.0
91.05490	0.8
93.03424	0.6
97.02894	1.1
103.03947	1.0
104.86877	0.6
109.02877	3.6
109.87572	0.6
119.04943	3.1
121.02859	6.2
127.03918	5.3
144.17534	0.6
145.02850	3.2
145.04984	0.8
149.02359	6.7
163.03888	0.9
165.01868	4.6
167.03383	4.6
177.01845	3.1
178.99739	0.5
183.02881	0.9
187.06015	1.1
189.01898	0.9
195.02876	2.1
197.05925	0.8
205.07092	3.5
211.07544	1.3
229.05013	0.9
239.07118	3.0
267.06546	30.7
268.07208	0.6
270.05273	3.0
271.06018	3.6
281.08151	1.8
283.06012	29.0
284.06799	10.4
285.07513	1.5
295.06024	100.0
296.06293	1.5
305.08179	0.8
307.06027	1.5
309.07605	7.0
313.07062	87.8
314.07404	1.5
321.13965	0.7
323.09039	1.5
333.07544	0.9
337.07043	10.4
349.06979	2.7
355.08130	26.7
356.08585	0.7
361.06979	0.8
367.08176	2.1
379.08170	5.1
397.09134	4.1
415.10309	6.3
457.11365	2.4
475.12338	12.1
475.32413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1239
Annotation	Germanaism B
Peak:m/z	Relative Intensity
55.01867	2.2
61.02920	1.1
67.77831	0.9
69.03419	1.8
69.60536	6.9
70.06596	10.8
71.04985	1.3
76.89431	0.8
79.01847	2.5
81.03415	1.8
84.86917	0.9
85.02909	3.5
86.09692	2.6
91.05475	2.3
97.02901	2.4
99.04453	4.8
107.04982	1.1
107.08579	0.9
109.02862	2.3
112.66602	0.9
119.04932	2.4
120.08138	2.1
121.02876	10.9
127.03917	2.9
127.08707	1.6
133.10135	1.0
137.02382	0.9
137.05968	3.7
145.02823	2.3
145.76054	0.9
151.03831	1.2
151.07622	1.1
157.06488	1.0
163.03922	1.9
163.07556	1.1
165.01854	4.8
166.08636	1.1
167.07086	1.4
179.08574	1.2
187.03915	1.3
191.41708	1.1
207.03046	1.0
213.05457	3.9
217.04973	1.4
227.16389	2.3
229.15549	3.2
243.02931	2.2
255.06543	2.8
256.07343	3.3
259.05969	1.2
260.06003	1.1
261.03931	1.4
267.06561	1.1
271.06079	5.6
283.06009	100.0
284.06741	13.0
285.07373	1.4
286.17621	1.6
295.05981	12.1
297.07574	12.2
299.05569	2.0
305.08170	1.0
307.06287	1.5
308.07132	1.9
309.07684	3.4
311.05508	6.0
311.09021	1.9
313.07071	16.4
321.07666	1.2
323.05579	2.3
323.09247	8.0
325.07019	6.0
327.08701	4.3
337.07144	7.1
339.08765	1.3
349.07068	12.1
351.08633	3.7
355.08154	3.2
361.07425	2.3
367.08142	16.7
369.09811	1.2
379.08127	11.9
385.09241	1.1
387.64066	1.1
397.09229	22.0
409.09213	11.8
415.10342	7.3
439.10208	2.4
457.11224	16.5
458.11453	1.1
475.12378	56.4
475.22186	4.7
475.32394	4.6
476.12540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	12.3
57.03422	7.9
66.96472	2.8
69.03429	3.2
70.18745	8.8
72.08157	5.5
79.05501	3.1
81.03404	4.8
85.02908	31.6
86.09681	2.8
93.03392	3.3
95.01367	2.7
95.04953	2.8
97.02898	13.4
103.03957	5.7
105.03368	3.6
107.04951	4.6
109.02872	10.2
110.08466	2.4
115.05460	3.9
119.04936	5.4
121.02891	24.0
121.06519	2.8
123.04398	6.7
129.07022	4.4
133.06433	4.2
135.04410	9.0
138.05479	6.0
147.04385	7.4
149.06081	4.6
151.03902	8.5
157.06444	7.0
159.04439	9.7
161.05960	6.5
163.03874	10.0
165.05513	2.9
167.03346	6.4
169.04845	2.8
169.06421	3.2
171.04391	6.3
173.05951	7.8
175.03903	23.5
177.05466	16.4
181.04984	25.8
181.06433	4.4
185.05951	9.3
187.03912	21.4
189.01718	2.8
189.05479	9.9
191.03416	3.9
191.07167	3.8
193.04988	44.5
197.06015	7.8
199.03923	5.6
199.07536	3.7
201.01833	8.0
201.05447	21.9
203.03415	6.2
203.07008	6.4
205.04955	54.8
207.06386	3.3
209.06021	2.9
211.05910	5.1
213.05496	17.0
215.03593	3.3
215.07045	4.4
217.04974	36.6
217.08347	2.7
219.02934	15.8
219.06453	25.3
221.04488	17.5
223.05983	37.0
225.05486	10.1
227.06937	8.1
229.04997	21.7
231.06523	20.2
235.05995	25.0
237.05527	3.8
239.06979	4.0
241.04886	15.6
243.06537	21.2
245.08073	6.8
247.03462	4.9
247.06023	100.0
251.07022	4.4
253.05034	16.0
255.06456	11.9
257.04596	4.3
257.08014	6.8
259.06036	99.1
261.07617	4.2
267.06494	8.9
269.04297	2.8
269.08121	3.2
271.06036	38.3
273.07568	14.7
277.07162	34.1
279.06503	8.2
281.08090	6.0
283.06039	22.9
284.06656	3.3
285.07605	17.7
287.05603	4.3
289.07104	77.7
294.05258	4.8
295.05746	6.2
297.07626	15.2
299.05444	3.1
299.09296	2.8
301.07086	64.1
307.08356	34.3
309.07504	8.2
313.06937	58.1
319.08359	22.5
325.06473	19.3
325.09125	70.6
327.08762	3.9
331.08096	6.6
337.06750	11.3
337.09335	13.7
343.08136	54.2
355.07556	35.9
357.09354	3.1
361.09183	33.5
367.08157	11.8
373.09183	34.5
379.10400	24.8
385.09247	20.2
391.10321	55.2
403.10327	26.8
409.11127	7.7
421.11224	28.9
424.98895	2.9
429.22510	2.6
439.12473	25.8
457.13037	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	475.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
55.01877	10.9
55.05511	4.4
56.05031	3.2
57.03424	7.8
61.47559	2.3
67.01882	2.9
69.03452	5.1
69.96039	9.0
70.06594	11.8
72.08169	19.4
73.08508	3.0
81.03423	7.4
84.04527	3.9
84.08142	9.6
84.87208	1.9
85.02921	26.8
86.09720	14.3
91.05505	4.8
93.03418	4.6
95.01344	3.2
95.04964	3.0
97.02914	13.6
98.20760	2.8
103.03922	4.1
105.03423	2.6
105.07050	3.0
107.04974	3.1
109.02896	9.4
115.05489	2.9
117.06966	2.3
119.04936	4.8
121.02881	26.0
123.04443	5.8
126.05529	3.9
127.03906	3.0
128.07054	4.0
129.07028	3.4
129.10249	3.8
131.04918	4.8
133.06487	2.9
135.04411	5.6
137.05972	3.7
138.05525	7.3
139.03920	2.6
141.06953	2.2
144.06683	2.1
145.02876	2.2
145.06470	3.6
147.04428	8.8
149.02356	5.3
149.05939	5.7
151.03926	7.8
152.06303	2.9
157.06511	6.3
159.04434	10.6
161.05994	6.5
162.87315	2.4
163.03915	11.7
165.01878	2.9
165.05542	3.6
167.03473	3.5
167.08467	2.4
169.06525	3.0
171.04388	11.5
171.08020	3.2
173.02373	3.5
173.05959	7.9
175.03903	25.2
177.01822	4.4
177.05502	18.4
179.06996	2.2
181.05003	29.2
181.06493	5.5
185.06038	9.8
187.03880	20.6
187.07480	2.8
189.05458	12.6
191.03398	5.3
191.07047	2.6
193.04991	43.8
197.06017	6.1
199.03932	6.9
199.07629	3.6
201.05452	19.7
201.12425	4.7
203.03418	8.5
203.05270	2.5
203.07011	10.9
205.05014	49.8
207.02913	3.2
207.06560	5.0
209.06104	2.5
211.05948	4.8
213.05504	17.1
215.03387	3.2
215.07048	6.0
217.04961	34.4
217.08511	2.7
219.02974	16.0
219.06482	23.8
220.03999	2.2
221.04388	15.7
223.06012	36.1
225.05516	8.5
227.07086	8.1
229.04974	24.7
229.11906	4.8
230.05750	2.7
231.06508	24.4
233.04466	7.0
235.05998	22.0
237.05562	3.8
239.07098	6.2
241.04924	18.0
243.06520	20.7
245.04527	5.3
245.08099	13.0
247.06050	98.9
251.06944	3.3
253.04993	12.6
255.06465	12.3
257.04486	3.6
257.08090	3.4
259.06061	100.0
267.06656	8.7
269.04550	2.6
269.08047	4.7
271.06021	43.5
273.07617	12.2
277.07141	37.3
279.06561	7.3
281.08145	3.6
283.05942	22.4
284.06784	3.9
285.07697	17.6
287.05490	6.3
287.09052	2.9
289.07108	90.1
291.06482	2.7
294.05328	9.3
295.05731	5.2
297.07712	14.4
299.05859	3.9
299.09055	4.6
301.07098	64.8
307.08530	35.7
309.07550	8.7
311.08945	4.0
313.06927	67.9
314.07288	3.1
315.08240	2.6
319.08459	23.9
321.07553	2.6
325.06628	16.9
325.09158	75.0
327.08627	3.7
331.08118	6.8
335.07602	3.3
336.64899	2.6
337.06992	19.1
337.09503	11.9
343.08121	45.1
349.06815	3.1
355.07709	43.0
361.09253	30.7
367.08218	15.9
373.09302	35.7
379.10519	21.2
385.09222	17.9
391.10370	49.9
403.10318	28.7
409.11115	8.1
421.11380	30.0
439.12534	24.5
457.12372	9.1
475.17514	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	475.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	1.7
52.62302	1.2
53.03949	8.8
54.74416	1.2
55.01868	3.9
55.05279	1.6
55.05516	22.6
57.03429	4.5
57.07080	1.5
65.03938	5.8
67.05507	81.7
69.03418	1.9
69.06727	1.8
69.07073	26.1
71.01340	1.2
71.04977	5.4
73.06542	3.1
77.03896	1.9
79.05497	93.2
80.05817	1.5
81.03427	9.7
81.07058	100.0
81.66915	1.2
83.04987	14.3
83.08619	18.3
85.06542	5.9
91.05485	67.3
93.07048	87.9
95.04973	18.5
95.08614	29.7
97.06540	8.7
97.10141	3.4
99.08085	2.6
103.05487	1.5
105.04510	3.5
105.07034	39.4
107.04934	5.8
107.08596	33.9
109.06507	7.4
109.10172	8.3
110.21594	1.2
111.08087	5.3
111.11787	1.2
113.09682	1.6
115.05453	2.0
117.07000	13.8
119.08593	23.6
121.06516	2.9
121.10150	16.2
123.08078	6.1
123.11695	3.5
127.07561	2.6
128.06212	2.7
129.07010	12.3
131.08574	9.7
133.06485	2.0
133.10141	13.6
135.11691	8.1
143.08563	6.4
145.06548	1.4
145.10146	8.2
147.08020	2.7
147.11696	35.0
149.13274	26.3
150.57777	1.4
155.08711	1.4
156.09387	1.6
159.11694	12.5
161.09613	4.5
161.13283	13.0
163.11185	1.7
165.12772	1.2
170.87085	1.2
171.11691	24.7
177.12746	5.8
189.12738	10.3
195.13785	6.3
207.13802	27.9
225.14928	2.4
269.17551	1.6
285.26785	1.2
304.26559	1.7
355.26428	1.2
475.30563	65.6
476.30740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3059
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
55.05510	12.9
57.03440	23.6
57.07071	3.7
67.05505	14.1
69.07078	11.4
71.02924	2.3
79.05508	5.6
81.07063	16.2
83.08627	9.4
89.03917	12.7
91.05489	2.6
93.07032	8.7
95.08611	10.8
97.10161	4.3
98.98474	38.7
105.07011	2.5
107.08579	3.5
109.10181	5.7
117.03387	24.0
119.08544	1.8
121.10150	6.2
123.11710	1.8
134.03627	2.0
134.98128	1.7
135.04497	2.3
135.11705	5.0
136.99998	30.0
145.02852	56.5
149.05978	8.3
155.01045	33.5
159.11685	1.4
177.05475	100.0
186.05548	2.8
193.02663	6.2
194.11531	65.0
206.89572	1.3
211.03635	6.7
231.28946	1.1
314.24527	1.1
314.64740	1.3
339.28943	27.1
475.27383	25.2
475.33200	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	475.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01866	3.0
55.05511	9.1
57.03192	1.7
57.03444	19.1
57.07081	41.0
59.04998	1.3
61.02932	54.6
64.20642	1.2
67.05511	17.4
69.03438	24.9
69.06788	1.3
69.07077	14.5
69.83065	6.8
71.01355	3.2
71.04980	4.4
71.08637	33.1
72.21684	1.2
73.02924	26.3
75.04484	2.6
79.05489	3.6
81.03432	19.0
81.07064	23.7
82.97387	1.3
83.04980	3.5
83.08627	17.1
84.65536	1.2
85.02911	54.8
85.10187	18.5
87.04475	2.5
89.06032	1.7
91.03963	33.2
91.05476	3.5
93.07050	5.9
93.28649	1.2
95.08616	38.1
97.02898	44.1
97.06509	2.2
97.10172	10.2
99.04456	7.8
99.11735	2.3
101.02391	9.9
103.03939	9.4
105.07015	3.8
107.08591	3.9
109.02906	8.7
109.10165	17.6
111.04444	1.4
111.11695	3.0
115.03941	4.6
117.05506	2.6
119.08588	3.6
121.10150	3.1
123.07997	1.9
123.11703	7.7
125.09586	1.5
127.03921	19.9
127.84129	1.2
129.05507	3.9
133.10075	1.5
135.11752	1.3
137.13249	4.1
139.11201	4.1
143.08565	1.5
145.04993	7.2
145.10219	2.3
147.04424	5.9
149.13196	1.2
157.10135	1.8
159.06555	3.1
159.11655	2.1
171.11568	1.4
173.13309	1.5
175.06898	1.2
178.13402	1.7
181.12239	2.0
183.06551	4.2
183.11610	1.3
195.11668	1.6
201.07591	4.8
239.23714	32.1
257.24838	3.3
297.27945	1.7
313.27383	100.0
314.27512	2.3
341.26804	3.5
355.28748	2.1
372.13037	1.3
383.25793	2.3
457.31412	4.2
475.32541	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	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	1.9
53.03948	11.0
55.01868	4.7
55.05509	15.2
57.03441	31.0
57.07080	71.6
61.02930	39.5
67.05507	23.3
68.23771	2.5
69.00310	1.9
69.03433	45.1
69.07066	11.9
70.41750	2.1
70.96223	4.6
70.96532	2.1
71.01331	2.9
71.04985	12.7
71.08633	53.3
72.08212	1.9
72.82777	1.9
73.02922	23.9
79.05480	5.3
81.03421	52.8
81.07059	35.8
83.04970	3.7
83.08627	21.7
85.02908	60.9
85.06565	4.0
85.10179	22.5
87.04482	3.8
89.06089	3.0
91.03960	31.3
91.05483	3.6
93.07048	5.6
95.08610	45.4
97.02901	53.3
97.06553	3.0
97.10177	12.5
99.04459	15.9
99.11658	2.5
101.02401	5.9
103.03942	24.4
105.07008	5.0
107.08611	4.8
109.02888	31.3
109.06541	2.3
109.10147	23.6
111.11732	4.5
115.03926	7.4
117.05463	2.9
119.08601	4.4
121.06521	4.6
121.10178	3.7
123.11720	8.7
127.03924	43.2
129.05502	4.6
131.08521	3.8
133.10132	2.4
135.11659	2.9
136.06155	2.1
137.13272	4.2
139.11166	2.9
145.04990	11.2
145.10223	2.8
151.07607	2.3
159.06552	4.4
183.06572	13.5
193.32961	2.5
201.07561	7.2
221.22607	3.3
239.23700	40.6
257.24805	5.7
285.91812	2.0
313.27368	100.0
341.27145	2.8
383.28015	29.8
457.31525	6.9
475.32541	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	475.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.05515	8.7
57.03442	23.3
57.07082	43.6
61.02935	53.3
63.05415	2.3
64.09057	1.8
64.34143	1.8
65.32990	1.7
67.05509	16.3
69.03439	25.1
69.07076	14.5
69.21108	13.1
69.21532	7.3
71.01364	3.9
71.04980	4.0
71.08640	30.5
73.02917	28.3
79.05492	3.2
81.03421	19.1
81.07063	24.9
83.08628	13.4
85.02913	46.2
85.10185	17.8
91.03417	2.6
91.03968	34.6
91.05516	2.2
93.07028	3.5
95.08620	35.1
97.02897	42.0
97.10178	8.1
99.04468	7.5
101.02388	9.6
103.03956	5.0
105.07033	2.3
107.08598	3.9
109.02914	9.6
109.10161	18.2
111.11693	3.6
115.03932	3.8
117.05502	3.1
119.08641	4.8
121.10156	2.9
123.11742	6.6
125.09579	2.2
125.13312	2.6
125.28042	2.1
127.03902	15.9
128.73259	1.7
129.05463	4.7
133.10197	2.4
137.13283	5.1
145.05000	7.5
147.11720	2.7
159.06551	2.5
183.06505	5.6
201.07631	4.6
239.23718	30.9
257.24832	5.6
268.15918	2.0
284.06509	2.2
289.79379	2.0
313.27393	100.0
341.26797	4.1
355.28366	2.9
383.27612	2.5
439.35599	2.9
457.31686	3.6
475.32559	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	475.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.5
55.01878	2.4
55.05520	18.1
57.03434	5.9
57.07071	2.6
65.03950	2.9
67.05508	49.1
69.03436	1.7
69.06733	1.7
69.07079	17.9
69.28761	11.2
71.04986	2.6
79.05495	24.1
81.07062	34.3
81.07529	2.1
83.04964	2.2
83.08616	9.2
85.06528	2.3
88.62222	1.5
91.05479	23.4
93.07050	36.2
95.04987	1.7
95.08611	100.0
97.06549	5.5
97.10184	2.9
98.98469	4.0
105.07042	23.1
107.08591	17.4
109.10164	10.0
111.08117	2.4
115.05505	1.7
117.07021	6.2
119.08601	22.5
121.10165	16.1
123.08068	3.4
123.11736	1.4
129.07037	3.4
131.08572	12.3
133.10146	14.5
135.11703	10.1
136.99992	3.4
139.11206	1.9
141.07019	2.1
141.09113	3.9
143.08601	6.4
145.10141	18.2
147.11719	12.1
149.09639	1.9
149.13293	3.1
155.01053	4.5
155.08609	4.3
157.10089	7.5
159.10429	8.3
159.11580	9.0
161.13312	6.4
163.11253	2.5
169.10149	4.2
171.11748	5.5
173.13272	8.7
183.11671	2.7
185.13341	6.0
187.14873	4.8
189.16418	2.0
197.13309	2.6
199.14856	2.4
201.16527	1.9
211.14944	1.9
213.16449	1.8
227.18011	1.9
243.21191	2.2
261.22256	4.8
275.20084	2.6
285.22260	1.7
317.24826	1.7
339.29117	2.0
349.23950	1.7
365.28384	7.0
377.27237	1.6
383.29483	12.0
400.54028	1.6
401.30597	2.7
432.76297	1.6
457.33109	10.5
469.73862	1.8
475.34152	86.7
476.34537	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
54.25528	1.4
55.01863	3.2
55.05518	24.9
57.03456	8.0
57.07069	4.0
63.05341	1.3
65.03945	3.4
67.05512	44.7
67.61869	1.6
69.07082	20.3
71.04987	1.8
71.52290	1.6
74.98627	1.3
79.05500	28.0
81.03424	2.2
81.07063	36.3
83.04969	2.3
83.08628	13.6
85.06544	2.4
87.20014	1.4
91.04968	2.8
91.05489	26.8
93.07050	33.9
95.04958	2.9
95.08616	68.6
95.67853	1.3
97.06554	6.7
97.10180	4.4
98.98450	9.1
99.08176	2.1
105.07044	33.7
107.08596	22.0
109.06552	2.5
109.10169	11.7
111.08092	3.0
117.03381	1.9
117.07025	11.7
118.03769	1.5
119.08593	29.9
119.09376	2.5
121.06514	2.0
121.10168	17.2
123.08094	4.1
123.11729	2.1
125.09647	3.0
128.06253	1.8
129.07013	7.3
130.07825	1.7
131.08582	21.6
133.10132	21.8
135.11691	11.0
136.05119	1.5
137.00018	7.9
139.11206	2.9
141.06891	1.5
141.09088	1.6
142.07748	1.9
143.08592	9.5
145.02899	4.5
145.10144	21.4
147.11714	12.8
149.09651	1.6
149.13261	5.4
155.01082	6.0
155.08575	3.3
157.10118	8.4
159.08000	1.7
159.10265	4.6
159.11742	15.3
161.13293	8.4
167.95253	1.3
169.10162	5.1
171.11699	10.3
173.13297	11.5
175.11296	2.1
175.14838	2.6
177.05548	5.5
178.05852	6.0
179.06104	2.4
183.11707	8.9
185.11853	1.9
185.13257	7.8
187.14880	5.1
189.12729	1.6
193.10323	1.8
197.13359	4.3
199.14883	3.4
207.11783	1.8
209.13394	1.5
211.03699	2.6
211.14897	2.9
213.16499	3.5
225.16411	1.9
231.17406	1.5
239.18057	2.3
243.21327	1.5
253.19608	1.6
259.80002	1.8
261.22211	3.1
271.20703	1.7
285.22150	4.4
301.22052	2.3
306.63452	1.4
317.24814	2.2
339.28958	4.7
363.25528	4.9
365.28625	14.1
377.27130	4.6
383.29501	19.7
392.38525	1.6
398.72580	1.5
401.30685	3.7
457.33105	14.2
475.34250	100.0
476.34601	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	475.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23428	4.0
53.03944	4.4
55.05504	18.7
56.92579	3.1
57.07076	19.0
65.03945	3.5
67.05501	29.5
69.07069	22.2
71.05000	18.9
71.52010	3.2
71.52428	4.4
72.08145	13.5
72.77758	3.6
74.80605	2.9
79.05487	27.4
81.07059	83.4
83.08601	10.1
85.06559	3.6
91.05492	33.4
93.07056	65.6
95.04964	8.4
95.08612	85.9
97.06556	5.7
97.10168	6.4
103.05484	4.2
105.07036	65.6
107.08591	56.1
109.06522	6.2
109.10151	41.4
111.08076	12.6
117.07017	10.4
119.08585	68.2
121.10142	48.9
123.11726	21.1
125.09746	4.0
129.07042	8.4
130.06676	3.6
131.08540	28.0
133.10117	36.3
135.11720	20.4
137.09628	7.9
137.13234	5.4
142.07814	6.1
143.08557	18.8
143.40492	3.2
144.09209	7.1
145.09021	7.1
145.10118	51.3
147.11705	38.0
149.13275	20.7
151.07492	4.6
151.41444	3.5
155.08495	4.8
156.09383	4.2
157.10139	25.2
159.11678	43.6
161.09679	3.5
161.13254	40.1
163.14827	15.3
169.10112	10.1
171.11662	24.7
173.13307	27.6
175.14844	12.0
178.38556	4.1
182.11087	3.6
183.11699	7.6
185.13278	15.7
187.14828	23.4
189.16379	13.2
196.12401	4.6
197.13252	8.6
199.14845	19.4
201.16377	20.9
203.18002	9.1
209.13223	4.6
211.14868	10.2
213.16431	17.4
215.17950	15.1
217.19473	4.6
217.41556	4.1
223.14922	3.8
225.16437	6.4
227.17917	15.5
229.19528	10.1
239.17940	5.3
241.19469	10.2
243.21262	6.1
251.04689	31.9
253.19601	5.5
255.20988	8.2
257.22577	17.4
267.21268	6.2
269.22604	6.3
281.22525	4.9
283.24246	6.0
307.10883	14.9
325.28732	4.4
346.52667	3.8
363.17096	32.1
441.18823	4.2
457.37585	5.3
468.89658	3.5
475.32489	100.0
475.39374	80.5
476.32825	8.1
476.39252	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	475.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07169	3.2
55.05518	24.1
57.07063	13.1
65.99233	3.3
66.65992	3.2
67.05508	32.6
69.07059	25.1
69.59873	5.9
69.60283	17.0
71.05003	25.4
71.07020	3.7
79.05494	29.6
80.62723	3.3
81.06596	6.4
81.07059	79.3
83.08617	11.6
85.06530	4.6
91.05488	24.9
93.07049	67.0
95.04982	9.2
95.08617	96.7
97.10162	7.9
105.07037	63.6
107.08598	56.0
109.06558	5.1
109.10169	46.8
111.08108	17.9
111.11699	5.2
113.09631	6.7
113.88940	3.9
117.07039	7.9
119.08586	65.1
121.06512	3.8
121.10147	48.1
121.76971	3.8
123.11712	22.0
129.07022	4.9
130.07736	4.1
131.08589	33.1
133.10144	36.4
135.11690	26.0
137.09674	3.6
137.13280	6.6
142.07787	6.0
143.08531	14.5
145.10130	44.9
147.11705	35.4
149.13278	25.8
155.08568	6.1
157.10130	29.4
159.11690	55.6
161.13284	28.4
163.14822	21.6
169.10150	11.7
171.11696	28.6
172.12437	4.3
173.13254	40.5
175.14824	22.4
177.16281	5.3
181.10123	3.8
183.11696	11.1
185.13301	22.1
187.14839	30.0
189.16400	12.4
197.13254	9.7
199.14857	18.4
201.16484	21.1
203.17984	10.6
209.13290	4.9
211.14842	11.7
213.16451	20.4
215.18021	18.9
217.19514	7.6
223.14874	5.0
225.16362	12.0
227.17973	16.2
229.19498	9.9
237.16331	5.8
239.17932	12.6
241.19444	8.5
243.21112	7.2
251.04713	19.1
253.19528	9.4
255.21078	14.2
257.22632	23.9
267.20932	5.2
269.22617	7.6
281.22580	7.6
283.24265	9.5
307.11060	7.0
321.25500	3.5
323.27304	6.2
325.28906	8.3
363.17160	17.3
439.35757	8.2
457.37933	5.1
475.32471	80.8
475.39331	100.0
476.32971	4.4
476.39487	5.9
483.23245	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	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	15.1
55.05506	5.2
56.05034	10.1
57.03429	4.4
61.02925	3.9
69.03415	14.9
70.06599	31.2
70.81068	5.4
70.81400	7.5
71.04971	4.2
72.08147	16.6
73.02920	5.4
74.06087	23.3
81.03419	7.5
84.04510	29.1
84.08147	30.5
85.02914	33.3
86.06041	3.8
86.09713	29.3
91.05501	8.1
95.01333	34.8
95.04958	6.8
96.04503	5.2
97.02899	14.5
98.06051	4.2
100.46966	3.4
102.05534	12.6
103.05499	7.8
105.07030	34.5
107.04957	8.0
109.02895	7.7
112.14320	4.0
113.07124	4.8
115.05426	8.9
116.07083	11.6
117.07016	8.6
119.04940	14.4
120.67690	4.9
121.02887	6.9
123.04430	42.2
127.03913	7.1
128.06242	4.7
128.07121	7.0
129.10220	12.1
131.04962	23.5
132.10196	6.4
133.06496	66.4
138.05499	8.2
141.06615	6.9
143.11787	5.7
144.06638	3.9
145.04926	4.1
145.05344	5.6
145.06493	65.5
147.04436	62.7
147.82487	4.0
149.06035	7.3
157.06505	11.4
159.07942	8.7
161.05994	100.0
163.03966	5.8
165.05510	17.5
169.06398	14.7
171.04378	11.7
171.08040	7.0
173.06001	83.3
173.09244	4.9
175.03915	9.8
175.07503	3.8
177.05457	6.0
182.05005	13.5
185.06007	16.3
187.07541	14.9
189.05447	22.1
189.12416	7.1
191.07079	13.8
193.08627	47.4
197.05974	28.9
199.07542	13.8
201.05415	26.9
215.07036	56.8
217.04956	5.7
219.06564	70.6
231.06467	14.6
233.08080	31.0
237.07521	6.3
243.06590	42.9
261.07605	69.2
270.10852	4.4
279.08652	56.2
290.07535	4.7
476.14813	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	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01872	2.8
57.03422	1.8
59.04992	1.3
60.70981	1.1
61.02941	1.2
69.03435	6.3
69.80459	5.4
70.06583	2.5
71.04978	1.7
72.08150	1.8
73.02908	1.8
79.05500	4.7
81.03435	6.9
84.04491	1.5
85.02908	15.7
85.79810	1.1
86.09703	2.8
87.00826	5.8
87.04475	1.7
89.03951	1.3
89.06050	1.5
91.05514	2.4
92.93197	0.9
95.04972	1.0
97.02895	7.0
99.04453	2.2
103.05471	3.9
105.01868	4.4
105.07038	47.4
108.04506	4.0
109.02898	7.2
111.04455	1.3
115.05463	10.3
118.04156	2.8
119.03453	1.0
119.04930	1.5
121.02899	2.2
126.05570	2.1
127.03918	10.3
133.06506	40.9
143.04999	1.1
143.06073	3.7
145.04965	4.1
159.02911	3.8
161.05994	100.0
162.06374	1.4
167.06999	1.1
177.05437	1.0
193.08614	83.0
211.09686	1.7
213.12233	1.1
221.08119	1.7
230.06607	1.6
231.05121	1.7
248.07619	3.0
284.06726	1.4
285.07010	2.3
295.05652	3.1
297.19110	1.5
308.06433	2.7
309.07050	1.5
313.07098	4.0
314.07385	10.6
320.06406	1.3
326.07413	2.9
337.07047	1.4
338.07401	6.5
356.08539	3.1
380.08551	1.6
422.09842	2.0
440.10614	1.8
458.11441	2.2
460.64865	0.9
476.12296	1.3
476.18311	1.3
495.39944	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77477	0.3
53.03938	1.5
55.05269	0.6
55.05515	8.6
57.03162	0.4
57.03445	7.4
57.07072	1.0
62.06071	0.6
63.90135	0.4
65.03934	1.3
67.05511	28.8
69.06741	0.5
69.07075	7.2
69.89696	1.5
69.90100	0.9
71.04980	0.5
79.05498	15.6
81.03428	0.6
81.07063	23.7
82.14010	0.3
83.04968	1.2
83.08615	2.9
91.05487	8.4
93.07053	17.0
95.04955	1.5
95.08614	21.1
97.06543	1.1
97.10170	0.7
98.06044	0.4
98.20782	0.5
105.04551	0.7
105.07016	4.0
107.07896	0.5
107.08604	7.1
109.06530	0.6
109.10164	6.1
111.08067	0.7
117.07011	1.7
119.08606	3.2
119.09324	0.6
121.09348	0.4
121.10155	5.3
123.11707	2.0
125.09638	0.4
131.08574	2.2
133.10170	2.3
135.11697	3.4
142.34836	0.5
145.10106	1.2
147.11687	1.1
149.13286	0.8
159.11723	0.5
161.13248	1.0
173.13322	0.6
194.26738	0.4
198.05260	0.4
204.21034	0.4
216.06335	0.9
261.22092	0.9
304.26321	3.8
335.25824	100.0
336.26059	2.0
435.72235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09241	1.1
53.03960	1.6
55.05514	10.7
57.03435	4.6
62.06094	39.6
65.03936	3.0
67.05508	37.9
69.07075	11.0
69.77742	6.8
79.05503	23.5
81.06590	2.1
81.07065	34.4
82.93023	1.1
83.04979	2.0
83.08620	2.8
85.05280	2.5
88.99822	1.1
91.05480	12.1
93.07049	25.7
94.44102	1.2
95.04962	1.8
95.08610	26.9
97.06523	2.8
98.06068	4.0
98.20835	1.7
98.98481	12.2
105.07044	8.8
107.08595	11.2
109.10151	8.2
113.53262	1.2
117.07038	2.0
119.08567	7.1
121.10147	9.4
123.11743	2.6
124.01550	1.8
131.08585	3.9
133.10156	4.6
135.11713	4.8
142.02667	1.6
144.81917	1.1
145.10089	2.6
147.11673	3.7
149.13309	2.9
150.38841	1.1
155.01039	4.2
159.11732	2.5
161.13228	2.4
163.14841	2.0
173.02170	2.3
173.13329	1.8
175.14815	1.4
187.14861	1.3
198.05328	3.6
216.06363	4.2
243.21172	2.1
261.22156	9.5
299.23782	1.3
304.26370	38.7
317.24612	1.3
335.25821	100.0
336.26199	2.9
458.26678	3.5
476.27881	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	477.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
55.01867	1.9
57.03425	1.8
65.03938	1.7
67.05492	1.5
69.03432	9.8
69.07059	1.5
71.04993	3.3
71.31115	1.0
73.02892	1.3
73.77998	1.0
80.44802	1.0
81.03423	29.3
81.07071	1.2
85.02909	8.6
91.05486	100.0
93.07084	1.5
95.08582	0.9
97.02895	8.7
99.04445	3.6
105.03339	1.8
105.07051	4.7
107.08608	1.1
109.02887	33.4
110.03679	3.0
111.04469	1.5
115.05436	9.6
117.07009	12.2
119.04939	2.5
125.02351	8.3
127.03924	64.7
129.06956	1.2
133.06511	10.1
139.03902	1.1
140.87962	1.1
143.04945	2.2
145.06467	5.5
153.01900	1.7
155.08568	1.5
157.06323	1.0
161.05997	50.7
169.04984	3.5
171.04387	6.9
179.07025	10.9
181.04883	1.2
187.06053	1.0
189.05530	4.5
199.07631	2.1
217.04909	1.4
253.06931	1.6
269.08109	1.9
271.08121	1.7
287.09018	5.8
305.10318	3.8
315.08630	2.6
318.60565	1.2
330.13303	1.0
333.09479	1.6
365.45334	1.1
399.59012	1.4
459.04990	1.0
459.12515	1.3
477.07333	2.2
477.13937	34.1
478.14944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01561	1.2
52.61877	1.2
53.03939	5.8
55.01870	1.7
57.03429	1.8
65.78566	1.3
67.05498	1.7
69.03437	12.7
69.66730	8.3
71.05015	2.8
72.11720	1.4
79.05487	3.0
81.03425	31.5
81.07072	2.6
83.04955	1.5
85.02896	7.5
91.05490	100.0
93.07048	1.5
95.04970	1.9
95.08654	2.1
97.02905	12.6
98.20764	2.6
99.04462	5.7
105.03413	2.7
105.07044	5.2
107.05032	2.2
109.02889	40.7
115.05474	15.0
117.07021	16.8
119.04950	4.5
121.02822	1.8
123.04433	1.6
125.02380	3.7
127.03930	69.5
129.06996	1.5
131.04889	1.5
131.08595	1.4
133.06514	17.8
137.05968	2.8
143.04980	6.2
145.04988	1.5
145.06511	6.6
147.04413	2.1
149.05910	1.7
161.05997	98.7
162.06406	2.8
163.03963	2.3
169.04988	4.7
171.03000	2.2
171.04453	10.5
175.03879	1.8
179.07068	22.0
189.05449	4.3
209.08037	2.4
227.07195	1.3
242.49232	1.4
253.07158	2.6
260.07724	1.3
269.08234	1.5
287.09106	3.4
292.10626	2.1
315.08539	4.8
324.13113	1.5
477.13995	21.5
477.28455	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01879	1.9
57.03445	1.0
65.03946	2.0
66.74669	0.9
67.05494	2.8
69.03432	8.8
69.07053	1.3
71.01358	0.8
71.04986	2.8
71.51186	0.9
71.51567	1.4
73.02901	1.5
79.05489	3.1
81.03424	33.7
81.07057	4.6
81.21658	1.0
83.05010	1.2
85.02908	5.1
85.37924	0.9
87.04449	0.8
91.05486	100.0
93.07051	2.0
95.04975	1.6
95.08606	2.6
97.02896	8.9
97.10178	0.9
99.04459	5.6
103.05466	1.1
105.03386	1.1
105.07065	4.7
107.04936	4.0
107.08592	1.6
109.02885	41.3
109.10146	1.5
110.03677	2.1
111.04434	1.8
115.05453	9.1
117.07018	13.6
119.04938	5.0
119.08615	1.4
123.04347	0.9
125.02359	9.3
127.03931	76.8
131.04907	0.9
133.06485	8.0
133.10172	1.0
135.11691	1.2
136.58765	1.0
137.06010	1.7
143.04964	3.1
145.04959	1.8
145.06537	4.3
145.10130	1.4
147.04388	1.2
147.08072	1.0
147.11705	1.1
149.13362	0.8
153.01843	1.2
153.05553	1.1
153.06984	0.9
155.05968	1.0
155.08583	1.0
161.05992	50.9
169.04977	4.9
171.03146	1.4
171.04390	6.6
179.07039	9.6
187.06012	2.2
189.05441	5.6
199.07503	1.7
227.12637	1.1
244.74641	1.1
245.08398	1.0
253.07133	1.7
269.08203	2.3
271.08179	1.7
287.09213	5.0
305.10190	6.2
315.08594	3.2
371.04187	0.9
459.13055	1.6
477.07361	2.0
477.13916	27.7
477.28366	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	477.1398
Annotation	Kaempferol 3,5-dimethyl ether 7-glucoside
Peak:m/z	Relative Intensity
55.01862	0.7
57.03448	4.0
61.02918	2.5
65.03933	1.7
68.99794	4.0
69.03415	1.3
73.02917	1.4
81.03416	5.8
85.02908	18.6
91.05480	2.0
93.03416	1.5
95.04958	1.9
97.02894	2.4
98.20770	1.1
98.21423	2.5
103.03918	2.0
107.04948	3.0
109.02896	7.7
119.04935	5.3
121.02874	12.6
121.06501	1.9
123.04440	2.5
125.02367	1.8
127.03913	5.3
135.04396	0.9
147.04417	23.7
149.02347	9.8
151.03914	0.9
153.01860	4.8
163.03900	2.1
165.01842	14.2
165.30515	0.6
167.03490	1.2
171.02872	2.3
172.98727	0.6
175.04016	0.9
177.01843	64.0
179.03461	1.1
183.02863	3.7
189.01846	3.4
191.03415	6.4
195.02901	100.0
203.03427	1.8
205.01350	1.1
205.05127	0.9
205.07085	3.0
207.02931	3.0
209.04599	0.7
215.03314	1.2
219.02922	10.1
231.02870	2.8
233.04434	0.7
237.03940	12.7
243.02921	2.0
249.04041	3.1
261.03912	5.6
273.07620	2.0
279.04993	3.9
285.07504	5.6
297.07614	56.4
298.08105	1.0
303.78165	0.7
309.07443	0.9
311.09018	0.9
315.08612	9.2
327.08954	0.8
339.08749	6.6
351.08551	1.0
357.09720	17.0
363.08743	0.9
369.09720	2.1
381.09622	3.2
399.10623	3.5
417.11841	1.8
477.13907	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	477.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.6
64.41827	1.9
67.05508	16.5
69.07066	6.6
69.92772	9.4
71.04985	6.2
79.05498	10.3
81.07063	27.8
83.06184	2.0
83.08619	4.6
85.06596	2.6
91.05486	13.5
93.07050	25.3
95.04983	3.6
95.08611	38.5
97.10172	3.8
104.12674	2.1
105.07057	21.9
107.08598	16.8
109.06532	5.7
109.10158	17.4
111.08069	8.8
113.09662	3.2
117.07043	2.2
119.08604	16.9
121.10144	13.7
123.08077	12.0
123.11709	6.6
131.08572	6.2
133.10130	8.9
135.08072	6.6
135.11700	6.8
137.05981	5.8
137.09618	5.6
143.08615	5.0
145.10139	8.0
147.11697	7.5
149.09622	6.4
149.13284	6.2
151.07555	100.0
157.10149	6.1
159.11723	11.8
161.09666	2.6
161.13275	6.6
163.11221	2.3
163.50391	2.4
165.09119	12.5
171.11697	2.9
173.09595	2.6
173.13213	3.3
174.06659	2.2
175.07542	7.1
175.11252	2.6
175.14896	2.8
177.09105	15.6
185.09639	2.7
186.10628	2.1
187.11232	2.5
187.14738	3.3
188.08372	2.3
189.09076	20.8
189.16420	3.0
191.10672	19.9
191.14384	2.2
197.09660	4.3
199.11066	2.9
199.14899	3.5
201.09146	5.4
201.16362	2.7
202.09927	3.5
203.10672	27.6
203.17955	2.7
205.12244	4.6
213.16312	2.9
215.10706	12.7
217.12257	10.6
223.00674	2.2
225.12848	2.6
227.10641	4.4
228.11522	2.4
229.12263	7.6
229.19601	2.8
231.13797	3.8
241.12012	3.0
243.13837	7.0
245.15382	2.6
255.13818	5.5
257.15439	8.8
259.16953	6.4
271.16849	3.6
283.16937	3.5
285.18494	10.0
325.21640	3.8
327.23151	4.5
327.26718	2.6
393.27750	3.3
419.29645	5.0
459.32767	5.8
477.33551	47.2
477.40646	4.1
481.97455	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	477.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.3
53.57360	2.6
53.92825	2.4
54.09426	2.6
55.01874	5.7
55.05268	4.3
55.05513	40.9
57.07075	25.2
61.16402	2.6
67.05243	2.5
67.05509	32.8
69.06727	4.3
69.07073	60.0
71.04985	10.9
71.08628	13.0
79.05511	26.0
81.07059	100.0
83.04969	7.1
83.08622	36.1
85.06528	5.9
85.10180	5.7
85.75078	2.6
91.05484	16.3
92.97604	2.9
93.07057	37.2
95.04948	4.2
95.08610	84.6
97.06544	4.6
97.10160	21.9
99.04475	18.3
105.07040	21.8
107.08590	29.6
109.06486	14.6
109.10159	40.7
111.04459	8.3
111.08036	3.0
111.11710	14.3
117.07006	4.6
119.08587	23.3
121.10162	23.8
123.08053	9.5
123.11703	18.8
125.05988	11.7
127.03933	24.7
129.07010	3.1
131.08589	6.7
133.10120	15.1
135.11685	14.8
137.05988	75.7
137.09625	6.4
137.13243	11.2
139.07602	3.4
141.05376	3.6
144.09248	3.1
145.10104	9.7
147.11673	9.7
149.09709	5.7
149.12144	3.2
149.13245	16.0
151.07539	12.7
151.11206	3.0
151.14833	3.5
153.05458	4.5
155.06998	10.9
157.10130	8.8
159.11687	14.4
161.09535	4.1
161.13260	6.5
163.14799	10.4
165.09138	10.1
165.16483	4.4
167.07002	7.7
171.11655	7.3
171.54039	2.8
173.09662	4.7
173.13277	3.2
175.07492	4.3
175.11163	5.5
175.14917	4.2
177.09145	8.3
177.16373	4.0
179.07014	6.5
179.17825	3.7
183.06549	29.4
185.09679	6.5
187.11197	4.4
187.14798	3.6
188.08340	4.0
189.09167	5.8
193.08601	5.9
199.11160	3.4
203.10677	22.7
205.12326	3.2
207.10242	4.3
207.21194	2.9
215.10773	3.9
219.13744	4.2
231.13841	3.9
235.09634	25.9
275.27353	10.2
315.30542	3.5
333.31256	3.1
399.32529	16.1
417.33640	9.4
441.33725	4.7
459.34811	14.2
477.35345	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	477.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30700	4.5
53.03938	9.4
55.01855	6.5
55.05513	42.2
57.03441	3.9
57.07070	18.3
57.64447	4.2
59.91597	4.5
62.65394	4.4
67.05514	30.6
69.07070	57.2
69.28542	24.9
69.28966	10.6
69.41467	3.7
71.05006	5.4
71.08633	12.5
79.05492	25.2
80.05776	4.1
81.06586	7.6
81.07056	100.0
83.08630	25.2
85.10192	5.2
91.05484	16.9
93.07045	30.6
95.08614	75.7
97.06521	4.3
97.10172	17.9
99.04442	12.2
105.07052	24.3
107.08598	28.5
109.06503	13.1
109.10152	32.3
111.04415	8.7
111.11698	8.9
119.08568	17.3
121.10141	21.7
121.98981	4.5
123.08055	5.5
123.11695	18.7
125.05965	10.0
125.13223	5.2
127.03930	28.7
130.83112	4.0
131.08611	11.0
133.10123	14.4
135.11705	18.1
137.05978	79.7
137.13269	7.8
138.06413	4.4
141.05482	7.6
142.07840	5.0
143.08661	5.4
145.10109	11.4
147.11726	8.2
149.09705	6.1
149.13258	15.0
151.07530	13.7
157.10133	12.0
159.11714	11.7
161.09602	5.8
161.13342	5.6
163.07509	5.3
163.14786	7.6
165.09003	5.7
167.07022	9.0
175.11153	6.2
177.09125	7.4
177.16443	5.5
183.06514	24.3
185.09631	9.5
187.11209	7.5
188.08153	4.9
189.09126	7.2
191.17838	5.4
199.11234	4.9
203.10712	41.8
217.12233	5.8
219.13765	6.9
223.82622	4.4
243.17482	5.1
250.87810	4.9
275.27411	7.6
381.31503	9.6
399.32553	17.7
417.33713	6.4
459.34991	24.9
477.34335	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	477.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02237	1.2
53.86140	1.1
55.01879	1.3
55.05518	12.8
57.07082	31.9
67.05501	8.7
67.65094	1.0
69.07072	25.4
69.45795	4.1
69.46223	3.6
71.08636	20.0
79.05486	4.9
81.07064	25.1
81.83528	1.0
83.04983	1.5
83.08624	13.9
85.10187	13.5
91.05476	5.0
92.12097	1.0
93.07061	8.2
95.04990	1.8
95.08617	19.3
95.65359	1.1
97.06530	3.0
97.10181	10.2
99.04470	3.8
101.44315	1.1
105.07029	6.2
107.04927	2.2
107.08588	8.0
109.06530	11.1
109.10146	9.6
111.08089	3.0
111.11732	7.2
119.08612	6.2
120.19600	1.1
121.06483	2.3
121.10171	5.7
123.08082	12.4
123.11704	4.4
125.05995	15.8
125.09618	1.5
125.13265	1.1
127.07571	33.4
131.08586	3.2
133.10141	5.6
135.08047	3.6
135.11693	4.2
137.05986	2.7
137.09607	3.5
137.13255	2.0
139.07544	100.0
145.10121	3.2
147.11697	3.4
149.06007	3.5
149.09615	3.0
149.13313	2.1
151.07518	9.4
153.24747	1.3
157.10152	1.4
159.11682	2.2
161.13229	3.7
163.07602	3.5
163.14751	1.2
165.09103	4.4
167.07062	5.1
169.08583	1.5
173.13234	2.2
175.11334	1.4
175.14862	2.2
177.09108	12.0
189.12750	1.2
189.16335	1.6
203.14363	1.3
219.13826	1.4
249.14957	1.9
249.18491	1.3
261.04776	1.3
301.28806	3.2
319.26770	1.3
319.29990	7.3
347.33142	11.5
373.31082	5.6
399.36224	2.6
417.37311	14.9
427.35776	2.5
445.36798	30.2
477.33368	2.8
477.39468	49.6
491.46103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.7
54.04262	2.0
55.01870	5.9
55.05507	11.7
57.03437	4.9
57.07074	3.4
59.04993	2.8
59.65117	2.4
65.03940	4.6
67.05516	17.0
69.03437	18.0
69.07084	11.0
70.06598	4.4
71.04984	2.9
71.51309	3.5
79.05503	8.7
81.03423	32.9
81.07063	32.1
83.05005	5.5
83.08613	6.5
85.02910	9.3
85.06530	3.6
89.24876	2.3
91.04908	5.1
91.05483	100.0
93.07056	23.3
95.04989	9.6
95.08064	4.1
95.08616	54.2
95.73808	2.1
97.02905	9.9
97.06555	2.7
97.10152	3.9
99.04454	4.2
105.07040	20.4
106.04188	3.9
107.04951	6.8
107.08593	34.6
109.02882	34.0
109.06499	3.2
109.10157	30.2
111.04486	2.4
111.08096	3.6
112.80237	3.0
113.05957	2.6
114.58218	2.2
115.05458	8.7
115.07542	3.9
117.07040	6.4
119.04948	2.8
119.08585	18.7
121.06529	7.2
121.10146	28.1
123.04412	4.8
123.05354	2.0
123.08045	4.3
123.11697	15.4
125.02348	6.3
127.03925	29.1
131.04910	3.6
131.08548	4.8
133.06471	5.9
133.10133	16.7
135.11700	25.1
137.06020	11.6
137.13264	10.0
141.09151	4.2
143.10687	4.4
145.04990	2.6
145.06516	5.9
145.10147	7.1
147.04468	2.8
147.11720	17.3
149.05965	5.6
149.13290	18.2
151.03929	3.2
153.12782	2.5
159.10207	7.1
159.11702	8.3
161.05981	32.5
161.13283	15.6
163.03986	2.8
163.11035	2.3
163.14815	12.8
167.07062	5.5
171.04439	3.9
173.13274	6.8
175.03911	3.0
175.14856	9.9
177.05511	4.0
177.16391	2.6
179.07037	24.4
181.05009	4.4
181.08629	3.1
187.14830	3.7
189.05569	3.3
189.16385	5.3
191.17949	29.1
199.07562	2.9
199.14804	2.8
201.16440	3.5
203.17958	7.9
205.19531	6.3
209.08043	7.1
215.18010	3.9
217.15944	4.4
217.19542	5.5
219.17484	4.1
233.08092	2.4
235.05907	2.7
254.08994	2.6
271.08170	2.7
277.48053	2.1
287.09320	4.9
423.36450	4.2
440.46292	2.5
441.37250	8.6
459.38602	15.7
477.13901	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	477.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22163	2.0
55.05511	17.7
57.07058	5.8
59.05006	2.4
64.26636	2.6
65.03953	2.7
67.05508	37.2
69.06739	2.3
69.07076	32.0
71.05006	14.5
71.12125	3.7
71.12460	2.4
79.05497	28.1
81.07063	100.0
83.08625	15.2
85.06539	3.0
91.05489	26.2
93.07048	70.7
95.04989	5.7
95.08616	99.9
97.10167	10.2
105.07037	62.4
107.08604	71.3
109.06516	6.5
109.10162	61.7
111.08104	14.1
111.11736	4.9
113.09631	5.7
113.78427	2.0
117.07041	7.2
119.08592	57.7
121.10151	54.1
123.08081	2.1
123.11707	29.5
129.07085	2.9
129.57899	2.2
131.08589	18.3
133.10138	42.5
135.11693	35.1
137.09622	3.7
137.13263	8.8
142.07768	3.2
143.08572	7.7
144.09254	2.8
144.80447	2.5
145.10129	32.1
147.11700	35.9
149.12143	1.4
149.13264	41.1
149.14388	3.6
155.08592	2.5
157.10115	17.9
158.10915	2.9
159.11711	42.5
159.13039	3.0
161.13271	34.2
163.14832	26.6
169.10210	2.7
171.11716	14.3
173.13255	25.9
175.14828	19.2
177.12839	3.8
177.16396	7.5
183.11755	3.6
185.13246	9.7
187.14832	17.8
189.16377	19.7
191.17970	7.2
195.11908	2.1
197.13298	3.4
198.13931	2.0
199.14844	9.0
201.16402	16.4
203.17967	19.5
205.19582	2.1
211.14857	4.8
213.16393	9.7
215.17975	12.5
217.19507	20.9
223.14668	3.1
225.16386	4.5
227.17961	7.0
229.19557	10.9
231.21167	7.2
239.17957	3.0
241.19556	7.7
243.21173	7.0
245.22574	3.3
255.21133	3.7
257.22717	10.0
259.24316	7.6
267.21289	2.8
269.22565	4.3
271.24326	4.7
283.24243	2.8
285.25717	6.9
297.25900	3.9
299.27454	3.1
309.25964	3.3
325.28763	3.0
327.30389	4.1
353.28467	2.3
367.30087	3.8
381.31409	3.6
407.32770	2.7
419.36646	8.7
459.39832	9.1
477.35144	3.8
477.40979	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	478.2933
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03937	1.0
54.89069	0.2
55.01864	0.5
55.05515	12.1
57.03442	7.5
57.07082	1.5
62.06076	0.7
65.03938	0.7
67.05508	25.9
67.64442	0.2
69.07072	16.1
69.18884	2.2
71.04996	0.6
71.08624	0.6
79.05499	7.2
81.07062	26.2
82.07368	0.3
83.04965	0.9
83.08620	7.1
85.06526	0.6
85.10159	0.2
91.05486	5.6
93.07049	6.7
95.04958	0.5
95.08612	19.0
96.08919	0.3
97.06544	1.5
97.10168	3.0
98.06042	0.9
98.98472	0.5
99.08090	0.6
105.04449	0.3
105.07039	4.3
107.08602	3.3
109.06485	0.4
109.10162	6.7
111.08076	1.0
111.11716	0.9
119.08587	2.3
121.10139	3.2
123.08053	0.4
123.11708	2.6
124.01599	0.5
125.09641	0.3
133.10144	2.4
135.11702	2.0
137.09656	0.5
137.13211	1.2
147.11716	1.2
149.13297	0.7
151.14769	0.5
153.12697	0.3
161.13261	1.0
163.14818	0.7
175.14839	0.7
196.67412	0.3
198.05293	0.5
216.06294	0.8
224.13423	0.3
245.22667	0.3
263.23703	1.6
264.42920	0.2
292.30792	0.2
298.36658	0.2
306.27951	5.8
337.27380	100.0
338.27707	2.5
358.58951	0.2
454.81100	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.05503	8.5
59.48531	2.2
62.06094	32.0
67.05515	31.3
69.07080	12.5
70.15923	6.5
74.10914	1.9
77.94138	2.0
79.05496	9.5
81.07065	29.2
83.08610	8.2
87.43070	2.4
91.05482	7.4
93.07041	10.8
95.08624	21.1
97.06548	2.4
97.10177	2.9
98.06055	3.8
98.21476	3.1
98.98449	10.5
105.07034	4.4
107.08586	3.8
109.10144	6.6
109.69883	2.1
119.08611	2.4
121.10129	6.0
123.11695	2.9
124.01607	2.1
131.05202	2.2
133.10091	2.9
135.11652	3.3
135.82449	2.6
137.13269	2.8
142.02728	2.5
155.01030	8.1
175.87573	2.1
185.56400	2.3
190.19072	2.2
198.05150	2.7
216.06371	5.3
245.22644	2.9
262.72189	2.4
263.23682	7.7
306.24741	3.3
306.27945	28.1
337.27371	100.0
338.27612	3.5
460.28549	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	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03944	0.4
55.01860	0.7
57.03450	1.2
60.22561	0.2
60.93106	0.2
61.02931	1.5
65.03942	0.4
68.99794	0.3
69.03084	0.3
69.03428	3.9
69.18288	2.0
69.18701	0.6
70.06580	0.5
71.04987	0.6
72.08142	0.2
73.02914	0.6
74.95559	0.2
81.03412	1.8
85.02905	10.4
86.09675	0.4
87.04469	0.4
91.03951	0.7
91.05464	0.2
92.02624	1.2
93.03393	1.5
97.02893	3.7
99.04467	0.8
105.25083	0.2
109.02913	1.2
111.00786	0.3
118.55700	0.3
121.02876	1.4
126.03149	0.5
127.03917	1.7
129.05544	0.3
137.05963	0.4
139.03880	0.9
145.04945	1.7
151.03914	0.8
153.01833	8.6
164.07040	0.2
165.01846	0.7
177.05501	0.3
201.05501	0.8
203.03377	0.6
217.04979	1.1
218.05702	0.4
219.03072	0.3
228.04161	1.9
229.04982	4.0
231.02815	0.4
231.10245	0.7
240.42578	0.3
245.04491	1.6
246.05261	1.7
256.03647	0.3
257.04416	2.6
260.03186	0.6
261.07620	0.4
273.04016	1.7
274.04730	4.2
284.03113	0.5
285.03934	4.8
302.04218	14.2
317.06558	100.0
318.06955	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01862	0.7
57.03437	1.1
61.02930	1.7
65.03931	0.4
69.03088	0.2
69.03435	4.0
70.06580	0.6
71.04989	0.8
72.08151	0.5
73.02905	0.4
81.03419	2.1
83.01344	0.3
84.04509	0.2
84.08144	0.3
85.02909	11.0
86.09702	0.4
87.04472	0.4
91.03964	0.7
92.01139	0.2
92.02633	1.1
93.02920	0.2
93.03419	1.3
95.04953	0.3
97.02899	3.8
98.21539	0.4
99.04458	0.6
105.04652	0.2
105.07012	0.2
107.04964	0.3
108.65456	0.2
109.02879	0.9
120.02037	0.2
120.08140	0.3
121.02885	1.2
126.03133	0.5
127.03925	1.9
129.10236	0.5
136.07616	0.3
137.02319	0.2
137.05983	0.4
139.03902	0.9
145.04951	2.1
151.03876	1.0
151.04968	0.2
153.01837	8.4
153.12662	0.3
161.06021	0.3
163.03911	0.4
164.07091	0.5
165.01880	0.7
165.12946	0.2
166.02637	0.2
173.05965	0.3
177.05508	0.6
183.02940	0.2
200.04700	0.5
201.05501	1.2
203.03403	0.6
216.07922	0.2
217.05040	1.3
218.05774	0.8
219.02965	0.4
228.04160	1.5
229.04955	4.2
230.05307	0.2
231.02925	0.5
231.10193	1.2
245.04462	1.4
246.05235	1.9
257.04431	2.8
260.02957	0.3
273.03906	1.9
274.04745	4.6
275.05060	0.2
278.54178	0.2
284.03168	0.6
285.03958	5.1
286.04410	0.3
301.03586	0.4
302.04221	13.2
303.04608	0.3
317.06567	100.0
318.06915	2.6
429.73788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86590	1.8
55.01860	2.3
55.05499	1.8
57.03437	8.8
57.07063	1.7
59.04995	1.9
59.66240	1.7
61.02913	7.9
65.03917	1.9
67.05492	3.1
69.03419	5.4
69.07063	6.8
70.06586	8.3
71.04996	40.0
72.08156	3.6
73.02906	5.5
75.04484	2.5
79.05484	5.7
80.42793	1.8
81.03415	4.9
81.07057	8.6
83.04986	10.4
83.08620	2.7
84.04510	4.4
84.08112	3.3
85.02911	66.3
86.09701	7.8
87.04456	3.7
87.60873	1.7
91.05477	6.4
93.07033	12.8
95.04947	2.5
95.08599	3.7
97.02882	7.2
98.20767	5.2
99.04493	1.8
99.49962	1.9
103.05475	1.7
103.75887	1.9
105.07015	5.0
107.04961	3.8
107.08627	9.9
107.25493	1.9
109.02867	4.1
109.06460	2.7
109.10158	2.6
111.04433	4.3
112.13470	1.7
119.08578	6.0
120.08076	7.8
120.08920	1.8
121.02819	2.2
121.10103	2.8
123.08071	1.9
127.03900	7.0
127.48561	1.7
129.05498	15.7
129.29086	1.9
131.08595	2.4
135.08035	2.0
135.11699	9.5
136.07591	3.1
137.05986	2.9
137.13286	2.5
143.04623	2.0
145.04898	2.5
147.06520	9.8
147.11635	2.2
148.07568	4.8
149.09557	3.4
150.09126	3.8
151.11179	2.4
153.01813	8.3
153.11508	3.5
153.12753	37.7
159.11674	2.3
165.12715	4.1
173.09624	4.5
177.05544	2.8
189.12766	2.3
201.13000	2.0
215.14052	2.2
219.13683	3.2
229.05023	4.6
237.14899	1.8
243.13751	2.0
245.04382	2.4
274.04684	4.4
285.03860	5.8
297.17014	2.4
302.04218	14.3
315.17947	7.4
317.06558	100.0
317.14740	3.9
318.06976	4.5
479.20465	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	479.249
Annotation	Glu-Leu-Phe-Ala
Peak:m/z	Relative Intensity
50.91424	3.8
63.36506	3.0
67.71522	3.1
67.95893	3.2
70.72850	10.5
70.79213	3.6
71.05000	20.8
79.05492	4.9
81.07059	14.1
83.04963	5.1
84.82764	3.2
85.02911	31.7
93.07073	5.6
97.02892	6.0
103.14085	3.7
107.05023	3.1
107.08616	3.7
109.68211	3.4
111.04504	3.8
127.03940	4.5
129.05508	4.0
134.01282	3.0
135.11713	11.8
136.07576	4.5
139.13606	3.5
147.06599	4.0
153.01854	9.3
153.12747	69.1
197.51668	3.3
200.26416	3.8
203.03293	3.6
205.53835	4.5
260.14767	3.7
264.59396	5.4
274.04590	3.4
285.03949	5.0
302.04245	13.8
317.06589	100.0
499.04214	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	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	17.3
55.01877	16.5
55.05270	3.0
55.05515	39.0
57.03443	56.7
57.07059	5.6
65.03943	4.7
67.05508	98.9
68.92701	2.2
69.03433	79.9
69.07074	30.9
71.01347	9.1
71.04995	16.6
71.06385	4.7
73.02934	12.9
75.04464	2.5
77.08984	2.5
79.05499	82.0
79.81979	2.3
81.03425	65.2
81.07062	100.0
83.04984	18.1
83.08646	14.4
85.02910	42.8
85.06509	5.2
85.48545	2.2
87.04468	8.3
91.05492	68.1
93.06487	5.2
93.07050	73.5
95.04991	17.6
95.08612	65.8
97.02906	27.3
97.06528	9.6
97.10178	5.7
99.00845	2.6
99.04460	17.7
101.02402	8.1
103.03957	12.2
105.07039	72.0
107.04971	8.4
107.08604	47.1
109.02901	37.8
109.06513	12.1
109.10165	33.7
111.04440	8.8
111.08092	4.0
115.03938	9.3
115.05437	6.0
117.05582	3.1
117.07022	34.6
119.08582	54.1
121.06519	8.3
121.10158	41.1
123.04465	5.1
123.08080	7.6
123.11743	5.8
125.06054	3.2
125.09589	2.9
127.03925	40.4
128.06232	7.8
129.05562	11.8
129.07013	27.0
131.08574	48.3
133.06523	12.1
133.10146	38.7
135.04343	3.9
135.08054	7.0
135.11716	24.7
137.05962	5.2
137.09627	4.3
140.71719	2.5
141.05450	2.5
141.06992	5.2
142.07750	5.5
143.08589	20.4
145.04977	13.5
145.06465	12.3
145.10132	33.7
147.04378	2.8
147.08049	11.0
147.11699	26.3
149.05997	3.8
149.09642	6.7
149.13286	17.1
151.11238	4.1
153.06946	2.7
155.08559	11.3
157.06468	6.2
157.10129	19.3
159.08070	9.1
159.11694	24.4
161.05983	4.9
161.09665	7.5
161.13261	14.8
163.07562	3.1
163.11180	5.0
163.14766	4.6
167.08484	4.5
169.10153	11.9
171.08032	5.5
171.11717	13.6
173.09717	4.8
173.13326	17.6
175.07555	3.8
175.11232	6.2
175.14796	7.5
177.12750	5.8
181.10130	2.9
183.06534	7.7
183.08040	4.8
183.11656	8.7
185.09668	6.0
185.13322	12.3
187.11203	7.8
187.14844	11.6
189.09055	2.6
189.12753	5.6
195.11768	5.5
197.09627	4.3
197.13261	8.1
199.11201	5.2
199.14822	9.3
201.07637	7.2
201.12801	4.6
203.14334	3.0
209.13306	3.3
211.11234	3.8
213.12793	3.0
215.14424	4.7
223.14798	3.5
225.12727	4.4
227.14209	3.5
229.12329	2.7
234.12408	2.7
243.21083	3.9
253.19698	2.8
259.20654	5.5
261.22073	11.7
271.20621	3.5
273.22186	8.0
277.21619	3.7
285.22067	4.9
287.23770	3.3
299.23868	3.5
301.21585	6.0
303.23126	5.9
307.28265	22.2
315.23199	9.6
317.24640	4.3
327.23218	8.7
335.25781	9.2
338.27423	13.2
341.24741	9.1
345.24213	7.8
351.23248	15.6
357.24213	4.6
359.25647	5.2
363.25211	3.2
369.24216	24.8
377.27094	3.1
387.25317	19.6
405.26556	6.1
419.27673	4.0
425.26938	3.7
431.27847	2.6
443.27979	27.0
449.29053	5.1
461.29053	46.0
479.30060	71.8
496.23862	2.6
504.54776	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	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	20.7
55.01855	11.2
55.05510	41.4
57.03440	43.7
57.07096	5.7
63.40675	3.8
65.03975	6.0
66.44157	4.1
67.05511	99.7
69.03432	60.8
69.07076	28.2
70.83243	4.1
71.01363	9.5
71.04990	13.4
71.51405	5.1
73.02917	13.2
79.05504	71.2
81.03429	45.7
81.07069	100.0
83.04989	19.3
83.08621	18.5
85.02914	35.3
85.06532	7.8
87.04487	5.3
91.05486	76.0
93.07053	78.0
95.04971	22.4
95.08619	58.3
97.02901	23.8
97.06548	7.6
97.10153	8.2
99.04452	16.0
101.02409	6.2
103.03943	7.9
103.05476	7.3
105.07040	73.6
107.04962	9.8
107.08601	37.0
109.02888	17.4
109.06524	11.7
109.10172	27.2
111.04466	9.5
113.02380	4.4
115.03995	5.3
115.05428	5.3
117.07017	38.5
119.08572	45.3
121.06500	9.8
121.10163	32.8
123.04469	7.6
123.08048	9.9
123.11729	6.3
127.03925	27.4
128.02695	4.4
128.06194	9.1
129.05492	9.0
129.06985	14.1
131.04956	7.4
131.08594	44.8
133.06476	11.8
133.10132	32.8
135.08022	10.9
135.11678	22.5
137.05984	6.0
137.13203	4.1
141.07008	12.0
143.08568	18.5
145.05006	7.2
145.06503	11.5
145.10117	40.8
147.08026	8.8
147.11664	25.8
149.09650	5.4
149.13293	11.1
155.08595	14.0
157.06512	6.0
157.10179	20.7
159.08063	8.5
159.11694	31.5
161.06067	5.2
161.09598	9.9
161.13263	17.9
163.07510	7.1
163.11099	5.0
167.08505	4.3
169.10168	9.8
171.11717	26.0
173.09604	8.2
173.13271	16.7
175.11160	7.9
175.14807	6.3
181.08461	3.7
181.10033	8.2
183.06572	8.9
183.11728	8.3
185.13271	12.2
187.11119	6.5
187.14774	4.7
195.11723	4.7
197.09644	4.7
197.13293	9.1
199.14815	10.9
201.16397	4.7
203.60991	5.1
210.24561	3.7
217.12300	4.8
233.15259	4.0
259.20523	6.6
260.43695	4.4
261.22256	10.4
273.22156	8.1
277.63916	3.7
301.21469	8.6
303.23297	5.0
315.23193	8.3
323.24026	4.5
327.23230	12.3
335.25647	5.7
341.24835	7.0
345.24271	7.3
351.23068	13.0
359.25894	6.9
369.24356	31.0
387.25308	18.7
401.27115	5.1
443.27789	26.0
449.29214	5.1
461.29132	43.2
479.30066	81.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.05513	5.2
57.07069	1.4
58.89296	1.1
61.46374	1.1
62.65020	1.0
64.14911	0.9
65.03925	1.1
65.06401	1.0
67.05509	9.6
67.92530	1.1
68.46661	1.0
69.03413	1.7
69.07069	6.2
71.04979	3.5
71.74078	1.1
79.05485	6.3
81.06599	1.4
81.07063	17.3
83.04975	1.1
83.08592	3.8
85.06545	1.9
89.24860	1.1
91.05489	5.9
93.07044	12.5
95.04948	2.1
95.08611	23.7
96.08950	1.1
96.50124	1.0
97.10156	3.0
98.20749	2.9
105.07027	10.9
107.08603	8.4
109.06501	3.0
109.10150	10.9
111.04443	3.0
111.08076	3.8
113.09660	1.5
117.07050	2.2
119.08578	8.7
121.06513	2.2
121.10153	7.4
123.08083	10.0
123.11703	6.8
126.94662	1.0
131.08540	3.1
133.10112	5.9
135.08110	5.4
135.11691	4.6
137.09621	4.1
137.13222	1.3
143.08566	1.7
145.10152	5.9
147.11667	4.6
149.09608	2.6
149.13342	2.4
151.07552	100.0
152.07826	2.6
157.10103	1.5
159.07999	1.9
159.11708	5.3
161.05963	1.4
161.09612	1.2
161.13278	3.1
163.11192	1.8
163.14832	1.9
165.09123	7.1
171.11700	1.4
173.09641	2.7
173.13217	2.3
175.07536	2.7
175.14810	2.0
176.08401	2.2
177.09129	14.3
177.12709	1.6
177.16364	1.6
187.14766	2.8
188.08412	2.1
189.09129	8.6
190.09796	1.1
191.10681	34.3
201.09071	1.5
202.09859	1.5
203.10667	15.7
204.11096	1.2
205.12238	20.1
215.10606	2.3
217.12282	6.0
228.11320	1.2
229.12334	1.9
231.13792	2.1
243.13875	1.8
257.15549	1.3
259.16861	3.2
271.16922	1.8
299.19983	1.1
311.27771	1.4
327.23148	2.6
329.24863	1.5
341.28503	1.3
395.29407	1.9
421.30963	3.0
461.34268	3.3
479.35205	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	479.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58237	2.7
55.05510	6.8
57.07082	74.5
67.05491	6.8
69.07064	11.1
71.04984	12.6
71.08633	62.4
71.51550	4.3
79.05499	6.5
81.07041	9.2
83.08583	7.9
85.10198	44.0
89.06037	42.5
91.05479	6.3
93.07040	14.2
95.08597	9.9
97.10169	8.0
99.11756	5.9
105.07025	9.7
107.08602	12.7
109.06548	3.3
113.13301	5.8
119.08601	5.6
121.10145	7.1
125.05994	63.8
135.11722	3.5
141.05476	8.5
145.10138	4.4
149.05917	4.2
151.07550	33.5
153.05479	100.0
153.09085	4.1
159.11736	5.7
163.07524	10.5
165.09123	32.5
167.06956	4.0
173.13264	4.2
177.09129	18.3
179.10683	12.4
181.08665	6.0
183.06555	15.5
183.26236	3.4
187.11143	4.4
191.10658	13.9
195.10159	4.6
205.12241	5.0
209.11754	4.0
223.13307	3.7
229.15866	4.2
247.16882	4.9
251.16460	8.7
265.17993	8.1
279.19568	11.2
293.21210	7.2
307.22696	5.4
321.24292	6.5
335.26141	3.4
371.11230	4.7
398.44363	3.2
419.35239	55.7
461.35873	4.6
479.36810	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	479.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	22.0
57.03437	2.2
57.07082	12.4
62.32901	2.1
66.90845	2.6
67.05509	20.2
69.07072	33.4
71.04995	3.8
71.08618	5.5
71.27142	2.9
71.27498	4.4
72.06715	3.2
79.05476	9.3
80.27350	2.4
81.06655	3.2
81.07064	36.5
83.04962	3.4
83.08624	23.3
85.10210	2.9
89.06043	19.1
91.05470	9.5
93.07059	15.1
95.04995	2.7
95.08607	30.5
95.35888	2.2
97.03988	2.4
97.10180	17.0
105.07027	7.0
107.08606	12.4
109.06524	8.4
109.10177	16.6
111.08070	5.7
111.11721	7.8
119.08571	9.1
121.06503	2.5
121.10124	6.0
123.08065	5.8
123.11761	11.6
125.05997	13.2
125.13266	2.6
127.03970	3.2
127.68461	2.5
131.08519	4.3
133.08641	12.7
133.10127	6.9
135.08052	4.8
135.11732	5.5
137.06007	24.2
137.09579	3.7
137.13272	3.3
139.07541	30.3
143.08549	3.3
145.10121	4.1
147.11671	3.3
149.05956	2.9
149.09647	5.9
149.13315	4.0
151.07530	16.7
157.10106	2.8
159.11708	3.6
161.13281	4.3
163.11009	2.2
163.38387	2.7
165.05479	7.7
165.09142	3.5
167.07031	10.9
171.11687	3.5
173.13306	4.4
175.07532	4.2
175.11186	3.2
177.09116	49.3
179.07059	8.4
185.13217	3.2
189.09097	2.7
190.70761	2.7
193.08566	6.2
196.43883	2.3
205.12224	7.5
213.99336	2.5
217.12219	3.1
219.13768	3.1
235.13487	3.1
283.17468	6.1
287.27216	3.2
305.21243	2.8
305.28311	2.6
317.06674	3.3
337.11429	2.5
397.34586	4.2
401.34045	6.1
415.35562	6.7
425.34079	9.0
443.35089	15.5
461.36353	25.5
479.34827	100.0
480.35623	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	479.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20558	1.9
53.03950	2.5
55.05518	11.2
55.93021	1.7
57.03436	16.6
57.07082	89.2
59.04993	2.9
65.03938	3.0
65.69656	1.8
67.05511	59.3
69.07073	16.0
70.91737	3.5
71.05013	3.2
71.08617	3.5
77.13140	1.7
79.05502	32.6
81.07068	53.7
81.99039	2.1
83.04984	2.8
83.08623	4.7
89.06027	8.5
91.05486	19.1
93.07050	40.3
95.04952	4.0
95.08616	47.4
97.06530	2.6
97.10185	4.0
103.07579	2.6
105.07048	17.8
107.08605	24.4
109.06516	2.5
109.10166	32.9
113.05927	1.8
117.07024	5.5
119.08576	12.2
121.10151	26.0
123.08151	2.4
123.11691	11.1
127.11208	30.1
131.08594	15.5
133.09271	1.8
133.10109	12.0
135.11705	17.4
137.13257	2.4
145.10120	8.0
145.12253	8.7
147.11705	6.9
149.13261	12.4
149.23610	2.2
159.11681	9.2
161.13277	6.9
163.14859	7.9
171.11687	2.3
173.13266	7.9
175.14867	3.9
177.16344	3.2
187.14836	3.9
201.14867	100.0
243.21111	9.9
261.22171	51.1
299.23706	3.6
302.70547	1.9
317.24826	9.1
335.25812	47.6
406.93884	2.0
461.36343	16.0
479.36798	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	479.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	37.0
57.07077	87.9
67.05505	37.5
67.61488	7.5
69.07079	66.1
71.05045	7.9
71.08636	72.7
71.51891	10.6
79.05481	25.0
81.07066	72.5
83.04969	10.7
83.08621	41.9
85.10195	46.9
93.07043	33.2
95.08601	66.6
97.10180	29.3
99.04475	8.6
101.06004	35.7
105.07040	15.9
107.08594	29.6
109.06541	31.1
109.10186	19.4
111.11718	17.3
115.07571	12.9
119.08597	13.2
121.10133	23.6
123.11721	10.5
125.06036	14.7
125.09682	8.2
125.13213	10.4
127.07560	100.0
129.05493	71.1
133.08699	12.1
135.11697	20.6
137.06020	17.1
139.07565	21.3
139.11247	13.0
149.13260	20.5
151.07562	16.8
155.77441	8.5
158.64735	9.0
159.11771	9.8
163.14861	19.3
167.07037	10.3
177.16345	19.5
183.06598	9.4
183.25237	8.4
210.34177	7.8
223.20439	11.5
228.87770	8.2
289.28900	9.5
380.34869	8.4
433.36673	15.7
439.99460	9.5
479.34946	25.1
492.44431	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58973	2.7
55.05521	24.4
57.07081	85.5
60.84752	2.4
62.73550	2.6
67.05492	15.4
69.03415	2.7
69.07079	39.7
71.04973	2.6
71.08633	85.7
74.97880	2.3
79.05489	13.6
81.07063	40.9
83.04971	11.4
83.08639	25.8
85.06570	5.1
85.10188	46.5
88.05777	2.7
91.05453	6.4
93.07052	30.1
95.04952	2.6
95.08045	4.1
95.08615	35.1
97.06525	7.1
97.10176	21.5
99.08099	9.4
99.11710	4.7
101.06028	35.2
105.07037	4.2
107.05046	2.8
107.08598	29.1
109.06500	10.2
109.10163	20.3
111.08066	8.5
111.11720	11.4
113.09635	2.9
113.13271	4.0
115.07569	8.3
118.53641	2.4
121.10162	19.8
123.11691	10.9
125.05997	9.5
125.09638	7.9
125.13275	5.9
127.06632	5.5
127.07565	91.0
127.14820	3.2
129.05487	100.0
135.11691	20.2
137.13251	3.9
139.07498	9.4
139.11174	4.1
139.14830	3.1
141.05507	3.1
143.07056	7.2
145.10201	3.5
149.09573	3.0
149.13278	19.2
151.14789	4.5
153.05441	3.0
153.09085	5.9
153.12749	5.9
157.08649	3.4
163.11243	2.8
163.14816	17.1
167.10704	5.2
167.14366	7.8
171.10249	2.8
177.16367	11.1
181.15845	7.6
185.11702	4.3
191.17984	6.8
195.17462	4.8
199.13272	3.6
205.19518	5.4
209.15277	3.4
209.18974	3.7
213.14740	3.0
219.21077	5.1
223.20692	4.3
233.22682	5.2
237.22105	2.9
241.18054	5.2
251.23744	3.1
289.28851	7.8
307.30099	13.3
310.23773	2.6
317.28488	6.3
479.36676	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	480.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
60.04520	6.3
68.05021	2.3
69.03417	3.1
69.53324	12.9
70.06593	9.5
72.08150	2.3
80.05017	2.2
81.03402	5.6
81.07053	5.5
84.04509	50.3
84.08135	3.6
85.02925	2.1
86.09711	6.6
87.10007	1.6
95.08620	2.2
96.04506	19.7
97.02892	3.9
98.06057	13.0
99.04470	2.0
108.04472	2.3
109.02887	6.8
109.10195	2.4
110.06050	2.0
110.07166	2.7
120.08093	5.8
125.60915	1.8
126.05527	62.9
127.03960	2.2
135.20499	1.6
136.07530	3.2
138.05508	100.0
144.06561	19.7
157.13400	2.5
163.14828	4.6
164.07014	4.5
165.07454	2.6
168.06566	29.7
181.15765	2.1
186.07637	40.8
204.08707	16.5
241.17804	1.9
246.09702	2.3
259.19046	3.6
350.16400	1.7
426.25027	11.6
444.25949	14.0
462.26874	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	480.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69906	1.3
53.03929	1.8
54.88653	1.2
55.05512	2.0
56.05031	2.0
60.04536	6.2
67.05513	2.7
68.05020	2.0
69.03419	4.6
69.07120	1.3
69.31015	3.7
69.31429	6.5
70.06597	1.8
79.05495	1.7
80.05013	3.0
81.03409	4.5
81.07055	4.6
84.04510	51.2
84.08106	2.0
93.07075	1.5
95.08606	4.4
96.04491	21.3
97.02898	4.2
97.68060	1.4
98.06063	12.6
98.20645	1.5
104.20599	1.5
107.04965	18.0
107.08559	1.8
108.04529	2.6
108.05284	7.9
109.02883	7.9
109.10165	2.1
120.19830	1.3
121.19794	1.2
126.05524	68.2
127.03944	2.6
138.05513	100.0
144.06587	18.8
147.04376	1.3
163.14859	4.6
168.06578	33.5
181.15814	1.4
186.07623	35.7
187.14757	1.4
204.08696	16.4
205.15863	1.5
217.05038	2.0
218.85947	1.4
223.16924	2.0
241.18001	3.6
246.09927	1.6
259.19138	4.3
307.28586	1.3
318.06796	1.5
320.92780	1.3
340.70709	1.5
342.10400	1.3
384.11615	3.5
396.11597	2.1
408.24109	1.7
426.24890	11.2
444.26114	12.0
462.26947	4.6
484.62158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46129	2.6
67.05509	8.0
69.07079	4.2
70.06618	3.8
71.05002	25.5
75.04461	3.2
79.05498	13.2
79.33211	2.8
81.06588	6.0
81.07062	100.0
83.05000	5.4
84.04491	3.7
84.08167	4.6
85.02914	44.4
86.09718	3.0
89.01078	2.9
91.05463	4.1
95.08620	18.9
98.20778	6.0
129.05479	18.7
137.06003	19.2
137.13249	24.5
145.05003	4.0
147.06528	13.8
162.35837	2.4
225.10246	4.3
239.11906	3.3
253.13359	3.2
269.17334	3.2
281.12939	3.6
285.11728	2.7
309.12241	7.6
327.13373	18.6
462.17288	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	480.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.3
57.03432	5.4
57.07077	4.4
62.06094	25.0
63.68521	1.8
67.05505	12.5
69.07069	20.3
69.79043	9.3
71.08635	4.1
79.05495	5.0
81.07052	12.7
83.08630	17.1
93.07027	4.8
95.08604	13.4
97.06541	1.8
97.10176	6.9
98.20686	1.8
98.98463	7.7
99.56474	1.6
107.08609	6.1
109.10197	4.2
111.11726	2.9
121.10158	5.6
123.11718	2.8
135.11696	5.3
155.01080	9.1
216.06441	2.8
247.49895	1.7
265.25436	2.3
297.06445	1.8
308.29453	27.8
326.58682	2.0
326.96609	1.9
335.97098	1.8
339.28955	100.0
340.29272	4.0
419.25421	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	480.309
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
52.50561	0.6
53.03943	0.9
55.01862	0.7
55.05277	1.0
55.05519	14.0
57.03441	6.4
57.07080	6.1
58.06546	0.8
62.06077	0.7
66.69866	0.6
67.05512	10.0
69.07072	19.9
69.70985	4.0
71.08639	4.3
73.19799	0.7
74.73808	0.5
79.05497	3.4
80.05652	0.5
81.07065	11.6
83.08628	14.4
85.06525	0.6
85.10201	1.1
86.09708	2.2
87.10063	0.7
88.22693	0.5
88.24441	0.6
91.05504	0.8
93.07060	5.8
95.08614	11.7
97.06533	2.5
97.10179	7.8
105.06914	0.6
105.12946	0.6
107.08598	4.1
109.10180	4.2
111.08080	0.9
111.11723	2.5
121.10168	5.8
123.11682	1.6
125.00069	1.0
135.11707	3.8
144.10214	0.8
149.13223	1.6
155.19308	0.6
169.56168	0.7
265.25330	1.4
280.60666	0.7
308.29468	3.2
339.28979	100.0
340.29199	2.1
480.33408	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	481.0979
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.03943	0.8
55.01863	1.6
55.05500	0.6
56.05035	0.9
57.03437	1.0
60.04516	1.2
61.02937	1.8
63.18849	0.4
68.99789	0.9
69.03437	3.5
69.07070	0.9
70.06602	3.5
71.04992	0.4
71.51365	0.6
72.08157	5.1
73.02912	0.3
73.08479	1.1
81.03413	2.2
81.06988	0.3
84.04501	1.2
84.08150	3.3
85.02911	10.5
86.09227	0.5
86.09711	6.6
87.05590	1.2
87.10034	0.8
91.03944	0.7
91.05484	0.9
95.04962	0.8
97.02898	3.5
99.04448	0.6
105.07032	0.5
107.04932	0.6
109.02886	1.6
110.07160	0.9
113.07152	0.5
119.04917	0.4
120.08122	3.6
121.02880	1.1
121.08446	1.1
123.04453	0.6
125.02386	0.7
127.03923	2.2
129.10237	1.4
133.06146	0.9
136.07584	1.6
137.02350	3.5
137.05977	3.2
141.10205	0.4
145.04965	1.7
147.04434	0.7
151.00247	0.4
151.03957	0.5
153.01842	1.3
159.11316	0.5
162.09105	0.6
164.07068	0.5
166.08688	0.6
169.01323	4.4
171.02994	0.6
171.04453	1.0
175.03951	0.8
181.01320	1.8
185.00778	0.6
189.05441	0.6
199.03894	1.4
203.03320	0.4
207.11287	1.8
208.11661	1.3
217.05002	1.6
227.03461	1.0
235.06052	0.4
235.10756	1.1
236.11011	0.9
240.13484	0.8
245.04469	3.4
246.14560	0.7
247.14725	0.6
255.02908	0.6
263.05441	0.5
265.08737	0.4
273.03885	2.8
290.04196	0.6
297.11237	0.4
301.03323	2.1
319.04498	100.0
320.04813	2.3
388.03198	0.4
445.16043	0.5
463.16745	0.7
481.11734	1.0
481.18066	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1112
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
53.03939	3.1
67.05495	2.7
69.03441	5.8
69.29250	2.7
69.29585	21.9
76.87441	2.4
81.03409	4.6
84.08143	4.0
85.02910	5.3
91.05480	3.1
95.04957	2.5
97.02921	3.6
98.20728	4.5
98.97570	5.4
105.07047	4.3
107.04979	2.7
107.08581	3.0
110.97577	5.5
116.98611	4.7
119.08621	2.3
120.08079	2.6
121.06573	2.6
122.03641	3.8
127.03988	4.0
128.98596	3.0
131.04942	2.7
133.06500	5.2
133.10158	4.0
135.08070	3.0
136.07573	2.3
137.05989	48.6
147.04472	3.1
159.08043	4.1
161.05989	3.6
167.07030	11.9
172.34477	2.3
187.07620	3.6
195.08138	2.6
215.07115	5.5
215.14319	2.3
219.01778	7.8
237.02879	5.1
254.04633	4.1
265.08548	5.1
271.97174	2.2
285.11240	8.1
329.50253	2.6
395.10016	5.8
413.11392	5.8
437.12146	14.9
481.11127	100.0
481.17450	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	481.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
56.30743	0.6
56.77831	0.6
65.03937	1.5
67.05506	1.2
71.11905	1.7
79.05483	1.3
79.37540	0.6
81.03420	21.5
81.07030	1.5
91.05488	15.7
93.07059	1.1
95.04977	1.7
95.08634	1.0
97.02900	12.7
103.05470	30.1
105.07030	1.3
107.04939	3.1
107.08662	0.8
109.02884	62.4
109.06544	0.7
111.93337	0.6
119.04940	27.3
119.05798	1.3
123.04450	0.9
125.02386	1.1
127.03924	3.0
131.04932	64.7
133.06506	1.0
137.05995	1.3
139.03989	3.8
147.04413	100.0
148.04872	0.9
149.06001	1.0
151.07558	1.2
163.48828	0.7
165.05457	1.4
165.06918	1.2
167.06985	4.0
169.04962	2.1
169.06502	0.8
177.05440	1.2
179.07071	3.2
181.06433	1.5
192.07761	0.8
193.04955	2.0
195.08047	2.0
196.08910	0.8
197.06013	2.1
197.07927	0.9
207.06532	2.2
211.07730	1.2
212.08350	2.4
213.09128	1.2
225.07411	1.2
225.09296	0.8
227.07074	1.1
227.10707	1.8
228.07698	0.8
237.09195	0.8
241.08646	1.1
243.10147	3.9
250.09995	1.4
251.07057	0.7
255.10167	8.3
256.10864	1.5
265.08386	0.7
271.09677	11.5
272.10043	1.4
275.47662	0.8
281.11795	1.5
297.11157	1.6
309.11194	6.0
314.10999	1.0
327.12076	1.0
429.73734	0.7
463.17068	2.2
470.49142	0.7
481.18216	4.0
482.17285	0.7
490.14072	0.8
507.66809	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.165
Annotation	Blestriarene B
Peak:m/z	Relative Intensity
52.07029	0.4
55.05493	1.1
57.07055	0.4
59.54534	0.4
67.05492	1.7
69.07053	0.6
70.00397	2.0
79.05479	0.5
81.07046	1.7
83.08620	1.5
91.05494	0.8
93.07049	1.0
95.08600	1.6
96.17664	0.4
97.18060	0.4
107.08582	0.6
109.10141	0.7
121.10125	0.7
121.13757	0.4
133.33165	0.4
135.19632	0.5
148.16264	0.5
149.13370	0.4
175.07422	0.5
201.05417	0.9
215.07103	0.9
240.66364	0.5
265.08710	0.8
277.77917	0.5
305.09637	0.4
308.29337	1.1
309.29810	2.0
334.09918	1.1
335.10678	0.9
336.11258	0.5
339.28983	0.5
340.29446	0.7
347.06955	0.8
347.10703	0.6
349.08444	0.7
349.12170	2.5
352.11020	1.6
361.08545	0.6
362.09271	2.8
363.10208	1.8
364.10822	2.2
367.13629	0.7
374.09363	0.6
375.10422	0.6
376.11008	0.5
377.07788	0.5
377.11905	2.7
378.12558	0.9
380.10428	5.6
389.11917	1.3
390.08878	1.1
391.09503	1.1
391.13846	0.7
392.10339	1.7
392.14774	2.2
395.12869	7.5
404.10571	0.5
405.10999	3.4
406.12024	2.8
407.12939	5.5
408.09427	2.4
409.10452	0.7
410.15170	0.5
419.13196	0.9
420.13718	4.5
421.14340	4.7
422.11118	1.1
422.15698	0.8
423.12317	12.9
424.12360	0.5
433.10730	0.8
435.15884	1.4
437.13925	3.2
438.14651	12.7
451.11926	1.5
453.17010	30.0
454.17386	0.9
465.13611	0.5
466.14230	3.3
481.16501	100.0
482.16919	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	481.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.8
55.01863	2.1
62.15623	0.7
65.03933	2.7
67.05509	1.3
71.50940	1.6
72.27921	0.7
74.11749	0.7
74.17163	0.7
77.03882	1.0
79.05481	3.5
81.02991	1.3
81.03419	17.6
81.07040	2.5
91.05479	18.3
93.07055	1.4
95.04964	4.8
95.08584	1.3
97.02892	13.3
103.05468	32.6
105.04467	1.7
105.07053	1.6
107.04958	11.6
107.08595	0.8
109.02880	59.9
109.06497	1.8
117.03439	0.8
119.04121	1.9
119.04943	29.7
121.06466	1.6
123.04415	3.3
127.03916	3.5
131.04927	66.3
132.05269	1.3
133.02873	1.8
133.06027	0.8
135.04398	3.4
137.06003	4.5
139.03900	4.0
147.04413	100.0
148.04782	1.1
149.05981	1.8
151.07515	1.6
152.06172	1.5
153.06981	2.0
154.06227	1.2
155.07036	0.8
157.10115	1.2
161.05917	1.2
163.03886	5.4
165.05475	3.8
165.07002	4.5
167.07050	14.4
167.08432	1.3
168.05748	1.0
168.07391	2.6
169.04961	1.9
169.06416	1.9
177.05501	2.6
179.07045	8.8
180.05727	1.0
180.07841	1.2
181.06546	3.8
181.08134	0.7
182.07214	1.1
182.09344	2.0
183.06567	1.2
183.08080	2.2
183.09654	1.5
184.08832	1.2
184.12637	0.8
185.05911	0.8
191.07048	1.1
192.06158	0.9
192.07805	3.3
193.04967	10.0
193.06544	1.6
193.08246	2.9
194.07227	1.6
195.06506	1.7
195.08051	5.0
196.05011	0.9
196.08830	5.3
197.05980	5.8
197.07956	2.0
198.78363	0.9
199.07509	1.2
200.08321	1.0
207.06519	10.5
209.06039	0.8
210.06728	1.2
210.08736	1.4
211.07492	2.8
211.09334	1.5
212.08273	9.2
213.05440	2.1
213.09009	2.5
215.07103	1.3
215.10678	2.0
222.06775	1.1
223.07506	2.0
224.08337	3.2
225.05432	1.6
225.07533	4.8
225.09134	4.2
226.09753	1.3
227.07069	1.9
227.10689	5.5
228.07880	4.8
229.08481	1.1
235.07523	1.4
237.09166	1.2
238.09865	1.6
239.06982	2.2
239.10674	1.1
240.07851	4.0
241.08636	3.9
243.10178	15.5
244.10539	1.2
249.93614	0.9
250.09845	3.2
251.06926	1.3
253.08514	2.2
254.09294	1.7
255.10162	29.1
256.10944	8.9
257.11832	1.9
266.09268	3.3
270.08621	1.1
271.09641	41.2
272.09988	6.0
281.11682	5.4
283.09692	1.7
297.11276	6.3
309.11206	20.8
313.10733	1.6
314.11044	1.7
327.12241	1.8
413.13925	1.2
422.16699	2.2
431.14825	5.0
451.17270	1.1
463.17435	11.2
464.36542	0.8
481.18317	14.3
481.28873	0.8
482.16614	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89471	1.6
53.67207	1.4
55.01860	3.4
55.08028	1.3
67.05511	2.6
69.03415	4.2
70.05558	1.5
70.06584	3.9
70.88663	3.2
78.04689	5.6
79.05498	3.3
81.03451	1.5
81.07045	2.3
84.04467	1.3
84.08143	7.5
85.02896	1.6
91.05472	5.3
93.07050	3.3
94.04175	3.9
95.04958	1.8
103.05467	2.7
105.07041	2.5
106.04152	3.7
107.04943	6.2
107.08582	2.0
109.06507	1.6
109.10143	1.6
119.08553	1.8
121.06451	3.4
122.03643	6.6
123.04452	8.6
124.05165	3.5
129.10268	2.8
131.04877	3.5
133.06483	1.4
137.05978	70.2
137.53366	1.5
143.92735	1.3
145.06454	2.0
145.40115	1.5
147.04419	2.4
149.06007	2.7
151.03889	5.3
151.07513	2.1
152.04735	1.8
157.06497	1.8
159.04378	1.4
161.05980	5.7
165.07042	3.2
166.07745	2.1
167.07051	100.0
177.05426	5.5
177.06958	1.6
179.06885	1.7
181.06487	2.7
181.08401	1.3
182.07231	2.1
183.08060	2.5
187.07578	1.7
191.07098	11.2
191.08716	2.5
193.06577	1.4
193.60634	1.3
194.07263	4.4
195.08057	2.8
197.05875	3.1
197.09579	1.8
206.07188	1.9
209.08090	5.3
210.06750	3.2
211.07623	6.7
212.08264	9.6
213.05521	2.8
213.08987	1.8
215.07022	3.2
215.10620	2.9
221.05992	3.4
222.06839	1.8
224.08290	3.0
225.09102	7.4
226.09885	8.7
227.06996	4.7
228.07779	4.0
235.07549	1.7
236.08202	1.6
237.09061	5.6
239.07021	3.5
239.10707	5.0
240.07733	1.5
242.09329	8.3
243.10168	17.7
249.09122	1.9
251.06917	1.9
252.07625	1.8
253.08589	3.7
253.12387	2.0
254.09280	1.5
255.10364	2.3
255.79584	1.5
257.11703	17.2
265.08582	10.1
266.09436	8.7
267.10129	5.4
269.08044	2.1
271.09647	57.3
272.10260	1.9
273.11172	1.6
282.08896	2.6
285.11221	44.0
297.11264	23.0
309.11307	7.6
315.12198	1.9
327.12326	2.4
332.79373	1.4
343.09583	1.6
350.91653	1.6
359.12604	1.8
387.12659	2.7
389.13995	1.7
391.90323	1.3
399.12302	1.9
403.15320	1.7
405.16754	3.8
413.13617	1.6
417.17307	7.1
419.15015	3.5
420.15680	17.7
421.16171	2.1
431.14713	3.8
432.15390	4.1
433.16226	6.0
436.15091	1.9
445.16068	2.8
451.17401	8.9
463.17462	15.7
481.23965	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	481.366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26881	0.3
55.05504	0.9
57.07082	0.4
66.50431	0.4
67.05486	0.8
69.07062	0.6
70.19934	1.4
81.07043	1.0
83.08612	0.6
93.07016	1.1
95.08612	0.9
97.10184	0.5
105.07041	0.5
107.08635	0.9
109.10153	0.8
109.35555	0.3
115.82314	0.3
121.10121	0.6
123.11750	0.6
133.10080	0.4
139.03876	0.3
145.10178	0.5
157.10110	0.5
317.17883	0.9
481.36572	100.0
482.36896	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26881	0.3
55.05504	0.9
57.07082	0.4
66.50431	0.4
67.05486	0.8
69.07062	0.6
70.19934	1.4
81.07043	1.0
83.08612	0.6
93.07016	1.1
95.08612	0.9
97.10184	0.5
105.07041	0.5
107.08635	0.9
109.10153	0.8
109.35555	0.3
115.82314	0.3
121.10121	0.6
123.11750	0.6
133.10080	0.4
139.03876	0.3
145.10178	0.5
157.10110	0.5
317.17883	0.9
481.36572	100.0
482.36896	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
55.05514	21.9
57.07067	10.6
59.04995	2.2
63.28856	2.2
65.03936	2.7
66.44324	2.2
67.05513	42.2
69.03420	7.7
69.07076	33.9
71.04989	17.5
71.08616	4.7
71.12439	4.8
79.05501	27.9
81.07064	95.4
83.04974	2.9
83.08621	12.8
84.49008	2.2
85.06547	5.1
85.10122	2.7
89.06017	9.5
91.05486	25.3
93.06492	3.2
93.07053	63.5
95.04942	3.6
95.07994	4.9
95.08614	100.0
97.06518	8.4
97.10172	8.1
99.03850	4.1
99.04458	47.7
99.08097	4.6
105.07041	58.0
107.08606	80.0
109.06509	3.6
109.10166	66.2
111.08091	8.4
111.11691	2.7
112.59746	2.5
113.09637	3.9
117.07005	7.1
119.08594	61.1
121.10159	56.5
123.08085	4.5
123.11716	22.0
125.09654	16.9
131.08592	20.2
133.08578	6.1
133.10138	53.1
135.08032	2.6
135.11717	44.7
137.13258	9.6
139.00172	2.7
139.11224	3.2
141.09160	15.8
143.08560	6.6
145.10152	34.4
147.11702	42.4
149.13268	25.6
151.11185	9.6
151.14835	3.0
153.09180	6.3
155.10654	7.8
157.10149	11.3
159.11714	34.0
161.13260	34.3
163.14835	18.6
165.12836	2.6
169.10115	3.4
171.11726	7.2
172.06203	2.5
173.13278	25.3
175.14848	24.4
177.12708	3.4
177.16470	12.5
185.13252	6.1
187.14851	19.5
189.16417	15.7
191.17976	4.8
197.13225	4.0
197.15260	3.8
199.14812	8.3
201.16402	21.2
203.17970	13.9
213.16405	7.6
215.18016	15.8
217.19547	10.7
217.35646	2.1
218.92323	3.1
225.16368	3.0
227.17981	6.2
229.19569	10.4
231.21138	5.3
241.19476	6.4
243.21190	8.0
245.22758	3.7
255.21141	2.9
257.22659	8.5
271.24252	12.0
283.17441	3.3
285.25668	7.1
308.84454	2.4
331.26395	3.2
344.15979	2.4
353.32019	5.2
355.89410	2.3
371.29446	3.0
411.32922	2.7
463.39368	13.0
481.40985	61.4
482.40384	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	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.05028	1.4
57.03428	0.7
57.07071	2.8
58.06606	1.3
60.08166	16.0
64.25722	0.3
67.05499	1.1
69.07052	0.6
69.23151	0.8
69.23560	2.8
71.07377	6.2
71.08629	1.7
71.45473	0.3
72.90026	0.3
81.07068	0.7
85.10186	0.8
86.09708	48.1
87.10017	0.3
95.08588	0.9
98.98469	4.4
100.50568	0.3
104.10747	100.0
105.11051	0.6
109.10257	0.4
110.22666	0.3
125.00009	28.4
163.01608	0.7
175.54652	0.3
184.07346	96.4
185.07674	0.4
258.10999	1.0
299.25763	2.6
464.31476	8.2
482.32462	26.3
483.32867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27461	0.6
69.27749	6.5
98.97580	11.4
101.19543	0.7
116.67883	0.7
116.98636	4.8
132.96640	0.9
134.99643	1.2
156.96635	1.0
174.97661	6.6
177.00995	0.8
186.95326	0.7
190.95575	1.1
192.98676	3.4
196.94553	1.1
198.97787	1.1
208.96765	0.8
214.95674	9.9
216.98723	6.0
232.96716	18.8
233.96895	0.8
234.99774	5.9
238.95642	1.6
240.98892	1.6
250.97789	8.8
256.96710	38.5
257.96875	1.9
258.99933	7.4
260.00195	1.4
260.99704	1.5
261.03119	0.8
261.99963	0.8
262.02884	0.8
263.03177	0.8
274.97751	58.8
275.97937	3.7
276.98209	1.1
277.00922	5.9
279.00876	0.9
280.96597	3.9
283.00009	12.4
284.00076	2.0
284.99792	2.8
286.99893	0.7
289.96408	1.8
292.98801	7.0
298.97763	86.7
299.97925	5.8
300.97983	1.0
301.01080	11.9
302.01172	1.2
303.00833	3.1
314.95853	0.9
316.98819	100.0
317.98978	5.7
332.96756	1.2
334.99936	1.9
335.23068	0.7
338.95883	0.9
340.00421	2.4
340.98920	2.7
356.96921	1.3
358.99985	7.0
374.98038	3.3
380.96600	1.8
398.97864	4.3
401.00952	1.1
407.95441	0.7
416.98895	10.4
417.45657	0.8
417.99600	1.0
422.97833	6.1
423.98035	1.1
425.01401	1.4
429.00662	0.9
440.98950	93.8
441.99115	9.1
443.02203	2.8
445.02179	1.0
447.02420	0.8
458.99969	75.6
459.99921	6.9
464.99579	0.7
482.01620	3.8
483.00912	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	483.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86002	1.2
54.06646	1.5
55.01863	1.6
55.44233	1.3
55.97824	1.1
56.96339	1.2
56.96571	12.4
57.03430	3.1
58.99856	1.5
59.61554	1.2
61.02933	2.9
61.52267	1.1
63.26559	1.2
66.51251	1.2
69.03435	7.0
70.98122	2.4
71.50455	2.2
73.02918	2.1
75.68800	1.3
81.03400	5.4
82.99873	2.2
84.96021	2.7
85.02908	11.4
91.05456	3.0
94.99827	1.7
97.02888	8.3
98.97592	34.8
101.00890	20.7
102.96850	2.3
103.02437	1.4
107.04974	3.3
109.02862	3.6
110.97588	9.5
112.99127	4.8
113.00887	7.2
115.02445	4.7
116.98611	10.4
119.01929	27.7
119.04932	4.0
127.02428	2.4
127.03902	5.2
128.98622	7.2
129.00276	1.6
131.00156	3.4
131.01915	14.8
131.99161	1.3
132.95828	1.4
133.03490	12.1
133.16217	1.2
134.99617	2.5
137.02942	1.9
137.05968	2.8
139.02388	2.3
140.98586	2.8
143.00189	2.9
143.01903	26.3
143.99081	1.5
145.03479	15.5
146.99629	5.7
147.01401	1.8
147.04388	15.6
149.01239	1.8
152.99678	2.4
155.01883	28.3
155.03117	1.9
157.03461	11.6
158.99641	9.6
161.02969	22.9
163.02769	2.1
163.04532	4.6
163.07486	1.4
164.99573	1.6
167.01935	12.3
168.00133	2.9
169.03473	5.7
170.99608	5.3
171.05113	2.8
172.97583	2.2
173.01320	3.7
173.02962	33.6
174.99222	3.2
175.02834	2.4
175.04518	11.1
177.00728	5.2
177.02290	2.6
177.05365	1.3
178.99435	3.7
179.01866	6.9
179.98357	2.4
181.03484	2.3
182.99628	1.5
183.01372	1.4
183.04988	1.9
185.02977	47.7
186.97131	1.2
186.99118	4.9
187.04523	6.7
188.99110	2.0
189.00679	10.8
190.98604	2.9
191.03993	2.3
191.54082	1.5
193.00191	1.6
195.00679	2.8
197.02972	14.8
199.04509	1.7
201.00662	5.7
201.02438	42.5
201.06102	2.1
201.99591	2.3
203.04034	13.2
205.00162	2.4
205.05605	6.7
206.98715	1.9
207.01749	1.7
209.02971	3.7
211.04518	2.1
213.02441	8.0
215.04036	10.5
215.99411	6.1
217.00204	2.5
217.05637	6.8
219.01700	9.3
219.03545	57.3
221.05072	4.5
224.99945	4.4
225.02223	2.3
227.04070	12.0
229.05457	3.2
230.99962	2.8
231.03487	7.8
235.06529	1.6
237.02701	7.8
237.39998	1.5
240.00200	2.1
240.02274	4.5
242.05084	1.9
243.03687	1.7
245.05099	100.0
246.05219	3.8
247.06764	2.7
249.04526	6.0
252.00441	8.1
255.03732	1.7
255.06615	1.5
257.05176	6.3
261.00696	2.4
261.04810	13.6
263.06137	12.2
270.01291	1.7
275.06125	14.3
279.05536	4.9
281.01675	3.2
281.06866	2.5
282.01602	6.4
285.04395	1.4
293.07230	2.7
303.05661	19.9
305.07269	7.9
307.08765	25.7
312.02954	1.6
312.06696	8.2
321.06796	21.5
321.10303	1.5
335.08130	3.9
337.08395	4.4
349.00363	1.9
365.09430	6.9
377.00439	1.9
402.10040	3.6
423.08420	1.8
483.09952	15.3
483.18137	12.2
484.11728	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	483.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56882	1.5
52.92186	1.4
55.28764	1.5
56.96569	10.8
57.03440	2.4
57.28959	1.5
61.02948	1.6
67.88606	1.5
69.03426	6.5
69.45197	5.2
69.45633	6.3
70.06564	1.6
73.02888	2.4
73.66936	1.5
76.75652	1.4
81.03434	1.8
81.88418	1.7
82.99836	3.2
84.08168	2.6
84.96051	2.9
85.02912	10.6
85.08450	1.6
91.05508	1.8
97.02888	10.0
98.97596	28.8
101.00882	20.7
102.96865	1.6
107.04978	3.6
110.07168	1.6
110.97573	9.8
113.00868	7.2
114.79781	1.5
115.02395	2.8
116.98614	10.0
119.01922	21.5
119.04903	2.1
126.06624	3.0
127.02441	4.0
127.03952	4.2
128.98607	8.0
129.03978	1.8
131.00226	2.0
131.01920	17.6
132.95840	2.5
133.03496	2.3
137.06068	2.0
139.02397	2.0
140.98668	1.9
143.00237	2.8
143.01909	24.9
145.03473	16.2
145.04935	2.6
146.99657	4.5
147.04425	4.9
149.02933	3.3
152.05721	6.7
155.01891	30.3
157.03482	7.0
158.99706	8.8
159.01476	1.6
161.02951	21.5
163.04520	1.8
163.99065	1.5
167.01929	12.6
169.03445	4.4
170.99672	4.4
171.05042	3.1
173.01437	2.7
173.02969	40.2
175.04567	2.3
177.00739	8.2
177.02487	6.8
177.37419	1.7
179.01924	6.5
181.03455	1.7
183.05121	3.2
185.02969	53.9
185.04630	3.2
186.99066	1.7
187.04492	3.5
189.00681	3.8
191.03987	2.5
193.17604	1.8
194.31828	1.6
197.02979	18.6
201.00734	6.5
201.02449	69.5
202.02644	2.1
203.04037	13.4
203.05673	2.1
205.00143	2.3
209.02953	3.9
211.04556	1.9
213.02448	11.7
215.04028	5.6
219.01768	6.8
219.03531	93.3
220.03561	2.4
221.05144	4.2
227.03990	12.8
231.03490	12.3
234.98976	4.6
237.02673	8.6
239.04195	1.9
242.05173	2.4
243.03548	3.6
245.05086	100.0
246.05365	3.7
249.04544	9.9
255.03645	4.2
257.05118	4.7
261.04706	18.6
263.06107	10.5
265.06442	2.1
273.04639	2.0
275.06110	12.6
279.05701	3.4
282.01669	1.9
285.04623	2.6
293.07153	2.4
303.05783	33.4
304.05957	2.2
305.07382	10.3
307.08185	2.0
312.06863	3.6
321.06757	32.7
322.07117	1.7
358.99115	2.3
365.09204	6.7
483.10379	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	483.1805
Annotation	Flavanthrin
Peak:m/z	Relative Intensity
65.03948	0.3
69.79226	1.8
85.94759	0.3
91.05482	0.5
98.27843	0.3
105.07031	0.4
129.07022	0.5
135.38417	0.3
144.05721	1.4
145.06517	0.6
146.07246	0.7
151.07518	1.0
152.82265	0.3
158.07295	1.1
159.08075	2.5
161.05933	0.5
161.09644	0.4
174.06741	2.1
179.04962	0.6
187.07582	1.3
189.09126	15.5
193.06677	0.5
207.04456	1.2
217.08612	26.2
222.06770	13.3
223.07289	0.7
237.09187	0.6
238.09947	0.9
240.07800	0.3
241.08614	0.3
246.43901	0.3
248.37572	0.3
250.06268	0.4
251.10605	0.6
255.10208	0.4
261.09235	0.6
265.08624	14.3
269.11853	0.8
275.10840	0.5
289.08609	2.4
303.10107	2.5
336.11578	0.5
342.09015	0.4
348.11630	0.3
354.12454	0.5
364.10867	2.5
365.11639	0.8
366.12354	0.6
376.10959	0.5
379.13385	2.7
381.15173	0.5
382.11978	1.3
389.11661	0.8
390.12424	0.6
391.13348	1.1
392.10254	2.2
393.11121	0.8
394.11639	0.5
397.14319	2.6
407.12753	7.7
408.13513	0.8
409.14600	0.6
410.11325	0.7
419.12338	0.4
421.14297	0.9
422.15146	2.2
423.15948	1.8
424.16547	0.6
425.13785	4.0
435.12277	0.8
437.17557	1.1
439.15756	0.6
440.16150	3.7
448.17108	0.5
450.14453	0.5
453.13504	0.5
455.18582	28.7
456.18991	1.3
465.17294	0.4
468.15817	2.1
483.18073	100.0
484.18359	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	483.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46128	0.4
69.38887	1.9
69.39309	1.3
74.81060	0.4
82.85727	0.4
83.77421	0.4
89.26712	0.4
91.12891	0.5
95.08676	0.4
103.05516	0.6
105.07059	1.7
115.70726	0.4
118.04150	1.0
131.04956	1.3
144.91672	0.5
161.05992	22.0
175.07616	0.8
185.06058	0.6
222.06831	0.6
251.10843	0.6
267.69223	0.5
268.21829	0.5
320.12073	0.8
321.09302	1.3
332.12003	0.5
333.08987	0.6
335.10999	0.6
336.11594	2.0
345.12766	0.6
346.09433	0.5
347.10709	2.0
348.11462	4.5
349.08679	1.1
349.12363	1.0
351.13928	0.9
358.09662	0.6
359.10690	1.5
360.11453	1.0
361.12433	1.2
362.13052	1.1
363.14072	2.3
364.10898	8.8
364.15027	0.5
365.11511	0.6
374.09262	0.7
375.10144	2.7
375.14075	1.1
376.10983	5.3
376.15103	0.7
377.07837	0.9
377.12021	0.8
378.12543	1.1
379.13330	15.4
380.13687	0.5
388.10956	0.7
389.11652	2.4
390.12393	2.5
391.13342	10.6
391.18207	0.8
392.10187	7.0
394.15680	6.8
402.12836	1.1
403.09430	0.7
404.10519	1.1
405.15332	2.3
406.11261	0.7
406.16083	6.8
407.12723	20.5
416.13785	0.7
417.10913	0.6
418.12109	2.5
419.12851	6.1
419.17520	0.6
421.14346	2.8
422.15161	19.4
423.15732	1.0
432.13687	1.0
433.14426	5.0
434.15253	14.7
435.11777	5.0
437.17548	56.7
438.17966	1.5
447.15881	0.8
448.16806	1.5
449.13739	1.7
450.14667	11.2
451.15030	0.5
452.16406	0.6
455.18491	0.9
465.17029	100.0
466.17508	3.5
475.75162	0.4
483.18085	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	483.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	12.1
55.01869	8.5
55.05516	22.4
57.03442	31.9
61.02929	76.8
61.14502	2.7
65.03935	7.3
67.05508	72.0
69.03437	46.1
69.07072	16.9
70.06571	2.9
71.01340	5.2
71.04980	10.7
71.50958	4.2
71.51330	3.3
73.02908	41.2
74.49838	3.2
75.04446	3.8
79.05069	5.5
79.05496	70.8
81.03421	26.5
81.06599	5.0
81.07063	100.0
83.04973	10.0
83.08616	9.0
85.02905	77.5
85.06545	4.8
87.04462	5.9
91.03964	48.1
91.05484	40.8
93.07047	61.2
95.04968	8.5
95.08614	80.5
97.02897	66.0
97.06536	4.5
97.10143	4.2
99.04491	15.0
101.02365	13.4
103.03957	15.6
104.24377	3.1
105.07036	45.4
107.08604	45.6
109.02858	13.8
109.06506	6.6
109.10158	36.4
115.03922	8.9
115.05410	3.5
117.07008	12.7
119.08582	27.7
121.10148	27.7
123.08046	4.7
123.11704	15.0
127.03245	2.9
127.03932	29.9
129.05479	7.4
131.08594	23.5
133.10136	23.2
135.11690	21.2
143.08565	4.7
145.04987	14.4
145.10150	17.2
147.11670	17.6
149.13245	13.0
151.07588	3.4
151.11145	3.8
153.12581	3.0
157.10129	5.6
159.06470	3.8
159.11665	16.2
161.13277	10.0
163.14885	4.2
171.11691	5.5
173.13260	11.4
173.62628	2.9
175.11131	3.1
177.12585	3.3
179.14362	3.4
181.61739	3.3
183.06534	5.7
187.14819	4.5
217.08624	4.1
229.19542	10.2
247.20575	24.6
289.21616	4.1
305.24835	3.7
321.24265	85.6
340.89520	3.3
447.27612	4.1
455.18546	3.1
465.28671	5.7
483.17773	13.6
483.28973	16.2
483.35919	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	483.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01867	3.0
55.05515	25.0
57.03411	3.9
57.07079	8.0
67.05511	40.8
69.03429	4.9
69.07072	21.1
71.08637	3.6
71.31219	3.2
71.52212	4.5
75.17944	2.9
79.05505	23.0
81.07061	82.2
83.04974	8.6
83.08613	8.8
85.06532	9.0
89.06046	16.3
91.05472	19.0
93.07050	53.6
95.04978	4.3
95.08619	68.8
97.06483	3.6
97.10188	7.5
99.04452	9.0
101.06018	17.8
103.05479	3.5
103.58866	2.8
105.07040	39.2
107.08599	61.0
109.06516	7.7
109.10162	48.0
111.08075	11.4
113.06040	3.7
117.06976	3.8
119.08600	48.2
120.08108	57.8
121.10156	50.1
123.11709	28.9
125.09568	7.3
129.05457	7.4
129.06998	3.7
131.08554	12.1
133.08612	7.8
133.10138	45.1
135.11693	26.2
137.09665	4.2
137.13255	8.0
139.07562	10.3
139.11209	4.4
143.08533	3.9
145.10133	21.5
147.11713	29.1
149.13268	34.4
151.11189	3.5
157.10092	6.5
159.11711	33.7
161.13312	22.8
163.14824	14.3
167.10669	6.9
171.11668	8.2
173.13280	22.7
175.14830	20.1
177.16431	6.5
183.10159	9.8
185.13269	5.8
187.14799	10.9
189.16367	17.2
191.17941	14.3
193.12183	3.6
197.13234	4.8
199.14790	7.5
201.16386	8.2
203.17972	14.5
213.16420	10.6
215.17958	10.0
217.19563	31.8
227.17995	5.0
229.19548	9.8
231.21140	9.3
243.20947	4.2
254.03174	3.2
257.22617	9.8
259.24121	4.7
266.03030	3.6
283.17398	8.9
284.17783	4.1
285.25833	8.9
410.30475	9.0
465.37173	12.3
483.38464	100.0
484.38385	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	483.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	20.3
57.07069	15.9
67.05493	29.7
69.07071	50.5
71.04990	20.3
71.08622	12.5
71.51554	10.4
71.86126	7.5
79.05484	24.3
81.07058	100.0
82.31561	6.8
83.08607	21.9
83.24803	6.9
87.12787	6.8
88.07649	12.5
89.06036	38.5
91.05481	17.2
91.56831	6.6
93.07041	57.4
95.08613	99.7
97.10180	9.9
99.04451	47.8
100.40673	6.8
105.07021	28.5
107.08604	62.3
109.10163	74.4
111.11642	11.2
117.06969	7.7
119.08607	36.1
121.10142	41.6
123.11697	23.7
131.08568	7.6
133.08644	15.0
133.10162	43.1
135.11681	46.4
137.13264	10.8
141.09093	28.7
145.10098	8.3
147.11664	28.7
149.13240	41.4
149.57335	6.7
151.14883	7.8
155.10626	10.9
159.11691	15.4
161.13254	18.7
163.14847	26.0
169.73306	6.6
173.13400	8.0
175.14780	21.5
177.11220	6.7
177.16472	11.8
189.16417	14.5
191.18010	8.3
203.17886	7.1
208.09093	7.3
217.19495	14.0
228.23236	14.8
231.21043	12.6
283.17569	11.1
284.17957	10.8
440.16159	7.4
483.42108	65.5
484.47327	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	484.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51951	0.8
54.88970	0.7
56.50051	0.7
56.96574	1.0
70.06573	0.8
72.08172	0.8
81.03407	1.2
84.08112	0.9
85.02901	1.7
91.05463	1.6
93.07044	1.4
97.02927	0.9
98.97556	1.3
103.05479	7.4
107.04973	2.9
110.07142	1.8
120.08112	100.0
121.08448	1.5
131.04948	3.4
137.05956	0.7
147.04402	1.4
149.05981	2.7
166.08646	48.2
167.07010	2.1
173.07460	0.7
177.05342	0.8
179.07025	0.8
188.69028	0.7
203.16521	0.7
227.09131	1.5
234.98999	1.4
362.75269	0.7
365.03851	0.8
383.04468	0.7
426.80771	0.8
435.24899	0.8
451.99835	0.8
478.74384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.3
55.99786	1.4
57.07078	28.6
67.05495	1.6
69.07060	2.4
70.06568	1.7
71.08633	31.0
73.06553	5.1
74.06064	2.0
81.07079	2.3
83.08615	3.0
85.10184	26.0
87.04464	4.3
89.06037	100.0
90.06364	1.6
99.11716	2.3
102.09184	2.0
105.07034	1.6
107.07089	1.5
117.09140	5.2
119.92889	1.3
128.39796	1.4
130.08643	2.7
133.08607	44.4
141.16371	4.3
151.65392	1.3
159.26064	1.3
177.11258	14.6
185.19023	5.5
200.20148	2.2
206.01343	1.7
221.13844	3.3
225.94817	1.6
228.23242	3.5
229.21664	6.3
273.24222	6.3
283.26324	3.7
311.29471	1.8
327.20218	6.9
423.32977	2.1
467.35690	11.7
484.18567	4.4
484.47342	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	484.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.2
55.05516	2.2
57.03929	0.3
57.07080	17.8
57.07345	0.6
58.06604	1.9
67.05505	2.9
67.77293	0.2
68.04995	0.3
69.07071	2.8
69.57485	1.5
70.06595	16.6
71.08635	8.7
72.08132	0.5
73.02926	2.1
73.28108	0.3
74.06056	0.3
77.18834	0.2
77.91280	0.2
78.76867	0.2
78.78810	0.2
79.05485	0.3
81.07063	3.3
83.08612	2.3
85.09739	0.3
85.10184	4.3
87.04461	0.4
88.07635	21.7
90.37598	0.2
91.93749	0.3
93.07013	0.3
95.08065	0.3
95.08614	3.8
97.10151	1.1
102.09185	15.9
106.08639	1.1
109.10158	1.5
111.11717	0.3
184.20647	0.5
200.20070	0.6
227.20090	0.7
228.23238	42.0
229.23666	0.4
246.24275	3.3
255.23204	12.8
256.26367	11.1
268.49545	0.3
274.27405	0.8
283.26321	45.8
284.26682	0.6
284.29587	0.5
311.29504	0.6
332.70853	0.3
433.84885	0.3
484.47275	100.0
485.47711	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.9
57.07081	15.0
57.38432	0.4
58.06593	1.9
67.05492	1.7
69.07061	3.0
70.06597	13.1
71.08633	7.4
71.29850	0.6
73.02906	1.4
81.07050	1.7
83.08618	1.9
84.06831	0.4
85.10188	3.2
88.07636	19.9
95.08610	2.6
96.61916	0.5
97.10160	1.1
102.09187	12.2
109.10145	0.8
123.11756	0.4
134.51164	0.4
158.57220	0.4
191.32498	0.4
200.20110	26.1
218.21136	2.9
228.23245	20.8
246.24283	1.6
255.23183	0.8
256.26462	0.8
283.26324	20.7
311.29474	23.8
312.29675	0.6
360.20349	0.5
435.50534	0.5
463.76929	0.4
484.47281	100.0
485.47656	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	485.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	15.0
55.05503	3.7
61.02924	6.9
67.05510	4.6
68.99788	13.0
69.03416	8.1
69.07085	4.2
69.47846	6.8
69.48250	16.5
70.06591	4.8
71.04996	4.0
73.02915	7.6
79.05510	2.9
81.03400	12.3
81.07065	4.5
83.04982	6.1
84.08109	4.9
85.02927	6.2
87.00832	18.6
91.05496	15.1
93.07081	3.5
95.04956	5.8
95.08617	6.4
97.02885	7.2
99.39528	2.6
105.07037	4.5
107.04962	66.1
107.08593	5.7
109.02876	10.1
109.69777	2.5
111.04430	8.8
114.69868	2.8
115.46935	2.7
119.04964	7.8
119.08608	5.4
122.84045	2.6
127.03922	11.8
129.01846	6.8
131.04900	3.9
133.06425	2.9
137.06004	4.5
145.02882	4.3
147.02866	2.9
151.07576	5.0
161.06003	45.7
163.07523	3.2
165.06979	3.0
167.07057	2.7
175.07497	4.5
179.08632	3.7
189.06882	2.7
195.08055	6.9
201.09154	2.7
202.07980	2.7
203.08653	3.9
205.10069	3.4
207.08023	4.5
208.08926	4.3
209.09659	5.3
211.07483	5.2
212.08269	7.2
213.09137	9.6
216.09357	3.3
217.10257	3.6
218.07213	4.9
218.63521	3.1
219.08122	8.5
221.09576	6.8
223.07538	10.2
225.09132	4.7
226.09888	6.8
227.07036	3.6
229.08601	4.0
231.08035	6.5
232.08929	9.8
233.05965	3.4
233.09598	10.9
234.10471	4.6
235.07478	16.6
236.08348	8.3
237.09280	15.9
238.09898	7.2
239.06879	14.6
239.10709	4.4
240.07765	7.0
241.08553	10.3
243.10141	8.0
245.09589	4.4
246.06671	3.3
247.07527	8.4
247.11281	6.8
248.08298	6.7
248.11942	5.8
249.09163	16.0
250.09911	11.3
251.07033	12.7
251.10698	17.6
252.07883	5.1
253.08575	20.7
254.09306	9.7
255.10217	10.1
257.07898	3.7
258.10428	3.1
259.07523	6.7
260.08121	3.8
261.09113	23.7
262.09860	8.9
263.07184	8.6
263.10626	13.4
264.07773	8.0
264.11453	11.5
265.08618	11.4
265.12225	15.7
266.09390	44.6
267.06525	7.8
267.10278	13.8
269.08109	31.8
269.11719	9.9
270.08957	7.4
271.07303	3.3
271.09772	26.2
272.07898	4.4
272.10483	43.1
273.11368	6.7
274.09857	8.4
275.07010	4.3
275.10654	18.9
276.07901	5.0
276.11453	13.1
277.08606	25.9
278.09348	15.4
279.10190	45.4
279.13776	17.8
280.07764	2.8
280.10977	8.1
281.08099	41.1
281.11682	14.8
282.08859	32.5
283.09692	23.9
285.11328	8.3
287.06989	4.0
289.08545	12.1
289.12076	7.0
290.09360	11.7
290.12708	5.5
291.10168	28.2
292.10907	25.4
293.08130	8.0
293.11685	53.4
294.08780	15.6
294.12421	8.6
295.09738	13.2
295.12915	3.1
296.10434	4.1
297.11227	34.6
299.09232	3.5
301.08847	3.0
302.09259	5.8
303.07025	2.9
303.10138	16.2
304.10916	18.3
305.08066	10.7
305.24808	3.1
306.08865	9.8
307.09607	21.7
307.13290	64.6
308.10370	7.1
309.11215	66.1
310.08252	7.1
310.11813	8.9
311.12793	19.0
314.09247	6.4
317.08353	7.1
317.11609	24.5
319.09723	23.9
320.10449	14.7
321.11191	35.4
322.11981	26.5
323.12750	9.7
325.10699	36.2
325.14398	18.0
330.08835	3.1
331.09598	5.9
332.10532	13.6
333.11011	4.7
335.12787	89.5
337.10840	14.8
337.14374	3.3
338.11478	11.1
339.12265	39.7
345.11377	16.0
347.08972	4.2
348.09906	7.4
349.10583	6.0
350.11362	8.9
351.12228	3.7
353.13824	50.6
363.12296	100.0
381.13351	90.8
399.14410	38.8
439.13980	8.1
467.13333	6.5
485.14313	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	485.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.6
57.03434	8.8
57.06874	2.7
57.07082	28.5
67.05508	4.2
67.25793	2.6
69.07063	7.9
71.08658	14.6
71.36119	3.6
71.36465	4.6
74.24310	2.6
81.07063	12.8
83.08613	4.5
85.10190	12.4
86.50407	2.7
92.43113	2.7
95.08637	12.0
96.20966	2.6
98.98492	11.7
103.76668	3.0
109.10188	5.0
133.10149	4.8
143.70642	2.8
145.86919	2.6
149.16647	2.7
155.01012	8.4
250.20128	3.7
313.27399	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
57.03431	3.9
57.07080	27.6
59.01568	1.8
60.97498	2.0
60.98034	1.8
67.05496	8.2
69.07060	7.4
71.08640	14.9
71.51907	3.0
81.07048	11.6
83.08617	5.1
85.10178	10.7
86.94798	2.0
91.05471	11.9
93.07035	4.7
95.08612	10.9
98.98460	19.7
105.07018	7.9
109.10201	4.7
117.52367	1.8
130.00502	1.8
133.10138	33.2
144.73277	1.9
155.01080	12.4
239.23703	2.5
253.82008	1.9
256.66534	2.4
274.71478	2.1
313.27383	100.0
314.27905	1.9
337.07816	1.9
342.12100	2.1
380.38864	2.4
449.26721	6.7
484.47388	4.4
485.35236	4.0
485.47620	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	485.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.8
55.01868	6.3
55.05513	28.7
57.03439	28.2
57.07062	8.0
61.02930	80.8
67.05513	41.1
69.03433	47.5
69.07071	42.8
70.88436	2.7
71.01340	7.5
71.04981	7.7
71.08622	7.8
71.51283	2.8
71.51685	3.5
73.02921	30.3
79.05496	34.8
81.03422	21.6
81.07062	100.0
81.12724	2.8
83.04977	7.7
83.08628	23.9
85.02907	79.9
85.06570	4.4
85.10172	3.8
87.04473	4.9
91.03965	50.1
91.05489	26.4
91.61244	2.4
93.07052	41.3
95.04974	6.7
95.08613	64.4
97.02299	4.0
97.02900	61.3
97.06506	7.3
97.10176	12.6
99.04459	12.5
99.08114	5.4
101.02386	9.4
103.03956	6.0
105.07033	31.3
107.08579	27.7
109.02863	8.9
109.06574	5.0
109.10164	27.2
111.08102	3.8
113.09597	3.6
115.03933	5.6
117.07023	6.6
119.08569	25.6
120.92649	2.5
121.10191	16.9
123.08100	6.5
123.11716	15.6
125.09642	3.1
127.03915	22.2
129.05449	7.7
131.08565	6.2
133.10109	17.7
135.11678	13.0
137.09596	8.8
137.13281	5.2
145.04944	6.3
145.10153	9.6
147.11687	18.7
149.13251	12.9
151.11217	7.0
151.14835	9.8
153.12701	6.2
155.08519	3.3
157.10147	4.6
159.11711	6.0
161.13303	14.1
163.14832	6.0
165.12779	5.0
171.11662	3.1
173.13231	3.7
175.14862	9.5
189.16391	4.5
211.14883	4.2
213.09334	2.7
225.37630	3.0
231.21066	28.9
249.22154	27.9
261.22064	4.8
274.75122	3.0
291.23135	4.5
303.22940	3.0
314.18839	2.7
315.23218	4.2
317.44952	3.0
323.25864	67.0
329.24765	2.8
339.23404	3.2
357.24466	5.5
365.26785	3.0
375.25269	4.2
431.27914	8.6
449.28998	3.5
457.19864	3.3
467.30304	6.3
485.30963	12.3
485.37155	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	485.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64369	3.5
53.03940	4.7
55.01882	4.2
55.05500	12.3
65.20482	3.4
67.05515	16.5
69.03423	6.2
69.07071	12.3
70.28954	9.9
71.04976	6.7
79.05489	27.9
81.07060	88.7
83.04975	5.0
83.08633	5.1
85.06554	7.1
91.05478	28.2
91.09446	3.6
93.07040	30.1
95.04996	6.7
95.08619	22.2
97.10174	4.3
98.20917	3.7
99.04459	9.8
101.05994	4.0
102.10794	3.3
105.07052	28.6
107.04966	4.8
107.08595	38.0
109.06519	35.4
109.10150	14.7
111.08089	5.9
111.32162	2.9
117.07021	13.6
119.08585	40.5
121.06553	5.7
121.10150	19.4
122.90513	3.2
123.08085	3.8
123.11672	6.4
129.07007	8.5
131.08591	21.5
133.06509	4.8
133.10127	32.8
135.08073	18.3
135.11667	5.9
141.06981	3.6
142.07806	5.2
143.08571	17.8
145.10170	22.9
145.37750	3.7
147.08015	6.5
147.11679	18.2
149.09651	26.7
155.08586	5.4
155.45793	3.9
157.10155	29.1
159.11697	15.1
161.05974	4.2
161.09648	24.6
161.13258	12.9
163.11174	5.9
169.10120	9.3
171.11696	17.4
173.09651	11.2
173.13264	12.7
175.11176	10.1
179.10629	5.0
181.10138	4.5
183.11681	14.0
185.09578	4.1
185.13274	22.4
187.11302	5.3
187.14812	6.8
191.10669	4.6
193.12248	13.1
195.11757	6.5
197.13326	3.7
199.11159	10.7
199.14864	9.1
201.12694	5.4
203.14319	7.6
205.12415	4.0
207.11798	5.4
209.13319	8.1
211.14861	7.0
215.14229	3.7
217.12167	9.1
219.13846	4.2
221.13351	5.2
221.15349	5.8
223.14825	4.5
225.16367	5.7
227.14325	6.5
231.17661	3.3
233.15302	7.9
235.14873	4.3
241.15707	4.8
243.17390	4.5
245.15358	9.9
245.19072	6.3
247.16956	13.3
256.95810	3.3
257.15335	4.0
267.17422	6.6
271.09644	5.7
283.16873	4.4
283.20224	3.6
287.20044	8.5
311.20197	4.1
325.21683	5.8
327.23074	4.4
335.19897	4.1
335.23694	7.8
353.21042	4.4
353.24728	4.0
367.26041	4.0
377.24771	9.5
395.25876	37.2
408.17078	6.4
413.26874	100.0
439.18942	5.9
449.30420	7.2
452.16116	4.2
457.18127	4.5
467.18607	7.1
467.31567	15.3
485.19376	29.9
485.32263	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	486.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01392	1.8
55.05497	3.9
56.25357	1.9
57.07080	20.3
67.05494	4.3
69.07056	7.8
71.08634	12.0
71.51432	2.6
81.07047	8.7
83.08606	4.2
85.10179	7.0
87.04479	13.3
93.07023	2.4
95.08610	7.2
97.10197	2.5
105.07085	1.8
107.08614	5.1
109.10162	5.9
111.11730	3.7
119.08587	3.5
121.06493	3.5
121.10134	3.5
131.08597	2.4
133.08540	1.9
135.08058	4.5
135.11722	1.8
137.05957	2.0
137.09637	9.4
138.09116	4.4
149.09612	14.1
159.11630	2.7
162.06706	2.4
163.07521	2.2
163.11205	19.2
164.08273	2.1
165.09129	100.0
173.13280	2.0
175.11150	4.4
176.08237	2.1
177.09119	9.1
177.12709	3.0
180.10284	2.9
189.12695	2.2
191.10643	10.0
199.10764	1.8
201.12628	2.4
205.12181	10.0
210.01262	2.0
215.14297	2.1
219.13870	3.8
245.96893	1.7
429.37265	60.6
430.37863	5.5
486.47958	4.9
495.61044	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37787	2.3
70.06544	3.5
71.10888	5.0
91.05452	2.8
118.06544	21.1
129.70930	2.4
132.08092	4.7
141.97751	2.5
143.07300	3.1
144.08073	8.3
146.06017	66.5
147.04355	2.9
159.09146	5.8
170.06030	4.7
188.07077	100.0
205.09727	39.2
227.17007	3.0
312.05341	3.0
393.98059	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	487.1756
Annotation	Marchantin K
Peak:m/z	Relative Intensity
53.03959	2.2
55.05526	2.7
56.07842	1.7
61.02926	4.6
67.05517	3.1
69.03446	2.5
69.07067	2.4
69.75196	9.4
71.05027	2.7
79.05510	4.0
81.07062	6.1
85.02927	5.6
89.26473	1.5
91.03994	2.4
91.05481	12.1
93.07081	1.8
95.08614	4.1
97.02887	4.1
97.10196	2.8
98.21435	2.3
104.90277	1.5
105.07034	2.2
109.06525	2.4
109.10176	2.5
115.05469	4.7
117.07029	4.6
119.08599	2.7
121.06512	20.7
123.08116	2.7
130.04163	2.2
133.06534	2.2
135.11697	2.8
137.06021	2.7
145.06483	8.1
146.07326	8.7
147.04401	5.0
147.08066	6.9
149.06000	2.2
149.09673	4.1
151.07559	45.7
160.05121	2.8
161.05977	5.2
162.06769	5.9
163.07590	7.5
171.56416	1.8
175.07565	21.0
177.09128	88.1
178.06284	4.2
193.08636	18.8
195.08089	1.8
203.07097	9.5
205.08646	55.3
222.06764	8.4
223.07552	3.3
224.08327	5.2
238.09969	4.8
239.10760	3.0
251.10622	2.4
251.23808	2.0
265.08667	7.4
267.10199	29.7
275.10770	3.0
291.10147	2.5
293.07947	8.5
303.10294	2.4
311.09183	3.8
320.11804	1.9
325.27435	4.9
335.10693	2.7
336.11490	3.1
337.12061	2.5
350.09280	4.2
351.10165	4.4
351.13873	2.9
352.10864	2.8
352.14679	2.3
355.13510	3.0
363.09943	2.8
364.11145	2.3
365.11667	6.9
366.12354	2.4
367.13425	5.0
368.10175	3.2
377.12027	3.5
378.08929	2.8
379.13586	4.4
380.10297	2.2
383.12927	2.8
384.17346	2.4
385.14511	2.4
393.11130	9.3
394.11874	4.4
395.12549	6.2
396.09897	3.5
397.14410	4.7
398.15244	4.4
399.16077	3.7
400.16830	5.6
405.11438	2.5
407.12830	4.0
408.13498	6.7
409.14413	8.1
410.15259	4.4
411.12097	4.9
412.16803	2.5
413.13489	4.9
413.17789	6.1
415.18973	27.7
421.10330	3.6
422.11835	2.5
423.11700	2.3
423.16754	2.2
425.17700	2.9
426.14642	7.2
436.13190	14.5
437.13919	12.5
438.14752	3.4
441.17007	60.0
442.17633	3.0
443.18600	24.9
451.15491	26.7
452.16251	2.0
454.13950	11.9
459.17847	8.1
469.16519	58.5
487.17535	100.0
487.28531	3.2
487.34436	2.6
488.18127	3.1
511.30685	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
61.02926	2.4
69.03431	27.7
69.16975	5.2
69.17408	4.4
70.06584	3.8
71.04981	2.3
72.08140	1.2
81.03426	24.7
83.01316	2.0
84.08121	1.9
85.02910	46.3
86.09681	2.1
91.05488	10.8
97.02893	37.3
99.04456	13.9
107.04901	1.1
109.02885	100.0
115.03911	1.3
115.05451	1.7
117.07037	2.4
127.03922	64.0
137.05899	1.3
139.03915	5.7
145.04968	10.6
145.06511	4.6
157.49747	1.0
161.05995	8.9
169.04987	20.0
171.04518	1.3
179.07054	4.7
187.06026	48.7
189.05475	3.7
207.06577	1.8
229.07074	12.4
247.08124	15.3
343.26956	1.1
425.91751	1.1
488.17615	1.2
495.07559	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.0
55.05523	7.9
69.03432	9.6
69.07061	13.4
70.06596	58.0
71.04973	6.8
71.06852	4.9
71.50911	5.8
72.04518	12.7
72.08159	43.5
73.02923	8.8
79.05515	4.8
81.03407	15.0
84.04528	22.8
84.08150	47.0
85.02898	19.8
85.06562	5.9
86.09220	8.0
86.09712	100.0
90.05554	21.3
93.59035	4.9
97.02877	12.2
98.02431	6.1
101.07181	5.8
102.05579	7.3
104.10756	4.9
107.04958	7.5
109.02898	13.0
110.07198	6.0
112.08760	6.5
112.62891	5.6
116.03466	9.2
116.07028	5.2
120.08115	7.9
124.07608	13.6
127.03986	9.4
128.07159	4.0
129.10226	25.0
132.10201	7.1
137.05975	7.2
142.08664	5.9
143.00516	4.6
155.90144	4.8
163.03944	7.3
164.04337	6.1
179.03503	7.8
180.03830	5.9
183.11423	5.9
184.09680	17.3
197.12822	5.4
199.89917	4.7
202.10748	52.8
211.09663	6.7
218.60344	4.6
220.11819	15.8
234.09673	4.7
243.13562	9.7
246.14584	4.9
289.17819	4.9
310.12878	8.8
328.13962	57.2
334.18732	6.2
346.15045	10.1
364.16043	39.3
437.10312	5.2
458.87540	5.8
458.93494	5.6
488.31296	8.2
489.18939	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	488.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81576	0.8
57.03436	6.0
59.05005	100.0
69.02438	0.8
69.03424	1.6
70.06591	2.3
71.05008	0.8
71.50924	1.0
76.40130	0.7
84.08150	1.0
85.02891	3.4
86.09707	2.2
88.88074	0.8
97.02881	1.2
101.09652	1.9
105.03637	0.8
109.02853	1.0
117.09140	34.8
122.97731	0.8
123.08087	0.8
127.03931	1.0
129.10281	1.0
145.04944	0.9
147.04395	1.2
167.45424	0.8
175.13315	13.6
187.23099	0.7
193.14362	3.2
233.17459	2.6
251.18567	1.6
280.76297	0.8
309.22733	32.4
450.79706	0.9
488.06473	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.05511	23.0
56.71169	2.1
57.07076	5.8
57.07658	2.4
59.04990	6.1
59.38626	1.9
66.22878	2.0
67.05505	9.7
69.07055	5.4
71.04997	17.2
79.05500	36.9
81.07061	14.8
83.04989	12.8
83.08621	3.8
87.04465	3.1
91.05486	24.7
93.07057	25.1
95.04989	3.2
95.08612	12.4
97.06530	6.4
99.04464	92.1
101.06017	16.4
105.07034	75.4
107.08577	12.9
109.10140	6.7
117.07046	5.1
119.04944	4.5
119.08586	43.0
121.10167	5.9
123.07984	2.2
123.11733	2.8
131.08586	9.5
133.10138	100.0
135.11716	3.5
142.07852	10.0
145.10086	6.0
147.08029	3.0
147.11682	26.3
149.13278	2.6
151.07495	2.3
151.11189	2.0
157.10109	17.6
159.11699	3.8
175.11198	42.2
175.14763	2.0
193.12245	59.0
213.40033	2.3
335.88831	2.3
349.21997	2.6
453.35843	3.7
488.34116	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	489.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82186	0.6
56.72311	0.6
62.42424	0.6
65.03928	1.3
66.04713	1.6
66.40269	0.7
67.05495	2.3
71.51199	0.7
77.03911	0.7
79.05497	4.7
81.07061	4.4
91.05479	5.6
93.07036	1.9
94.04184	4.9
94.91093	0.6
95.04971	1.1
95.08594	2.2
97.06559	0.9
103.05469	1.9
105.07031	9.2
107.04961	24.6
107.08605	1.6
109.06512	2.6
109.10143	1.4
115.05463	3.2
117.03304	0.7
119.04961	2.7
119.08581	0.8
121.06489	0.9
121.10184	0.9
122.03639	8.9
128.06227	2.4
131.04962	1.3
131.08577	0.8
133.06488	5.5
135.11717	1.2
137.05986	100.0
138.06320	0.8
141.07011	0.8
145.06514	1.4
146.03632	3.6
147.04411	10.0
149.05992	1.6
156.05750	1.3
159.08025	1.1
161.05995	34.9
165.05481	1.9
165.07007	0.8
168.05725	1.1
171.07988	1.8
175.07529	0.8
184.05241	2.8
187.07553	2.5
191.08601	2.2
192.09267	0.8
199.07558	20.2
201.09189	1.2
202.07784	11.2
203.08569	18.3
204.09351	1.5
205.06480	1.6
215.08589	1.7
217.10345	0.9
219.08060	5.8
220.08792	5.8
230.07298	2.2
231.08055	22.5
232.08826	6.1
233.05986	1.2
233.09651	1.4
235.11113	1.2
237.09207	1.2
245.09682	1.0
247.07573	4.0
248.08344	15.4
249.09109	2.1
258.06738	1.0
259.07565	16.7
260.08356	6.7
262.09906	2.4
263.10699	14.3
265.08563	1.7
273.09131	0.8
275.07040	1.9
276.07840	9.9
277.08627	6.3
279.10129	1.0
280.10757	0.7
290.72720	0.7
291.10172	58.3
292.10849	5.7
293.08163	5.4
295.09879	1.5
295.13287	2.6
307.09793	1.0
308.10370	3.4
323.12802	39.9
325.23578	1.9
358.52121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
67.58073	1.3
71.12119	2.1
73.40335	1.2
79.05486	4.5
81.07051	1.4
91.05476	5.3
93.07014	2.8
94.04183	3.7
95.04955	2.1
103.05450	3.7
105.07043	13.9
105.32729	1.3
107.04958	78.7
109.10188	1.4
115.05442	4.7
117.03292	1.5
121.06533	3.8
122.03646	6.6
128.06206	4.3
131.04886	2.7
133.06506	8.3
137.05974	71.3
139.05354	1.8
141.07002	1.9
145.06487	3.5
146.03638	3.3
147.04376	5.6
148.53447	1.3
149.05949	4.8
151.07489	2.2
159.07977	1.7
161.05983	30.2
167.04962	1.4
168.05679	4.1
171.08006	2.1
175.07535	4.4
177.05467	3.3
179.06998	1.3
184.05176	3.9
185.05951	3.7
186.06815	1.6
187.07565	2.1
191.08524	2.9
199.07532	32.9
201.09079	2.0
202.07745	10.9
203.08524	15.2
205.06555	2.2
219.07997	7.2
220.08882	5.4
230.07179	2.3
231.08057	35.2
232.08771	4.1
235.07558	2.2
235.11154	2.7
237.09123	4.7
245.09695	1.5
247.07535	7.3
248.08360	18.7
249.08948	3.9
258.06705	3.0
259.07562	25.9
260.08356	8.0
262.09897	2.2
263.10681	18.4
265.08646	5.6
276.07834	14.0
277.08582	4.6
279.10248	2.6
280.10898	1.9
291.10144	76.0
292.10880	7.3
293.08035	6.0
295.13199	2.8
307.09479	1.8
308.10385	12.5
311.12915	1.7
323.12790	100.0
324.13037	3.0
341.13770	2.4
341.97180	1.4
489.19168	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	0.9
53.03943	1.4
55.05499	1.0
61.60288	0.6
67.05500	1.2
69.03447	1.1
69.07054	0.8
70.06590	1.3
70.31522	1.9
70.31931	1.6
71.04989	0.9
72.08170	0.9
79.05479	3.4
81.03400	1.1
81.07038	2.4
85.02896	0.7
91.05478	5.0
93.07056	2.5
94.04192	1.8
95.04964	3.2
95.08592	2.6
103.05468	3.1
105.07034	4.3
107.04960	92.1
107.08601	1.6
109.06527	2.2
109.10159	1.7
114.22945	0.8
115.05465	1.6
117.07008	0.8
119.04965	2.5
119.08572	1.3
121.06508	4.9
121.10116	2.1
122.03677	4.1
123.04382	1.3
123.48813	0.7
127.03926	0.8
128.06190	0.9
129.06996	1.6
131.04941	3.8
131.08545	1.3
133.06517	2.7
133.10139	1.5
135.08040	1.5
137.05983	47.4
137.09523	1.0
143.08548	1.2
145.06508	0.8
145.10120	1.5
146.03687	1.6
147.04457	4.5
147.11642	0.9
149.05998	2.4
151.07527	2.8
153.05482	0.9
153.07117	0.8
157.06490	1.0
157.10106	1.3
159.11705	1.0
161.05989	8.5
161.09579	0.8
163.07550	1.3
163.11182	1.0
165.07059	1.0
167.07063	1.9
169.06477	1.0
171.08095	1.4
175.03915	1.4
175.07498	1.6
177.05527	1.1
183.11597	0.9
187.07541	1.9
191.08594	1.4
194.07411	0.8
199.07547	6.8
201.09109	7.9
202.07802	5.6
203.08586	13.5
204.09364	0.9
205.06494	2.1
206.07422	0.9
211.07565	1.1
215.08693	1.1
219.08109	4.5
220.08859	5.5
221.07898	1.1
225.09171	1.3
230.07219	1.6
231.08061	21.5
232.08813	6.8
233.05966	1.9
233.09558	0.9
235.07445	1.1
235.11273	1.1
237.09201	2.1
245.09647	0.9
247.07643	3.7
248.08310	20.7
249.09106	3.4
250.06221	2.0
259.07504	8.4
260.08328	5.4
261.09143	1.7
262.06339	0.8
262.09869	1.8
263.10687	19.3
263.13312	1.5
264.07864	0.7
265.08542	4.5
270.29865	0.7
275.06998	2.0
276.07809	13.4
277.08569	7.8
278.05945	1.0
280.11044	2.3
281.08316	0.9
290.09470	1.6
291.10153	51.6
292.10895	6.6
293.08099	14.5
293.11478	1.4
305.11823	1.3
307.09506	2.0
308.10486	5.2
323.12784	100.0
324.13211	1.3
325.14398	7.2
347.12787	0.8
393.23575	0.9
489.18167	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	489.3578
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.02378	1.5
53.03950	4.6
55.01880	1.7
55.05517	18.2
57.03437	4.1
57.07061	2.9
57.78033	1.2
59.04994	2.4
60.18937	1.1
61.05593	1.1
65.03951	4.1
66.92170	1.0
67.05510	100.0
68.05847	1.2
69.03413	1.2
69.07074	15.7
69.69487	1.2
71.04993	3.6
71.51089	1.3
79.05499	38.7
81.07060	45.0
83.04951	1.5
83.08619	10.9
85.06561	2.7
86.52850	1.1
91.04908	1.5
91.05486	30.0
91.06025	2.3
93.07050	41.7
95.04971	3.4
95.08611	30.3
95.09173	2.1
97.06528	3.2
97.10181	3.5
99.08096	1.6
104.15282	1.1
105.04555	1.1
105.07035	26.6
107.08598	22.6
107.09307	1.6
109.06506	1.6
109.10167	57.3
111.08112	4.2
117.07023	10.7
119.08596	27.3
121.06488	1.2
121.10155	17.4
123.08061	2.1
123.11695	2.9
125.09615	3.0
129.06993	5.3
131.08572	17.6
133.10118	15.4
135.08125	1.3
135.11684	10.3
137.09615	3.6
139.11191	1.9
141.07033	1.2
143.08569	4.9
145.10144	15.3
147.11693	12.9
149.09639	1.7
149.13287	6.4
155.08577	1.4
155.10722	3.1
157.10173	6.1
159.11705	12.3
161.13283	7.7
169.10146	3.4
171.11769	5.9
173.11775	15.1
173.13306	9.4
175.14880	3.9
175.99095	1.1
183.11768	2.9
185.13297	4.2
187.14882	5.4
197.13307	2.7
199.14835	3.1
201.16476	3.0
209.13245	1.3
211.14935	1.7
217.16008	1.5
253.19456	1.3
259.20627	2.1
261.22256	5.9
269.22678	1.4
271.20544	2.2
285.22369	3.0
299.23715	2.0
379.29843	7.2
391.27930	1.4
397.31064	11.9
415.32111	3.7
433.33459	1.3
435.32578	1.2
471.34665	11.7
489.35812	98.2
490.35944	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	489.358
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03947	3.5
55.01884	1.8
55.05515	20.1
57.03441	4.8
57.07071	3.0
58.46751	1.2
59.05006	1.9
65.03945	4.1
67.05511	72.6
69.07069	12.4
70.59647	4.0
71.04996	3.3
79.05496	32.3
81.07063	43.2
81.46730	1.1
83.04970	1.9
83.08640	9.0
85.06529	2.4
91.05483	28.7
93.07048	35.8
95.04981	3.5
95.08619	28.2
97.06546	4.4
97.10190	4.1
99.08114	1.9
105.04523	1.3
105.07036	29.7
107.04989	1.6
107.08596	20.0
109.06561	1.9
109.10161	41.2
111.08088	1.5
117.07035	8.9
119.08584	26.2
121.10149	18.7
123.08059	2.2
123.11728	3.0
125.09641	1.4
128.06230	1.3
129.07042	4.0
131.08571	16.9
133.10149	15.9
135.11673	11.0
137.09627	2.6
139.11238	3.6
141.06987	1.8
143.08571	6.1
145.10138	18.7
147.11702	16.2
149.13304	3.4
155.08568	3.2
157.10170	6.7
159.11699	14.6
161.13261	8.4
167.82011	1.3
169.10126	2.5
171.11740	5.1
171.82791	1.3
173.11781	6.9
173.13313	8.4
175.14839	3.3
182.97954	1.3
183.11678	2.8
185.13345	4.4
187.14793	6.0
197.13338	3.2
199.14870	5.0
201.16425	2.1
203.18016	1.6
211.14853	1.8
213.14766	2.4
213.16615	2.5
215.18207	1.4
220.45473	1.3
239.18279	1.5
241.19731	1.5
253.19621	1.3
259.20721	1.3
261.22244	5.0
273.22260	1.4
275.20230	1.3
285.22220	2.8
289.21765	1.6
297.22049	1.4
299.23846	2.2
303.23300	2.2
317.24945	2.0
363.25427	2.4
377.26910	2.3
379.30032	10.1
397.31061	14.6
415.32190	4.7
422.28534	1.2
433.33408	1.5
471.34723	14.6
489.35840	100.0
490.36499	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	489.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53155	3.8
55.05523	20.2
57.07084	6.3
65.03969	3.8
67.05508	39.1
69.03388	3.4
69.07085	21.9
69.77133	19.8
71.04996	5.9
79.05505	30.9
81.07064	100.0
83.08616	6.4
86.19211	3.7
91.05480	27.6
93.07052	59.2
94.61404	3.9
95.04967	5.2
95.08614	74.3
97.06532	10.6
97.10210	7.7
98.20822	4.0
98.21368	7.6
105.07043	51.4
107.08601	54.4
109.10174	36.2
117.07024	7.7
119.08595	59.4
121.10162	40.5
123.11715	21.2
125.09679	3.4
129.06996	6.5
131.08598	20.3
133.10127	34.1
135.11714	25.7
137.13243	4.9
143.08586	8.9
145.10150	35.7
147.11693	29.6
149.13292	18.0
151.07573	4.3
155.08545	6.4
157.10121	19.0
159.11711	38.1
161.13249	19.4
163.14809	10.3
169.10112	6.8
171.11678	16.7
173.13255	26.5
175.14871	11.4
177.16328	3.2
185.13281	12.5
187.13251	4.8
187.14751	19.5
189.16376	7.3
191.14354	5.4
191.17896	4.7
197.13290	8.6
199.14909	11.1
201.16406	13.7
203.17923	7.1
209.13345	3.9
211.14850	6.0
213.16396	16.9
215.17989	12.1
217.19568	4.2
223.14850	5.9
225.16434	10.8
227.18010	5.6
229.19521	6.6
239.17982	5.1
241.19511	7.6
251.17844	3.9
253.19299	4.8
255.20985	6.8
267.21182	3.9
269.22794	7.4
281.22586	4.1
283.24185	4.5
295.24561	3.7
325.28690	5.6
466.20065	3.8
489.29547	6.7
489.35223	6.0
489.41025	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.2
55.05485	1.4
57.03439	10.8
59.04990	1.9
69.03425	5.8
69.48833	8.5
70.06572	2.7
71.04996	64.5
71.19251	1.1
73.02915	2.8
75.04486	7.2
81.03416	3.3
83.04989	8.8
85.02906	100.0
86.09708	1.7
87.04474	2.2
91.05470	1.7
97.02911	8.2
99.04430	3.0
101.06023	2.0
105.01864	1.6
105.07060	2.3
109.02850	2.3
111.00780	1.2
111.04426	5.1
123.08072	13.8
124.05193	2.7
127.03916	6.8
129.05490	35.4
137.05988	3.8
145.04968	5.3
146.08105	1.5
147.06522	18.4
164.09154	3.4
165.09093	2.6
179.39583	1.3
180.08749	2.2
225.14928	5.3
231.04976	2.3
233.35718	1.0
255.08653	1.5
287.05496	8.0
464.45135	1.3
516.77716	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82999	2.0
53.03941	2.6
55.05516	24.8
55.50433	2.1
58.98736	2.1
59.04990	6.0
67.05505	9.8
69.07068	7.1
71.04996	18.4
71.25069	4.3
79.05489	28.0
81.07053	18.1
83.04980	10.4
91.05476	24.5
91.55019	2.3
93.07056	24.9
95.04971	3.4
95.08601	7.3
97.06514	5.1
99.04465	93.1
101.06012	18.1
105.07039	66.0
107.08592	9.6
108.71513	2.4
109.10136	4.1
119.04981	4.9
119.08595	35.6
121.06630	2.5
121.10144	4.8
129.07010	3.8
131.08601	11.6
133.10138	100.0
142.07803	14.7
145.10112	4.4
147.08064	3.7
147.11693	29.5
151.11151	2.8
157.10127	18.6
159.11711	2.6
173.13297	2.7
175.11195	40.3
193.12256	53.8
256.83966	2.8
257.58066	2.4
490.41150	2.9
491.30026	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	491.1187
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03951	2.8
55.01858	0.6
57.03424	0.7
61.02909	0.6
67.01856	0.2
68.99795	0.7
69.03430	8.0
69.73493	0.9
69.73901	0.4
70.06586	0.2
71.04971	0.7
73.02919	1.0
81.03421	11.2
85.02438	0.3
85.02911	4.4
88.36693	0.2
97.02891	4.7
99.04469	1.8
99.42185	0.2
103.03947	0.2
105.03380	0.4
107.04951	0.4
109.02883	7.0
111.00816	0.8
115.03951	0.2
121.02876	2.2
127.03922	6.1
133.02859	0.5
133.05003	0.2
133.99506	0.2
137.02353	0.7
137.06076	0.2
137.79692	0.2
145.04951	0.8
145.06551	0.3
147.04356	0.5
153.01831	4.3
157.06480	0.3
161.05989	0.3
165.01846	1.9
183.02901	1.0
185.05991	0.6
187.06018	5.7
189.96417	0.2
213.05490	1.6
231.06509	0.7
241.04933	1.0
258.05264	1.2
259.06177	0.4
287.05502	100.0
288.05820	2.6
329.06384	0.4
371.85641	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1186
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
53.03956	3.6
59.47097	1.9
61.02927	3.1
69.03437	32.7
69.20797	16.4
69.21212	4.1
76.05669	1.9
78.63586	2.1
81.03404	12.3
83.01349	2.8
84.61309	2.0
85.02910	38.6
89.47851	2.1
97.02900	36.0
98.21500	4.7
99.04467	10.1
109.02135	4.3
109.02886	79.7
121.02898	4.0
127.03931	52.0
139.03903	4.5
145.04936	13.2
153.01843	3.0
169.04941	11.2
187.05933	11.1
205.07178	9.7
287.05527	100.0
288.05798	5.0
330.48129	2.2
389.50211	2.0
444.76294	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.6
57.07063	4.5
62.88472	1.4
65.03947	1.9
67.05511	17.8
69.03422	5.5
69.07066	18.9
71.04982	1.5
71.51285	1.7
79.05500	13.8
81.07059	20.4
83.04980	6.0
83.08612	6.9
85.06547	3.4
91.05487	21.7
93.07048	38.1
95.04956	5.6
95.08611	26.4
97.06548	8.1
103.05465	1.9
105.04593	1.9
105.07035	37.9
107.04965	2.2
107.08600	33.8
109.06505	7.7
109.10158	22.8
111.08079	2.5
111.11700	2.2
113.09628	2.8
115.05428	2.8
117.06993	8.1
119.08575	47.8
121.06487	2.9
121.10146	50.1
123.08047	4.8
123.11704	5.3
125.09618	2.5
128.06232	2.9
129.07008	7.1
130.07774	2.6
131.08559	17.6
133.06496	3.5
133.07472	1.4
133.10135	32.9
135.08080	7.2
135.11679	10.5
137.09595	4.6
139.11185	3.4
141.07031	3.6
142.07813	7.3
143.08551	14.8
144.09354	3.2
145.10132	26.5
147.08015	4.1
147.11670	15.2
149.09639	13.5
149.13272	2.4
151.07536	4.4
153.06964	2.8
155.08549	6.5
155.10645	2.7
156.09329	8.2
157.10138	24.8
158.10902	4.9
159.08058	5.4
159.11696	14.4
161.09645	4.7
161.13268	3.8
163.11145	4.0
165.06999	4.0
165.09103	2.8
167.08548	4.7
167.10690	59.7
168.09328	5.9
168.10683	1.7
169.10109	13.6
170.10858	3.6
171.11690	24.4
172.12427	2.4
173.09621	3.3
173.13281	16.0
175.11224	2.9
175.14815	16.6
177.09000	1.7
177.23679	1.5
179.08594	4.1
180.09348	2.0
181.10115	5.2
181.12317	2.5
182.10930	5.0
183.11694	21.0
184.12413	4.1
185.09708	2.4
185.13249	10.1
187.11166	4.4
187.14799	8.9
189.12773	5.4
191.14355	6.3
193.10164	4.2
194.10817	3.3
195.11707	12.2
196.12434	4.2
197.13268	12.6
199.11150	3.9
199.14795	5.9
201.12819	2.4
201.16370	2.7
203.14268	2.3
205.15871	2.6
206.10907	2.0
207.11688	7.7
207.13608	2.5
208.12471	3.6
209.13264	11.1
210.14124	3.1
211.11116	3.3
211.14769	8.9
213.12729	3.0
213.16415	4.0
215.14288	5.7
217.10208	1.6
219.11674	2.9
220.12483	2.4
221.13258	6.7
221.15364	5.3
223.14792	7.8
225.12762	2.7
225.16356	5.5
227.14224	3.6
227.17998	1.7
228.18892	1.8
232.12560	2.6
233.13312	3.4
233.15358	18.0
235.14793	6.1
236.15575	2.4
237.16284	4.9
239.14240	3.0
239.17970	5.5
245.19043	3.1
247.14771	3.0
247.16995	2.9
249.16425	5.1
251.14377	1.7
251.18034	4.5
253.19519	4.7
255.17319	2.3
257.19000	16.9
259.16971	2.9
261.16272	3.1
263.17996	2.6
265.15717	1.6
265.19446	3.5
269.19022	2.9
271.20480	4.6
273.18610	14.0
275.17917	2.0
277.19366	2.1
281.19046	2.4
283.20502	8.4
285.18594	3.7
289.19269	2.5
291.21069	2.6
292.88791	1.7
299.20178	4.0
303.20975	1.6
309.21991	4.3
311.23529	2.1
323.23468	1.8
325.21545	1.9
335.23889	3.1
351.22839	1.7
407.29892	1.8
433.31238	2.8
455.33099	2.2
473.34308	14.6
491.35455	100.0
492.35428	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	491.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
53.84690	3.0
55.05519	19.6
59.05016	3.3
65.03935	5.5
67.05508	58.8
69.03453	3.0
69.07073	15.4
71.04985	9.3
71.13010	6.7
79.05500	28.8
81.07064	69.2
83.04973	3.1
83.08638	8.0
85.06542	9.3
91.05484	30.4
93.07054	63.8
95.04967	7.5
95.08617	58.2
97.06554	8.0
97.10155	6.2
105.07037	52.7
107.08608	51.2
109.06508	15.0
109.10163	45.0
111.08086	6.7
117.07037	10.1
119.08587	52.0
121.06554	3.7
121.10166	37.8
123.08086	7.2
123.11711	10.6
128.06241	3.4
129.06982	4.1
131.08565	21.4
133.10147	38.0
135.08034	5.7
135.11703	28.6
137.09602	7.5
142.07779	5.3
143.08586	9.7
145.10120	32.6
147.11729	22.9
149.09677	8.1
149.13264	20.5
151.07520	3.5
155.08546	5.2
155.10619	3.6
156.09355	6.4
157.10161	19.7
158.10861	4.2
159.07979	2.9
159.11711	38.8
161.09608	3.1
161.13237	19.2
163.11209	3.7
163.14804	8.7
165.09132	7.5
169.10138	6.9
171.11699	12.0
173.11832	7.0
173.13281	14.7
175.14827	14.9
177.12753	7.3
181.10147	4.9
183.11710	11.7
185.13280	10.2
187.14865	10.9
189.12802	5.2
189.16376	7.5
192.89319	3.1
195.11708	4.7
197.13254	10.7
199.14796	8.0
201.16383	9.0
203.14371	5.7
203.18042	4.7
209.13304	6.0
211.11272	3.2
211.14935	6.0
213.16411	7.6
215.18054	5.6
217.19475	5.1
221.15390	9.4
223.14934	5.3
225.16344	6.3
239.17830	3.6
255.21083	4.2
257.22437	3.6
265.19443	3.2
267.21356	3.5
269.22366	3.9
271.24182	4.3
281.22644	3.0
283.20398	4.7
285.28668	4.0
385.27341	3.8
491.29721	100.0
491.35739	73.6
492.30783	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	491.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.5
55.05508	15.2
57.07084	5.3
67.05505	27.5
69.07079	21.7
71.51389	3.1
79.05483	14.7
81.07056	75.8
83.08627	9.0
91.05486	17.4
93.07053	47.0
95.05048	2.8
95.08617	67.0
97.06527	6.0
97.10199	8.2
105.07037	27.0
106.23459	3.0
107.08606	42.1
109.10161	40.9
117.07004	4.0
119.08582	38.1
121.10151	32.4
123.11705	21.0
125.09727	3.6
131.08609	12.1
133.10097	22.3
135.11725	23.4
142.07851	2.9
143.08537	3.9
145.10121	21.0
147.11693	23.5
149.13257	26.6
157.10179	3.5
159.11699	19.8
161.13252	21.1
163.14857	15.9
171.11711	5.2
173.13338	18.5
175.14839	19.8
177.16530	7.1
185.13342	4.5
187.14903	8.9
189.16429	9.2
199.14894	6.1
201.16476	7.4
203.17908	13.9
213.16484	5.4
215.18013	7.6
217.19620	12.0
229.19455	4.7
231.21175	5.8
255.34293	3.3
257.22739	3.7
259.24252	4.8
285.25967	3.8
370.85965	3.1
381.31540	3.2
399.32617	4.4
473.41733	6.4
491.30170	100.0
491.36414	4.4
491.42584	43.6
492.30933	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	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01871	2.4
55.05516	14.7
57.03423	2.8
59.92554	1.4
61.02934	1.9
66.57720	1.3
67.05499	1.9
69.03436	14.2
69.07068	2.6
70.06598	34.1
70.72971	2.5
70.73359	3.0
71.04995	6.5
71.06895	1.8
72.08162	26.6
73.02912	1.2
77.58379	1.4
79.05495	4.0
81.03430	14.2
81.07053	4.8
83.04994	9.7
83.08625	9.6
84.04542	2.4
84.08152	10.8
85.02914	34.0
85.06512	1.8
86.09714	16.9
87.00838	7.8
91.05474	11.1
93.07046	3.1
95.04980	52.1
95.08630	2.3
97.02906	12.4
97.06534	2.1
97.10140	1.5
99.04469	15.8
103.03929	2.7
103.05438	1.6
103.16811	1.2
104.55668	1.4
105.01862	5.0
105.07030	4.3
107.04941	4.6
107.08626	6.5
109.02895	12.9
109.06519	3.6
109.10165	10.4
110.07185	4.2
119.04926	2.3
119.08580	3.9
120.08115	6.2
121.02885	10.5
121.10151	5.2
123.04480	1.6
123.08073	1.5
123.11693	4.3
125.07140	2.0
125.09619	3.0
127.03938	22.3
129.10254	6.3
130.10646	1.3
132.10225	2.7
133.10141	9.5
134.06013	2.6
136.07585	2.8
137.05983	4.7
138.06348	1.7
145.04990	7.1
145.10175	1.9
147.04436	1.9
147.11732	2.0
149.13284	2.0
151.03883	2.6
151.07529	4.1
151.11188	19.6
153.09119	19.5
155.08177	2.9
159.02986	3.2
159.11304	2.2
161.05988	2.1
162.05496	1.5
163.03946	2.6
167.07016	1.9
167.14316	17.1
169.04987	1.5
173.13266	4.2
175.14850	3.9
176.10635	1.5
177.01875	3.1
187.06039	3.4
187.46152	1.5
191.06990	1.7
191.14317	4.0
195.02954	5.1
205.07103	8.8
209.15385	100.0
210.15681	1.4
217.08546	1.3
227.16454	1.9
231.04999	1.5
233.41635	1.4
259.10941	1.8
300.05917	2.3
301.06949	1.8
312.05911	2.2
313.06912	3.2
330.06906	4.7
339.03406	1.3
394.20926	1.6
429.33252	1.6
492.12228	3.3
492.18939	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42071	10.5
54.73767	9.9
55.05502	9.6
67.05508	26.5
69.07059	19.5
69.25761	18.7
69.26161	91.1
72.08160	9.8
79.05482	24.6
81.07059	39.0
83.08614	16.3
86.09718	13.4
91.05473	13.6
93.07045	25.9
95.08612	44.3
97.06544	12.5
97.24377	11.9
104.10750	15.6
105.07033	32.6
107.08616	62.8
109.06533	13.7
109.10153	39.7
111.08118	14.3
112.98583	9.5
119.08566	40.2
120.08129	25.9
121.10145	16.1
131.08519	10.9
133.10115	24.2
135.11690	34.5
145.10132	20.0
147.11665	41.1
149.13242	13.4
159.11717	17.6
165.12772	33.9
171.11652	17.7
184.07347	15.6
187.14774	11.4
193.12354	11.2
201.16376	20.0
203.18015	17.3
213.16330	12.8
225.16466	12.1
249.18523	22.7
251.11066	9.1
269.22568	14.5
403.33444	33.3
421.34702	73.8
439.35608	20.3
457.36801	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79149	0.6
55.15223	0.7
67.69674	0.5
70.06662	1.7
70.07068	1.4
91.04788	0.7
98.20798	0.6
115.05477	0.8
148.18520	0.7
157.06525	0.9
161.06007	1.0
168.05704	0.9
171.04381	6.0
171.05669	1.2
181.06569	0.7
185.05981	3.8
187.07611	0.8
211.07501	0.7
211.22050	0.7
213.05446	3.5
223.44849	0.8
224.04713	2.4
224.08423	1.9
241.04961	2.5
247.03830	1.0
252.04265	0.9
253.04984	0.8
267.06528	9.7
282.05203	1.1
290.05814	3.1
291.06607	1.0
306.10583	0.8
307.02893	0.8
307.05939	3.2
316.08823	0.8
317.09451	0.9
333.09048	1.6
334.09869	2.1
335.10471	0.9
344.08209	1.7
345.09302	3.5
346.09476	0.8
346.31860	0.7
359.10666	1.3
361.08594	5.5
362.09351	2.0
363.10361	2.0
364.84012	0.7
372.07950	3.1
373.08759	4.1
374.09442	1.9
375.10272	1.1
376.10837	2.5
377.11890	2.7
387.10175	1.9
388.10971	2.0
389.07834	4.2
390.08932	5.0
391.09637	2.9
399.10065	1.1
400.07343	6.1
401.08109	1.2
402.08823	1.6
403.09650	2.1
404.10690	4.3
405.11377	4.2
406.11984	1.2
407.09177	1.2
409.10916	1.1
415.09726	7.6
416.10474	4.0
417.07617	2.4
417.12128	1.3
418.08423	5.8
419.08502	3.2
422.12048	1.0
429.07440	1.0
431.08969	1.2
432.09952	10.2
433.10760	11.6
434.11609	8.4
435.08609	1.0
437.14120	1.7
443.09097	11.2
444.09891	2.7
445.10843	4.5
446.08026	2.4
447.12442	14.6
450.10828	1.4
460.09399	2.8
461.10220	27.6
461.82181	0.8
462.10983	21.5
463.11755	2.3
465.13297	10.5
475.11841	21.5
476.12512	1.0
477.09314	1.1
478.10529	1.0
493.12863	100.0
494.12991	3.1
519.63367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	10.6
57.03432	6.9
67.40544	4.7
69.18092	50.0
69.18496	7.8
80.12213	5.9
85.02905	24.0
85.45319	5.2
97.02892	9.9
103.03973	5.3
109.02895	13.0
119.04951	8.4
121.02888	16.5
123.04431	7.1
127.03948	5.7
135.04477	6.6
137.05948	8.6
147.04424	8.7
151.03882	8.0
157.06447	7.3
159.04456	8.3
161.05890	7.4
163.03896	19.3
171.04436	11.6
175.03894	30.0
177.05469	19.7
181.04953	31.0
181.06459	9.1
185.05899	11.2
186.34219	5.4
187.03960	23.4
189.05518	21.2
193.04970	37.2
197.06052	7.7
199.03981	8.6
201.01817	8.0
201.05463	26.5
203.07080	9.0
205.04980	47.6
207.06526	6.9
211.06007	10.0
213.05510	14.7
215.06996	6.8
217.04991	40.4
219.02959	12.9
219.06499	22.0
221.04486	22.5
223.06012	45.2
225.05498	12.1
227.06970	7.2
229.04965	24.1
231.06523	25.1
235.06024	40.7
241.04982	17.9
243.06573	22.8
245.08127	11.2
247.06061	100.0
253.05019	16.4
255.06560	17.3
257.04523	9.3
257.08063	5.4
259.03448	7.6
259.06082	91.9
267.06622	7.8
271.06067	37.2
273.07611	16.7
277.07120	46.2
279.06430	6.4
283.05972	23.7
285.07584	13.3
289.07089	94.7
297.07639	13.3
301.03964	7.9
301.07132	79.8
307.08237	28.4
313.06982	53.4
313.09561	4.9
319.08188	26.1
325.06287	7.7
325.09750	75.0
326.80380	5.4
337.09644	26.2
343.08112	51.7
355.08176	23.0
361.09216	36.7
367.07986	11.3
373.09262	25.5
379.10297	16.7
385.09180	18.6
391.10120	34.8
403.10172	27.2
409.11282	5.8
411.08917	5.4
421.11292	25.5
439.12277	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	493.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44043	5.7
52.70734	6.2
53.65689	5.9
55.01875	13.0
59.37089	6.4
70.06579	12.1
70.13451	22.1
72.08163	9.6
84.08142	13.4
85.02902	27.9
97.02928	13.0
107.04936	8.1
109.02856	14.5
121.02863	23.5
123.04436	9.0
131.04961	9.2
137.06032	7.1
139.76155	6.1
147.04408	9.1
151.03964	8.8
154.86548	5.9
159.04448	11.2
161.06029	15.4
163.03923	12.0
167.03372	6.1
171.04393	16.7
173.05972	10.2
175.03900	34.7
177.05493	18.4
181.04993	15.9
185.06007	8.4
187.03992	22.0
189.05466	24.4
193.04984	45.8
199.03966	9.3
201.05435	21.4
203.03593	6.4
203.07062	20.8
205.05032	53.2
211.05960	15.4
213.05475	18.9
217.05023	38.1
219.03064	6.7
219.06551	27.5
221.04471	20.5
223.06012	41.9
225.05502	12.3
227.07109	9.1
229.05006	20.1
231.06534	20.7
235.05922	40.0
241.04926	18.1
243.06499	19.3
245.04395	6.6
247.06049	81.4
249.07745	7.5
253.04922	9.2
255.06566	15.2
257.08112	8.1
259.06058	99.5
261.33820	6.2
271.06003	38.5
273.07578	17.4
277.07144	56.3
283.05927	30.7
285.07504	17.9
289.07111	100.0
297.07736	8.6
301.07162	73.1
307.08136	28.4
311.08939	7.1
313.06915	71.5
319.08115	27.2
325.09763	53.3
331.08160	10.2
337.09039	21.6
343.07974	44.7
355.08002	16.7
361.09100	29.7
367.08011	8.9
372.03421	6.3
373.09085	26.2
377.57486	6.5
379.10187	22.0
385.09351	15.1
391.10449	42.4
403.10257	19.7
421.11142	20.5
439.12390	18.8
492.75998	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1919
Annotation	Diospyrososide
Peak:m/z	Relative Intensity
55.05500	3.8
57.03436	10.7
59.03610	3.5
69.03416	19.5
69.46172	3.3
70.06588	31.3
70.27486	7.4
70.27878	7.9
71.04994	70.3
72.08160	7.7
73.02935	3.7
74.02515	3.1
74.06071	3.2
78.97385	3.2
83.04977	12.1
84.04505	7.0
84.08150	12.9
85.02905	86.3
86.09716	11.5
95.01312	4.4
97.02871	5.5
97.35811	3.3
101.28643	4.1
103.03926	4.2
109.02864	6.6
110.03704	8.3
111.04468	6.6
119.04963	3.9
120.08118	8.2
121.02868	9.5
125.06010	29.5
127.03928	35.5
129.05472	25.4
129.10266	6.9
139.03923	6.8
147.04419	4.6
147.06512	4.4
153.05460	54.2
154.06215	19.8
169.04932	5.7
170.05780	19.0
180.75005	3.2
184.07260	4.3
185.08102	100.0
194.05724	4.7
197.08122	10.4
209.08083	6.9
221.07983	4.5
237.07565	3.5
243.03026	3.7
251.09221	10.8
254.82439	3.4
263.09351	3.4
277.10727	7.4
295.06046	10.8
307.06216	5.2
349.07059	7.4
361.07016	26.9
387.08423	5.7
391.07855	5.9
409.09409	8.5
415.08215	6.6
457.08939	5.8
475.10452	6.7
493.10849	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	493.2813
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03937	0.5
55.05513	3.8
57.05824	0.4
58.04826	0.3
67.05518	0.4
70.13218	0.7
70.13616	0.4
70.41625	0.3
72.08159	46.5
79.05477	0.5
81.07050	0.5
85.06612	0.3
87.90157	0.3
91.05483	1.1
93.07049	1.2
100.07625	0.4
103.05474	2.7
104.10746	0.5
105.07040	0.4
117.07027	0.5
119.08707	0.3
120.08111	100.0
121.08459	0.7
125.84467	0.3
126.12767	0.4
130.06590	0.3
131.08588	0.3
144.26489	0.3
151.07417	0.3
168.85707	0.3
171.14934	6.4
174.12778	2.9
179.08481	0.3
184.07318	0.6
199.14435	7.1
219.14948	16.2
222.12753	0.5
247.14436	20.1
267.14905	8.7
273.19513	1.0
295.11139	0.6
295.14435	11.9
301.19122	3.6
321.19617	0.9
346.21255	5.2
349.19104	2.2
394.21283	4.2
448.25549	1.0
465.28720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.05513	24.7
57.03441	14.2
57.07083	9.2
67.05510	29.3
67.05849	1.1
69.07073	31.8
71.08624	4.9
71.51913	1.1
79.05497	9.3
81.07059	26.8
83.08622	22.0
85.06563	1.4
85.10188	2.2
91.05454	1.5
93.07045	13.5
95.08612	26.5
95.22343	1.2
97.06526	4.2
97.10181	14.5
98.98470	66.0
107.08589	7.6
109.10162	13.4
111.08111	2.7
111.11714	3.0
119.08575	2.6
121.10154	16.3
123.11756	2.6
125.09641	1.8
131.08595	1.4
133.10170	1.8
135.11687	11.2
136.99992	6.4
138.73402	1.1
139.11198	1.5
145.10107	1.3
149.13266	4.7
155.01053	52.9
165.09148	1.3
193.02715	1.9
211.03700	3.5
221.15446	3.2
229.04707	3.3
247.24251	4.2
265.25189	10.2
313.09055	1.4
334.06482	1.1
339.28955	100.0
340.29367	2.0
475.28210	14.6
493.39108	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	493.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57856	5.0
57.07081	40.7
58.06587	24.2
59.06950	6.6
59.78561	5.5
67.05499	25.4
69.07059	15.6
71.08626	35.8
79.05482	12.4
81.07050	24.2
83.08617	13.1
85.10179	16.3
90.81617	5.3
93.07055	8.0
93.96143	6.0
95.08611	35.4
97.10168	9.2
105.07025	8.4
107.08615	8.2
109.10164	8.4
119.08546	6.4
121.10223	6.3
123.11714	8.9
131.24356	6.1
131.88223	5.6
144.65892	6.2
180.19603	6.3
181.33371	5.3
183.68521	6.7
239.23773	38.2
312.53766	6.6
313.27411	100.0
355.56168	6.0
493.32745	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	493.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	20.2
56.22652	5.1
57.07072	10.6
60.31915	5.2
67.05506	51.4
69.07061	21.0
69.56088	4.6
71.04981	9.1
79.05499	29.8
81.07059	100.0
83.08626	16.0
85.06551	7.9
91.05502	36.4
93.07054	64.3
95.04948	11.3
95.05495	6.0
95.08620	89.7
105.07055	59.7
107.08599	72.2
109.06513	19.9
109.09602	4.7
109.10183	50.7
109.32195	5.4
111.08106	12.7
117.07010	12.4
119.08589	64.3
121.06512	6.1
121.10169	44.1
123.08104	6.2
123.11700	21.6
125.09624	6.2
131.08577	33.4
133.10147	45.5
135.11702	37.6
137.09587	6.5
137.13281	8.5
143.08560	9.3
145.10141	29.3
147.11713	36.4
149.13266	38.9
151.11156	7.1
157.10130	12.3
159.11755	38.1
161.13261	34.6
163.14810	25.1
173.13278	21.4
175.14842	11.9
183.11736	6.4
185.13286	12.3
187.14816	18.0
189.16422	14.5
191.17963	7.5
199.14816	8.2
201.16328	6.9
203.14378	6.9
203.18005	13.2
213.16344	8.0
215.17960	8.1
217.19531	20.7
221.15349	14.9
227.17940	6.2
267.20914	7.9
300.73773	6.1
475.39133	12.8
493.30560	33.7
493.40842	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	493.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.6
55.01850	3.4
55.05513	20.9
57.07072	7.6
67.05183	3.9
67.05510	47.9
69.03392	3.4
69.07082	22.6
71.04972	6.6
71.52319	3.6
72.92242	3.5
79.05494	28.1
81.07061	96.7
83.08632	17.1
85.06532	5.5
85.10175	5.3
86.58160	3.5
91.05497	31.5
93.07050	60.7
95.04974	6.9
95.08614	100.0
96.93221	3.0
97.06557	3.8
97.10178	8.1
105.07031	63.7
107.07883	5.0
107.08595	63.7
109.06540	15.7
109.10166	60.6
111.08054	13.4
111.11736	4.7
117.07010	12.9
119.07816	4.8
119.08595	60.3
121.10151	49.8
123.08054	12.6
123.11701	23.1
129.07027	5.9
130.07748	3.8
131.08575	26.8
133.10138	38.4
135.08073	25.7
135.11694	28.1
137.09511	3.6
137.13278	7.5
142.07767	5.6
143.08557	11.8
145.10144	32.9
147.11699	32.5
149.09674	6.1
149.13297	35.8
151.07555	70.3
157.10133	13.3
158.10912	3.8
159.11708	43.9
161.13307	41.0
163.11249	4.1
163.14818	15.1
165.09105	5.5
169.10126	6.5
171.11681	12.8
173.13297	22.0
175.14796	19.3
177.09224	6.8
177.12689	8.8
177.16371	8.6
179.34793	3.1
185.13246	10.0
187.14819	19.8
189.12790	3.3
189.16461	17.7
191.10664	16.2
191.17882	7.1
197.13272	5.0
199.14862	11.0
201.16364	10.7
203.10684	5.9
203.14185	4.3
203.17963	14.0
205.12222	9.3
213.16432	11.9
215.17950	11.9
217.19505	16.6
227.18013	8.9
227.52670	3.9
229.19514	9.9
231.21082	6.2
239.18057	3.6
255.20979	4.8
257.22635	12.0
259.24203	6.4
285.25601	5.2
330.82227	3.7
409.64728	3.0
439.00058	3.4
475.39529	23.0
493.30048	17.8
493.40933	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3245
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05507	1.3
56.05034	1.2
57.03445	0.8
57.07067	0.8
58.06609	1.8
60.08168	17.0
63.73489	0.4
67.05512	1.9
69.07070	1.8
69.89867	3.0
70.06596	0.5
71.07376	6.5
79.05502	1.3
81.07063	2.5
83.08629	1.7
86.09713	48.6
87.04519	0.5
91.05498	1.0
93.07060	0.5
95.08623	1.6
97.10183	0.8
98.98501	3.8
104.10752	100.0
105.07054	0.7
107.08644	0.6
108.06870	0.4
109.10174	0.5
117.22205	0.4
120.73132	0.4
121.10152	0.8
125.00015	27.6
127.03922	1.0
129.00000	0.4
149.02353	0.9
163.01608	0.7
165.81584	0.5
184.07356	94.0
193.05058	1.4
237.07544	1.0
238.41916	0.5
258.11008	0.8
284.29697	0.9
311.25879	2.3
368.44635	0.5
405.63654	0.4
476.31442	8.3
494.32443	27.1
495.33093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.07064	0.7
58.06603	0.4
60.07896	0.4
60.08170	6.6
67.05490	1.0
69.07055	0.8
70.06585	0.9
71.07378	2.7
71.51238	0.7
79.05494	0.5
81.07057	1.0
86.09712	31.6
88.07623	0.8
91.05476	1.2
93.07030	0.8
95.08654	0.4
98.98458	3.3
102.09218	0.6
104.10759	3.1
105.06987	0.4
110.65718	0.4
125.00014	21.1
126.03188	0.3
127.03900	1.2
145.48170	0.4
149.02370	2.2
149.03336	0.4
153.27705	0.3
161.05949	0.5
184.07353	100.0
185.07610	0.6
193.04994	2.3
237.07660	2.0
250.32889	0.4
284.29501	1.5
347.50665	0.4
427.35764	0.4
476.31458	1.2
494.34909	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	494.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	8.8
55.71312	2.6
57.03461	3.3
57.07080	100.0
57.49163	2.7
58.07383	2.5
59.05001	47.2
67.05496	10.1
69.07085	5.8
71.08636	80.0
71.52175	3.0
79.05477	3.8
81.07053	11.9
83.08617	6.1
85.10187	51.6
86.81021	2.5
89.06023	6.6
93.07050	4.9
94.63188	2.8
95.08605	9.4
97.10125	4.4
99.11721	9.8
101.09627	3.7
101.87293	2.8
107.08583	4.5
109.10159	5.8
111.11697	3.5
113.13311	7.0
117.09131	18.7
118.65971	3.2
121.10103	4.8
127.07677	3.6
135.11678	3.9
135.81841	2.9
169.19530	5.8
197.11716	3.9
227.23698	11.3
233.90958	3.0
285.27896	11.0
426.60645	3.1
499.77777	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	495.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14471	0.9
53.03959	4.4
57.71874	0.8
63.43154	0.8
64.52297	0.7
65.72221	0.8
69.03408	1.1
69.85659	2.5
69.86066	1.2
71.04993	1.5
81.03422	23.1
83.01332	1.2
85.02935	1.8
90.45300	0.9
91.05484	67.6
97.02897	6.8
98.20784	1.5
99.04468	4.9
104.94846	0.9
105.03414	1.1
105.07032	1.5
109.02885	36.7
112.55878	0.8
115.05476	4.2
117.07019	3.4
119.04916	1.0
119.47077	0.7
127.03924	100.0
128.04196	1.0
130.70467	0.8
133.06516	5.1
143.04910	3.0
145.06497	1.7
158.88390	0.8
161.04639	1.6
161.05994	33.3
162.06403	0.9
169.04962	18.4
171.04431	5.4
179.07063	12.3
189.05482	1.3
201.51411	0.8
229.07091	1.5
257.91052	0.8
269.08295	0.9
287.09131	2.3
315.08615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.5
55.01876	0.8
66.99498	0.7
69.03421	1.2
69.28574	5.4
71.04995	2.4
81.03428	22.0
81.07092	0.8
82.08652	0.7
85.02904	2.9
88.07645	1.1
91.05492	71.5
92.05824	1.1
97.02903	7.3
99.04473	5.4
104.47023	0.8
105.03393	1.3
105.07027	2.1
109.02890	33.7
115.05456	4.3
117.07042	4.4
119.04970	1.7
127.03930	100.0
128.04234	1.3
133.06499	4.1
139.03923	1.8
143.04953	2.3
145.05013	0.8
145.06525	1.9
147.00485	0.7
149.02342	2.3
161.05998	34.7
169.04982	18.3
171.04393	6.4
179.07054	10.3
189.05562	1.3
193.05002	3.0
193.39383	0.7
194.05484	0.8
199.07721	0.8
201.41623	0.7
221.08139	1.0
229.07144	2.8
232.17998	0.7
237.07619	2.3
284.29718	1.3
285.29797	0.8
287.09250	1.2
347.11539	0.8
494.34644	1.1
495.17719	1.5
495.35391	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	4.7
57.99623	0.8
69.90046	3.4
71.04977	2.5
77.66100	0.9
79.00398	0.8
81.03419	22.4
85.02876	2.3
91.05486	72.2
92.82443	0.8
94.94698	0.9
97.02892	8.7
98.21334	1.3
99.04455	5.8
105.07038	1.4
109.02884	35.3
115.05460	3.4
117.07052	4.4
119.04987	1.5
127.03923	100.0
128.04179	0.9
133.06537	4.6
139.03920	1.3
143.04921	2.3
145.06584	1.5
161.05998	38.0
169.04974	17.9
171.04437	6.5
179.07013	12.6
187.06131	1.1
189.05528	2.3
211.05827	0.9
229.07114	2.8
269.08038	1.1
287.09006	2.1
347.11453	1.0
381.59924	1.2
431.55301	1.2
463.53012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
53.51311	1.0
69.63168	1.0
71.04982	1.3
71.35846	1.7
71.64523	0.9
73.36702	0.9
81.03419	22.6
83.01320	1.0
85.02906	2.2
91.05485	68.7
97.02877	5.7
99.04433	5.2
109.02888	33.6
115.05460	3.4
117.07008	3.3
125.02401	1.2
127.03919	100.0
133.06488	5.6
143.04932	1.4
145.06531	1.6
155.51218	1.1
161.05986	34.4
161.07277	2.1
169.04961	21.9
171.04434	4.2
179.07072	10.7
189.05537	2.8
229.07085	1.8
287.09106	2.9
297.07834	1.1
427.59299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01873	1.0
57.03440	0.6
59.17325	0.5
65.03949	1.1
67.67939	0.4
69.03438	1.0
69.61646	0.4
70.95440	1.1
70.95780	0.5
71.04998	2.1
71.33469	0.4
80.54498	0.4
81.03427	23.2
83.01359	1.3
85.02921	2.6
91.05489	72.4
92.05826	0.8
97.02898	7.1
99.04466	5.1
105.07042	1.3
109.02889	32.8
115.05450	4.0
117.07034	3.9
119.04978	1.5
125.02357	0.7
127.03928	100.0
128.04266	1.1
133.06525	4.7
139.03903	1.3
143.04930	2.0
145.06497	1.5
145.33087	0.4
161.05994	36.1
162.06230	0.4
168.26479	0.4
169.04984	18.1
171.04405	4.9
177.20372	0.5
179.07042	11.3
183.38535	0.5
187.06126	0.9
189.05531	1.7
199.07631	0.5
212.42159	0.5
221.08148	1.3
223.07687	0.5
229.07083	2.9
249.07620	0.6
263.67767	0.5
269.08020	0.5
285.97253	0.4
287.09155	1.6
347.11234	0.9
397.64493	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
63.48252	1.0
69.03424	1.5
69.43345	7.1
71.04993	1.9
81.03423	24.9
83.01333	0.9
85.02896	2.2
91.05486	70.4
97.02902	6.1
98.21083	3.7
99.04444	5.2
103.03889	1.0
105.07031	1.5
109.02888	33.5
115.05452	4.3
117.07030	3.5
119.04939	1.3
120.15486	0.9
123.59281	0.8
125.65807	0.9
127.03923	100.0
129.40967	0.8
133.06525	5.3
143.04939	1.9
145.06482	1.7
145.62378	0.9
158.31339	0.9
161.05994	35.8
162.06351	1.1
169.04979	17.0
171.04401	5.7
179.07053	13.5
187.06081	1.0
189.05547	1.3
201.00346	1.0
221.08121	1.4
229.07100	2.7
233.78502	0.8
287.09119	2.2
336.71960	0.9
372.70160	1.0
379.38800	0.9
391.24872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	6.7
55.01866	6.6
55.05515	85.2
57.03438	16.0
57.07079	5.0
59.05010	3.3
60.41753	3.4
65.03944	2.5
67.05510	99.3
69.03423	4.4
69.06776	2.8
69.07073	26.4
71.05000	4.0
71.08651	4.9
71.16488	4.9
79.05499	82.2
81.03446	3.1
81.07059	100.0
83.04979	6.7
83.08612	30.6
87.04472	4.4
89.06022	5.2
91.05479	35.9
93.07047	65.1
95.04961	2.8
95.08617	85.4
97.06531	5.6
97.10183	56.6
104.10740	7.4
105.07038	27.8
107.08592	60.6
109.06525	3.1
109.10165	39.0
111.08066	3.4
117.07026	11.3
119.08582	23.3
121.10152	43.4
123.08021	3.5
123.11713	19.8
125.09645	47.9
127.03916	5.3
131.08553	25.1
133.10144	23.8
135.11678	24.6
137.13235	6.5
143.10658	8.0
145.10161	16.4
145.40405	2.5
147.11703	14.9
149.13269	27.2
151.11238	4.1
157.10135	3.7
159.11742	20.1
161.13249	7.8
163.14839	12.4
171.11777	4.1
173.13251	18.4
175.14857	7.9
177.12764	2.9
177.16386	5.4
179.14372	3.0
184.07346	5.1
185.13313	3.8
187.14790	6.8
191.48308	3.0
199.13266	6.7
199.14943	3.2
201.16357	4.6
215.12798	5.8
215.17958	2.7
217.14369	68.9
243.21062	17.8
259.20575	5.2
261.22159	84.5
279.23209	4.3
317.24670	10.6
335.25851	48.1
337.27356	5.5
353.26984	12.2
375.33090	3.6
385.30881	10.8
403.32108	37.0
477.35886	31.8
478.36032	2.8
495.34976	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	495.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06438	3.1
53.03941	11.4
53.04178	3.4
55.01888	3.8
55.05515	100.0
57.03437	14.0
57.07075	14.6
65.03932	4.2
67.05508	92.0
69.03436	5.4
69.07071	27.0
69.44044	8.8
69.44450	21.9
71.08627	7.3
78.08704	3.4
79.05499	85.4
80.31183	3.2
81.03442	7.7
81.07061	96.1
83.04974	11.4
83.08620	33.1
85.10168	4.0
89.06050	15.9
91.05490	39.2
93.07043	55.7
95.04977	4.1
95.08607	77.5
95.09172	5.7
96.00162	3.7
97.02909	4.3
97.06523	3.9
97.10172	51.2
99.08118	3.9
104.10741	6.1
105.07034	22.6
107.08601	59.0
109.02899	7.5
109.10160	41.3
117.06998	10.0
119.08588	20.3
121.10152	30.2
123.11695	19.6
125.09653	36.1
127.03906	21.9
131.08577	10.8
133.08583	8.3
133.10161	17.5
135.11688	24.8
137.13304	8.6
143.10680	8.7
145.10158	14.0
147.11707	14.9
149.13275	14.7
153.06628	3.4
159.11722	14.7
161.06000	8.5
161.13271	13.4
163.14848	12.6
169.04980	7.4
173.13290	18.7
175.14810	3.7
177.16304	3.6
184.07388	5.7
185.13225	4.8
187.14853	8.1
199.13348	8.2
215.12627	7.1
217.14365	73.8
243.21065	18.7
259.70358	3.9
261.22159	77.7
279.23151	5.0
295.21179	4.1
317.25180	5.8
335.25833	54.1
337.27365	10.0
353.26971	19.6
354.61588	4.3
383.49954	4.0
385.31049	8.8
403.32068	26.9
477.35916	26.5
495.34579	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	496.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.05516	12.0
57.07068	5.4
58.02947	5.8
60.04539	6.1
69.03426	7.1
69.07079	11.1
70.06600	6.6
71.05001	43.3
71.11771	13.2
79.05488	13.3
81.07084	15.8
81.83310	5.4
83.04987	12.8
83.08626	9.6
85.02914	72.7
87.04510	5.9
91.05493	16.6
93.07034	81.3
95.04996	6.9
95.08618	15.5
97.02915	10.1
100.11264	21.0
105.07050	7.7
107.08615	53.5
108.72754	6.7
109.10149	8.9
117.59836	5.6
119.08613	9.2
121.42303	6.2
123.81541	5.1
125.73373	6.6
129.05478	28.3
135.11711	100.0
147.06519	12.8
153.12755	13.4
182.15399	10.1
210.14983	11.5
212.42188	6.1
308.86127	5.7
311.22168	5.8
316.81851	5.7
334.25983	6.7
431.71902	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	496.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.05516	12.0
57.07068	5.4
58.02947	5.8
60.04539	6.1
69.03426	7.1
69.07079	11.1
70.06600	6.6
71.05001	43.3
71.11771	13.2
79.05488	13.3
81.07084	15.8
81.83310	5.4
83.04987	12.8
83.08626	9.6
85.02914	72.7
87.04510	5.9
91.05493	16.6
93.07034	81.3
95.04996	6.9
95.08618	15.5
97.02915	10.1
100.11264	21.0
105.07050	7.7
107.08615	53.5
108.72754	6.7
109.10149	8.9
117.59836	5.6
119.08613	9.2
121.42303	6.2
123.81541	5.1
125.73373	6.6
129.05478	28.3
135.11711	100.0
147.06519	12.8
153.12755	13.4
182.15399	10.1
210.14983	11.5
212.42188	6.1
308.86127	5.7
311.22168	5.8
316.81851	5.7
334.25983	6.7
431.71902	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	496.3401
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.16830	0.2
54.95348	0.3
55.05511	0.4
56.05038	1.1
57.03429	0.6
57.07076	3.3
58.06581	1.4
60.08166	17.9
67.05510	0.5
69.07054	0.4
69.95760	0.2
70.06567	0.3
70.23833	0.6
70.24211	0.4
71.07374	6.8
71.08624	1.9
77.38200	0.2
81.07054	1.1
83.08607	0.4
83.61755	0.3
85.10181	0.9
86.09708	52.2
87.10027	0.3
95.08606	1.2
97.10180	0.4
98.20884	0.2
98.98473	4.2
100.23817	0.3
104.10745	100.0
105.11095	0.3
109.10161	0.5
118.02165	0.3
125.00007	29.5
136.99963	0.2
150.76563	0.2
163.01566	0.6
181.02664	0.3
184.07343	95.9
185.07654	0.6
212.34164	0.3
252.21376	0.2
256.55209	0.2
258.10910	1.1
305.82394	0.2
313.27411	1.6
365.22955	0.2
379.50751	0.2
419.25476	0.3
460.34073	0.3
478.32990	8.1
496.34000	26.9
497.34494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.2
56.05035	0.7
57.03443	0.3
57.07080	0.8
58.06364	0.2
58.06625	0.4
60.08167	6.4
67.05527	0.2
69.07066	0.2
70.06575	0.2
71.07379	3.2
71.08635	0.5
81.07069	0.5
83.08620	0.2
85.10189	0.3
86.09709	33.0
93.07079	0.2
95.08594	0.3
96.36565	0.1
98.98472	3.4
104.10752	2.8
109.10176	0.1
125.00011	22.8
156.23778	0.1
166.02638	0.1
184.07347	100.0
185.07733	0.6
258.11111	0.2
313.27188	0.3
372.00928	0.2
455.26709	0.1
478.32990	1.0
496.33926	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38659	0.5
55.05516	0.8
55.73556	0.5
57.07081	0.7
62.33702	0.6
67.05503	1.2
70.55207	0.7
70.55573	1.7
74.88898	0.5
79.05515	0.8
81.07073	0.8
81.46496	0.6
86.09675	0.7
89.06053	0.9
91.05463	1.1
93.07028	0.7
95.08601	0.8
104.10727	1.3
105.07034	0.9
107.08605	0.8
109.10152	0.7
133.10123	0.7
168.75848	0.5
184.07439	1.3
189.09117	0.6
217.08672	1.6
225.05463	0.7
251.07159	0.8
254.05705	0.6
265.05014	0.7
279.06509	0.8
317.08173	3.0
322.09818	1.1
328.34451	0.6
349.12509	0.7
350.09387	1.1
363.10196	0.8
365.11578	2.7
375.10425	0.9
377.11743	1.6
378.08777	2.6
379.13458	0.8
390.08862	0.9
391.13638	0.8
392.10422	1.3
393.11240	5.8
394.11871	0.8
396.10010	1.6
404.10413	1.6
405.11218	2.4
406.08481	2.1
407.13333	1.1
408.13599	2.0
411.12265	4.0
418.12479	1.0
419.12741	4.2
420.09595	0.9
421.10883	3.7
422.11298	1.1
423.11713	0.9
423.16531	1.3
424.09128	0.9
433.10788	1.1
435.12573	4.8
436.13171	9.2
437.13818	4.2
439.11780	2.6
449.10123	3.1
450.11108	0.7
451.16409	3.1
453.13364	1.4
454.14130	8.5
464.12408	1.7
467.11414	6.7
467.83228	0.6
469.16501	15.9
470.16550	0.8
479.14877	1.8
482.13669	1.9
497.15991	100.0
497.36050	6.7
498.16013	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	497.181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05666	1.0
53.03935	2.1
58.93621	0.9
67.05491	1.3
68.99792	1.6
69.03444	2.0
70.06586	3.1
70.84224	1.9
70.84587	2.4
79.05480	5.8
80.98487	1.0
81.03406	2.7
81.07055	2.7
85.02899	4.1
86.09682	1.5
89.03928	1.2
91.05484	4.4
93.07055	1.8
94.04182	4.5
97.02905	2.6
103.05435	1.8
105.07037	2.8
107.04953	5.8
109.02884	1.7
109.06533	2.4
111.04431	1.4
115.05433	2.4
117.03393	3.2
119.04932	3.6
120.08113	1.1
121.06527	2.9
122.03671	8.4
127.03896	2.1
129.01881	1.7
131.04929	2.8
135.04420	4.7
136.07541	1.1
137.05981	100.0
139.03850	1.4
143.04933	1.4
145.06517	1.7
146.03712	1.7
147.04390	3.3
149.05980	30.1
151.03938	6.7
151.05035	1.6
151.07562	2.4
152.06216	3.0
153.05455	2.3
153.06946	1.4
161.06001	8.0
163.03940	1.5
165.05594	1.9
165.07010	4.9
167.07019	3.5
168.05725	2.2
169.06462	2.2
175.07637	1.2
177.05484	46.0
177.06897	1.9
180.05730	4.2
181.06459	2.0
183.04407	1.2
183.08070	2.6
189.05547	1.3
189.07077	1.2
191.04956	2.5
193.06490	1.1
194.07303	2.3
195.08083	3.5
196.05153	1.7
197.05960	6.0
198.06937	1.0
199.07629	1.5
201.05513	1.3
203.07076	3.8
205.06491	1.5
206.07257	1.9
207.06482	2.9
208.05217	8.6
209.05989	1.9
211.07588	8.4
212.08295	2.7
213.05565	1.9
219.04449	1.4
223.07610	4.4
224.08366	2.1
225.05481	6.1
225.09122	2.3
227.07115	2.2
231.06552	3.2
234.06783	3.8
236.04732	6.0
237.05389	2.3
237.09134	2.0
239.06999	2.6
240.07909	8.6
241.08360	1.8
241.23163	1.2
249.07245	2.1
249.09390	2.9
250.06352	1.4
251.06995	8.5
253.04881	2.4
253.08714	2.4
255.06450	1.3
255.10248	1.8
259.09750	1.9
262.06381	2.1
263.06860	1.1
265.08618	3.4
268.07233	7.1
269.08170	3.2
271.09677	3.9
273.07590	2.2
273.11111	1.8
277.08661	9.8
279.06470	2.8
281.07990	1.7
283.09738	3.5
284.10483	1.3
285.11197	3.3
295.09668	1.7
297.11285	3.2
299.09131	7.4
300.42102	1.0
307.09882	1.4
308.08188	1.2
309.11365	2.9
311.09149	24.7
313.10773	2.9
315.08585	13.9
325.10788	3.2
326.09326	2.3
329.10147	8.8
341.11755	1.7
354.08832	1.2
369.11261	3.0
373.14713	1.3
386.11453	2.8
387.12027	1.1
401.13898	7.9
407.81299	1.1
411.12198	3.2
418.14545	1.3
421.16394	6.9
431.15234	2.0
433.16498	49.4
443.14893	1.7
449.15735	6.6
451.17828	4.9
461.16016	5.2
479.17059	7.8
497.19974	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.05507	9.2
57.03433	7.1
57.07070	2.4
58.07865	2.6
61.02924	4.3
62.23522	2.0
67.05178	3.8
67.05509	37.8
68.26906	2.1
69.07061	7.4
70.06582	10.0
71.04987	10.1
71.51315	2.3
79.05479	12.7
81.03435	3.7
81.07064	62.3
82.07377	2.8
83.04967	5.4
83.08609	5.7
84.08140	5.1
85.02897	7.4
85.06532	11.2
91.05469	15.4
93.07049	26.0
95.04987	3.7
95.08608	11.1
97.02905	3.9
97.06530	6.7
99.04463	2.7
99.08150	2.6
103.03925	2.6
105.07022	8.6
107.08603	9.5
109.10153	6.1
111.08100	3.6
115.05412	2.8
117.07021	5.2
121.10125	5.2
123.11681	9.5
124.28355	2.4
127.03887	3.2
131.08583	7.4
133.10107	11.4
135.11667	5.1
137.05959	5.7
138.06267	2.5
144.32578	2.3
145.04956	2.7
149.13269	18.1
151.11189	5.0
159.11707	27.8
177.12764	38.4
179.14307	7.6
187.13298	6.2
195.13814	5.9
227.76828	2.3
243.15924	40.7
251.16437	11.1
269.17502	100.0
301.20114	17.1
320.75385	2.4
338.86426	2.2
445.24185	6.6
498.34134	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	498.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75629	0.4
60.05656	4.4
68.05033	0.6
69.07064	2.1
69.79564	2.0
70.06597	71.2
71.04993	4.7
84.08177	0.5
86.09711	21.9
88.07651	2.1
97.07649	2.0
98.06053	4.7
112.08735	26.2
113.07135	0.7
115.08714	4.9
116.07101	10.9
130.08601	0.6
138.12770	3.7
140.08202	5.9
157.10863	11.9
157.12079	0.8
165.13893	1.3
166.12306	1.3
182.16553	2.0
183.14943	13.2
183.16527	0.8
199.18088	1.4
208.14494	1.5
210.16057	1.7
211.14435	3.4
225.17117	37.9
229.15569	1.1
242.19800	6.4
252.18214	0.9
253.16635	4.6
269.21042	0.9
270.19254	3.2
271.17593	0.5
288.20407	1.2
306.21716	0.4
324.22781	0.8
338.25491	0.9
349.07147	0.5
355.28259	3.2
366.25003	1.8
383.27679	5.2
384.26221	1.1
401.28796	3.7
481.31464	2.9
498.34021	100.0
499.34308	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	498.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.6
55.05516	1.5
57.03442	7.3
58.06604	30.7
59.07383	9.4
60.08167	8.7
67.05190	0.3
67.05508	5.7
69.07074	2.2
70.08364	1.2
72.85946	0.4
73.02886	0.9
75.04485	4.0
79.05493	1.8
81.07064	4.9
83.08596	0.6
84.08111	0.3
85.02905	2.3
86.09664	0.3
87.04476	5.4
91.05467	0.8
93.05515	0.3
93.07030	1.3
95.08609	3.1
98.21479	0.4
101.05989	0.4
103.03918	0.8
105.05502	0.9
107.08584	0.3
109.10133	0.6
113.18130	0.3
119.08543	0.3
130.08693	0.3
131.07048	2.3
144.09148	0.5
144.10210	7.4
159.06523	0.4
162.11253	4.4
200.12761	0.5
218.13940	0.6
236.14938	100.0
237.15242	1.2
436.37903	0.4
480.36865	23.3
481.37326	0.6
498.37912	67.2
499.38232	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05510	3.3
57.07074	1.7
58.06604	27.5
60.04528	6.4
63.90847	0.7
67.05499	5.8
69.07069	4.8
69.17223	5.0
69.17627	1.0
71.05003	0.6
72.08158	1.6
79.05499	2.1
81.07066	7.8
83.04984	1.3
83.08619	2.6
85.06548	1.3
89.06051	0.7
91.05487	2.5
93.07056	6.0
95.04999	0.8
95.08621	10.4
97.06526	1.1
97.10173	2.3
98.09682	0.6
99.08111	1.8
100.07626	6.0
105.07026	5.6
107.05552	0.6
107.08593	8.3
109.10161	12.4
111.08053	0.6
111.11690	0.6
117.06982	0.8
119.08585	7.9
121.10142	8.7
123.08087	2.2
123.11713	5.7
125.09657	0.9
126.12836	1.1
127.11215	0.6
131.08578	2.6
133.10126	6.6
135.11707	3.8
137.09624	0.8
137.13251	1.9
143.08612	1.7
145.10130	5.4
147.11694	6.0
149.09549	0.6
149.13287	3.3
151.11224	0.8
157.10094	3.0
159.11700	5.9
161.09654	1.1
161.13289	4.3
163.11285	0.8
163.14883	1.7
165.12860	1.5
169.10088	1.0
171.11688	2.8
171.14857	0.7
173.13298	4.1
175.11238	1.3
175.14908	1.3
177.12773	1.0
177.16431	1.0
183.11729	1.3
185.13246	3.1
187.14853	2.7
189.12784	0.9
189.16447	3.3
191.14380	0.7
197.13304	1.6
199.14888	2.1
201.16478	1.8
203.18007	2.5
211.14841	1.1
213.16446	2.5
215.18050	1.2
217.19519	1.9
225.16464	1.3
227.18065	1.8
229.15953	0.8
229.19576	1.7
231.17473	1.4
239.18037	0.9
241.19650	1.5
243.17563	1.0
243.21201	0.9
245.19089	1.8
253.19489	1.5
255.21167	2.8
257.19080	1.4
257.22913	0.7
267.20932	1.0
271.20712	2.2
273.22278	1.6
279.21262	0.8
285.22220	1.5
295.20700	0.6
299.24051	0.7
311.23550	0.8
323.27194	1.4
339.27112	0.8
341.28238	3.1
365.28442	1.1
421.34888	1.2
439.35739	11.7
440.35928	1.1
466.25177	0.6
498.39481	100.0
499.39798	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	498.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78852	0.8
54.06411	0.8
55.05490	1.1
57.07078	37.0
69.07063	2.5
69.37172	2.5
69.37594	4.3
71.08636	27.6
73.06554	6.8
81.07057	1.3
83.08612	2.5
85.10183	20.8
87.04443	4.1
89.06035	100.0
90.06348	0.9
91.05484	2.6
95.08561	0.9
96.08438	1.0
97.10152	3.9
98.20799	1.8
99.11740	4.5
107.07067	1.1
107.08524	1.0
111.11671	1.2
113.13276	1.7
117.09108	3.3
130.08658	2.0
131.07045	1.2
133.08609	52.2
155.17953	5.2
177.11241	18.0
189.09032	1.0
191.39435	1.0
195.12219	1.1
197.71449	0.9
199.20558	4.4
209.68077	0.8
212.08301	1.1
219.07787	0.8
221.13817	3.0
239.14836	2.3
243.10193	2.1
243.23175	7.8
244.10493	1.0
256.10818	1.9
271.09653	5.4
283.17456	2.2
287.25925	5.1
327.20087	9.4
373.69815	0.9
393.31985	1.1
463.41458	1.0
481.16061	1.0
481.37289	11.1
498.19992	8.6
498.41013	1.6
499.17657	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	499.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
54.04271	0.8
55.01866	1.8
55.05519	4.6
56.05840	0.8
57.03436	7.2
57.07088	0.9
58.03770	1.2
61.02930	12.6
62.03255	0.7
65.03937	1.3
67.05510	17.8
68.05845	3.8
69.03431	10.1
69.07071	4.4
70.03757	2.5
70.07406	1.2
71.01351	1.6
71.04998	2.0
71.51405	0.6
72.05330	0.8
73.02934	5.9
74.03249	0.6
79.05498	10.8
80.05839	3.3
81.03425	8.8
81.07062	16.7
82.03751	2.1
82.07395	5.2
83.04993	1.6
83.08627	1.6
84.08987	0.6
85.02435	1.0
85.02914	12.9
86.03239	2.5
87.03323	0.8
87.04444	0.8
91.03958	7.9
91.05479	7.9
92.04296	1.5
92.05820	2.8
93.04356	0.8
93.07049	12.3
94.07371	4.2
94.07879	0.7
95.04974	1.5
95.08616	12.9
96.08926	4.8
97.02901	10.9
97.06545	1.1
98.03242	2.9
98.06841	0.7
99.04453	3.4
100.04829	1.0
101.02386	2.4
103.03934	4.1
103.05490	0.8
105.04505	0.9
105.07037	8.8
106.07373	2.2
107.04981	0.7
107.08579	5.9
108.08941	2.6
109.02897	3.7
109.06550	1.3
109.10157	4.9
110.03200	0.9
110.10502	2.4
111.02020	0.6
115.03921	1.2
115.05475	1.0
117.05528	0.6
117.07032	2.4
119.07854	0.8
119.08586	4.6
120.08920	1.7
121.06494	1.4
121.10159	6.1
122.10496	2.6
123.10889	0.7
123.11736	2.2
124.12104	0.7
127.03931	5.9
127.66348	0.7
128.04268	1.5
129.05490	1.3
129.07024	0.9
130.04237	0.8
131.08556	2.6
132.08890	1.8
133.10156	2.6
134.10481	1.6
135.08064	0.9
135.11716	3.1
136.12059	1.3
137.05954	1.4
137.13293	0.8
144.05797	1.0
145.04999	1.9
145.06454	3.6
145.10144	2.1
146.10495	1.4
147.05418	0.8
147.08018	0.7
147.11699	1.3
148.12135	1.0
149.09560	0.7
149.13278	1.8
150.13673	1.3
151.07565	2.2
151.54752	0.7
157.20724	0.6
158.07359	0.7
159.08032	0.7
159.11722	1.3
160.05234	1.9
160.12070	1.4
161.05989	2.2
161.13306	1.3
162.13635	0.6
163.07571	4.3
165.06984	1.6
167.08580	0.9
173.13240	1.5
174.13631	1.3
175.07506	6.3
176.14960	0.7
177.09137	8.9
178.07709	1.1
179.08575	1.6
181.06523	1.1
183.06570	1.6
187.14882	1.1
188.15067	0.6
189.09145	1.9
194.07439	0.7
195.08067	1.0
196.08864	0.8
197.09636	1.4
201.07669	1.2
203.07030	11.7
205.08649	2.0
208.08830	4.0
209.06082	1.0
209.09631	1.5
212.08170	0.7
217.08630	1.0
222.06795	0.8
223.07529	1.3
224.08330	5.7
225.09160	2.7
235.07582	1.0
236.08586	0.8
238.10014	0.7
239.10701	9.2
240.11470	11.6
243.10289	1.7
251.10719	3.2
260.21088	0.8
261.22150	1.8
262.22537	2.6
263.10638	0.7
263.22968	1.0
267.10165	12.4
267.38168	0.6
271.09644	4.0
275.10712	0.9
295.09686	1.2
322.09698	0.7
325.12366	0.7
335.10709	1.1
335.25671	3.2
336.11646	0.7
336.26117	7.0
337.12222	1.2
337.26349	5.2
339.10110	0.7
339.13766	0.8
347.11035	0.7
348.11563	0.9
349.12299	1.2
351.13824	1.5
352.10950	1.8
352.14835	0.8
353.11737	1.4
363.10147	0.9
363.14072	0.9
364.10892	2.3
365.07837	0.8
365.11810	1.7
366.12689	1.5
367.13318	1.8
369.14758	1.1
377.11896	1.5
378.12524	0.8
379.13370	2.7
380.10452	2.5
380.14352	1.5
381.10992	1.7
381.15259	1.4
382.11911	1.3
383.16473	1.1
385.14459	1.2
393.10941	1.1
394.11456	0.9
394.15988	1.2
395.12766	6.9
395.16812	0.8
396.13287	1.2
397.14395	3.4
405.11105	1.3
406.11932	1.0
407.12549	1.4
407.26813	0.9
409.14401	2.2
410.15338	2.8
411.15970	7.3
412.16745	3.0
413.13873	1.8
415.19034	2.1
420.13345	1.4
421.14386	1.0
422.10999	1.2
422.15842	1.2
423.12268	3.7
425.17593	2.2
428.16086	3.7
435.15814	1.2
437.13965	3.9
438.14624	11.9
439.15536	1.6
441.13052	0.9
443.18646	10.4
453.16992	36.3
455.18524	5.7
456.15918	2.1
471.18073	100.0
472.18259	3.5
476.63861	0.7
498.31436	1.5
499.20834	2.8
499.31705	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	499.1756
Annotation	Palodesangren B
Peak:m/z	Relative Intensity
58.56971	0.6
59.72045	0.7
61.20141	0.5
70.06573	0.8
71.51047	0.6
85.94063	0.5
91.05468	0.8
95.08577	0.6
107.04971	1.2
119.08540	0.7
121.06556	0.5
131.04897	0.5
143.08498	0.5
146.67592	0.5
151.07579	1.1
161.05869	0.6
173.49348	0.4
175.07478	1.2
177.09122	2.1
185.11008	0.5
205.08722	0.5
215.07179	0.6
217.08612	2.6
232.32036	0.6
239.10825	0.6
267.10507	0.6
332.11899	0.6
353.11670	0.6
363.09946	0.7
379.13513	0.7
381.11246	2.2
393.11194	0.7
395.12955	1.9
396.13556	0.7
407.12946	1.3
409.10568	1.3
411.15991	1.4
421.10287	1.2
422.11407	0.9
423.12280	1.9
424.13129	1.2
435.12518	1.3
436.13245	1.4
437.09915	1.1
438.14926	1.4
439.15417	4.8
441.13394	5.6
451.11469	2.2
452.12979	0.9
453.17068	1.8
454.10056	0.6
467.15414	4.0
468.12018	1.1
469.12802	2.7
471.17972	3.0
483.07947	0.6
483.14508	7.2
484.15222	10.5
499.17542	100.0
500.17743	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2121
Annotation	Cochinchinenene C
Peak:m/z	Relative Intensity
55.01872	2.5
66.44560	0.8
69.95734	4.2
79.05495	6.2
91.05489	3.2
93.07050	1.1
95.04971	1.2
103.05458	3.9
105.07037	50.3
117.07024	0.9
119.08592	1.0
121.06572	1.5
127.03950	1.0
128.06157	0.9
141.06935	0.9
151.07620	1.0
161.06009	1.7
165.07033	3.3
167.08560	1.6
168.05795	1.5
170.07208	1.0
171.11789	1.0
175.07405	0.9
180.74512	0.9
181.06511	1.5
182.07324	2.4
183.08115	1.9
185.06053	2.5
193.06491	1.2
194.07356	1.4
195.08038	0.9
197.06047	3.7
197.09624	2.0
200.08321	2.3
201.09169	2.8
203.10680	1.5
210.06776	1.8
211.07597	3.1
212.08331	12.6
213.05569	2.8
215.10742	2.5
222.06790	1.0
225.09103	9.1
227.07138	1.1
228.07828	7.4
235.14948	0.9
239.07123	1.3
240.07799	1.1
243.06580	1.5
243.10199	28.0
253.08618	6.6
257.11905	0.9
260.70135	0.9
271.09659	100.0
272.10080	1.4
277.08655	1.9
301.12119	1.1
329.11792	1.7
333.11172	1.9
344.10373	1.9
344.14178	1.8
345.11121	0.9
346.12180	1.4
359.12955	3.0
361.10724	2.9
361.14755	1.0
362.11313	1.2
375.12183	1.5
376.13226	5.3
377.14001	1.0
389.13910	2.3
394.13943	2.1
403.15338	1.0
481.20453	6.7
498.97546	1.0
499.21185	43.5
500.21503	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.4
55.01865	5.8
55.05273	2.0
55.05516	27.4
55.34319	1.5
57.03439	43.2
57.07061	6.2
58.06602	1.6
59.04992	1.9
61.02921	19.3
65.03936	4.4
67.05508	93.8
68.05848	1.8
69.03435	50.4
69.06729	2.9
69.07073	32.7
69.27244	16.0
71.01348	5.5
71.04997	13.7
71.08624	6.1
73.02926	9.2
75.04469	5.4
79.05064	3.0
79.05495	35.1
81.03422	75.5
81.07059	100.0
83.04970	7.9
83.08622	20.1
85.02908	47.3
85.06541	3.4
85.10182	2.6
87.04461	4.6
91.03955	10.2
91.05489	21.3
93.07047	36.6
95.04980	4.5
95.08612	69.3
97.02893	40.4
97.06531	4.9
97.10146	13.1
98.21609	1.8
99.04453	27.9
99.08104	4.4
101.02374	4.6
103.03951	32.8
103.60922	1.7
105.07050	14.6
107.04911	1.8
107.08601	19.1
109.02886	41.9
109.06512	2.5
109.10164	28.3
111.04434	5.6
111.08092	4.6
111.11736	2.7
115.03937	6.7
117.05482	4.6
117.07088	2.1
119.08578	13.0
121.10129	18.6
121.16490	1.6
123.08029	1.8
123.11720	14.0
125.02417	2.2
125.09604	2.8
127.03922	48.4
129.05450	7.4
131.08582	6.9
133.10130	12.5
135.11728	10.2
137.09615	3.3
137.13231	6.0
139.11172	1.7
143.08562	1.9
145.04944	5.8
145.10088	5.5
147.11642	8.1
149.13245	7.6
151.07547	2.0
151.11194	1.8
151.14807	3.6
155.07004	3.0
157.10031	1.7
159.06546	5.2
161.13252	8.3
163.14783	8.0
164.69041	1.4
165.12860	1.8
165.16338	2.2
171.06505	4.2
175.14828	6.1
177.16350	3.9
179.14206	1.8
183.06541	17.7
201.07535	8.7
219.08730	1.7
237.15218	1.7
245.22655	11.9
253.37247	1.8
261.22055	4.8
263.23727	19.2
269.30289	1.7
287.24081	1.8
303.22989	2.1
305.24686	2.5
337.27402	46.6
371.25766	4.3
407.27835	21.0
412.10385	1.6
481.31387	5.0
499.31677	8.9
499.38565	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	500.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06888	0.3
59.75472	0.3
70.06588	0.9
70.68964	0.7
72.08154	0.4
74.56225	0.4
79.05484	0.4
84.08141	0.7
85.02901	1.4
94.04195	1.7
97.02937	0.5
106.23342	0.3
107.04941	0.4
112.05043	0.3
122.03671	4.0
131.04953	0.5
137.05988	100.0
138.06325	0.9
147.04381	0.4
149.05943	1.0
151.07573	0.4
153.07016	0.6
179.07056	0.7
180.99426	0.3
181.06461	1.7
213.09131	1.4
221.06100	0.3
241.08649	1.2
253.08580	0.8
273.11282	4.5
285.11194	1.8
303.12225	0.7
348.69867	0.4
433.54764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	4.2
57.03440	5.4
57.07071	1.6
57.57442	0.7
58.06604	40.0
59.07385	8.5
60.04512	2.7
60.08169	6.6
64.60362	0.8
67.05513	5.2
69.07070	4.8
71.51642	1.3
71.57926	0.7
72.08167	1.0
73.02900	1.0
75.04475	2.8
79.05502	2.3
80.60902	0.7
81.07055	5.1
83.04958	1.0
83.08620	2.5
83.09088	0.7
85.02901	2.1
87.04465	5.0
88.07606	0.8
91.05457	2.2
93.05530	0.7
93.07049	3.2
95.08614	7.3
97.10184	1.8
97.57705	0.7
98.00411	0.7
100.07627	3.0
103.03960	0.8
105.05556	1.1
105.07027	2.1
106.20566	0.7
107.08600	5.1
109.10159	8.9
111.11763	1.0
113.05979	0.8
116.08356	0.8
119.08619	3.8
121.10143	5.0
123.11733	2.1
131.07053	1.4
131.08551	2.0
133.10121	4.0
135.11732	5.0
138.36501	0.9
143.08575	1.0
144.10210	7.3
145.10136	2.6
147.11694	3.4
149.13307	1.4
149.75198	0.7
159.11696	3.3
161.13260	2.6
162.11288	3.4
163.14888	1.2
171.11711	2.1
173.13275	3.2
175.14761	1.6
185.13347	1.5
187.14796	3.6
189.16428	2.1
199.14854	1.4
201.16405	2.0
203.17957	0.9
213.16476	0.9
215.17848	2.0
227.17894	1.3
229.19540	2.8
236.14934	86.0
237.15207	1.4
241.19598	1.6
255.21089	1.6
256.12503	0.7
257.22607	1.3
269.22784	1.0
293.13052	0.8
325.28854	4.1
438.39520	1.2
441.37302	4.7
442.36954	0.8
482.38452	19.2
500.40244	100.0
501.40411	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	500.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
57.03440	3.2
57.07079	1.4
58.06602	31.2
59.07381	4.5
60.04528	3.5
60.08169	3.3
61.09486	0.6
62.23948	0.6
67.05500	3.3
69.07071	4.9
69.54389	0.6
71.52174	1.0
71.75073	0.6
72.08144	1.4
73.02928	0.8
75.04478	1.3
79.05501	2.2
79.17481	0.7
81.07053	5.8
83.08622	1.7
85.06554	0.8
87.04481	2.1
88.51350	0.6
91.05486	2.0
93.07052	5.6
95.08601	7.8
97.06557	0.7
97.10194	0.8
99.08089	0.7
100.07645	4.5
105.07029	4.3
107.08603	7.4
109.10155	10.1
119.08595	5.8
121.10155	6.6
123.11716	2.6
126.12845	0.8
131.07074	0.8
131.08582	2.0
133.10144	4.0
135.11702	6.5
137.13264	1.3
143.08533	1.5
144.10191	3.3
145.10135	3.4
147.11700	4.6
149.13283	2.3
157.10153	1.5
158.10950	0.6
159.11771	4.0
161.13271	3.7
162.11302	2.2
163.14891	1.6
171.11774	2.2
173.13217	3.2
175.14853	2.1
177.16405	1.2
185.13341	2.0
187.14821	4.7
189.16396	3.5
199.14891	2.1
201.16455	2.3
203.17996	1.4
213.16524	1.9
215.17990	3.7
221.77316	0.7
227.17964	1.1
229.19438	4.3
231.20953	0.8
236.14928	47.9
241.19534	1.9
243.21094	0.8
255.21211	2.9
257.22662	2.0
269.22641	2.1
276.09030	0.7
283.24219	0.9
325.28897	4.4
393.43872	0.7
412.04205	0.6
415.83347	0.7
423.35910	1.0
441.37338	7.8
482.38504	12.9
500.40683	100.0
501.40973	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.6
57.03418	3.3
58.99866	5.2
68.98317	2.7
69.03448	13.4
70.94462	3.2
70.94796	4.0
72.08157	7.1
73.02895	2.8
80.95424	2.4
81.03429	4.9
82.99876	4.2
84.08138	3.9
85.02900	17.2
86.09742	3.3
86.99321	3.5
89.10794	3.4
91.05460	2.3
97.02907	14.0
98.97569	13.3
101.00890	44.6
105.00340	2.5
107.04978	4.7
110.97587	3.9
113.00871	13.1
115.02444	10.8
116.98632	4.7
119.01929	57.2
119.04945	6.2
122.01408	6.6
125.00954	2.5
127.02462	17.3
127.03923	8.9
129.00320	2.8
131.01906	34.1
132.95845	7.2
133.03491	14.5
137.00932	2.8
137.01947	5.1
137.02887	4.0
137.05981	4.9
139.02412	4.7
141.03983	3.1
143.01897	32.7
145.03485	46.2
145.04781	4.5
147.01421	5.3
147.03313	3.8
147.04315	13.5
152.05682	4.5
155.01903	48.1
156.02657	4.1
157.03503	17.1
159.01337	5.4
161.02963	30.0
163.04472	3.7
167.01933	11.8
168.95851	3.4
168.99776	3.3
169.03529	8.9
171.01399	9.6
171.04991	5.2
173.02991	45.2
175.04585	6.3
177.02435	8.0
179.01883	8.5
181.03564	5.6
182.99779	2.6
183.01402	4.9
183.05051	4.8
185.02954	37.7
187.00888	4.9
187.02737	2.4
187.04532	8.6
189.02466	4.8
197.02980	15.9
199.00970	3.7
199.04440	2.6
201.02411	4.6
203.04012	47.7
205.03581	4.8
209.02948	8.5
211.04614	4.4
212.04591	2.8
213.02460	4.0
215.00391	4.4
215.04004	8.9
217.01910	6.0
217.05537	4.7
219.01680	4.1
219.03487	3.7
221.03072	4.2
221.05070	71.8
223.04588	6.7
225.02460	5.5
227.04086	13.2
231.03632	4.5
234.99098	3.4
235.04514	22.3
235.06677	10.8
237.02663	3.6
238.02469	3.1
239.03999	3.6
240.90909	3.1
241.05545	3.3
241.55655	2.7
245.02571	5.5
245.05086	100.0
246.05348	4.3
247.04749	6.3
253.05672	14.5
257.05078	3.5
261.02518	4.7
263.06168	8.4
267.03479	3.1
271.03012	7.0
273.04587	6.7
275.02463	9.4
275.06091	11.6
289.03806	4.1
295.06607	2.7
297.04575	8.4
299.02594	3.3
299.06168	2.6
301.03989	4.1
311.02548	4.4
313.07654	22.1
315.05496	4.9
330.46716	3.0
331.05124	2.6
331.08725	3.7
341.07074	3.7
343.05011	8.4
351.09192	4.1
355.08777	72.7
359.04596	11.7
360.98587	4.1
361.05997	2.7
365.09467	3.3
367.08743	2.8
377.05664	4.7
381.06702	9.0
383.08051	4.7
390.99817	4.4
399.07568	3.1
411.07541	6.1
413.09259	3.5
425.09366	13.5
437.13171	2.5
441.08810	10.2
453.08862	39.0
469.08420	41.3
470.08511	3.4
483.10034	4.2
501.10565	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	501.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.2
55.01861	4.9
55.05280	2.4
55.05515	29.4
57.03194	2.4
57.03440	31.7
57.07072	18.1
61.02927	47.1
62.65276	1.9
67.05177	3.1
67.05505	41.6
69.03430	48.2
69.06689	2.6
69.07065	48.4
71.01340	4.6
71.04985	10.5
71.08619	7.0
73.02923	20.5
79.05492	18.0
80.48222	2.1
81.03416	42.4
81.06592	3.3
81.07054	51.1
83.04965	4.5
83.08624	37.5
83.65083	1.7
85.02907	57.3
85.10193	3.6
87.04447	3.7
91.03959	37.1
91.05470	6.6
93.07041	24.2
93.29848	1.8
95.04945	2.3
95.08604	47.2
97.02296	3.4
97.02895	53.0
97.06527	6.7
97.10171	24.2
99.04467	20.0
101.02361	8.3
103.03946	23.0
105.07003	5.4
107.08595	15.4
109.02877	28.0
109.10159	21.1
111.04407	2.6
111.08060	4.8
111.11710	8.8
115.03923	6.2
117.05452	4.0
119.08560	2.5
121.10158	27.3
123.11703	8.0
125.09605	2.9
125.13264	2.3
127.03926	37.3
129.05469	5.7
135.11691	21.0
137.13217	3.5
141.05461	2.6
145.04941	8.7
149.13258	7.3
151.14804	2.4
153.12788	2.2
159.06502	5.2
163.14832	3.7
171.06522	3.4
177.16371	3.9
183.06525	11.6
187.14781	2.1
201.07607	6.9
247.24184	16.3
265.25266	38.5
321.74350	2.3
331.26315	2.1
339.28943	100.0
340.29144	2.7
367.28589	4.1
367.36383	2.2
373.27112	2.9
409.29550	19.1
483.33093	5.5
501.33481	16.3
501.41544	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	501.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21026	1.8
53.03941	6.0
55.01874	3.5
55.05313	1.6
55.05515	21.0
57.03188	2.8
57.03445	25.7
57.07066	3.3
60.72250	2.3
65.03946	2.5
67.05511	47.3
69.03417	2.4
69.07079	13.4
71.01364	2.8
71.04987	5.1
71.51602	2.7
73.07989	2.0
75.25230	1.6
79.05502	55.1
80.08444	2.0
81.03407	4.0
81.07065	43.8
83.04980	4.6
83.08630	16.0
85.06522	2.9
85.10217	2.0
91.05488	35.4
93.07051	71.0
95.04988	3.6
95.08617	33.9
97.06563	2.5
97.10184	2.1
105.07044	24.6
107.04931	1.8
107.08593	19.1
109.06527	2.2
109.10166	10.5
114.47454	2.0
115.05497	1.9
117.07014	11.5
119.08592	18.6
121.10150	39.8
122.88491	2.1
123.08081	2.2
123.11719	1.8
129.07028	6.8
129.45807	2.2
131.08566	20.2
133.10162	11.4
135.11734	10.3
139.11177	8.1
143.08601	9.2
145.10132	16.8
147.11702	8.9
149.09633	3.3
149.13274	5.5
155.08627	3.7
157.10144	7.3
159.11681	10.6
161.13351	4.3
167.10696	5.5
169.10127	6.5
171.11723	8.8
173.13246	8.7
173.14575	1.8
175.14828	2.0
183.11719	3.8
185.13220	3.2
187.14883	3.7
195.11841	2.4
197.13290	2.8
199.14905	4.1
211.14993	2.3
229.95490	1.9
243.20959	2.8
261.22238	5.1
311.23785	2.4
391.29773	3.5
409.31146	9.5
427.32065	4.1
483.34708	3.1
501.35788	100.0
502.36316	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	501.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21026	1.8
53.03941	6.0
55.01874	3.5
55.05313	1.6
55.05515	21.0
57.03188	2.8
57.03445	25.7
57.07066	3.3
60.72250	2.3
65.03946	2.5
67.05511	47.3
69.03417	2.4
69.07079	13.4
71.01364	2.8
71.04987	5.1
71.51602	2.7
73.07989	2.0
75.25230	1.6
79.05502	55.1
80.08444	2.0
81.03407	4.0
81.07065	43.8
83.04980	4.6
83.08630	16.0
85.06522	2.9
85.10217	2.0
91.05488	35.4
93.07051	71.0
95.04988	3.6
95.08617	33.9
97.06563	2.5
97.10184	2.1
105.07044	24.6
107.04931	1.8
107.08593	19.1
109.06527	2.2
109.10166	10.5
114.47454	2.0
115.05497	1.9
117.07014	11.5
119.08592	18.6
121.10150	39.8
122.88491	2.1
123.08081	2.2
123.11719	1.8
129.07028	6.8
129.45807	2.2
131.08566	20.2
133.10162	11.4
135.11734	10.3
139.11177	8.1
143.08601	9.2
145.10132	16.8
147.11702	8.9
149.09633	3.3
149.13274	5.5
155.08627	3.7
157.10144	7.3
159.11681	10.6
161.13351	4.3
167.10696	5.5
169.10127	6.5
171.11723	8.8
173.13246	8.7
173.14575	1.8
175.14828	2.0
183.11719	3.8
185.13220	3.2
187.14883	3.7
195.11841	2.4
197.13290	2.8
199.14905	4.1
211.14993	2.3
229.95490	1.9
243.20959	2.8
261.22238	5.1
311.23785	2.4
391.29773	3.5
409.31146	9.5
427.32065	4.1
483.34708	3.1
501.35788	100.0
502.36316	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	501.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.2
53.03945	2.8
55.01876	2.5
55.05514	17.1
57.03444	23.0
57.07079	2.3
65.03944	3.7
67.05509	49.2
68.14489	1.3
69.03406	1.1
69.07079	13.9
69.65427	6.3
71.01351	2.9
71.04993	2.0
71.48524	1.1
79.05501	53.6
81.03416	2.9
81.07064	42.9
81.30930	1.0
83.04974	3.4
83.08630	14.8
85.06546	2.8
91.05489	31.7
93.07050	59.6
95.04951	6.2
95.08617	32.8
97.06537	5.1
97.10184	3.2
99.08113	1.2
101.14825	1.2
105.04502	2.9
105.07051	17.8
107.04983	1.6
107.08602	19.8
109.06489	1.6
109.10165	10.2
111.08091	1.2
116.38985	1.3
117.07035	11.2
119.08595	18.8
121.06538	1.7
121.10155	31.6
123.08063	2.3
123.11735	3.0
128.06255	1.3
129.07040	6.4
130.07886	1.8
131.08588	23.2
133.10144	14.7
135.11713	10.7
139.11183	7.2
141.07062	2.8
142.07776	2.0
143.08562	10.5
145.10120	14.2
147.11740	5.2
149.09673	2.3
149.13249	5.1
155.08577	3.4
157.10149	6.8
159.11693	11.5
161.13260	4.1
163.14810	1.4
167.10695	3.4
169.10159	2.3
171.11676	6.7
173.13277	8.9
175.11180	1.7
175.14822	2.2
181.10097	1.7
183.11719	2.4
185.13251	5.6
187.14841	2.9
195.11711	1.6
197.13283	3.0
199.14841	3.4
209.13286	2.6
211.14790	2.3
223.14920	1.9
232.61046	1.4
241.19525	1.6
243.21158	1.7
261.22079	6.3
297.22357	1.9
311.23666	1.7
389.26871	1.4
391.29929	3.9
403.28552	1.7
409.31003	10.1
427.31964	1.9
483.34863	6.8
501.35751	100.0
502.36325	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	501.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18708	1.1
53.03944	2.0
55.01879	1.6
55.05516	15.0
57.03439	7.3
57.07062	1.5
58.06601	6.4
60.04512	1.8
62.16965	1.6
65.03927	1.5
67.05182	1.9
67.05511	25.8
69.07077	12.4
69.65279	4.1
69.65700	3.1
71.04993	3.3
71.69942	1.0
76.43677	1.0
76.90520	1.1
78.16919	1.2
79.05500	28.6
81.07056	25.0
83.04990	3.2
83.08614	9.2
85.06528	1.8
91.05491	20.6
93.07050	34.5
95.04961	3.9
95.08611	23.2
95.85525	1.1
96.08951	1.8
97.06528	2.5
97.10146	2.3
100.07635	1.6
104.86787	1.0
105.04529	1.2
105.07037	18.9
107.08608	16.6
109.10157	10.6
111.08107	2.3
115.05464	1.6
115.70593	1.2
117.07028	10.7
119.08583	14.3
121.10156	21.0
122.10502	1.2
123.08098	1.8
123.11714	3.9
125.09647	1.3
128.06216	1.3
129.07019	7.6
131.08582	20.6
133.10146	14.7
135.11684	6.3
139.11208	3.2
140.48593	1.2
141.06990	1.5
142.07758	1.3
143.08577	9.2
145.10135	17.2
147.11688	9.6
149.09683	1.4
149.13290	3.2
151.07533	2.2
155.08565	4.8
156.09337	1.3
156.79315	1.2
157.10120	8.1
159.11708	13.7
161.13281	5.4
163.14838	1.6
167.08467	2.1
167.10692	1.3
169.10126	5.0
171.11688	7.9
173.13264	9.4
175.14771	1.8
181.10124	2.4
183.11729	4.6
185.13246	5.6
187.14865	6.4
188.15215	1.3
189.16460	2.2
195.11658	3.0
197.13272	3.8
199.14818	3.7
201.16286	1.9
209.13268	1.9
211.14867	3.1
213.16412	2.5
214.16782	1.1
223.14832	2.4
225.16318	2.1
237.16347	2.8
239.17853	1.4
261.22198	3.1
285.22055	1.4
297.22134	3.2
307.20511	1.3
311.23651	1.3
317.96155	1.4
391.30020	5.7
409.31067	15.2
427.31985	3.6
442.37317	3.5
445.33035	1.2
483.34839	9.2
501.35654	100.0
501.41476	20.7
502.35928	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	501.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01859	4.5
55.05516	62.5
57.03451	35.2
57.06828	5.2
57.07082	52.9
67.05187	4.7
67.05514	69.7
69.03423	3.6
69.07075	88.1
71.04998	4.9
71.08645	34.2
75.04476	13.1
76.93357	3.4
79.05494	27.6
81.07059	89.6
83.04996	4.0
83.08155	4.7
83.08622	65.5
85.06533	4.5
85.10183	15.1
89.06035	2.5
91.05463	8.4
93.07050	40.5
95.08617	100.0
97.06527	19.4
97.10172	39.7
99.08150	4.1
105.07023	5.9
107.08605	30.4
108.59949	3.8
109.10165	43.5
111.08087	10.1
111.11745	15.9
113.05997	4.5
115.07536	3.5
119.08560	4.6
121.10163	34.4
123.11681	19.2
125.09650	12.2
127.79037	2.9
129.09079	4.1
131.07132	7.5
133.10161	4.2
135.11687	30.3
137.13246	13.1
139.11195	9.8
143.10672	3.6
147.11659	3.4
149.13287	19.6
153.12735	7.3
159.32196	3.0
161.13217	6.3
163.14824	9.0
167.14311	6.0
171.13857	3.1
177.16400	9.4
181.15907	4.7
185.15286	4.0
185.62798	2.9
191.17990	5.9
195.17458	4.2
228.41577	3.2
237.22119	4.9
269.16501	3.1
289.28949	10.7
307.29773	18.4
317.28323	18.7
335.29434	37.7
345.42944	3.4
371.31647	94.5
398.30743	3.8
409.33142	50.8
409.38126	6.1
427.34265	70.9
483.36984	23.8
501.37958	57.4
502.37933	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	502.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.7
56.89913	6.1
64.32444	5.9
67.05508	62.2
69.07063	10.9
71.51667	6.0
73.02908	27.2
79.05504	45.7
81.07064	76.6
83.08618	8.7
85.06551	9.2
91.05491	19.5
92.72031	7.0
93.07044	47.8
95.08625	56.5
101.55818	5.5
105.07013	20.8
105.25134	5.9
107.05035	5.7
107.08629	36.5
109.10171	32.6
116.81754	6.1
117.06989	12.7
119.08562	19.1
121.10165	30.0
123.11678	17.2
126.06646	32.0
131.08577	21.0
132.44511	4.9
133.10138	10.8
135.11691	22.1
141.38698	5.4
145.10156	12.9
147.11708	14.9
149.13245	13.1
159.11716	17.2
161.13240	11.5
163.14790	16.6
173.13269	23.9
175.14857	6.7
187.14803	6.6
228.23169	10.0
243.21112	23.2
256.26285	9.3
261.22186	100.0
335.25818	37.6
345.28452	6.8
353.26849	25.5
384.94519	7.1
455.27859	5.9
502.33124	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	503.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01870	0.9
61.02938	0.8
64.22564	0.7
66.04723	0.8
69.03436	3.5
69.30690	4.8
70.06593	3.1
71.05002	0.8
71.71452	0.7
72.08154	0.8
78.20896	0.6
79.05515	1.6
81.03419	1.9
81.07063	0.9
84.08136	1.8
85.02911	6.7
86.09715	2.2
91.05470	4.8
94.04174	3.5
95.04940	1.2
97.02889	2.2
98.20721	1.2
99.04485	1.0
103.05458	1.5
105.04453	0.7
105.07030	5.7
107.04956	2.4
109.02880	1.9
109.06505	2.0
110.07220	0.7
111.04437	0.8
115.05459	3.6
117.07014	1.6
119.04990	1.2
119.08553	1.6
120.08129	1.1
121.06550	0.9
122.03654	6.6
127.03942	1.9
129.07033	2.4
131.04967	1.9
132.05754	2.0
133.06488	4.5
137.05986	100.0
138.06334	1.6
138.45955	0.8
141.06984	1.4
145.05127	0.8
145.06487	1.9
146.03635	1.3
147.04420	2.5
147.08061	2.5
149.05940	2.0
151.03926	0.9
151.07617	1.2
159.08083	3.0
160.05171	0.9
161.05994	17.7
163.03946	3.0
163.07562	1.5
167.07013	3.3
171.08118	0.7
172.05217	1.4
175.07544	27.4
175.09045	1.4
179.07048	1.1
184.05228	1.4
187.07553	10.6
189.07028	0.8
190.07835	1.8
191.07042	1.4
191.08549	5.7
196.10779	0.8
199.07530	9.4
202.07837	2.3
203.08549	6.1
205.79393	0.8
207.08134	0.9
214.12791	0.8
217.08508	1.2
218.07228	1.6
219.08052	9.0
220.08849	1.5
229.07555	0.9
230.07265	1.0
231.08086	5.1
232.08829	0.9
235.07382	1.0
236.08362	1.5
237.09346	0.9
247.07613	5.1
248.08287	3.7
249.09052	1.3
251.10667	11.9
254.79758	0.8
259.07642	3.5
260.08289	1.3
261.09134	1.4
263.10730	3.5
264.07858	1.4
265.08658	1.5
276.07864	2.1
277.08710	2.2
279.10254	10.3
280.10767	1.3
283.09848	1.0
291.10159	10.2
292.10974	2.8
293.08224	1.0
296.10425	1.2
311.12796	23.8
323.08960	1.0
323.12766	14.4
397.63882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
67.11459	1.0
69.03421	1.7
69.31181	5.4
69.31618	4.5
79.05467	1.3
83.06469	1.2
85.02905	5.0
91.05474	4.0
92.37316	1.0
94.04171	4.0
97.02893	3.0
101.73518	1.1
103.05511	1.8
105.07038	5.8
107.04958	2.5
109.06497	1.7
115.05466	3.1
117.07021	1.1
119.08594	2.3
119.42606	1.0
122.03661	7.6
127.03867	1.3
128.06244	1.7
129.06995	1.4
132.05716	3.6
133.06512	4.9
137.05988	100.0
143.57610	0.9
147.08031	2.8
149.06009	2.6
156.26157	1.0
159.08083	2.6
160.05199	2.3
161.05984	13.0
175.07565	27.8
179.07036	1.2
184.05228	1.1
187.07555	10.2
190.07748	1.5
191.08572	6.2
199.07562	7.6
201.52809	1.1
202.07799	3.1
203.08604	6.3
208.08861	1.4
217.08708	2.0
218.07327	1.8
219.08061	9.8
220.08794	1.3
231.08037	6.4
232.08907	1.8
236.08237	1.3
247.07552	3.1
248.08284	2.9
251.10715	12.5
259.07562	3.7
261.09100	2.3
263.10681	3.2
265.08459	1.2
276.07877	2.3
277.08536	1.5
279.10175	8.9
283.09756	1.1
291.10120	9.1
292.11035	2.3
293.08347	1.3
295.13098	1.2
311.12814	21.4
323.12744	12.1
359.48331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50143	0.8
53.03947	1.5
55.01865	1.5
56.47282	0.7
57.03434	1.8
61.02915	1.9
66.04707	0.8
69.03432	8.2
69.55363	0.7
69.58064	0.7
70.64063	2.2
79.05487	2.5
80.51435	0.7
81.03410	2.8
81.07057	1.6
85.02916	15.7
87.04467	0.7
91.03951	1.1
91.05480	5.8
94.04185	4.1
97.02896	6.5
103.05449	4.5
105.07021	2.8
107.04946	1.5
109.02882	1.8
109.06515	1.9
114.71037	0.7
115.05454	5.0
117.07021	2.2
119.04938	1.3
119.08576	2.6
121.06485	1.0
122.03666	8.5
127.03916	4.6
128.06221	3.9
129.07053	1.8
131.04922	4.4
132.05704	2.7
133.06479	3.1
137.05984	100.0
141.06975	1.6
143.04869	0.9
144.05707	0.8
145.04982	2.2
145.06436	1.3
146.03676	1.0
147.04482	1.3
147.08041	4.7
149.05995	2.2
151.07561	1.2
156.05757	1.5
156.15309	0.7
157.06528	0.8
159.08022	1.8
160.05219	3.2
161.05981	11.0
163.07571	6.4
169.06479	2.2
171.08061	1.5
172.05089	0.7
175.07555	45.4
177.05542	0.7
177.09160	1.5
179.07140	0.9
184.05234	2.1
185.06195	0.8
186.06674	0.9
187.07536	7.7
190.07817	2.2
191.08594	4.8
199.07555	17.5
201.09094	1.8
202.07797	6.2
203.08583	8.7
205.06487	1.5
205.08536	0.8
217.08548	1.2
218.07246	1.7
219.08046	7.3
220.08868	3.3
231.08031	9.7
232.08821	2.4
235.07544	1.2
236.08434	1.2
247.07536	3.6
248.08313	4.8
249.09079	1.6
251.10703	7.4
259.07568	5.9
260.08328	2.4
261.09265	1.0
262.09814	1.1
263.10629	5.2
264.07950	1.1
265.08643	2.3
276.07785	2.1
277.08646	3.2
279.10138	6.3
280.10843	1.4
291.10132	11.8
292.10895	5.5
293.08167	0.9
295.13354	2.2
296.10583	0.9
297.11267	0.9
308.10400	1.7
309.11407	0.8
311.12811	18.2
323.12781	22.4
325.14392	1.5
438.24255	0.7
458.29568	0.7
503.23615	3.5
503.31854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01868	4.4
55.05504	4.8
57.03426	4.5
61.02964	1.6
65.03930	2.1
67.05495	5.2
68.99796	3.0
69.03429	15.7
69.07060	4.0
70.06578	5.2
71.01361	1.7
71.04996	9.4
72.08174	2.0
79.05476	7.0
81.03427	26.1
81.07070	8.4
83.04988	12.8
84.04483	1.9
84.08143	3.5
84.79508	1.7
85.02901	14.0
86.09664	2.8
91.05467	12.4
93.07047	5.2
94.04201	4.1
95.04956	9.7
95.08572	4.3
97.02898	10.8
98.20706	3.6
99.04450	4.9
100.11217	1.8
101.02302	1.7
103.05464	23.5
105.03362	2.2
105.07045	9.5
107.04948	7.8
107.08575	3.2
109.02880	17.1
109.06496	3.6
109.10175	5.6
111.04433	10.2
115.05439	3.9
117.07011	3.0
119.04955	3.5
119.08575	3.1
120.08069	2.1
121.06478	2.0
121.10138	3.4
122.03646	8.2
123.04459	2.2
127.03934	17.0
128.06230	2.4
129.05484	4.6
129.07004	4.6
129.10268	3.2
131.04037	2.9
131.04941	34.5
131.08536	2.5
133.06459	4.3
133.10149	2.1
135.04370	2.0
135.11668	2.0
137.05981	100.0
141.01822	2.6
141.06992	3.9
145.04958	2.5
145.06433	2.4
145.10080	2.2
146.03635	3.9
147.04404	4.8
147.07986	2.2
147.11606	2.1
149.05957	6.2
151.03900	7.8
151.07591	13.2
153.05571	1.7
157.06503	4.1
159.08057	4.9
161.05989	34.9
163.07538	33.6
167.07047	5.8
169.06465	2.8
173.05855	1.8
175.07579	11.0
177.05432	2.9
179.08531	2.0
187.07535	5.7
189.07140	1.9
189.09055	4.2
199.07539	1.9
201.09084	4.6
202.07791	2.5
203.08519	3.6
211.07512	3.0
213.03859	3.9
217.08485	3.3
219.08113	4.4
219.10167	4.8
225.08888	2.0
227.06984	3.4
229.59663	2.2
231.08046	3.2
235.07574	3.3
239.06982	2.8
240.07741	3.0
241.08649	1.8
247.07491	2.9
248.08469	3.4
249.09169	2.9
251.10777	4.0
253.08531	2.6
254.06555	2.1
259.07410	4.2
260.08374	2.7
261.09042	1.9
263.07010	3.4
263.10587	3.5
264.07748	2.7
265.08545	7.2
267.10196	2.7
270.08792	2.4
275.10638	2.5
276.07739	3.4
277.08511	3.8
279.10153	5.4
281.07834	2.2
282.08893	3.0
283.09610	6.4
291.10135	5.6
292.10733	3.5
295.09650	3.1
297.11539	14.3
299.06375	2.0
303.10144	2.9
307.09653	3.7
311.12799	5.5
313.08542	3.1
314.09024	2.6
323.09277	2.0
323.12671	6.1
324.07751	2.4
325.08441	3.7
326.09320	2.2
327.10196	4.4
328.10715	2.4
329.11511	3.5
333.11108	2.0
335.12982	10.1
337.07849	2.3
339.10150	3.5
340.07306	2.6
340.10928	3.9
341.08194	3.9
341.13861	3.0
342.08899	3.2
344.10382	3.8
347.50095	2.2
351.09845	2.0
355.09647	9.4
355.13446	3.2
356.10367	4.1
357.07327	2.1
357.11508	3.1
363.10129	2.2
367.09573	5.8
368.10333	5.8
369.11172	4.2
370.08267	2.8
371.12988	3.4
372.09915	5.7
379.15536	4.0
381.11130	3.1
383.09036	6.7
384.09781	5.7
385.10638	8.3
387.12338	3.4
393.14938	3.2
397.10675	7.5
398.11749	2.4
399.12415	10.9
400.09158	5.0
400.13589	3.4
411.12112	14.8
412.09113	2.7
413.09961	19.6
415.11755	27.2
423.11966	2.6
425.13739	6.5
427.11743	20.5
428.12466	23.6
430.14102	25.9
431.14838	4.4
432.15704	8.0
433.15979	2.6
438.14886	2.5
439.15231	2.9
442.14334	17.4
443.14935	76.9
453.17184	11.6
454.17941	2.6
457.16525	44.1
470.17001	2.2
471.18024	57.1
472.18222	3.3
485.19620	63.0
503.13480	3.6
503.19553	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	503.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.9
55.01875	1.1
55.05515	17.4
57.03435	2.1
57.07075	2.2
59.05005	1.4
59.38704	0.6
65.03945	4.5
67.05509	65.6
69.03423	1.5
69.07068	11.2
71.04996	7.3
71.25347	1.1
73.95984	0.5
79.05499	36.2
81.03426	0.8
81.07061	100.0
83.04987	1.7
83.08620	6.2
85.06554	9.4
89.06059	1.0
91.05484	23.0
93.07047	31.6
95.04968	2.6
95.08611	23.7
97.06534	1.9
97.10188	2.2
99.05721	0.7
105.04557	1.0
105.06322	0.8
105.07033	14.1
107.08602	15.6
109.06554	1.4
109.10155	11.0
111.08100	1.1
117.06995	4.1
119.08587	11.1
121.10158	15.9
123.08102	1.1
123.11720	14.6
125.09655	1.2
127.05079	0.6
129.07028	0.9
130.24832	0.5
131.08577	7.9
133.10143	15.6
133.11105	1.1
135.08104	0.6
135.11691	8.2
137.09727	0.7
137.13318	0.7
137.73392	0.5
139.11183	1.3
143.08585	1.4
144.37024	0.6
145.10149	5.3
147.11662	5.3
149.13264	3.2
151.11200	5.4
153.12837	0.7
157.10149	1.6
159.11711	4.7
161.13219	3.5
163.14870	1.5
169.12270	2.5
171.11742	1.4
173.13310	3.5
175.14838	1.9
185.13321	1.4
187.13335	7.0
187.14955	1.7
188.85164	0.6
199.14815	1.1
201.16452	1.1
212.83662	0.6
227.16516	1.0
243.21208	1.2
261.22208	3.8
317.24780	1.1
393.31531	1.3
411.32724	3.0
429.33734	1.5
482.78094	0.7
485.36523	3.1
494.61603	0.6
503.37451	64.0
504.37753	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3732
Annotation	25-O-Methylcimigenol
Peak:m/z	Relative Intensity
53.03951	3.3
55.01863	0.6
55.05514	16.4
57.03432	2.3
57.07072	2.6
59.04990	1.0
65.03951	3.4
67.05506	60.5
69.03439	0.8
69.07071	10.3
71.02853	0.7
71.03194	0.9
71.04999	7.1
73.06566	0.9
79.05497	37.2
81.03374	0.7
81.07058	100.0
82.07397	0.6
83.04989	1.8
83.08620	6.1
85.06081	0.9
85.06553	11.3
91.05482	21.8
93.07045	31.7
95.04968	3.4
95.08614	20.3
97.06543	1.6
97.10139	2.9
97.63382	0.6
99.08129	0.6
103.05422	0.6
105.04502	0.8
105.07035	14.7
107.08591	16.6
109.06528	1.2
109.10162	11.3
111.08056	1.2
115.05463	0.8
117.07006	3.9
119.08589	10.5
121.10149	13.7
123.08028	0.8
123.11716	10.7
129.07054	1.6
131.08571	7.1
133.10136	15.9
135.11693	9.5
137.09598	0.7
143.08618	1.6
145.10120	6.9
147.11653	4.5
149.13252	3.9
151.11162	4.9
153.12733	1.4
157.10129	1.1
159.11699	4.7
161.13298	3.7
163.14854	1.3
169.12167	2.8
171.11725	2.1
173.13277	4.0
175.14847	1.9
185.13292	1.2
187.13287	8.3
187.14799	1.2
199.14778	1.0
201.16315	0.8
219.17523	0.7
227.16499	1.8
243.21230	1.0
251.57698	0.6
261.22205	2.7
317.24902	1.2
333.24344	0.6
393.31601	1.7
411.32593	3.8
429.33679	1.6
485.36157	3.8
503.37329	67.3
504.37738	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01864	1.1
55.05515	19.7
57.03439	2.4
57.07071	3.2
59.04996	1.5
65.03944	3.2
67.05508	68.6
69.03440	1.2
69.07066	11.2
69.37151	5.8
71.04994	7.7
71.08639	1.1
74.09743	0.8
77.03942	1.3
79.05495	37.1
81.03432	0.9
81.07059	100.0
83.04985	1.9
83.08619	8.7
85.06546	10.0
89.06020	1.1
91.05481	26.3
93.07050	35.5
95.04996	3.9
95.08609	25.9
97.02928	0.8
97.06535	2.9
97.10175	3.4
98.20757	1.5
103.05470	0.8
105.04490	1.2
105.07034	17.8
106.24953	0.9
107.08601	19.2
109.06544	1.0
109.10152	10.5
111.08098	2.0
111.11752	0.8
117.07016	6.3
119.08583	14.7
121.10152	16.5
123.08105	1.1
123.11710	14.2
125.09634	1.4
129.07043	0.9
131.08583	8.8
133.10143	17.4
133.11102	1.3
135.11699	10.9
139.11208	1.4
143.08553	1.6
145.10133	8.3
147.11697	5.0
149.09703	0.8
149.13264	4.3
151.06206	0.7
151.11153	5.0
153.12726	1.6
155.08604	0.9
157.10149	2.3
159.11707	5.7
161.13252	3.8
163.14853	2.1
169.10103	1.4
169.12285	2.2
171.11758	1.5
173.13278	4.6
175.14824	1.5
185.13252	1.8
187.13307	8.3
187.14816	1.7
227.16418	1.0
241.10204	0.9
243.21188	1.2
261.22098	3.5
333.24500	0.8
393.31628	2.3
411.32620	4.9
429.33606	2.4
485.36313	4.3
503.37418	72.3
504.37753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85763	2.3
53.03933	6.1
55.01861	10.7
57.07076	6.1
59.04995	2.5
61.43839	2.6
62.81425	2.2
67.05499	3.7
69.03419	9.5
69.07062	9.8
70.02950	8.6
70.06587	2.6
70.49078	8.6
72.04512	18.3
73.02904	11.9
81.03419	18.8
83.04962	7.2
85.02893	7.3
85.06538	8.9
86.09703	10.9
87.04550	2.7
90.05552	37.9
95.04968	6.1
96.08121	3.6
97.02892	9.7
97.38537	2.4
98.02412	27.1
99.04440	3.8
100.04003	6.1
103.07584	3.6
109.02873	25.5
113.05984	7.1
116.03441	20.6
124.07590	23.9
127.03915	10.8
132.06558	11.5
133.59627	2.4
137.05888	2.4
138.05473	3.7
142.08643	19.1
145.04955	8.4
158.04578	2.9
160.09683	2.7
166.08640	5.0
172.09650	4.9
174.11314	5.8
184.09669	35.5
198.07593	3.6
199.05943	3.5
202.08818	5.1
202.10736	100.0
203.11453	3.7
211.09651	10.1
216.08669	5.8
220.11826	23.0
230.10194	9.4
230.23651	2.9
231.06544	3.8
234.09718	7.4
244.11731	3.7
262.12827	23.9
310.12845	9.1
312.13162	4.1
322.15314	2.8
328.13919	57.0
346.14926	9.4
364.16122	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.1
55.01877	10.0
55.05516	15.5
59.54622	5.4
67.05511	38.9
69.03433	39.7
69.07065	19.5
71.05310	14.5
73.00622	6.6
79.05497	27.6
81.03407	42.7
81.07058	82.5
85.02911	90.4
87.00833	21.6
91.05494	41.2
93.07049	67.7
95.08604	99.4
97.02916	38.0
99.04466	17.5
103.05549	7.9
105.01872	26.0
105.07048	95.8
107.04978	15.0
107.08599	88.0
109.02886	30.2
109.10162	55.3
112.52953	6.5
119.08585	76.6
121.10112	31.7
123.11732	19.7
125.09666	6.6
127.03932	48.4
133.10141	42.8
135.11682	23.3
137.05998	34.6
145.04948	24.3
145.10071	11.9
147.04401	22.3
147.11687	73.2
153.26796	7.1
159.02907	25.5
161.13326	19.7
163.14896	12.8
165.12749	10.9
175.14926	13.1
203.17958	100.0
221.19063	7.5
225.62651	7.4
231.04919	11.4
279.10016	7.5
319.74811	6.8
457.42575	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	505.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41236	0.2
53.03955	0.3
55.01868	0.6
55.05513	4.0
57.03436	1.1
57.07079	0.8
59.24583	0.2
63.02381	0.5
67.05511	4.7
69.07081	2.4
70.71640	0.4
70.71973	0.3
71.08633	0.7
72.97420	0.2
73.16836	0.2
78.04740	0.4
79.05494	2.8
81.03432	0.4
81.07058	4.2
81.07527	0.3
83.04987	0.5
83.08627	2.5
83.97623	0.2
86.01653	0.2
89.03920	5.2
89.04423	0.4
91.05481	1.8
93.07048	2.6
95.04988	0.3
95.08606	2.3
97.06513	0.5
97.10174	2.5
98.66554	0.3
98.98470	0.3
105.07038	1.3
106.04153	0.4
107.08616	2.1
109.10159	1.0
111.08072	0.4
117.03387	18.0
117.07005	0.6
117.39381	0.3
119.08576	0.5
121.10126	1.4
123.11687	0.4
125.09649	2.1
131.08586	0.3
133.10196	0.4
134.02769	0.3
134.03667	0.9
135.04399	0.9
135.11691	1.1
145.02853	43.1
145.10117	0.4
146.03148	0.4
147.11720	0.3
147.70755	0.3
149.05991	5.2
149.13324	0.4
158.06102	0.3
159.11743	0.5
163.03926	0.9
173.13271	0.3
177.05479	100.0
178.05878	1.3
186.05467	2.1
189.11235	1.0
195.06543	1.4
227.12823	2.0
243.21227	0.3
261.22263	0.8
268.93457	0.3
317.24734	0.3
353.99081	0.2
357.53986	0.3
393.65402	0.2
471.70081	0.2
487.33661	0.4
505.16248	0.3
505.30341	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77242	1.0
57.03440	2.1
69.03407	1.0
69.63351	0.8
70.97087	2.4
71.04995	17.1
72.68523	1.0
83.04985	3.2
85.02904	24.9
101.94546	1.1
111.04415	1.7
121.02872	1.9
129.05486	9.1
133.02827	2.3
135.04417	1.8
147.06525	4.5
149.02345	100.0
163.03908	66.1
163.05952	1.6
164.09129	2.2
175.99840	1.2
181.04958	34.7
211.13341	0.9
238.25095	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98652	0.4
52.51999	0.3
55.01857	0.3
57.03438	0.9
61.02928	1.0
63.05758	0.4
65.03949	0.9
69.03429	2.1
70.49045	1.1
81.03412	1.0
85.02905	11.6
87.04446	0.4
89.06027	0.7
91.03969	0.5
91.05482	6.3
95.04956	0.4
97.02884	2.7
99.04478	0.3
109.02890	1.0
119.04945	18.0
123.04431	1.0
127.03944	1.9
145.04964	3.1
147.04413	100.0
148.04756	1.2
152.04066	0.3
163.06038	0.9
165.05481	48.4
169.30879	0.3
169.49651	0.3
180.08662	1.3
182.08148	0.4
230.24582	0.3
309.09628	0.5
327.20236	0.6
344.13187	0.5
471.32382	0.3
504.58136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
56.05019	0.5
57.03438	0.3
58.06618	0.4
59.07397	0.4
60.07885	0.4
60.08165	5.7
62.40144	0.3
67.05498	0.9
69.07073	0.4
71.07375	2.7
71.26646	0.5
71.27023	0.3
81.07044	0.8
86.09706	33.6
91.05492	0.5
93.07043	0.6
95.08594	0.8
98.98463	4.1
104.10734	2.3
105.07030	0.6
107.04932	0.7
107.08595	0.4
125.00003	22.6
131.04965	1.6
156.26556	0.4
184.07339	100.0
185.07693	0.4
191.75993	0.3
488.31250	1.1
506.32352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
56.05030	1.3
57.03425	0.5
58.06598	1.6
59.07396	0.4
59.90907	0.3
60.08165	16.6
67.05518	2.7
69.07068	1.3
70.75665	0.8
71.07378	7.0
71.08632	0.3
79.05473	1.0
81.07051	4.2
83.08634	0.7
84.08144	0.3
86.09708	52.3
91.05469	1.2
93.07056	1.1
95.05013	0.4
95.08603	2.0
98.98474	3.8
99.69823	0.4
103.05490	0.4
104.10747	98.6
105.07055	1.4
107.08585	0.9
109.10139	1.1
119.08567	1.0
121.10112	0.7
125.00008	29.4
129.95320	0.4
131.04958	1.5
133.10110	0.8
135.92938	0.3
161.13274	0.4
163.01645	0.4
184.07346	100.0
258.10995	1.3
263.06073	0.4
323.26053	0.7
488.31348	8.9
506.32422	28.3
507.32422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	3.8
56.05000	1.7
57.07058	1.6
58.06601	2.1
60.08167	16.3
60.75786	1.2
67.05502	15.6
69.07057	5.4
69.94460	4.0
71.07396	7.0
71.07698	1.5
79.05488	4.2
81.07068	17.3
83.04984	1.4
83.08613	2.3
86.09713	54.3
91.05470	5.4
93.07037	6.6
95.08617	14.3
97.06549	1.4
98.98454	4.7
99.08092	1.7
103.05470	4.1
104.10751	93.6
105.07021	2.7
107.04945	2.0
107.08584	3.3
109.10134	5.2
119.08573	4.0
120.08096	3.0
121.10149	4.5
123.11703	3.0
125.00017	27.3
131.04958	10.1
133.10121	4.1
135.11696	1.6
137.13257	1.6
137.40817	1.2
147.11720	1.9
161.13226	2.8
184.07350	100.0
202.54350	1.2
208.53374	1.4
217.19447	11.1
217.20958	1.0
235.20596	12.3
309.24448	6.7
446.16959	2.1
488.31268	6.6
506.26312	1.6
506.32477	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	506.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89545	0.3
53.03932	1.4
55.05276	0.5
55.05514	7.0
56.05043	4.4
57.07079	3.1
58.06590	0.7
60.04532	2.6
65.03924	1.0
67.05508	12.5
67.22327	0.3
68.05021	1.3
69.06737	0.4
69.07075	6.6
69.52832	2.3
70.06593	2.1
71.08614	1.2
79.05498	10.6
80.05022	3.4
81.03400	0.4
81.05798	1.7
81.07061	10.4
82.06582	7.5
83.08634	4.4
84.08138	0.4
91.05484	8.2
93.06495	0.5
93.07052	9.6
94.06577	18.7
95.04961	1.2
95.07356	8.5
95.08611	8.1
96.07573	0.4
96.08138	5.1
97.10162	2.8
98.06083	0.6
98.21519	0.4
105.04504	0.5
105.07039	6.2
107.07348	0.6
107.08594	6.1
108.08115	2.5
109.09482	0.4
109.10172	4.4
111.11727	0.6
119.08594	5.6
121.08842	0.5
121.10152	6.4
122.09687	2.3
123.11745	2.0
133.10144	3.6
135.10625	0.6
135.11668	3.1
136.11215	0.8
137.13246	0.6
142.87872	0.3
147.11671	1.3
149.13274	1.0
154.15833	0.4
161.13235	1.0
163.14848	1.2
165.16435	0.6
175.14854	0.8
177.16353	0.5
191.17981	0.6
205.19533	4.8
217.19522	4.3
219.21036	0.4
222.22180	10.7
234.22176	100.0
235.20494	0.7
235.22527	0.9
238.67017	0.4
248.23804	2.8
252.20624	0.6
252.23247	11.7
254.24814	1.1
262.25281	0.5
266.24744	0.4
272.25870	4.8
338.30142	0.3
347.15103	0.3
476.44644	2.1
488.44611	6.1
506.45776	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	507.1082
Annotation	Protohypericin
Peak:m/z	Relative Intensity
52.25670	0.2
52.71038	0.2
60.08143	0.3
64.87264	0.2
67.05497	0.3
69.74961	1.3
70.06596	0.2
74.44405	0.2
81.07045	0.5
86.09711	1.4
89.33197	0.2
98.20780	0.4
101.53248	0.2
103.05447	0.3
109.10078	0.2
125.00002	0.9
131.04919	0.7
133.10101	0.4
184.07353	3.4
331.07632	0.3
338.09665	0.3
347.07065	0.5
348.07825	0.5
349.08469	0.3
351.06525	0.5
359.06912	0.3
361.08636	0.4
364.07343	0.6
365.08289	0.5
375.06476	0.9
376.07422	0.5
377.08124	1.2
379.06104	0.2
387.06491	0.9
388.07422	0.7
389.08047	0.5
390.09073	0.6
391.09708	0.8
392.06491	1.0
393.07547	1.0
394.08386	0.7
401.08090	0.4
402.08972	0.8
403.05557	1.4
404.06720	1.0
405.07571	0.8
407.09341	1.5
416.06989	0.4
417.07617	1.0
418.04034	0.2
418.08585	2.0
419.09555	1.1
420.09888	0.7
421.07025	1.1
422.07520	0.5
423.08884	0.6
430.08405	1.2
431.05533	1.9
431.09796	1.0
432.06186	2.5
433.06915	0.5
435.08545	1.1
436.09637	0.6
445.07178	0.7
446.07813	1.7
447.08810	1.7
448.05200	0.7
448.09970	0.9
449.06482	0.6
450.07245	0.6
451.12213	0.4
460.05887	0.7
461.06653	0.4
463.08286	0.8
464.08905	1.3
474.07358	6.1
475.08182	5.1
476.05469	0.5
479.11691	0.6
491.07709	3.6
492.08356	3.7
507.10794	100.0
508.11111	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	507.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.0
55.01870	2.2
64.59813	1.1
65.03938	3.3
66.70004	1.1
67.05479	1.5
69.03428	1.4
69.07066	1.4
70.06565	1.9
71.51015	2.1
72.93042	1.0
79.05485	2.3
81.03423	3.4
81.07047	3.5
85.02907	1.8
91.05483	34.1
93.07040	3.1
94.04201	6.3
95.04957	4.0
95.08597	3.0
103.05484	3.2
105.07048	3.1
107.04946	6.9
107.08618	1.3
109.02859	2.4
109.06512	3.5
115.05487	2.8
117.07053	1.5
119.04945	21.5
119.08611	1.4
119.44882	1.3
121.06538	2.9
122.03653	5.9
123.04477	2.7
127.03931	3.3
128.06206	2.9
129.07031	3.4
131.04939	5.7
135.04431	2.8
136.05194	2.3
137.05980	100.0
138.06328	1.7
139.05379	1.7
143.04884	1.2
145.06485	2.7
147.08043	1.6
149.05986	16.2
151.03934	5.3
151.07545	73.6
153.05449	1.8
157.06503	3.4
160.05186	2.2
161.05969	4.3
163.07582	2.0
167.04968	1.5
167.07063	1.7
173.06027	1.7
174.06828	1.9
175.07568	15.1
177.05534	2.4
179.06976	1.6
181.06473	1.9
184.05222	2.9
187.07552	5.8
189.09076	1.9
193.06534	1.5
193.73730	1.4
195.08162	2.1
198.06732	1.5
199.07542	43.6
203.08585	3.2
205.08662	2.1
206.07335	1.3
209.06006	1.3
210.06689	1.3
211.07552	4.3
212.04681	3.1
213.09126	3.4
217.08615	1.3
219.08122	1.4
221.05925	2.7
225.09152	2.2
229.08487	1.4
231.08087	5.7
232.08810	2.5
235.07425	1.4
241.08549	2.0
247.07388	2.3
248.08368	5.7
248.32164	1.6
249.09146	2.1
251.10767	2.0
253.08690	2.3
259.07788	1.2
259.09750	12.4
260.08401	3.4
262.06229	2.1
262.09863	1.6
263.10651	5.1
265.08603	2.9
275.10794	3.3
276.07800	3.3
277.08578	6.9
278.09253	3.7
285.11292	6.1
289.08646	2.4
290.09451	2.4
291.10144	22.5
292.10968	2.4
294.08902	1.9
295.09805	2.0
297.11252	2.3
299.09100	1.5
302.09354	1.8
303.10187	5.9
304.10931	1.8
305.11691	4.5
306.08984	3.1
307.09610	4.6
307.13126	2.3
308.10529	2.0
309.11310	4.4
311.12573	1.8
315.10211	3.3
316.10886	1.6
320.10449	2.1
321.11258	14.7
323.12775	19.2
332.10458	1.4
333.11331	1.8
335.12802	20.6
337.14349	4.1
347.12698	5.8
351.12186	3.7
352.13052	3.6
365.13730	4.0
418.14075	9.0
419.14807	1.7
421.16849	1.5
431.14978	1.9
438.78543	1.6
439.15048	2.5
457.16043	2.1
459.18311	9.3
471.18103	3.5
489.19370	7.8
507.17007	2.9
507.29211	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	507.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.6
57.03436	4.6
57.07079	17.0
61.12203	0.6
65.43995	0.6
67.05513	7.2
69.03424	0.7
69.07069	3.7
71.08637	11.5
71.20246	1.4
73.02879	0.7
73.97183	0.6
79.05479	1.8
81.07058	7.0
83.04998	0.8
83.08620	3.5
85.09811	0.5
85.10197	6.2
89.06019	2.5
90.80215	0.5
91.05470	1.4
93.07032	2.3
95.08057	0.8
95.08618	8.3
97.06578	0.9
97.10175	2.4
105.07056	1.5
107.08582	2.4
109.10147	4.5
110.14581	0.5
111.11777	0.6
114.03042	0.7
115.03712	1.5
119.08558	0.8
121.10114	1.4
123.11738	1.4
125.09647	1.2
131.08556	0.6
133.08588	1.0
145.10136	0.8
147.11649	0.7
156.97485	1.1
171.11601	1.0
174.98520	1.1
176.99261	3.7
195.00317	100.0
213.00169	1.1
229.14282	0.6
239.23782	0.7
249.16522	0.6
257.24911	1.1
269.04016	0.7
313.27390	29.7
353.51096	0.7
434.71277	0.7
507.26971	10.9
507.34445	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.8
53.45335	4.7
55.05522	30.2
57.07078	15.1
67.05511	41.0
69.03440	9.3
69.07082	38.7
71.05006	11.5
71.51054	5.9
73.08550	6.9
79.05505	31.6
81.03448	5.9
81.07066	100.0
83.04953	9.5
83.08627	21.2
83.97758	5.5
85.02891	9.2
85.06546	21.1
91.05466	25.9
93.07048	42.2
95.04986	15.4
95.08618	81.3
97.06526	5.9
97.10180	18.4
99.04475	10.6
102.06557	5.5
105.07040	44.8
107.04974	14.8
107.08602	50.3
109.06519	9.0
109.10168	51.6
111.08050	6.4
111.11733	11.3
119.08586	27.5
121.06488	11.5
121.10135	28.3
123.11721	32.3
125.09657	10.9
125.13268	5.1
126.65477	5.9
131.08609	11.0
133.10129	16.2
135.11729	17.6
137.05978	31.7
137.09689	6.0
137.13266	10.6
143.08614	7.4
145.10155	15.9
147.11711	13.1
149.02464	6.0
149.09630	9.1
149.13255	27.7
151.07538	9.0
155.08501	5.3
157.10213	11.4
159.11726	12.7
161.09641	6.5
161.13327	9.0
163.14893	11.3
164.95422	5.6
167.07150	6.4
169.10086	6.8
171.11620	6.0
177.16420	7.0
183.11742	6.1
197.30316	7.2
241.15695	5.6
251.82281	5.4
273.25995	5.6
279.26691	10.3
291.26779	11.1
297.27911	7.4
309.27960	14.9
438.97379	5.6
471.33191	6.2
507.29440	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	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01880	2.4
55.05269	2.7
55.05514	30.5
57.03438	7.3
57.07080	11.9
59.05006	2.1
65.03938	3.5
66.92007	1.6
67.05510	100.0
69.03405	2.5
69.07072	20.0
69.49612	5.5
69.50036	6.0
71.04990	5.0
71.08629	6.8
79.05494	32.4
81.07059	73.3
83.04966	4.6
83.08628	18.0
85.06530	3.8
85.10202	2.4
87.32309	1.6
91.05488	24.1
93.06481	3.2
93.07051	43.9
95.04945	2.9
95.08612	52.1
97.06522	4.3
97.10161	13.0
98.20701	3.0
105.07027	19.0
107.04941	3.3
107.08592	27.6
109.06509	2.3
109.10162	69.6
111.08061	3.9
117.07004	5.5
119.08591	19.4
121.10146	21.1
123.08081	2.4
123.11723	9.7
124.39252	1.4
125.09628	13.3
129.06976	3.2
131.08580	17.5
133.10133	13.8
135.08064	3.3
135.11699	14.3
137.13239	3.4
139.11185	2.4
143.08545	2.2
145.10146	13.6
147.11682	8.8
149.13330	8.9
153.09108	3.3
155.10655	4.0
157.10136	3.1
159.11705	11.2
159.75830	1.8
161.13260	5.0
163.14806	3.4
171.10249	1.8
171.11668	4.0
173.11731	14.6
173.13280	10.4
175.14905	3.6
176.99265	10.8
177.16400	2.3
183.11710	2.5
185.13208	3.0
187.14813	6.1
189.11267	6.6
195.00317	18.3
195.13843	2.5
197.13315	1.7
199.14832	2.4
211.14841	1.8
213.96819	1.6
225.16623	2.2
227.12823	8.6
229.14363	35.1
233.15509	1.7
243.21088	4.6
259.20657	3.0
261.22153	32.4
263.23727	2.7
291.23199	1.7
311.24014	1.6
313.27451	8.6
317.24741	5.4
333.24060	2.4
335.25723	20.8
379.29947	2.3
397.30991	6.2
415.32196	9.6
433.33005	4.1
471.34729	2.8
485.68658	1.7
489.25455	1.9
489.35834	34.4
507.26862	30.7
507.36685	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	507.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04256	1.4
53.03954	3.1
55.01878	2.0
55.05269	2.3
55.05514	29.1
57.03439	9.3
57.07082	8.7
59.04992	4.0
65.03947	3.9
67.05511	100.0
69.03426	3.4
69.06734	1.6
69.07077	15.9
71.04980	5.1
71.08627	4.6
71.52047	2.2
79.05503	32.0
81.07063	70.0
83.05000	3.7
83.08622	14.6
85.06538	3.1
85.10177	1.7
90.84566	1.3
91.05492	23.5
93.07053	39.5
95.04978	4.9
95.08620	50.0
97.06525	5.3
97.10178	12.6
99.08079	1.9
105.07025	18.4
107.08606	26.9
109.06509	3.5
109.10171	64.2
109.10932	3.3
111.08091	3.5
113.09677	1.9
117.07016	6.8
119.08598	20.9
121.10152	19.3
123.08038	2.2
123.11709	10.3
125.09641	9.2
129.07008	2.7
131.08571	14.8
133.10144	15.8
135.08020	1.4
135.11705	14.2
137.09598	4.7
137.13249	3.8
139.11189	2.7
143.08556	4.7
145.10141	12.5
147.11670	11.2
149.09639	2.6
149.13307	8.4
155.08588	1.7
155.10658	4.8
157.10143	3.8
159.11687	10.0
161.13284	6.7
163.13437	1.5
163.14857	5.8
165.12817	1.7
167.10652	1.5
169.10085	1.8
171.11700	5.0
173.11736	16.1
173.13275	7.6
175.14854	3.7
181.12204	2.0
183.11681	2.3
185.13260	2.8
187.14810	4.6
189.11215	7.7
195.00336	3.1
197.13254	2.6
201.16327	1.8
221.15340	1.7
227.12744	10.9
229.14368	36.3
241.19502	2.0
243.21097	5.4
247.17026	1.7
249.18654	1.5
259.20728	1.9
261.22165	31.8
263.20160	1.7
263.23703	2.7
289.21548	1.5
299.20120	1.6
317.24710	3.5
333.24237	1.5
335.25818	24.8
379.29645	3.1
397.31122	7.8
415.32248	7.6
433.33179	5.2
450.26117	1.7
470.20880	1.5
471.34589	3.1
489.35751	32.9
507.28421	2.1
507.36069	25.1
508.36563	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65020	1.0
53.03938	4.1
55.01878	1.8
55.05272	1.3
55.05517	18.5
57.03428	3.9
57.07081	45.6
57.13084	1.0
65.03931	1.9
67.05508	59.4
69.03451	1.0
69.07074	26.1
69.43737	1.1
71.04987	3.5
71.08237	1.7
71.08636	34.2
78.47067	0.9
79.05499	30.5
81.03422	1.5
81.07061	80.4
83.04985	4.4
83.08627	24.0
85.06554	3.0
85.10187	16.8
91.05491	14.6
93.07046	43.2
95.04995	3.1
95.08614	44.0
97.06539	8.2
97.10177	9.7
99.08100	3.1
99.11763	1.2
105.07034	7.7
106.23886	1.2
107.08608	23.3
109.06496	1.9
109.10160	19.8
111.08074	6.9
111.11726	2.1
117.07023	6.2
119.08609	3.6
121.06540	1.4
121.10146	17.2
123.11710	7.6
125.09659	1.8
127.07552	1.1
131.08586	6.2
133.10146	4.9
135.11722	6.9
137.13240	3.0
139.11217	1.9
147.11702	1.7
149.09668	1.3
149.13271	28.2
157.10069	1.0
159.11700	14.3
167.14355	1.6
177.12753	5.2
195.13846	7.4
213.14813	1.2
221.15369	1.8
229.14673	2.1
239.23715	9.0
258.51984	1.1
414.70898	1.2
507.40506	100.0
508.41141	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59045	2.6
55.05518	20.4
57.03436	2.7
57.07081	9.2
60.08173	15.7
61.02935	4.0
64.94204	2.5
67.05515	22.0
69.07085	24.3
70.39446	4.7
70.39825	5.7
71.07372	4.7
71.08618	3.6
71.40204	2.4
78.81653	2.5
79.05499	13.4
81.07061	31.4
83.08630	24.8
85.02919	3.8
85.10209	3.0
86.09711	46.9
93.07066	17.4
95.08613	25.4
97.06537	5.8
97.10180	10.2
98.98494	5.1
103.05493	3.9
104.10760	94.3
107.08606	10.9
109.10179	8.7
111.08109	5.2
113.83128	2.5
121.10154	29.8
123.11724	8.8
125.00024	28.4
125.09673	2.8
131.04971	10.4
135.11723	25.7
137.13300	5.5
139.11183	3.5
149.13242	7.0
163.14792	2.9
184.07362	100.0
219.21091	28.2
227.16295	2.4
237.22169	45.9
255.23222	12.3
311.25769	40.2
325.27365	2.7
329.26834	11.0
490.33032	7.8
508.33817	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	508.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	30.6
57.07074	14.7
58.81833	4.8
61.02917	9.1
66.29302	5.9
67.05514	39.7
69.07072	42.9
69.31109	11.8
69.31515	45.6
69.85110	5.3
71.08634	12.2
79.05489	25.9
81.07056	50.6
83.08627	42.5
85.02900	8.5
86.09726	13.1
87.92753	5.4
93.07061	33.5
94.07407	6.7
95.08604	34.8
97.06559	15.9
97.10177	24.4
104.10727	8.6
107.08583	25.2
107.09308	5.7
109.10139	29.2
111.11718	6.5
121.10157	44.5
123.11732	11.7
125.00005	9.8
135.11731	31.0
137.13298	10.1
149.13321	16.4
163.03899	12.7
163.14857	7.2
184.07327	37.8
207.06517	17.6
219.21088	49.2
237.22105	91.6
255.23283	22.6
267.89822	6.7
311.25809	100.0
326.51767	6.6
329.26865	26.0
370.59827	7.2
426.82162	6.3
440.50381	6.6
472.62622	6.0
508.35867	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	509.0337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.5
69.50653	2.8
98.97573	1.8
101.00888	2.2
104.29491	0.4
116.98627	1.4
119.01929	4.4
124.54893	0.5
137.02982	0.6
140.98804	0.6
147.81017	0.4
158.99890	1.3
167.38907	0.4
176.17331	0.4
177.00961	10.6
183.00020	0.7
201.00937	2.7
216.98866	1.0
217.04114	2.9
217.99023	0.6
218.98744	0.6
219.02020	20.7
220.02112	1.1
225.00865	3.0
235.00038	2.0
236.00198	1.1
236.99902	1.3
240.99008	1.3
241.99022	1.1
242.99266	0.5
243.02010	14.6
258.99994	6.3
260.00110	4.1
261.03076	100.0
262.03290	4.7
263.03040	0.9
264.99081	0.7
266.03665	0.5
276.98099	0.7
277.00928	3.2
278.01190	1.5
279.00980	2.3
283.00003	11.9
284.00122	7.5
284.04626	1.4
284.99884	6.6
285.99936	0.8
298.97809	0.5
300.97653	0.7
301.01059	9.9
302.01160	6.9
303.00897	5.1
304.00928	1.0
304.50909	0.5
316.99057	0.6
318.99026	0.7
324.02924	0.5
358.96585	0.8
359.00589	0.6
360.00339	0.6
361.00018	2.4
366.98300	0.4
367.02332	2.8
371.48380	0.4
383.00009	1.7
385.03363	23.9
386.03363	1.1
400.48157	0.5
401.01437	3.3
402.01563	2.9
403.00171	4.5
403.05099	15.5
404.04684	1.1
407.99976	0.6
408.04861	0.7
425.01141	2.7
426.01315	3.2
427.01303	1.1
443.02609	2.7
444.02396	6.7
445.02225	2.2
446.50104	0.9
446.99664	0.8
456.00470	0.5
467.02509	0.4
485.00739	0.5
487.99634	0.6
499.49625	1.0
499.99277	1.1
500.97794	0.5
508.50006	0.9
509.03659	9.3
517.50348	0.6
527.01062	4.8
528.01233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
73.13919	1.6
79.05485	1.5
81.03415	3.1
81.07023	1.7
84.08184	1.7
88.37474	1.3
91.05483	17.4
98.20747	3.6
105.07021	2.0
107.04939	2.2
107.08576	1.6
109.02878	4.9
115.05452	2.4
117.07060	1.8
121.06513	6.2
121.10185	1.4
127.03919	11.5
129.67863	1.4
133.10117	1.4
145.06551	1.4
146.07251	3.1
147.08086	3.0
149.09628	1.5
151.07561	5.5
157.10031	1.5
158.09911	1.4
161.05981	4.2
162.06781	3.3
164.80594	1.4
169.04955	3.5
175.07545	1.8
177.09126	48.3
177.10690	3.1
177.61378	1.4
178.86424	1.5
189.09106	4.0
193.08621	3.8
201.09158	2.1
208.05267	1.7
219.08122	1.8
227.60156	1.4
231.10045	3.1
236.04791	1.4
247.07562	5.5
251.07085	9.8
255.10466	1.5
265.08618	3.4
277.08640	3.6
279.06506	14.8
287.07053	2.0
293.08133	4.8
301.08652	3.6
302.09509	1.9
307.06183	1.7
307.09946	1.5
317.08191	2.0
319.06015	5.2
329.08185	1.9
330.09277	2.0
346.09744	1.6
349.12317	2.0
359.10587	6.6
361.12332	2.5
362.09406	2.4
370.10159	2.7
371.10162	1.9
372.11469	1.9
373.08453	1.8
374.09213	2.7
375.10202	1.5
377.11838	7.9
385.08392	1.5
386.09116	1.8
387.10175	14.0
388.10886	7.0
389.11755	6.5
390.08737	3.0
399.10062	3.0
400.11285	2.9
401.12085	6.7
402.13040	7.3
403.13562	4.1
404.10059	2.7
405.11206	13.0
413.11859	2.5
415.09570	5.1
415.13748	4.4
416.10336	8.1
417.10782	16.5
417.16037	1.9
419.12775	2.5
420.13574	5.7
421.14645	7.6
429.11401	5.5
430.11996	9.4
431.12906	24.5
432.13971	10.1
433.10352	13.6
435.16476	7.6
445.14560	17.3
446.11353	3.0
447.02069	1.4
447.12567	14.6
448.13248	26.6
449.13855	4.9
451.12155	2.4
453.16620	6.6
459.12451	4.7
460.13290	4.6
461.10092	1.9
463.15475	77.4
464.16342	2.4
465.17349	3.4
466.13959	1.9
473.13547	8.9
474.93860	1.8
476.12875	3.6
477.13376	5.3
481.16501	47.8
482.17032	1.9
491.14944	32.5
492.15500	2.0
509.15991	100.0
510.16241	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	510.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53962	0.6
53.03944	1.1
53.14520	0.6
54.67542	0.6
54.92541	0.8
55.01859	3.4
55.05505	3.6
57.03433	1.5
62.06087	0.8
67.05505	4.6
67.48610	0.7
68.29912	0.6
69.03426	1.4
69.07066	3.5
70.06602	0.8
71.05022	0.7
71.50784	0.9
71.51144	0.8
79.05498	4.9
81.06593	1.3
81.07059	23.9
83.04971	2.7
83.08619	1.2
85.02908	0.9
86.09710	0.6
89.73940	0.6
91.05492	3.2
93.07063	4.0
95.04969	0.9
95.08617	5.6
97.06560	1.0
105.07044	3.4
107.04956	3.8
107.08582	4.7
109.02843	0.8
109.06522	9.5
109.10166	2.9
111.03719	1.1
111.04446	16.3
117.07068	1.4
119.08594	3.9
121.06506	0.6
121.10123	3.5
123.08071	2.2
123.11691	1.2
125.05990	5.3
131.08586	2.7
133.10132	4.6
135.08086	3.2
135.11678	5.2
136.07672	0.7
137.05980	100.0
137.13257	1.9
138.06372	1.0
143.08592	1.4
145.10146	1.9
147.08086	1.5
147.11681	5.1
149.09601	4.3
149.13269	1.1
151.07555	2.8
151.11163	1.2
157.10110	2.0
159.11633	0.9
161.09607	6.9
161.13284	1.9
163.11172	2.6
163.14890	1.0
165.09178	2.7
165.12805	0.7
167.10651	1.2
171.11723	1.3
172.09312	0.7
175.11198	5.5
175.14798	0.6
177.12804	1.3
179.10631	1.4
185.13226	1.0
189.12836	1.7
203.17952	6.4
212.51234	0.7
213.16406	3.1
216.06329	1.6
221.19035	2.2
223.14851	0.8
231.17447	8.8
241.15793	1.7
249.18471	6.9
259.16916	0.8
277.17987	60.9
278.18335	1.4
295.19025	7.0
320.22260	3.5
343.02982	0.7
351.21667	59.8
352.21875	1.4
369.22733	33.4
431.18170	1.8
449.18964	0.8
474.22845	0.7
492.23532	1.1
510.25040	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01873	3.1
55.05494	1.8
57.03432	3.0
57.07075	1.8
59.05000	11.4
61.02932	6.8
67.05501	5.2
69.03428	15.2
69.07049	2.5
70.06581	2.5
71.04993	15.6
73.02896	2.1
74.86080	1.3
79.05482	6.8
81.03426	6.5
81.07056	25.0
82.60020	1.2
85.02908	68.1
87.04496	1.8
91.03947	3.4
91.05483	5.2
93.07050	12.3
95.04967	1.9
95.08650	3.0
97.02898	21.7
99.04471	4.6
100.11259	1.4
105.07040	3.0
107.08606	13.7
109.02888	7.9
109.05896	1.3
109.06533	9.6
109.10165	21.8
111.08111	8.8
111.45264	1.4
115.03951	2.1
121.10131	2.4
123.08103	1.7
123.11710	32.1
127.03918	18.3
133.10141	14.8
145.04977	25.1
151.11186	100.0
152.11497	1.8
153.12723	1.9
161.09425	1.3
163.06024	11.5
167.07018	2.0
169.12250	28.4
185.01360	1.2
225.08076	1.3
245.12802	1.7
263.09393	1.4
295.15485	2.8
313.16550	4.9
325.11255	4.1
331.17545	11.0
453.34149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
54.79941	0.7
55.01870	2.5
55.05513	1.2
57.03428	3.1
57.07062	1.7
59.05001	12.9
61.02929	7.2
63.52128	0.7
67.05511	4.0
69.03078	1.4
69.03429	15.5
69.07060	1.7
71.04605	1.0
71.04996	16.3
71.29623	1.3
73.02908	2.9
79.05492	6.9
81.03417	5.0
81.06586	1.5
81.07063	24.5
85.02908	72.2
87.04474	1.5
91.03954	3.0
91.05492	4.2
91.66200	0.9
93.07040	11.2
95.04976	4.1
95.08601	3.4
97.02893	20.5
97.06520	0.8
99.04461	3.5
105.07027	4.2
107.04984	1.3
107.08604	12.7
109.02891	9.3
109.06513	9.7
109.10159	19.6
111.08083	8.5
115.03928	1.1
123.08064	0.9
123.11711	33.8
127.03920	18.9
131.08546	1.7
133.06470	0.8
133.10141	13.6
145.03790	0.9
145.04964	27.5
151.11192	100.0
152.11745	0.8
153.12784	1.8
163.06029	12.8
169.12251	29.8
282.19006	0.8
289.09222	1.5
295.15463	3.1
313.16428	6.9
325.11307	5.3
331.17468	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	510.3548
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
55.05521	0.7
56.05026	1.3
57.07077	5.4
58.06610	1.1
60.08166	17.2
64.00447	0.5
67.05508	1.1
68.16705	0.5
69.07062	0.9
69.50877	2.5
69.51289	1.7
70.34979	0.5
71.07380	7.3
71.08643	4.1
81.07050	2.3
83.08617	0.8
85.10183	2.3
86.09711	48.9
95.08607	2.3
97.10204	1.0
98.98470	4.0
104.10750	100.0
106.73466	0.6
109.10174	0.9
116.32067	0.5
123.11707	0.6
125.00014	26.3
163.01559	0.7
184.07350	92.2
185.07700	0.6
225.88292	0.5
230.97134	0.6
239.23726	2.2
258.11133	1.0
313.27423	6.2
314.85471	0.5
327.29117	1.5
331.28525	0.8
446.87848	0.6
492.34491	9.5
510.35550	25.9
511.35455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01848	1.8
55.05513	10.8
57.03436	3.7
57.07078	94.1
57.94436	1.6
58.06602	2.0
60.08156	3.4
67.05505	27.3
69.03433	18.2
69.07072	17.0
69.58544	6.5
69.58972	5.4
71.05009	3.1
71.08237	3.8
71.08636	77.8
73.02928	1.9
79.05484	4.4
81.03423	15.5
81.07056	42.1
82.28072	1.8
83.08624	36.2
83.09107	1.3
85.02911	34.9
85.10187	38.1
86.09710	13.4
95.08613	64.5
97.02897	23.3
97.10168	17.0
98.21421	2.9
99.04447	6.6
99.11744	3.5
104.10748	18.8
107.70209	2.0
108.04457	2.6
109.02885	13.3
109.10168	28.6
111.11715	4.3
123.11725	14.3
125.00033	5.0
125.13296	3.2
127.03920	33.3
137.13245	5.1
145.04950	24.1
184.07327	18.9
221.20758	2.1
221.22670	4.4
239.23698	100.0
240.24005	2.0
257.24753	8.2
313.27243	8.4
323.25546	2.7
329.26703	3.8
331.28500	2.0
341.26962	3.9
345.45334	1.8
383.27936	51.9
401.28998	94.3
492.34433	2.6
510.35388	6.9
526.71436	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.4
57.07079	33.7
66.23358	1.7
67.05510	2.0
68.37048	1.7
69.07067	4.1
69.31922	1.7
71.08638	29.5
71.52505	2.3
71.94138	1.5
72.03738	1.6
73.06546	5.1
73.55337	1.9
75.64572	1.7
81.07055	4.9
83.08620	4.4
85.10191	20.3
85.48130	1.6
89.06041	100.0
91.05435	2.2
93.40261	1.6
93.88029	1.7
95.08600	4.0
97.10167	6.8
109.10158	2.7
114.44427	1.7
117.09137	3.9
122.35475	1.8
125.13287	1.8
133.07657	3.3
133.08614	49.3
177.11252	19.0
180.86150	1.8
195.12184	2.0
211.24150	2.6
239.14906	2.2
283.17490	17.3
292.47913	1.6
299.29498	3.6
343.32056	2.4
361.25775	1.8
395.89301	1.9
425.58664	1.7
493.41281	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	511.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51573	1.2
69.03422	5.5
69.22335	13.5
73.66998	1.3
81.03377	1.8
82.99841	2.6
85.02918	9.9
91.89425	1.3
92.03074	1.4
97.02887	5.9
98.97568	5.5
101.00337	1.0
101.00886	27.5
103.02494	1.6
109.02892	1.4
113.00890	9.2
115.02423	2.4
116.98582	1.8
119.01928	33.9
126.98793	1.6
127.02428	3.6
127.03918	5.5
131.01918	23.6
133.03470	5.8
137.02983	1.8
139.02402	4.3
143.01895	29.7
145.03455	14.3
145.04832	2.6
149.02924	2.7
155.01901	25.7
157.03459	11.4
160.04823	1.6
161.02988	19.7
163.04453	1.6
167.01941	13.0
168.99866	16.8
169.03456	3.7
169.05283	5.2
171.05063	3.1
173.02963	29.2
175.04536	2.3
179.01894	5.2
180.99811	3.4
185.02971	44.5
187.00923	11.6
187.04478	3.6
191.03938	3.2
196.99318	11.1
197.01399	2.0
197.02974	18.6
199.00862	5.1
199.04436	1.8
201.02467	4.4
203.03992	15.6
215.00378	34.1
215.03925	11.1
219.03506	6.3
221.05022	9.7
227.00525	1.8
227.04051	11.0
229.01997	11.6
229.10336	2.5
231.03580	2.5
241.01938	4.0
245.05084	100.0
246.05299	2.8
247.03032	26.1
250.07800	5.0
257.05151	7.4
259.03043	13.2
259.08517	7.5
261.02505	1.6
263.06207	9.7
271.03055	11.5
275.06125	16.5
277.04092	5.5
289.04089	12.0
289.06992	1.9
293.07190	5.2
299.02515	12.3
303.05655	2.3
305.07315	7.6
307.08762	2.1
313.03867	1.7
317.03601	2.0
331.05133	34.8
335.08194	4.6
337.10080	7.1
340.10730	2.1
349.06161	33.0
365.09344	6.6
390.46674	1.4
511.11060	5.1
535.62537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51573	1.2
69.03422	5.5
69.22335	13.5
73.66998	1.3
81.03377	1.8
82.99841	2.6
85.02918	9.9
91.89425	1.3
92.03074	1.4
97.02887	5.9
98.97568	5.5
101.00337	1.0
101.00886	27.5
103.02494	1.6
109.02892	1.4
113.00890	9.2
115.02423	2.4
116.98582	1.8
119.01928	33.9
126.98793	1.6
127.02428	3.6
127.03918	5.5
131.01918	23.6
133.03470	5.8
137.02983	1.8
139.02402	4.3
143.01895	29.7
145.03455	14.3
145.04832	2.6
149.02924	2.7
155.01901	25.7
157.03459	11.4
160.04823	1.6
161.02988	19.7
163.04453	1.6
167.01941	13.0
168.99866	16.8
169.03456	3.7
169.05283	5.2
171.05063	3.1
173.02963	29.2
175.04536	2.3
179.01894	5.2
180.99811	3.4
185.02971	44.5
187.00923	11.6
187.04478	3.6
191.03938	3.2
196.99318	11.1
197.01399	2.0
197.02974	18.6
199.00862	5.1
199.04436	1.8
201.02467	4.4
203.03992	15.6
215.00378	34.1
215.03925	11.1
219.03506	6.3
221.05022	9.7
227.00525	1.8
227.04051	11.0
229.01997	11.6
229.10336	2.5
231.03580	2.5
241.01938	4.0
245.05084	100.0
246.05299	2.8
247.03032	26.1
250.07800	5.0
257.05151	7.4
259.03043	13.2
259.08517	7.5
261.02505	1.6
263.06207	9.7
271.03055	11.5
275.06125	16.5
277.04092	5.5
289.04089	12.0
289.06992	1.9
293.07190	5.2
299.02515	12.3
303.05655	2.3
305.07315	7.6
307.08762	2.1
313.03867	1.7
317.03601	2.0
331.05133	34.8
335.08194	4.6
337.10080	7.1
340.10730	2.1
349.06161	33.0
365.09344	6.6
390.46674	1.4
511.11060	5.1
535.62537	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
57.32636	0.6
57.56084	0.6
69.03425	1.2
69.33222	4.9
70.06559	1.9
71.04964	2.2
72.08130	1.7
78.15442	0.5
81.03396	1.0
83.04934	0.8
85.02908	3.9
86.09683	2.4
91.87213	0.7
97.02876	0.6
107.04935	1.2
109.02881	0.6
112.45476	0.6
120.08070	0.9
127.03908	1.0
129.10191	1.0
136.07516	0.6
151.55652	0.6
167.07106	0.7
169.04767	1.2
185.04239	2.3
187.06012	1.2
203.03159	38.9
221.04999	0.9
295.06033	1.5
331.10001	100.0
332.10339	1.1
365.07056	0.6
449.63947	0.7
511.14209	20.9
538.28888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.8
51.02362	1.2
53.03943	6.2
53.29610	0.9
63.02347	1.4
71.51498	0.9
76.69588	0.9
77.03930	1.1
81.03428	28.1
81.03922	1.3
85.41373	0.9
89.03924	11.3
91.05482	2.1
93.07025	1.4
95.04954	2.3
95.08679	0.9
97.02905	17.0
99.04448	1.5
103.05476	43.8
109.02887	75.3
117.03394	28.8
124.18150	1.1
125.02347	1.7
127.03938	4.8
131.04938	91.1
134.03627	2.1
135.04442	1.5
139.03906	5.3
145.02863	54.7
149.05984	8.0
152.19716	1.0
169.04933	2.8
169.06432	1.2
177.05481	100.0
186.05518	2.6
193.04926	1.0
199.07568	2.2
227.07152	1.4
241.08574	4.3
285.07898	1.8
285.10944	1.1
303.08640	1.0
312.96356	1.1
319.80798	0.9
463.11774	1.9
465.16299	1.8
479.14755	3.1
480.15640	1.2
483.17419	2.5
493.15881	1.9
496.14816	2.0
511.17255	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	511.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02353	1.1
53.03946	7.2
67.05495	0.9
69.03413	0.9
69.25217	6.8
70.06587	2.0
72.08103	0.7
77.03898	0.7
78.04695	0.7
81.03419	25.8
81.07037	0.9
89.03925	10.4
91.05481	2.0
91.06611	0.6
93.07042	1.0
95.04971	1.8
97.02892	17.9
98.17480	0.6
103.05466	41.6
105.07000	0.7
106.04135	0.9
107.04978	1.9
109.02879	77.1
117.03383	27.6
125.02354	1.2
127.03922	4.3
127.43253	0.7
131.04927	84.6
134.03622	1.3
135.04381	1.5
139.03935	3.8
145.02846	51.9
147.11688	0.8
149.02335	6.0
149.06000	8.2
153.06935	1.2
158.05934	0.9
169.04919	2.2
177.05467	100.0
178.05786	1.2
179.46248	0.7
181.06506	1.0
186.05511	1.1
193.05020	4.4
194.05322	0.8
209.06091	0.8
213.09117	0.9
237.07581	6.1
238.07904	1.2
241.08568	1.7
257.08054	1.0
261.07724	0.8
285.07471	1.9
300.28900	2.4
301.29153	1.2
317.10168	0.8
325.33920	0.7
363.10330	1.3
394.13229	0.7
510.34229	5.3
511.16595	2.0
511.34750	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	511.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.5
54.79322	0.4
55.01841	2.0
61.02906	0.5
67.05456	0.8
69.03408	1.0
69.07056	0.7
71.51185	0.6
74.00577	0.4
79.05460	0.9
81.03387	0.6
81.07017	1.2
85.02864	0.9
91.05466	2.0
93.07000	1.1
95.08588	0.8
97.02882	0.6
99.04409	0.5
105.06998	1.8
107.04971	3.0
107.08608	0.4
108.05249	0.7
109.02894	0.5
109.06434	0.4
115.05434	0.7
117.07023	0.7
119.08561	1.0
127.03902	0.8
131.08560	0.8
133.10080	1.2
135.08003	0.4
137.05896	0.5
145.06503	0.5
147.11661	0.5
149.09599	0.5
152.06201	0.9
154.07704	0.6
155.08505	0.5
159.08046	0.5
161.05925	1.0
165.07037	3.0
166.07710	0.5
168.05656	1.9
169.06464	1.1
171.04347	1.6
181.06438	1.4
182.07253	1.6
183.08095	2.1
184.08769	0.5
185.05960	0.9
186.06819	0.5
187.07487	1.1
188.08298	0.6
189.09029	0.4
193.06476	1.1
194.07277	2.1
195.08049	1.0
196.05205	3.4
197.05989	5.1
197.09529	1.1
198.06659	1.2
200.08319	1.3
201.09100	2.2
209.05920	0.5
210.06715	2.4
211.07559	5.9
212.08328	11.5
213.05565	3.4
213.08667	0.5
215.06894	0.6
215.10612	1.9
221.05977	1.0
222.06718	0.6
223.07571	0.7
224.04648	1.2
225.05540	0.9
225.09109	9.7
225.11171	0.9
226.09830	0.5
227.07014	1.3
228.07834	8.5
229.08415	0.9
235.07501	0.8
237.05328	0.7
238.06209	1.0
239.07036	8.7
240.07771	3.0
241.08545	0.7
243.10178	25.3
244.10533	0.9
247.07573	0.8
253.08591	5.2
254.09358	0.8
256.07202	1.2
257.08105	1.1
269.07974	0.8
270.08600	0.6
271.09653	100.0
272.10339	9.6
275.20105	1.5
277.08627	0.7
314.79675	0.4
319.11072	0.5
332.11740	0.6
347.10706	0.6
348.11331	0.9
349.23425	0.5
353.00400	0.5
358.09836	0.7
359.10406	1.0
360.11215	0.8
363.13950	0.4
364.10486	0.5
375.10165	1.4
376.10806	1.5
377.11542	1.1
386.09372	0.9
387.10172	1.5
388.10873	1.2
390.12408	0.8
391.13528	1.0
393.11105	1.2
401.11603	1.2
402.08325	0.5
403.09607	1.2
404.10294	2.2
405.11026	0.8
406.11902	0.5
415.09271	0.8
416.10031	0.9
417.10855	1.0
418.12042	2.1
419.12769	4.7
420.13495	1.2
421.14526	0.7
422.10837	0.6
423.16150	0.6
429.11307	0.9
430.11954	1.4
432.09552	1.3
433.14502	1.4
435.11938	1.6
436.12955	1.3
446.11438	2.0
447.12119	4.6
448.13052	2.6
449.13629	2.7
450.14218	1.9
451.15421	1.6
460.12622	0.6
461.13934	3.3
462.14676	3.2
463.11453	0.9
464.12518	2.9
465.17413	2.9
478.13638	0.7
479.14957	10.7
493.16162	1.8
496.14932	0.9
511.17245	29.3
512.17480	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	511.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09515	0.4
54.19921	0.4
55.01874	2.6
69.18317	3.8
69.18723	0.7
79.30438	0.4
81.03388	1.1
83.32605	0.4
87.05165	0.4
89.03893	0.7
91.05517	0.4
96.11041	0.3
97.02880	0.7
103.05510	1.9
103.06039	0.4
107.04906	0.7
109.02888	3.7
117.03354	1.5
131.04929	3.9
145.02841	2.9
149.05931	0.4
152.06194	0.7
153.06998	0.7
157.06480	0.6
161.06046	0.7
165.07005	2.6
167.08513	0.8
168.05702	1.7
169.06441	0.9
171.04398	0.9
172.05017	0.4
177.05484	4.4
177.17444	0.4
180.05644	0.5
181.06490	1.5
182.07275	1.7
183.08061	2.5
185.05952	0.9
186.06718	0.5
187.07469	1.0
189.08992	0.5
192.05759	0.5
193.06503	1.3
194.07266	1.8
195.08034	0.6
196.05185	2.7
197.06018	4.4
197.09605	1.1
198.06752	1.0
199.07530	0.5
200.08417	1.9
201.09087	1.4
210.06789	2.1
211.07539	6.0
212.08322	11.4
213.05461	2.9
213.08932	0.5
215.07065	0.7
215.10667	1.6
224.04672	1.6
225.05623	0.7
225.09114	7.9
226.09691	0.5
227.06975	1.2
228.07829	7.9
229.08638	0.8
235.07495	0.8
237.05402	0.5
238.06201	0.6
239.07062	9.3
240.07909	2.2
241.08534	1.1
243.10182	23.9
251.06972	0.4
253.08641	5.1
254.09177	0.5
255.06555	0.5
255.10178	0.4
256.07111	1.5
257.08026	1.3
259.35980	0.5
270.08844	0.8
271.09662	100.0
272.10382	7.2
285.11307	0.4
347.10770	0.9
358.09958	0.5
359.10672	1.0
360.11310	0.6
375.10153	1.3
376.10989	1.4
377.11435	0.8
387.10120	1.6
388.11047	0.7
391.13342	0.8
401.11899	0.9
402.12799	0.8
403.09451	1.2
404.10275	1.9
405.10898	0.8
414.08759	0.5
416.10699	1.0
417.11298	1.2
418.12091	1.3
419.12900	3.5
421.10416	0.5
423.15842	0.6
429.11160	0.7
430.12100	0.9
431.08591	0.5
433.15237	2.0
435.12463	0.9
436.12933	0.6
444.13687	0.5
446.11594	1.5
447.12036	2.5
448.12830	2.2
450.14697	0.8
451.15167	1.1
452.15753	0.7
461.13919	0.9
462.14905	2.6
463.11639	0.7
464.12494	2.5
465.17084	1.5
478.14362	0.5
479.14905	11.0
480.15375	1.8
493.16571	2.2
496.14642	1.0
511.17377	20.1
512.17743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.7
55.01875	10.7
55.05517	14.4
57.03441	9.2
58.40534	1.5
61.02934	32.9
62.16584	1.7
67.05511	31.9
69.03434	18.7
69.06728	2.3
69.07074	25.8
69.20312	13.9
70.50064	1.4
71.01343	2.4
71.05004	3.0
73.02922	14.7
79.05499	31.6
81.03429	22.1
81.07068	58.8
83.04966	5.5
83.08625	7.2
85.02909	26.7
85.06557	3.4
91.03988	12.9
91.05492	55.4
92.05813	1.8
93.07053	30.2
95.01319	7.7
95.04954	11.2
95.08609	24.8
97.02908	26.1
97.06542	20.3
97.10180	1.8
98.20771	2.7
99.04463	4.4
99.08121	1.6
101.02390	7.1
103.03952	3.0
103.05494	2.6
105.07040	73.6
106.17559	1.6
107.04958	23.3
107.05631	1.9
107.08614	16.4
109.02904	9.5
109.06549	7.4
109.10184	6.0
111.08118	1.9
116.51559	1.7
117.07011	16.2
119.08598	36.5
121.06518	3.2
121.10155	8.2
121.93039	1.6
123.04436	1.9
123.07983	3.6
123.11732	3.3
125.09646	2.2
127.03934	14.2
129.06979	3.7
131.04958	3.6
131.08589	21.8
133.06532	1.8
133.10146	37.7
135.08093	4.2
135.11693	8.4
137.09636	1.8
141.07010	2.1
143.08578	5.6
145.02853	3.1
145.04982	4.4
145.06464	1.9
145.10155	24.0
147.11714	19.6
149.09604	3.8
149.13322	4.9
155.08604	2.6
157.10202	2.3
159.11716	13.6
161.13278	6.5
163.11198	3.0
165.09131	2.1
167.06981	1.8
169.10159	4.6
171.11703	3.1
173.13327	4.3
177.05463	5.6
177.12747	5.4
179.14328	18.6
183.06558	3.7
183.11732	2.3
187.11197	2.8
193.12225	2.2
197.13309	2.8
229.19553	1.9
239.17981	3.3
241.14426	2.1
247.20680	3.1
255.06639	1.7
257.19049	9.4
275.20087	100.0
276.20422	1.8
293.21182	3.5
344.82693	1.7
349.19556	1.2
349.23761	34.6
377.23059	5.0
511.13846	5.9
511.28336	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	511.3035
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
52.90719	1.2
55.05314	1.4
55.05518	15.1
57.03430	6.1
57.07076	6.7
67.05509	14.0
69.03416	1.4
69.07076	19.8
69.08844	1.3
70.96641	3.2
71.08636	2.9
76.74240	1.2
79.05507	7.1
79.20554	1.4
81.07056	16.9
83.04969	1.3
83.08629	12.9
85.10203	2.0
91.05479	2.3
93.07046	9.9
95.08613	17.3
97.06519	2.7
97.10175	8.0
98.97226	1.3
98.98476	27.1
99.75038	1.3
105.07012	1.7
107.08599	5.7
109.10152	5.6
111.11731	1.7
119.08568	2.3
121.10162	8.4
123.11765	2.1
129.07129	1.6
135.11688	4.5
145.10149	1.8
149.13261	2.9
155.01073	13.0
173.02148	3.4
247.05766	2.1
265.25314	3.1
273.80859	1.4
286.77664	1.3
339.28976	100.0
340.29498	2.6
377.55276	1.5
475.28098	6.4
511.38730	3.8
512.50256	2.8
520.33868	1.6
534.26672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01868	0.4
55.05514	7.5
57.07082	6.2
58.06604	25.0
60.04517	1.2
65.03947	0.3
67.05511	4.4
67.95785	0.3
69.03433	0.6
69.07069	3.1
69.37554	2.5
70.06593	4.8
71.08636	2.9
72.08157	1.9
73.02922	0.4
79.05497	1.9
81.03439	0.5
81.07061	4.7
83.04986	42.4
83.08614	2.1
84.08174	0.4
84.96339	0.3
85.02895	0.8
85.06534	0.7
85.10191	0.8
88.07635	6.3
89.06039	3.2
89.25748	0.3
91.05473	1.9
93.07048	4.2
95.04955	0.9
95.08608	8.3
95.09180	0.6
97.06523	1.7
97.10175	0.8
99.08087	0.5
100.07622	6.3
102.09184	5.2
105.07034	3.3
107.04995	0.4
107.08592	4.4
109.06525	1.1
109.10157	4.2
111.04468	0.4
111.08096	0.9
114.09164	0.8
117.07050	0.7
119.08580	3.9
121.06519	0.4
121.10162	4.0
123.08080	7.5
123.11706	1.8
125.09628	1.0
129.07089	0.6
131.08604	2.1
133.08623	1.7
133.10132	3.4
135.08049	0.4
135.11697	1.7
137.09630	0.8
139.11172	0.4
141.09093	0.7
142.07832	0.4
143.08611	1.3
144.09315	0.4
145.10115	2.6
147.11668	2.3
149.09607	3.9
149.13289	1.1
151.11147	0.7
155.08548	0.5
157.10130	2.1
159.11711	2.4
161.09685	0.5
161.13234	2.0
163.11229	0.6
163.14822	0.7
165.12796	0.8
167.10678	0.6
169.10101	1.5
171.11754	2.3
173.13263	2.3
175.11134	0.5
175.14854	1.0
177.11365	0.7
177.12730	0.8
179.14249	0.4
183.11749	1.5
185.13263	2.6
187.14851	1.5
189.12833	0.5
189.16391	0.7
195.11690	0.4
197.13274	1.1
199.14838	1.5
200.15656	0.4
201.12766	0.8
201.16406	0.4
211.14810	1.3
213.16420	1.4
223.14845	0.8
225.16457	1.1
227.17987	1.0
228.23270	1.6
229.16064	0.4
231.17656	0.6
237.16423	0.4
239.18002	0.7
243.17580	0.4
245.19093	1.0
251.17970	0.8
256.26370	14.4
257.19080	0.7
263.17856	0.4
267.21106	0.4
269.18951	0.5
271.20700	0.8
273.18875	0.4
274.27438	1.4
279.21191	0.6
283.26324	16.5
285.21774	0.4
295.24225	0.8
297.22287	0.6
311.20132	0.4
311.23666	1.6
311.29324	1.9
313.25177	1.9
327.20197	1.1
337.25400	1.9
340.29242	0.6
370.22397	0.3
379.26340	0.8
381.27856	1.6
395.29263	0.6
417.31656	0.4
435.32666	10.4
436.32861	0.4
452.34848	0.4
453.33734	8.7
494.36526	0.8
512.37439	100.0
512.49982	38.2
513.37585	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01885	0.5
55.05263	0.6
55.05511	5.9
56.42214	0.4
57.07077	6.5
58.06603	26.8
60.04534	1.9
61.68208	0.3
64.28283	0.4
65.03951	0.3
67.05510	3.8
69.03448	0.9
69.07071	2.5
70.06597	4.8
71.08633	2.4
71.20222	0.6
71.20594	0.8
72.08160	1.3
73.02904	0.6
79.05505	2.3
81.07059	5.5
83.04984	45.9
83.08617	2.5
83.50314	0.4
84.08141	0.4
85.02918	1.1
85.06535	0.8
85.10188	1.2
88.07628	5.4
89.06019	3.1
91.05466	2.0
93.07053	4.7
95.04959	0.8
95.08612	8.3
97.06561	1.2
97.10200	0.5
97.89687	0.3
99.08069	0.5
100.06997	0.6
100.07629	6.7
102.09174	4.3
105.07030	5.8
105.08978	0.4
107.04934	0.5
107.08604	4.6
109.06521	1.5
109.10162	3.1
111.04413	0.4
111.08104	0.7
114.09183	1.0
117.07061	0.7
119.08582	4.6
121.06563	0.4
121.10146	4.5
123.08077	7.1
123.11707	2.3
125.09653	0.9
129.07010	0.6
131.08536	2.6
133.08627	1.3
133.10146	3.2
135.08066	0.8
135.11694	1.8
137.09639	0.8
139.11217	0.4
143.08585	1.4
145.10106	3.2
147.11690	2.4
149.09616	5.1
149.13271	1.2
151.07600	0.8
151.11200	0.5
153.09084	0.5
157.10178	2.4
159.11690	2.6
161.09665	0.6
161.13220	2.6
163.11140	0.6
163.14873	0.5
165.12744	0.8
169.10124	0.8
171.11699	2.0
173.13275	2.3
175.11256	0.4
175.14862	1.1
177.11342	0.6
177.12790	0.7
181.10101	0.8
183.10185	0.5
183.11725	1.2
185.13229	2.5
187.14822	2.0
189.12799	0.9
189.16371	0.6
195.11696	0.9
197.13284	1.0
199.14784	1.9
201.12706	0.6
201.16440	0.8
203.14316	0.7
209.13306	1.0
211.14880	1.2
213.16411	1.6
215.17975	0.8
223.14879	0.3
225.16396	0.8
227.18008	1.4
228.23274	1.3
237.16422	0.4
239.18124	0.9
245.19078	0.9
251.18066	0.6
253.19487	0.5
256.26355	14.6
257.18927	0.9
263.18051	0.4
271.20709	0.8
274.27484	0.8
283.26334	16.5
286.56573	0.4
295.24194	0.6
297.22141	0.5
311.23837	1.3
311.29532	1.0
313.25305	1.4
327.20248	1.1
337.25272	2.7
340.29257	1.7
347.61221	0.4
363.26813	0.5
373.83072	0.4
379.26590	0.6
381.28052	1.9
397.27164	0.6
435.32611	10.6
443.68747	0.4
453.33728	7.1
494.36398	0.9
512.37427	100.0
512.49945	35.1
513.37640	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	512.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.05516	7.6
57.07082	5.6
58.06606	30.8
60.04531	2.2
67.05513	3.7
69.03426	1.3
69.07079	3.4
70.06310	0.4
70.06602	4.3
71.04983	0.7
71.08634	3.1
72.08147	1.2
72.14241	0.4
73.02914	0.6
79.05498	2.5
81.07062	5.4
83.04990	46.9
83.08612	2.1
84.08101	0.6
85.02907	1.1
85.06596	0.5
85.10184	1.5
88.07633	6.8
89.06021	2.2
91.05482	2.1
93.07056	4.1
95.04954	0.9
95.08620	8.9
97.06512	1.0
97.10194	1.1
98.20721	1.0
99.08095	1.0
100.07626	6.5
102.09192	4.1
105.07046	4.0
107.08604	5.3
109.06535	1.4
109.10162	4.2
111.04494	0.5
111.08092	1.0
114.09221	0.9
117.07005	0.7
119.08576	4.6
121.10159	4.5
123.08080	8.1
123.11700	2.4
125.09576	0.6
129.06958	0.6
131.08572	2.1
133.08636	1.2
133.10139	4.0
135.08083	0.7
135.11688	1.6
137.09628	1.0
139.11194	0.7
143.08594	1.6
145.09203	0.4
145.10164	2.9
147.11697	2.1
149.09644	4.2
149.13260	1.3
151.11212	1.3
155.08580	1.1
157.10110	2.5
158.26257	0.5
159.11702	4.6
161.09663	0.5
161.13316	2.8
161.14452	0.5
169.10161	0.7
171.11707	2.0
173.13275	2.6
175.14796	1.0
177.12793	0.6
183.11723	1.8
185.13315	2.7
187.14851	1.6
189.16429	1.2
193.23354	0.5
195.11783	0.6
197.13319	1.4
199.14816	2.2
201.16426	1.0
203.14496	0.7
209.13313	0.6
211.14890	0.7
213.16451	1.5
215.17821	0.6
223.14835	0.9
225.16460	1.3
227.17998	1.7
228.23267	1.4
229.15842	1.0
229.19347	0.5
231.17361	0.9
237.16444	0.6
239.17975	1.1
243.17497	0.7
245.19115	1.3
256.26373	16.1
257.19116	0.6
271.20648	0.6
274.27512	0.6
283.26343	15.0
295.24207	1.1
303.10843	0.5
305.37479	0.5
311.23816	1.1
311.29413	1.3
313.25269	2.0
327.20044	0.7
337.25369	2.2
379.26163	0.8
381.27969	1.4
385.20758	0.6
395.29422	0.6
435.32593	11.3
453.33603	7.6
489.37161	0.5
494.36435	0.8
512.37445	100.0
512.49915	32.6
513.37561	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1915
Annotation	Sorocenol B
Peak:m/z	Relative Intensity
51.38278	0.3
67.05511	0.5
71.96621	0.3
79.05521	0.5
81.07047	0.5
84.08167	1.6
91.05500	1.1
93.07046	0.5
95.04945	0.4
95.08595	0.4
98.04092	0.3
103.05368	0.3
105.07024	0.4
115.05492	0.5
116.06225	0.4
117.07109	0.4
119.08611	0.4
121.06500	1.1
128.06245	0.4
129.06960	0.3
131.04950	0.5
133.92461	0.4
136.02393	0.3
137.05907	0.3
142.41634	0.3
144.05717	0.7
145.06488	0.7
146.07262	0.5
147.08064	0.4
149.89670	0.3
151.07542	2.6
152.06189	0.4
153.06998	0.7
157.10046	0.3
158.07268	1.6
159.08093	1.2
159.11826	0.4
161.05989	2.3
163.07567	0.9
165.07040	0.4
167.08598	0.4
169.06497	0.6
170.07314	0.7
170.55206	0.3
171.08090	1.0
174.06810	2.2
175.07578	1.4
177.09088	3.6
181.06520	1.2
182.07333	0.4
183.08089	0.5
184.07397	0.4
184.08966	0.5
185.05965	0.8
186.06783	1.6
187.07607	1.0
188.08368	0.6
189.09145	6.9
191.10687	0.4
194.07336	0.5
195.08076	1.3
196.08850	0.7
197.06017	0.9
197.09663	0.5
198.06810	1.4
199.07585	0.5
200.04771	0.6
200.08382	0.4
201.09138	7.0
203.10696	0.5
208.08826	0.3
209.09625	0.4
210.06911	0.4
210.10344	0.7
211.07600	1.3
212.08305	2.1
213.05540	0.3
213.09109	3.0
214.06316	1.2
215.07066	0.8
215.10748	0.5
217.08647	1.2
223.07472	0.8
224.08409	1.3
225.05627	0.5
225.09097	1.5
226.06250	0.4
226.09947	1.3
227.07013	0.4
227.10742	0.6
228.07893	0.5
229.08609	2.0
235.07593	0.5
236.08315	0.4
237.09137	0.9
238.10036	0.6
239.07071	0.7
239.10730	1.2
240.07878	1.4
241.08611	3.5
241.12294	0.4
242.09644	0.4
243.10179	1.7
244.10837	0.4
249.09105	0.3
250.09840	0.4
251.10727	0.6
253.08702	0.5
253.12291	0.6
254.09389	0.7
255.10280	3.3
256.10980	7.8
256.26334	0.4
257.08185	1.4
257.11600	0.5
263.10873	0.4
265.08807	0.5
266.09387	1.6
267.10144	1.2
268.07306	1.3
269.08136	0.5
269.11780	2.2
271.09641	2.7
277.08502	0.7
278.09332	0.4
282.08926	0.5
283.09665	10.3
283.12674	0.6
283.26266	0.6
293.08383	0.4
293.11792	0.7
294.09045	0.5
295.09875	0.4
309.11215	3.2
325.10757	1.4
331.09671	0.8
333.12402	0.5
337.10602	1.9
349.12244	0.7
350.13141	0.9
351.10156	0.5
351.13983	0.4
352.10944	0.4
361.12387	1.0
362.13260	0.7
363.10217	0.4
363.14163	0.5
365.11734	0.5
366.12531	0.8
376.10776	0.4
377.11914	1.0
378.12537	1.3
379.13507	0.7
381.10779	0.5
381.15027	0.8
388.10849	0.4
389.11758	0.6
390.12668	0.4
391.13367	1.3
392.14194	0.5
393.10623	0.5
393.15317	1.8
394.11908	1.1
394.16379	0.4
395.12689	0.8
396.13577	0.8
397.18005	0.3
403.13550	0.6
405.10687	0.5
405.15408	0.5
406.12140	0.9
407.12189	0.7
407.16675	1.0
408.17389	1.3
409.14557	2.0
410.15033	0.7
411.15985	1.3
412.13397	0.4
419.12833	1.0
420.13553	0.6
421.14728	2.3
422.10834	0.5
422.15601	0.5
423.11533	0.6
423.16223	1.1
424.16849	1.3
425.17587	1.3
426.18555	1.7
427.15540	0.7
433.14865	0.7
435.16046	1.3
436.17291	2.1
437.13803	3.2
438.14911	1.0
439.14648	0.7
439.19284	1.4
442.17847	0.9
447.12335	0.6
448.13324	0.7
449.14249	1.5
451.15353	1.0
452.16449	2.1
453.17282	2.2
454.18091	2.6
455.14694	1.6
457.20609	2.1
460.53098	0.3
463.11435	1.3
463.15979	1.2
464.16208	1.1
465.12836	2.8
467.19235	3.1
469.16077	0.6
470.17416	2.1
479.14932	7.2
480.15628	3.2
481.16708	3.2
482.17416	2.7
485.19702	6.6
495.18091	16.1
498.16934	1.0
512.50525	0.7
513.19147	100.0
514.19647	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	513.1911
Annotation	Palodesangren E
Peak:m/z	Relative Intensity
51.71192	0.3
55.01828	1.2
55.09054	0.5
56.48937	0.4
57.55867	0.3
71.05087	0.3
71.05435	0.7
93.07056	0.4
117.46259	0.4
120.88979	0.4
141.06996	0.5
151.07578	0.5
152.06189	0.6
153.06975	1.1
155.08510	0.5
157.06479	0.7
159.08034	0.7
161.06012	0.9
165.06998	2.5
167.08556	1.3
168.05664	0.7
169.06450	1.0
170.07193	0.5
171.04401	1.4
171.08055	0.7
175.07613	0.7
177.09103	1.1
181.06480	2.1
182.07231	1.6
183.08057	2.1
184.08789	0.5
185.05992	1.4
186.06731	0.6
187.07559	0.7
188.08270	0.7
189.09117	0.9
193.06444	0.7
194.07268	2.2
195.08090	1.9
196.05174	0.9
197.06000	4.4
197.09560	0.7
198.06706	1.5
199.07568	1.3
200.08310	1.7
201.09109	2.0
203.10779	1.9
210.06705	2.4
211.07547	4.2
212.06268	0.5
212.08313	10.0
213.05493	2.8
213.09079	3.1
215.07056	0.7
215.10657	1.7
221.05965	0.7
223.07503	0.5
225.09123	8.7
226.06258	0.7
226.09671	0.5
227.07069	3.1
227.10712	0.6
228.07802	8.2
229.08519	0.7
235.07468	1.1
237.05432	0.8
238.06137	0.9
239.06969	1.5
240.07762	1.6
241.08569	4.3
242.09370	4.7
243.10187	23.1
244.10538	0.5
247.07487	0.6
253.08627	6.3
254.09360	0.6
255.06482	0.6
255.10258	0.5
256.07275	1.5
257.11786	0.5
265.08664	0.9
271.09653	100.0
272.10150	3.3
273.11115	0.4
277.08542	0.5
349.12064	0.5
359.10684	0.8
360.11389	0.5
361.12054	0.5
371.10635	0.6
373.12326	0.6
378.12338	0.7
387.10019	0.7
388.10956	1.0
389.11655	1.0
390.12460	0.8
391.13287	0.5
393.15134	0.4
395.12717	0.5
403.13190	1.5
404.13998	1.0
405.11090	1.3
406.12061	1.1
409.14349	0.4
416.09995	0.4
417.11176	0.8
418.11697	0.5
419.12827	1.0
420.13535	1.3
421.14447	2.2
430.11923	0.5
431.12930	0.9
432.13766	1.9
435.15979	1.3
436.16913	0.7
437.14005	0.9
438.14551	0.6
445.14734	0.5
446.15219	0.5
448.13159	1.7
449.13794	2.0
450.14709	0.9
452.15948	1.0
463.15460	3.0
464.16260	5.1
465.13577	0.6
466.13730	0.7
467.18869	2.1
477.16650	0.6
478.17731	0.6
480.15729	1.4
481.16528	3.4
482.16870	1.1
495.18033	6.1
498.16699	1.4
513.19049	34.7
514.19287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3038
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
51.40273	0.3
55.05515	0.4
57.07071	0.4
61.02927	0.7
67.05504	1.3
69.03416	0.6
69.07062	0.9
70.22007	1.4
70.94659	0.4
73.02923	0.6
79.05463	0.5
81.07054	1.1
86.67522	0.3
91.04018	0.4
91.05502	0.6
93.07038	0.5
95.04988	0.6
95.08601	1.5
97.02928	0.6
98.21420	0.6
106.37480	0.3
107.08599	0.6
119.08608	0.5
141.53575	0.4
168.11578	0.4
175.07613	0.5
184.52075	0.4
185.04176	0.5
203.05281	1.1
219.10147	0.4
222.06746	0.8
247.09753	1.2
256.26385	0.4
257.26788	0.5
259.08044	0.4
265.08411	0.8
272.86166	0.4
284.26678	0.5
341.16364	0.4
351.29230	0.6
373.58469	0.4
437.13974	0.4
439.15540	0.5
455.14944	0.6
485.19629	1.1
498.16574	0.4
512.50372	0.5
513.19513	8.0
513.30353	100.0
514.30731	3.1
538.07629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40020	0.4
54.60955	0.5
61.71154	0.4
65.24944	0.4
67.05500	1.1
67.44438	0.4
69.07065	0.5
71.51534	0.8
74.77413	0.4
77.80611	0.5
79.05470	0.5
81.07070	1.2
91.05486	0.6
93.07008	0.5
95.08606	0.7
105.07062	1.0
107.08592	0.4
133.10098	0.5
177.09091	0.6
185.04175	0.5
189.09167	1.1
203.05330	1.1
217.08549	1.3
233.38557	0.4
258.44904	0.5
259.07932	1.0
269.11722	0.7
271.09692	0.4
282.73926	0.4
283.26407	0.8
290.88611	0.5
295.09595	0.7
366.16595	0.5
405.80768	0.5
455.14957	1.7
456.17633	0.5
483.14429	1.0
485.19504	1.5
512.50360	0.7
513.19611	8.2
513.30359	100.0
513.50708	2.2
514.30933	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38921	2.9
53.03945	4.5
55.05502	15.0
57.03423	7.0
61.02918	19.4
67.05510	33.7
69.03424	11.1
69.07062	16.6
69.20909	38.6
73.02897	6.8
79.05492	49.5
81.03403	7.2
81.07053	38.2
83.08625	6.2
85.02890	19.1
91.03945	7.5
91.05477	47.9
93.07050	39.1
93.46553	5.4
95.04960	7.4
95.08598	30.9
97.02877	13.1
99.04437	6.5
105.07016	36.8
107.04954	13.1
107.08579	25.0
109.06515	5.9
109.10162	12.1
111.08073	6.4
117.06999	11.7
119.04976	4.0
119.08580	44.1
121.02834	5.3
121.06458	6.5
121.10114	22.6
123.08035	5.7
127.03917	4.0
129.06987	10.3
131.08531	19.8
133.10152	33.8
135.11668	20.4
137.05956	5.1
143.08522	12.4
145.10106	26.2
147.11678	36.8
149.09601	5.5
149.13242	14.6
157.10124	7.6
159.11703	23.2
161.13255	19.6
163.14749	7.0
169.10110	5.3
171.11705	10.6
173.13277	16.0
175.11195	6.2
175.14819	15.9
177.09074	4.4
181.10095	4.8
185.13286	14.6
187.14937	4.6
189.09038	8.6
199.11211	5.2
199.14806	7.8
213.09067	4.4
213.16402	3.7
231.21014	5.1
241.08641	5.3
241.19588	20.0
259.20529	48.9
277.21472	4.1
283.09644	6.6
349.23651	4.7
351.25266	100.0
362.05148	3.9
363.25143	6.7
367.22632	5.3
371.30127	3.6
385.23682	6.9
441.26379	6.7
459.27115	5.3
495.17709	7.5
495.29599	12.2
513.19086	63.3
514.19183	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	8.4
57.03428	5.8
61.02921	12.9
67.05509	26.9
69.03435	6.8
69.07082	8.8
71.04995	4.0
73.02912	3.1
79.05492	28.1
81.03432	4.3
81.07067	30.7
83.08619	4.4
85.02897	11.5
85.06540	4.1
88.53029	2.7
91.03954	7.3
91.05471	27.5
93.07044	42.6
95.08611	20.9
97.02888	6.6
98.21313	15.5
99.04520	3.3
105.07040	23.6
107.04982	8.9
107.08607	25.9
107.30994	2.8
109.06504	3.8
109.10171	9.7
115.05489	2.8
117.07018	8.2
119.08597	24.6
119.09406	4.1
121.10151	20.5
127.03974	3.5
129.07094	3.7
131.08569	11.9
133.10136	23.5
135.11697	19.6
143.08585	8.3
145.10165	13.1
147.11696	25.7
149.13283	14.9
157.10179	7.1
159.11716	13.7
161.13269	18.0
163.11145	3.3
163.14865	7.8
171.11676	8.1
173.13246	5.1
175.14867	8.1
185.13297	6.0
199.14792	6.1
231.21024	3.9
241.19559	17.1
259.20584	51.4
277.21655	7.7
294.20770	2.8
333.24319	3.7
349.24051	7.3
351.25317	100.0
417.07532	3.3
441.25830	4.3
459.27386	6.2
477.28500	4.2
495.29547	6.6
508.10983	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	513.3062
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
54.75439	6.3
55.05515	9.0
57.03440	8.7
61.02915	10.2
65.54026	5.8
67.05501	25.6
69.03432	7.8
69.07066	14.0
70.63449	6.7
70.63783	13.4
73.02940	8.4
78.37783	4.9
79.05505	41.0
81.07066	36.0
83.08608	7.0
85.02899	19.0
91.05487	25.6
93.07044	43.6
95.08617	26.2
97.02893	11.3
105.07018	36.7
107.04963	10.9
107.08593	24.0
109.10150	8.8
117.07007	14.4
119.08562	28.8
121.10171	27.8
129.06960	9.0
131.08559	17.2
133.10106	30.5
135.11696	17.8
145.10135	19.7
145.47127	6.1
147.11696	32.9
149.13297	13.0
157.10139	7.5
159.11745	15.6
161.13277	22.9
171.11714	14.0
173.13272	7.1
175.14857	12.2
185.13219	12.4
192.69751	5.5
197.65660	5.9
241.19543	15.1
259.20615	47.6
333.24408	8.6
351.25342	100.0
392.97208	5.5
495.29315	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65594	3.6
52.90445	4.2
53.03936	13.7
55.01859	11.5
55.05508	29.5
57.03434	20.3
59.24640	3.6
61.02919	15.8
67.05507	76.1
68.61831	4.0
69.03425	22.6
69.07076	22.6
70.10030	9.0
70.10416	11.9
71.05003	7.9
73.02922	9.6
79.05495	49.4
81.03424	20.7
81.07053	67.8
83.04974	8.0
83.08630	19.2
85.02917	41.1
91.03971	11.2
91.05485	57.2
93.07037	60.7
95.04977	9.0
95.08605	50.1
97.02897	25.9
97.06558	11.7
97.10187	10.5
101.02374	5.5
103.03912	4.0
105.07037	44.4
107.04952	6.1
107.08593	47.7
109.02905	7.6
109.06536	8.6
109.10166	30.9
111.08090	7.0
115.05454	5.2
117.03415	4.2
117.07009	10.8
119.08578	35.7
121.10125	30.9
123.08050	4.4
123.11745	6.3
124.27171	3.4
125.09596	10.1
126.60580	4.4
127.03905	12.8
129.06993	4.9
131.08578	17.6
133.10121	35.2
135.11684	17.9
143.08557	10.0
145.04915	6.9
145.10126	13.4
147.11711	24.1
147.24706	3.8
149.09636	5.8
149.13264	16.4
157.10121	8.5
159.11723	15.0
161.13264	12.6
163.11147	6.0
163.14735	3.9
165.07086	4.7
171.11719	6.6
173.13216	10.1
175.14787	6.3
181.06483	6.6
182.07327	4.7
183.08035	5.2
185.13310	5.0
189.09172	5.8
189.11259	5.2
201.09215	5.2
210.06831	5.1
211.07457	8.0
212.08287	12.5
213.09116	9.1
215.07072	4.7
225.09160	13.6
228.07907	10.1
240.07628	4.9
241.08568	17.7
241.19484	8.6
243.10188	32.3
253.08589	8.5
259.20566	30.6
271.09650	100.0
272.10086	13.5
273.10422	6.9
277.21649	25.5
333.24222	9.4
339.17703	4.2
351.25266	66.6
417.10751	4.3
449.13828	9.2
452.16510	4.5
463.15121	10.4
464.15903	6.0
467.18509	14.9
480.15390	11.0
495.18335	18.7
495.29816	9.5
513.19171	84.8
513.36377	4.9
514.19635	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	12.5
55.01865	10.1
55.05516	30.3
57.03443	49.7
57.07064	4.9
61.02929	20.1
65.03931	5.5
65.85104	4.0
67.05176	5.8
67.05511	76.7
69.03438	32.7
69.07072	24.6
69.52081	22.6
70.06597	4.0
71.04984	17.2
73.02902	11.5
77.89964	3.3
79.05070	5.5
79.05499	79.0
81.03417	30.6
81.06595	5.6
81.07063	100.0
83.04969	13.4
83.08607	12.7
85.02912	37.7
85.06538	9.5
91.03939	11.2
91.05486	77.0
93.07050	94.6
95.04955	12.3
95.08614	70.6
97.02898	39.2
97.06525	12.4
99.04436	11.3
99.08083	8.1
101.02374	12.4
103.03976	4.2
103.05517	6.3
105.07045	60.6
107.04965	8.4
107.08592	52.6
109.02864	15.1
109.06521	10.4
109.10159	36.7
111.08123	9.1
117.07026	22.5
119.08583	51.0
121.06506	10.1
121.10149	51.4
123.08068	8.6
123.11732	10.0
125.09579	6.7
127.03923	21.7
129.05486	7.3
129.07007	6.7
131.08572	33.8
133.10141	36.8
134.53976	3.7
135.11711	36.3
137.09604	6.6
142.07744	3.9
143.08569	11.9
145.04901	4.8
145.10130	34.4
147.11707	29.1
149.09558	5.6
149.13251	19.1
157.10120	14.3
159.11778	22.4
161.09682	4.2
161.13269	15.4
163.11172	6.9
163.14832	6.7
165.12741	5.7
171.11693	13.6
173.13254	18.7
175.14859	8.6
177.12686	5.0
185.13274	15.1
185.50529	3.5
187.14847	12.0
191.06670	3.8
191.10789	4.9
191.14191	4.3
195.13849	5.2
199.14795	6.4
201.16393	3.8
201.38731	4.0
213.16364	4.3
241.19516	10.9
243.10005	5.1
259.20667	40.9
271.09802	4.9
275.20175	4.0
277.21625	42.2
318.91925	3.8
333.24142	7.0
351.25330	57.1
373.10751	4.3
379.24716	5.4
495.17426	5.2
498.16455	5.2
513.19354	28.3
514.19543	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44610	2.7
53.03929	9.3
55.01861	11.7
55.05272	2.8
55.05518	32.5
57.03441	28.4
57.07084	4.2
61.02931	22.0
61.09932	2.9
61.39697	2.7
61.64265	2.9
65.03931	5.7
66.71270	3.7
67.05509	91.1
67.90260	2.9
69.03155	2.8
69.03438	30.9
69.07064	37.9
71.01337	5.0
71.04981	9.6
71.08631	8.1
71.51359	3.7
71.75558	3.4
73.02906	12.4
79.05497	65.9
81.03424	29.9
81.07063	89.8
83.04978	10.0
83.08635	18.2
85.02914	31.2
85.06569	5.1
89.89460	3.3
91.03925	9.1
91.05484	65.2
93.06481	4.9
93.07049	69.6
95.04964	11.2
95.08608	52.5
97.02899	30.2
97.06531	19.7
97.10144	7.2
99.04446	7.4
99.08066	8.9
101.02388	7.4
103.03974	4.6
103.05459	3.2
105.07042	49.5
107.04951	10.0
107.08603	45.9
109.02874	12.7
109.06506	10.3
109.10172	33.0
111.04456	3.6
111.08068	11.4
113.09607	3.5
117.07014	12.7
119.08580	34.1
121.06474	6.1
121.10155	47.4
123.08050	6.4
123.11670	9.4
125.09576	5.0
127.03935	14.0
128.06265	4.4
129.05484	4.2
129.06990	5.5
130.07805	3.7
130.86531	2.7
131.04973	4.5
131.08575	25.5
133.10143	35.3
135.11726	36.1
137.09631	5.1
143.08566	10.7
145.04948	3.6
145.10156	23.5
147.08040	4.5
147.11708	24.7
149.09593	6.7
149.13245	17.5
151.11166	8.4
153.78777	3.3
155.08537	4.3
157.10153	7.0
159.11710	15.4
161.09584	4.7
161.13257	16.8
163.11113	5.7
163.14842	4.7
165.06987	4.7
165.12729	6.3
171.11707	10.5
173.13225	10.3
175.14772	7.4
179.14317	34.7
181.06415	4.0
185.06052	3.6
185.13223	7.1
186.06500	3.3
189.12717	6.1
190.14484	3.1
194.97026	3.2
195.07980	3.8
195.11693	3.1
197.05952	5.2
197.09570	3.2
203.14467	3.7
203.29361	3.2
207.13879	3.1
211.07497	6.3
212.08260	10.7
225.08995	7.4
228.07758	7.7
241.08571	7.5
241.19484	10.5
243.10118	21.1
244.10541	4.5
253.08612	5.9
259.20602	25.9
262.03137	3.3
271.09662	100.0
272.10052	24.2
273.10239	11.8
277.21667	57.1
333.24173	5.7
351.25317	60.3
381.45419	3.8
406.11331	5.3
463.15173	5.4
464.15970	3.8
467.17746	4.1
481.15567	9.2
495.17667	6.9
495.29410	3.2
501.76410	3.2
513.19073	48.8
513.29883	6.5
513.36487	5.9
513.50867	3.6
525.60223	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	514.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
56.05040	4.8
57.03461	0.8
57.05822	0.9
57.07082	3.8
58.06604	21.1
63.23796	0.4
64.67258	0.4
67.05498	1.0
68.05039	1.6
69.07081	0.9
69.43024	2.1
69.43440	1.0
71.00233	0.4
71.08630	2.7
81.07060	1.2
83.08614	0.7
85.10188	1.5
86.06074	100.0
91.13700	0.4
95.08616	1.8
97.10179	0.4
98.20761	0.8
104.07111	9.2
109.10187	1.1
141.57715	0.4
153.95563	0.4
155.00975	0.4
174.98280	0.4
175.47588	0.4
204.97610	0.4
230.42531	0.4
258.07480	0.9
262.56628	0.4
266.28336	0.4
313.27390	26.4
324.29019	1.4
478.29401	1.8
496.30289	1.2
513.50775	0.6
514.30487	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	515.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18147	1.5
53.03934	3.6
55.01876	7.2
55.02107	1.5
55.05517	9.7
57.03432	2.0
60.65519	1.3
61.02928	23.7
67.05509	11.7
69.03427	7.3
69.07062	1.8
69.11086	1.5
71.04978	2.6
71.21194	1.6
71.50991	1.7
71.51431	2.2
73.02921	3.0
79.05495	20.8
81.03401	8.9
81.07063	27.9
83.01347	3.2
83.04982	3.6
83.08657	1.9
84.04498	1.7
85.01137	12.3
85.02909	3.9
86.00653	4.5
91.03965	11.6
91.05485	16.5
93.07038	20.4
95.01315	1.8
95.04963	9.1
95.08612	6.8
96.08136	2.6
97.06528	2.3
97.08960	1.6
98.09673	7.0
101.02391	1.8
103.05460	2.2
105.07034	7.5
107.04967	8.7
107.08601	7.7
109.02887	5.1
109.06512	9.4
109.10130	2.5
111.04462	5.4
111.08088	100.0
112.03970	3.2
113.04231	21.2
116.01707	2.8
117.07024	1.9
119.03433	4.2
119.04938	3.5
119.08602	3.6
121.06532	4.7
121.10162	3.6
122.09672	3.4
123.04421	5.1
123.08075	10.9
125.06052	1.7
125.09634	4.4
127.07489	2.8
130.05006	7.2
131.08578	4.9
133.06505	1.9
135.04401	2.1
135.08026	2.5
137.05984	16.8
139.05864	2.1
139.07521	9.6
141.01904	1.6
147.08054	3.8
149.05978	1.6
149.09642	5.8
151.07561	6.2
153.05515	1.9
153.09109	1.7
155.07056	3.2
156.08450	15.0
156.10196	8.5
159.08130	1.6
162.02190	1.9
165.09123	9.0
167.07083	8.2
167.10666	3.1
169.08597	3.5
177.03325	2.7
177.05544	2.1
177.09100	5.7
179.07080	2.3
189.03241	3.0
193.08607	4.1
195.10176	24.8
199.20840	1.4
205.04166	1.6
211.09679	35.6
213.07545	4.4
213.11156	2.8
229.10849	9.0
239.09149	63.1
239.70721	1.5
242.08475	7.6
257.07642	3.3
257.10211	42.7
259.11127	94.3
339.17462	2.4
348.20786	1.5
405.82101	1.6
499.78378	1.8
515.20831	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	515.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42133	0.4
55.05478	0.5
69.38733	2.5
69.39151	1.1
70.06590	1.6
72.08151	1.4
80.67346	0.5
84.08153	1.1
85.02904	0.5
86.09725	2.7
88.87717	0.4
91.05488	0.5
107.04967	1.1
119.04968	0.6
120.08108	1.1
121.06527	0.5
129.10242	1.0
135.04460	0.5
137.05989	3.0
147.04439	0.8
149.06012	2.8
151.03908	3.1
151.04941	0.6
151.07527	0.5
167.07085	0.6
177.05545	3.1
181.06433	0.7
227.17513	0.5
239.07159	0.5
241.08594	0.6
271.09656	2.1
273.11249	1.5
305.08383	0.7
339.01190	0.5
353.11896	0.6
353.15677	3.7
363.08786	0.6
365.10529	6.1
515.21057	100.0
516.21265	2.6
537.93848	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63747	0.3
55.05508	0.8
57.07066	0.6
61.65421	0.3
67.05495	1.4
69.07046	1.0
69.39045	1.3
69.39475	1.4
71.08660	0.4
79.05476	0.8
80.77391	0.3
81.07055	1.2
83.08614	0.5
85.02892	1.0
91.05480	0.4
93.07013	0.4
95.08598	0.9
97.10149	0.5
105.07059	0.5
107.08572	0.6
113.02376	0.5
121.10122	0.6
129.07133	0.4
131.08627	0.4
133.10143	0.4
135.11638	0.5
141.01747	0.4
159.11652	0.4
183.45773	0.3
247.24124	0.3
265.25366	0.5
339.29144	0.6
361.47400	0.4
515.31934	100.0
516.32318	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.97795	0.4
63.89021	0.5
67.05504	2.8
69.07059	0.6
71.51956	1.0
79.05495	2.2
81.07054	1.9
82.42123	0.6
83.04980	0.6
91.05491	1.3
93.07058	2.4
95.08602	1.1
105.07027	1.0
106.80710	0.5
107.08591	1.6
117.07027	0.7
119.08589	1.2
122.74764	0.5
126.41566	0.5
131.08588	1.3
131.86948	0.5
135.11763	0.7
145.10109	0.8
171.11659	0.6
197.13385	0.6
203.05359	0.9
259.16852	0.5
405.66666	0.6
515.31891	100.0
516.32544	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01877	3.5
55.05510	17.2
57.03441	8.8
57.07069	5.6
65.03925	4.3
67.05508	87.8
69.03420	13.3
69.07064	20.6
69.18698	30.9
71.04977	4.7
75.66515	2.9
78.85892	3.0
79.05069	5.0
79.05497	63.3
81.03413	10.0
81.07062	100.0
83.04983	5.5
83.08607	14.9
85.02907	8.6
91.05479	39.9
93.07051	73.5
95.01365	2.6
95.04968	6.5
95.08613	77.8
97.02895	6.7
97.06535	5.8
97.10179	7.6
97.97011	2.7
99.08067	3.8
103.03972	3.0
105.07038	34.5
107.08600	51.0
109.06498	7.3
109.10157	42.2
111.08062	4.3
117.07015	19.9
119.08588	32.3
121.06499	4.8
121.10152	52.9
123.08120	3.6
123.11717	15.4
127.03934	3.4
129.07005	5.7
131.08588	29.8
133.10110	16.7
135.08066	3.8
135.11711	29.6
137.13245	7.2
139.11211	3.1
143.08574	7.1
145.04950	3.6
145.10152	24.0
147.11681	21.5
149.13246	17.9
151.11201	4.4
155.08551	3.7
157.10158	5.7
157.99715	2.8
159.11713	21.6
161.13303	15.5
163.14853	16.7
171.11696	6.7
172.39120	2.7
173.13280	18.4
175.11234	2.9
175.14946	3.2
177.12846	3.3
177.16425	4.7
185.13417	3.9
187.11211	2.9
187.14825	6.0
217.72816	2.9
233.22638	3.9
243.21133	31.2
261.22165	77.2
303.23364	5.6
317.24658	3.3
335.25949	14.3
345.24075	3.4
353.26917	14.9
357.14001	3.0
369.24329	8.4
387.25244	5.3
405.26230	6.2
425.78592	3.4
461.28995	4.9
497.30637	4.7
515.38281	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.1
55.05503	19.8
57.03438	11.8
57.07071	4.7
61.02926	5.0
61.93486	2.8
64.79647	2.3
65.03951	4.1
67.05508	100.0
69.03436	9.6
69.07065	22.4
69.24425	13.3
69.24854	11.4
71.05014	3.6
73.02930	3.5
74.59361	2.7
78.41011	2.3
79.05496	56.5
81.03432	6.2
81.07059	98.1
83.04993	5.4
83.08630	10.6
85.02893	5.2
85.06543	3.9
91.03982	3.4
91.05481	35.3
93.07046	58.7
95.04964	3.8
95.08617	77.5
97.02881	5.0
97.06557	7.7
97.10166	5.8
99.08139	2.9
105.07044	29.0
107.08597	41.4
109.06584	4.6
109.10171	35.7
112.15248	2.6
117.07051	9.9
119.08569	20.3
121.10138	31.1
123.08122	4.3
123.11729	21.6
125.09680	3.9
127.03952	4.0
131.08583	24.3
133.10133	18.7
135.08086	3.8
135.11720	24.8
137.13263	6.8
143.08586	4.2
145.05022	3.2
145.06430	2.5
145.10112	20.8
147.08057	2.9
147.11674	14.3
149.13254	20.5
157.10214	4.0
159.11681	20.5
161.09645	3.2
161.13242	14.2
163.11189	3.4
163.14806	13.1
171.11771	4.9
173.13274	18.2
175.14870	6.1
177.12831	4.4
177.16364	3.0
179.14270	3.6
187.14903	7.8
243.21065	19.9
261.22171	60.9
279.23267	5.0
292.94012	2.9
303.23264	3.8
335.25775	22.9
345.24246	4.0
353.26837	16.2
369.24347	5.0
405.26065	5.2
419.27863	3.4
463.13577	2.4
497.31201	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83987	3.8
53.03945	8.4
55.01859	5.8
55.05516	24.3
57.03429	11.6
61.02913	7.6
67.05509	95.6
69.03416	15.8
69.07055	20.0
71.47955	8.4
79.05494	51.6
81.03419	14.7
81.07063	100.0
82.38067	3.9
83.04967	9.0
83.08607	8.3
85.02905	11.4
88.99586	5.1
91.05505	40.0
93.07053	55.6
95.04964	8.6
95.08617	59.8
97.02910	10.8
97.06496	5.4
97.10156	6.5
99.08044	8.0
105.07050	32.8
107.04995	4.9
107.08602	46.8
109.06533	10.6
109.10154	39.5
111.08070	5.2
117.07028	18.6
119.08615	31.4
121.06535	5.2
121.10153	32.4
123.08051	4.9
123.11710	10.3
129.06993	10.8
129.81041	4.6
131.08569	30.3
133.10173	22.1
135.11699	25.9
137.09677	6.1
141.06950	4.7
145.10114	19.1
147.11681	19.4
149.13264	14.3
151.07489	4.0
157.10173	7.2
159.11726	14.0
161.13237	8.3
163.14833	9.0
169.10117	5.3
171.11722	8.4
173.13252	11.6
175.14752	7.1
177.09138	8.1
185.13284	7.8
205.08607	7.8
243.10129	4.7
243.21103	14.7
254.75125	5.8
261.22186	39.5
279.23230	5.8
303.23111	8.7
335.25763	17.6
345.24408	9.7
353.26773	16.0
369.24451	5.9
419.27902	11.6
497.30948	9.4
515.20447	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	515.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47572	1.9
53.03931	5.5
55.01867	7.7
55.05515	22.8
57.02447	2.2
57.03431	7.6
57.07087	2.7
58.06599	3.2
65.03938	2.5
67.05508	55.7
69.07066	18.5
71.04990	3.0
71.52105	3.6
76.25459	1.9
79.05500	48.1
81.07062	43.3
83.04984	18.1
83.08613	8.0
85.06536	3.4
91.05486	30.6
91.72341	1.8
93.07049	50.9
95.04987	4.1
95.08605	33.2
97.06520	9.8
97.10173	7.3
103.03922	2.1
105.07045	24.8
107.08601	27.5
109.06565	3.2
109.10156	15.6
111.08150	3.9
117.07006	13.3
119.08595	17.9
121.10160	17.0
123.08054	2.3
123.11735	3.3
125.09616	5.1
128.06230	2.4
129.06985	6.4
131.08597	17.8
133.10150	16.7
135.08025	3.6
135.11697	33.3
141.07007	3.1
143.08553	8.0
145.10127	18.0
147.11702	7.3
149.13289	4.3
151.07607	2.1
153.12767	9.5
155.08604	3.8
157.10149	8.9
159.11757	12.9
161.13275	7.3
163.11201	6.7
169.10112	3.7
171.11719	6.9
173.13287	10.6
175.11208	2.6
181.10208	2.1
181.12300	8.3
183.11765	3.4
185.13263	5.3
187.14856	5.3
189.16531	2.4
195.11693	2.4
197.13310	3.7
199.14810	3.2
205.51398	2.0
213.16414	2.6
223.14633	2.9
261.22086	4.7
288.42883	2.2
405.31674	3.6
423.32574	14.4
441.33621	7.6
459.34845	2.8
492.51651	2.1
497.36145	2.8
515.31616	78.4
515.37567	100.0
525.80988	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
55.01863	4.2
55.05511	22.6
57.03431	6.6
57.07071	4.3
57.58848	1.3
64.47716	1.3
65.03943	2.4
67.05508	61.2
69.03448	2.0
69.07068	18.0
71.01362	1.4
71.04980	5.0
71.51361	2.9
77.03951	1.8
79.05495	56.6
81.03422	4.1
81.06590	3.1
81.07058	50.6
83.04993	10.7
83.08609	6.6
85.06548	3.3
86.35019	1.4
91.05482	35.3
93.07045	62.5
95.04979	7.3
95.08607	29.9
97.06522	7.4
97.10165	8.5
99.37485	1.4
103.05447	2.2
104.28476	1.4
105.04518	2.6
105.07035	20.1
107.04972	2.2
107.08602	32.9
109.06574	2.4
109.10175	12.2
110.30153	1.4
111.08067	4.2
117.07025	11.6
119.08590	17.5
121.10152	19.6
123.11673	3.2
125.09628	2.2
128.06233	1.9
129.07011	4.1
131.08572	16.5
133.10138	11.6
135.11696	42.4
137.09628	1.9
143.08575	6.2
145.10143	19.3
147.11674	7.9
149.13248	3.3
153.12729	4.9
157.10167	5.5
159.11662	11.0
161.13264	5.0
163.11203	5.6
163.14917	2.0
169.10062	3.3
171.11714	6.3
173.13268	7.1
175.14845	2.4
181.10188	2.0
181.12230	7.4
183.11798	2.8
185.13324	4.0
187.14867	3.3
197.13316	1.7
213.16408	2.6
215.18105	1.4
223.14580	1.3
253.98056	1.5
261.22189	6.8
299.23450	2.0
325.25555	1.7
334.89365	1.6
405.31604	3.3
423.32571	9.1
441.33560	2.4
459.35129	1.6
497.36267	5.4
515.37341	100.0
516.37799	4.7
522.22766	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.5
53.77602	1.5
55.05521	19.1
56.01954	1.5
57.03430	5.1
57.07066	1.8
65.03937	3.8
67.05511	63.2
69.07075	15.6
71.01335	2.0
71.04995	2.8
71.24914	2.5
77.03963	2.0
79.05499	58.3
81.03426	4.2
81.07062	50.2
83.04983	7.3
83.08603	7.5
85.06535	3.6
91.05492	34.5
93.07053	68.8
95.04964	5.7
95.08611	29.7
95.12099	1.6
97.06530	8.5
97.10177	8.5
99.08111	2.4
105.07036	24.1
107.08604	40.6
108.99444	1.7
109.10166	12.0
111.08082	3.2
113.00060	2.0
117.06282	2.2
117.07012	12.7
119.08586	21.3
121.06484	3.4
121.10157	21.0
121.88069	1.8
123.08032	3.0
123.11691	5.2
125.09643	2.5
129.07005	5.2
131.08607	20.0
133.10135	13.6
135.10703	3.3
135.11700	46.0
143.08575	6.0
145.10130	17.7
147.11671	9.2
149.13220	4.9
155.08566	2.8
157.10126	5.2
159.11725	9.0
161.13242	6.8
163.11176	4.7
163.14755	2.5
169.10100	3.6
171.11679	5.5
173.13298	8.7
175.14816	3.8
181.12239	6.7
183.11697	1.8
185.13249	2.1
187.14828	6.4
193.17342	1.8
199.14876	2.3
201.16267	2.1
211.14774	1.8
227.17993	2.4
243.20810	1.9
261.22125	4.0
263.09167	2.0
319.99084	1.8
423.32489	6.9
515.37195	100.0
515.50446	3.4
516.37421	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	516.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42890	0.3
54.71111	0.4
56.05030	1.9
58.29190	0.3
69.07071	4.5
70.06598	0.6
71.46999	0.6
74.06079	2.8
74.57406	0.3
76.76194	0.4
86.09710	100.0
87.10033	0.9
97.68349	0.4
98.06067	0.6
114.73040	0.4
116.07086	0.8
126.05529	5.0
144.06570	0.5
144.67850	0.4
157.13350	4.6
165.45653	0.4
175.58133	0.4
185.12892	4.7
189.12370	2.4
201.42181	0.4
203.51479	0.4
209.15416	1.6
211.14508	1.3
239.13911	20.8
257.14978	16.1
260.16251	1.2
277.68680	0.6
300.19266	1.0
328.18689	28.7
441.27090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09308	0.7
55.01879	1.3
57.03449	1.0
63.34732	0.7
67.01833	1.1
69.03437	1.5
70.06609	1.3
71.50816	1.1
72.08155	2.0
73.51501	0.7
75.05611	1.0
75.60439	0.8
81.03416	1.3
84.08144	1.4
85.02898	7.0
86.09708	3.5
97.02880	2.3
101.80047	0.7
109.02859	1.7
115.86220	0.8
129.10246	1.2
131.04918	0.9
136.07521	0.8
137.06009	1.1
137.40331	0.7
147.04459	1.5
149.02390	1.0
151.03915	1.7
161.05995	2.0
163.03854	0.9
167.03448	1.1
171.04489	0.8
175.07568	0.8
177.05449	1.3
181.04956	0.8
189.05469	14.9
193.04967	6.2
195.02994	1.0
203.07063	6.7
205.04965	97.0
206.05724	9.5
207.06517	1.2
211.07689	0.9
217.04993	15.4
217.08604	1.6
219.06548	2.2
227.06999	3.8
229.04987	3.7
230.05643	2.2
231.02983	1.3
231.06523	26.1
232.06998	1.0
233.04465	1.2
235.06018	100.0
243.06580	1.7
245.04382	1.4
245.08107	10.5
247.06139	1.0
255.06580	4.1
257.04431	1.3
259.06027	42.9
271.06003	9.8
273.07544	2.2
283.05988	11.9
289.07083	28.5
301.07074	19.1
301.09756	0.6
310.59753	0.8
319.08157	16.5
337.09216	27.9
355.10245	23.9
381.67239	0.8
397.11530	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2649
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
55.05510	1.5
57.03442	1.6
61.02927	2.3
69.03416	6.2
70.06573	3.2
71.04985	5.2
71.35432	2.8
72.08138	1.5
73.02908	1.2
79.05479	1.6
81.03434	6.6
81.07071	1.7
83.04964	2.0
85.02910	15.5
86.09691	5.4
88.93613	1.4
91.05483	2.0
93.07013	2.0
95.04959	3.3
95.08623	1.9
97.02901	5.0
98.33561	1.3
107.08604	5.2
109.02892	2.0
109.06526	4.3
109.10147	2.0
119.08566	2.5
121.10141	4.7
123.08099	2.5
123.11700	2.0
127.03899	3.5
129.05412	1.7
131.04895	1.7
135.08073	1.8
137.05966	4.6
137.09618	5.3
145.04965	1.8
147.04434	1.8
147.11639	1.8
149.09641	4.4
149.13226	2.2
151.11217	17.0
165.12764	29.3
173.13301	1.7
175.07588	2.0
191.14249	7.6
193.15904	3.3
201.05460	3.3
209.15379	100.0
210.15640	2.0
232.41367	1.4
234.06981	1.3
271.09741	2.1
301.10748	2.1
330.09494	1.8
331.12100	2.1
337.10767	1.9
355.11771	3.2
367.13953	2.3
478.16910	1.5
503.37833	1.6
517.18097	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	517.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.8
56.73540	2.8
57.59427	2.5
69.03413	8.7
69.07085	5.6
70.06567	2.9
71.04985	7.4
72.38365	2.4
79.05515	3.5
80.55302	2.7
81.03420	3.1
81.07053	5.7
83.04985	6.9
85.02900	10.0
91.05471	3.6
92.76932	2.4
93.07024	7.0
95.04980	3.4
95.08611	11.0
98.20732	6.3
99.08061	2.9
100.05136	2.6
105.07024	5.0
107.08606	22.4
109.06517	4.7
109.10150	10.9
119.08698	3.3
121.10157	23.7
125.09634	8.4
131.08556	4.3
133.10132	21.1
135.08093	9.7
135.11681	3.8
137.05995	5.1
137.09653	12.5
139.11189	4.3
144.77934	2.7
147.11713	5.3
149.09616	9.7
149.13278	16.4
151.03908	2.9
151.11163	55.6
163.14821	9.2
165.12862	4.1
173.13303	10.5
191.14310	63.0
201.05563	4.0
209.15370	100.0
219.10220	3.6
229.41362	3.6
304.90942	2.9
411.79681	2.9
499.16379	4.8
517.20544	87.3
518.20697	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	517.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.8
55.05507	25.5
57.03440	7.4
57.07061	7.3
61.02911	5.2
61.26354	4.1
65.03955	6.8
66.65659	4.8
67.05177	7.0
67.05508	82.3
69.03421	14.4
69.07071	31.2
69.67882	26.9
71.04977	4.6
72.82883	3.8
79.05492	37.8
81.03427	10.5
81.07062	100.0
82.82082	4.2
83.04987	5.6
83.08614	19.1
85.02885	10.1
91.05482	28.6
93.07062	39.9
95.04970	9.5
95.08618	74.6
97.02922	4.0
97.06541	10.7
97.10176	12.8
99.08145	6.2
104.10669	5.0
105.07031	28.2
107.08611	22.2
109.10165	27.3
111.04425	5.0
112.99963	6.2
117.07024	5.3
119.08583	24.4
121.10135	23.4
123.11720	14.2
129.06958	4.8
131.08569	13.9
133.10138	18.5
135.08070	5.0
135.11662	13.4
136.46236	5.0
137.13297	7.3
143.08554	5.6
145.10123	12.5
147.11714	15.2
149.13277	8.5
151.14809	5.9
161.13268	14.0
163.14810	9.1
164.80214	4.1
171.11732	5.6
175.14720	10.8
179.14342	5.7
184.07379	7.1
239.70116	3.9
245.22685	23.2
249.68619	4.3
263.23730	31.9
291.10223	4.6
303.23199	5.7
331.26416	5.8
337.27289	37.5
389.26923	6.1
489.61789	4.7
499.32736	9.1
516.91345	4.3
517.18591	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	517.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.01857	4.0
55.05514	30.2
57.03439	9.9
57.07084	5.5
67.05506	82.7
69.03437	5.8
69.07069	28.7
69.24313	26.5
71.05005	5.4
71.08633	7.9
79.05495	30.9
81.03413	3.8
81.06587	6.4
81.07063	100.0
83.04986	4.5
83.08617	19.9
84.08719	2.9
85.02905	5.5
85.06572	3.6
85.10207	4.7
91.05492	22.3
91.65491	3.3
93.07050	38.5
95.04976	3.6
95.08614	80.1
97.02898	5.5
97.06534	8.9
97.10175	12.2
105.07044	16.2
107.08618	18.5
109.10161	40.0
111.08122	7.0
113.00013	8.0
119.08581	17.7
121.10155	30.6
123.08098	4.9
123.11698	22.7
126.71110	2.9
127.03922	2.9
131.08607	5.3
133.10147	17.7
135.08142	3.9
135.11656	15.1
137.13309	7.6
139.11156	3.2
141.12808	3.5
145.10219	4.5
145.93723	3.4
147.11697	12.2
149.13260	9.9
151.14825	6.8
155.14326	5.3
161.13269	14.1
163.14839	10.5
165.16382	12.5
175.14874	12.1
179.14363	5.8
189.16438	3.3
245.19139	3.3
245.20224	4.7
245.22664	51.7
248.01637	3.1
263.23712	61.2
337.27319	56.1
353.25076	4.0
355.28973	3.2
405.30103	8.0
499.32593	6.5
537.08997	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	517.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01861	3.6
55.05299	2.5
55.05516	25.9
57.03435	5.8
57.07071	12.5
65.03980	3.1
65.05296	2.5
67.05511	83.2
69.03423	9.5
69.07072	28.5
69.79164	8.9
69.79570	6.7
71.04977	4.2
71.08630	3.9
79.05503	31.1
81.03416	5.7
81.07062	100.0
83.08627	24.0
85.02907	5.9
85.06512	5.0
91.05468	27.4
93.07046	46.0
95.04953	4.9
95.08607	76.4
97.02893	3.3
97.06560	8.1
97.10159	13.4
98.21572	3.3
105.07031	21.6
107.04934	3.3
107.08606	28.4
109.06511	3.7
109.10165	35.6
109.32917	3.4
111.08071	4.3
117.07022	6.7
119.08573	22.7
121.06527	3.7
121.10162	24.2
123.08098	4.8
123.11700	17.4
131.08559	10.7
133.10114	20.0
135.11700	16.3
137.13242	4.6
143.08566	5.7
145.06451	4.2
145.10156	4.7
147.11688	14.2
149.13327	13.7
151.07553	17.0
151.14819	6.1
155.14328	6.8
157.10123	6.6
159.11743	4.7
161.13275	15.0
163.14812	10.4
173.13295	3.6
175.14850	10.0
179.18040	5.9
191.10687	3.9
203.14339	3.3
245.20334	4.4
245.22699	37.4
263.23712	40.5
273.22241	4.3
291.23495	2.9
323.67557	3.1
337.27353	19.8
371.25748	5.3
381.94501	2.8
389.26715	3.1
401.23456	3.3
407.27521	2.9
499.32990	3.8
517.37482	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	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03945	2.4
55.01870	1.9
55.05512	15.6
56.12466	1.2
57.03429	5.6
57.07072	3.2
63.21593	1.2
63.45789	1.1
65.03935	2.2
67.05512	34.6
69.07079	11.8
70.96719	2.8
71.05013	1.9
73.69570	1.3
79.05497	24.9
81.07066	39.9
83.04991	3.7
83.08627	10.1
85.06543	2.6
91.05488	22.7
93.07055	31.8
95.08619	30.2
95.09178	0.8
97.06544	2.2
97.10166	4.9
99.08112	1.6
105.07042	26.1
107.08607	25.3
109.10155	13.8
111.08104	4.0
117.07018	9.4
119.08587	27.1
121.10144	16.5
123.08060	2.1
123.11723	4.0
129.07010	5.1
131.08578	17.9
133.10138	25.6
134.10489	4.0
135.08107	1.4
135.11694	11.4
137.09563	1.7
143.08571	4.9
145.10132	16.7
147.11702	11.2
149.09682	4.4
149.13245	6.9
155.08603	1.5
157.10175	7.4
159.11714	14.1
161.13264	6.4
161.51030	1.3
163.11194	1.7
163.14830	2.8
167.14665	1.2
169.10136	2.7
171.10345	2.1
171.11586	6.0
173.13255	10.7
175.14882	4.2
183.11653	3.2
184.36343	1.4
185.13332	4.6
187.14853	4.9
189.11191	2.5
189.16278	1.4
197.13287	1.9
199.11182	1.6
199.14856	3.8
201.16391	1.9
211.14896	1.7
213.16495	2.5
241.17957	2.1
259.20566	2.7
261.22171	1.8
285.22284	1.7
287.23740	2.4
299.23611	2.1
313.25293	2.6
327.26871	2.0
333.24323	3.8
348.24063	1.3
366.59079	1.5
405.30380	2.8
407.33221	4.3
425.34235	11.1
443.35190	7.9
499.37854	17.7
507.08154	1.3
517.38940	100.0
518.39081	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	517.3893
Annotation	Toonaciliatin K
Peak:m/z	Relative Intensity
53.03947	2.4
55.01863	2.0
55.05241	1.0
55.05513	17.3
57.03442	4.9
57.07080	2.3
59.11157	0.7
65.03940	1.4
66.83057	0.8
67.05510	32.8
69.07074	16.2
71.04998	2.1
71.08651	1.0
79.05501	26.3
81.07060	42.3
81.97044	0.9
83.04988	1.8
83.08624	9.0
91.05485	25.7
93.07050	32.1
95.04987	2.4
95.08614	31.8
97.06542	3.4
97.10162	4.9
105.07040	26.8
107.08600	20.9
108.37307	0.8
109.06529	1.0
109.10155	14.5
111.08084	2.3
113.00004	1.1
115.05463	0.9
117.07012	9.6
119.08588	24.0
121.10154	16.9
122.10527	1.0
123.08099	1.7
123.11695	5.0
125.09621	1.5
128.06250	1.4
129.07001	4.7
131.08574	16.5
133.10129	19.2
135.11707	10.6
139.11223	1.1
141.06960	1.5
143.08543	5.4
145.10133	16.7
147.11703	15.0
149.09618	1.3
149.13280	7.4
155.08556	2.4
157.10162	8.5
159.11693	15.1
161.13264	7.3
163.11136	1.3
163.14861	2.1
165.12810	0.8
169.10127	4.0
171.11661	6.8
173.13271	9.9
175.14868	4.4
177.12775	1.1
177.16364	1.2
183.11745	2.4
185.11858	0.9
185.13252	4.4
187.14876	5.9
189.16418	1.8
197.13344	2.0
199.14822	4.9
201.16412	2.6
205.15988	1.3
211.14848	2.7
213.14728	1.3
213.16492	2.7
215.18015	1.1
219.17429	1.6
225.16437	2.1
231.17458	1.3
241.17784	1.9
245.19121	1.7
253.19670	1.2
259.20599	4.5
261.22180	0.9
273.22131	1.5
285.22253	1.2
287.23749	2.3
297.22394	1.0
299.23764	2.2
301.25339	1.0
313.25269	3.1
325.25415	1.2
327.27176	1.4
331.26300	2.0
333.24445	2.4
337.25546	1.2
339.26724	0.9
341.28409	1.1
347.26270	1.3
380.56644	1.0
391.28494	1.2
397.35275	1.0
405.30185	2.3
407.32852	5.7
419.31693	2.0
425.34216	14.3
427.13116	0.9
443.35281	7.0
447.30875	1.0
459.34955	1.3
461.36642	1.2
472.34521	0.9
481.36841	1.5
499.37912	22.5
500.38602	1.3
501.76114	1.1
517.38916	100.0
518.39099	4.4
533.61389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.77723	1.1
53.03942	3.3
55.01839	1.5
55.05516	15.7
57.03428	7.2
57.07059	4.0
61.83300	1.3
64.40855	1.0
65.03965	1.5
67.05508	30.5
67.98541	1.1
69.07075	18.2
69.53854	8.6
71.04996	2.1
71.08618	1.5
79.05495	24.2
81.07060	37.5
83.04964	1.4
83.08627	10.3
85.06533	2.1
87.04445	1.4
91.05484	20.9
93.06480	2.1
93.07053	32.3
95.04982	2.6
95.08610	29.9
95.60073	1.1
97.06533	3.8
97.10171	6.6
98.20815	2.5
99.08097	1.4
105.07040	28.9
107.08600	22.4
109.06546	1.8
109.10174	13.7
111.08066	2.2
113.00004	8.0
117.07001	9.5
119.08582	30.2
121.10153	17.3
123.08070	2.9
123.11670	6.2
125.09647	1.9
129.07016	4.3
131.08575	19.3
133.10133	22.0
135.08066	1.5
135.11696	9.8
137.09634	1.8
137.13228	1.1
141.06987	2.3
141.79655	1.1
143.08611	8.5
145.10130	20.3
146.47110	1.2
147.08104	1.4
147.11670	14.6
148.26811	1.2
149.09650	2.6
149.13271	6.9
155.08571	2.5
157.10172	6.8
159.11716	16.1
161.13283	7.7
163.11136	1.9
163.14842	3.5
169.10130	3.3
171.11653	6.4
173.13251	11.2
175.14857	4.5
177.16411	2.1
179.14401	2.8
183.11673	3.4
183.24599	1.3
185.13269	6.1
187.03708	1.6
187.14793	5.5
189.16454	2.5
197.13362	2.6
199.14854	3.6
201.16391	3.5
211.14766	1.7
213.14796	1.7
213.16547	2.1
219.17526	1.3
227.18095	1.7
231.17432	1.9
241.17874	2.9
259.20676	3.9
273.22162	1.9
299.23740	3.1
313.21851	1.2
313.25363	2.0
314.27710	3.7
319.22968	1.5
331.26431	4.2
333.24207	1.8
341.28406	1.4
361.27603	2.0
405.30109	8.0
407.28214	1.8
407.33206	5.3
419.31885	1.4
425.34171	15.6
433.29645	1.6
443.35330	7.4
481.37564	1.3
499.37900	23.4
517.38928	100.0
518.39258	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	517.3894
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03939	2.7
55.01874	1.5
55.05514	15.9
57.03439	5.1
57.07071	2.0
65.03940	1.7
67.05510	32.5
69.07072	14.0
69.51949	0.8
69.72984	1.6
69.73398	3.1
71.05003	1.6
73.44943	0.8
73.79794	0.7
75.14710	0.8
75.98743	0.8
77.03933	1.0
79.05501	25.7
79.65179	0.8
81.06590	2.1
81.07062	37.0
82.02727	0.8
83.05006	1.6
83.08625	9.9
85.06551	1.1
91.05489	22.8
93.07052	31.6
95.04968	1.6
95.08616	31.1
97.06523	3.7
97.10180	3.8
105.07043	26.0
107.08607	20.4
109.06534	1.4
109.10173	12.9
111.08084	1.6
117.07034	9.9
119.08594	22.5
121.10164	15.8
123.08076	1.0
123.11747	3.7
125.09645	1.2
128.06261	1.9
129.07025	3.3
131.08578	17.3
133.10149	19.1
135.08105	1.3
135.11699	10.1
137.09660	1.4
137.13286	1.4
141.06972	1.4
143.08575	5.3
145.10143	17.1
147.11711	13.3
149.09656	1.1
149.13277	6.6
155.08597	2.9
156.09335	0.9
157.10144	6.6
159.11729	11.8
161.13272	6.2
163.11118	1.2
163.14859	3.3
169.10165	4.2
171.11702	6.5
173.13289	9.8
175.11234	1.0
175.14789	4.1
177.12900	1.0
177.16476	1.1
182.11023	0.8
183.11792	2.4
185.13278	5.1
187.14828	5.0
189.16310	1.7
191.14304	1.0
197.13376	1.7
199.14876	4.0
201.16389	3.1
203.14415	1.3
203.17931	1.1
209.13507	1.0
209.15405	1.0
211.14912	2.4
213.14699	1.2
213.16512	2.5
215.17955	2.0
227.18144	1.9
231.17538	1.9
233.19215	1.0
241.17891	2.4
241.19975	1.2
245.19072	1.5
259.20627	3.2
273.22217	1.6
285.22198	1.7
287.23486	1.3
299.23752	2.4
301.25250	2.1
309.21970	0.9
313.25455	2.5
315.26852	0.9
317.24863	1.4
331.26401	1.7
333.24091	2.0
391.28522	1.2
405.30084	2.4
407.28436	1.0
407.33289	3.5
419.31860	1.2
425.34155	16.2
431.75409	1.1
443.35321	6.4
481.36832	1.5
499.37921	20.1
517.38940	100.0
518.39227	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	517.4408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	24.2
57.07062	6.6
67.05506	37.8
69.07066	30.5
71.51398	9.8
79.05492	29.5
81.07065	95.9
83.08632	11.3
85.06544	20.8
85.37386	7.5
91.05482	30.2
93.07047	72.7
95.04967	6.7
95.08620	100.0
97.06533	6.3
98.58315	6.0
105.07030	67.5
106.31495	6.3
107.08613	61.5
109.10168	66.7
109.55395	5.9
119.08582	56.6
121.10117	43.0
123.11725	21.6
131.08578	26.4
133.10109	37.8
135.11720	22.0
143.08571	16.2
145.10147	28.2
147.11696	39.4
149.13280	31.9
156.09323	9.3
157.10139	21.5
159.11722	43.5
161.13303	24.0
163.14796	13.3
171.11690	27.2
173.13284	25.3
175.14861	17.5
183.11743	11.0
185.13280	11.8
187.14902	9.3
199.14830	12.5
201.16414	10.6
213.16422	9.0
215.18015	8.6
217.19633	11.9
227.17998	7.1
253.19640	7.9
297.25699	6.2
316.64288	5.7
385.75351	6.1
499.42938	14.7
517.37500	15.3
517.44305	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	517.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.5
55.05497	14.3
57.07071	9.2
66.35734	3.4
67.05512	32.9
69.07062	23.3
79.05489	34.9
81.07063	99.1
83.08636	10.6
85.06540	13.4
90.32993	4.9
91.05492	28.5
92.65829	4.1
93.07053	64.6
95.08611	76.0
97.10136	5.2
100.38148	4.3
102.65822	4.2
105.07037	55.4
107.08597	55.7
109.10165	53.6
117.07020	10.4
119.08586	53.1
121.10172	39.9
123.11709	19.2
129.06990	5.9
131.08572	22.8
133.10158	30.0
135.11679	21.4
137.13310	7.5
142.07770	7.7
143.08537	12.0
145.10104	21.7
147.11699	27.9
149.13240	21.1
157.10103	22.6
159.11693	39.2
161.13280	24.2
163.14841	10.7
169.10081	10.6
171.11691	15.3
173.13272	26.1
175.14864	7.4
183.11699	8.0
185.13310	10.3
187.14772	11.9
189.16342	10.5
197.13226	8.0
199.14828	17.2
201.16312	10.6
209.13225	6.2
211.14861	6.3
213.16330	9.3
215.17831	7.0
217.19505	7.3
223.14743	5.2
225.16499	6.1
227.18021	9.3
229.19470	9.8
234.63136	4.1
235.12448	5.8
255.21001	6.1
266.65424	4.5
269.22778	5.4
295.23843	5.8
332.76563	5.3
338.81039	4.6
346.40378	4.3
414.40506	4.8
421.34778	4.6
499.42773	14.2
517.37262	10.6
517.44116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.4
55.01882	4.2
55.05515	17.1
57.07071	5.9
67.05508	38.4
69.07077	24.4
69.47886	22.8
79.05505	22.6
81.07060	100.0
83.08612	10.0
85.06561	18.3
90.05328	3.3
91.05490	32.1
93.07051	69.1
95.04953	4.0
95.08619	85.1
97.10181	7.6
105.07048	52.6
107.08606	51.2
109.09483	3.4
109.10168	41.5
111.08118	9.1
117.07039	7.6
119.08598	46.7
121.10139	39.0
123.11685	19.2
129.07010	4.1
131.08569	21.9
133.10139	29.0
135.11710	27.9
137.13258	6.9
142.07782	4.6
143.08577	11.7
144.09386	3.9
145.10141	29.7
147.11690	32.3
148.38051	3.0
149.13301	23.6
151.07658	3.3
157.10135	13.5
159.11668	29.0
161.13251	24.3
163.14798	16.5
164.96042	3.6
169.10158	7.6
171.11696	12.9
173.13281	27.5
175.14841	13.5
177.16380	6.2
183.11707	7.6
185.13239	12.2
187.14828	11.4
189.16353	8.7
191.18001	4.6
197.13226	7.4
199.14841	12.3
201.16415	11.3
203.17932	5.3
209.13347	4.0
211.14813	6.3
213.16402	11.6
215.17952	9.8
217.19666	4.3
225.16447	4.0
227.17894	8.7
229.19711	4.0
241.19493	6.3
255.21153	5.2
269.22684	5.7
279.21140	4.0
297.26038	3.6
325.28967	6.1
335.27374	3.6
371.94791	4.2
499.42969	9.2
517.37122	10.3
517.44159	99.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88032	3.6
53.03938	6.8
55.01867	6.5
55.05508	10.3
63.75548	4.1
67.05511	36.0
69.07080	17.7
70.96692	3.9
70.97012	8.4
79.05502	27.1
81.07063	72.8
83.08607	10.9
85.06539	17.5
91.05484	26.0
93.07051	60.3
95.04946	4.1
95.08611	61.3
97.10185	6.4
98.41208	3.7
103.05483	4.5
105.07037	52.7
107.08607	54.9
109.10157	38.7
111.08087	5.8
117.07008	9.8
119.08589	44.8
121.10139	38.1
123.11732	19.4
131.08540	18.0
133.10126	39.0
135.11722	27.3
143.08601	8.9
145.10098	28.0
147.11723	28.4
149.13283	23.9
157.10123	14.8
159.11714	32.7
161.13252	21.1
163.14841	10.3
167.23639	3.7
171.11700	14.4
173.13266	21.7
175.14891	18.4
183.11777	5.6
185.13246	9.4
187.14857	13.1
189.16423	7.7
197.13316	9.0
199.14833	11.8
201.16389	11.8
203.17953	4.4
209.13200	5.1
211.14610	5.2
213.16429	10.7
215.17944	11.0
217.19456	6.3
225.16417	6.5
227.17834	6.2
229.19496	8.6
239.18040	4.9
241.19499	6.0
255.21141	5.1
257.22797	4.3
267.21008	4.9
283.73251	4.1
295.24387	3.9
333.63132	4.5
393.35159	4.5
435.35849	4.4
488.10916	4.0
499.42847	6.6
517.37231	14.1
517.44196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.2
69.03432	8.0
69.07055	4.8
70.02968	5.2
70.06571	12.5
71.50605	5.9
72.04510	16.3
72.08159	11.9
73.02921	9.9
75.73720	5.7
81.03410	21.4
81.90199	5.2
83.04987	9.1
84.04490	5.5
85.02926	10.4
85.06563	6.3
86.09714	19.1
88.41582	4.6
88.42240	5.2
90.05559	35.0
95.04958	8.2
97.02884	13.7
98.02415	22.3
99.04454	6.7
109.02890	34.0
113.06014	6.3
116.03454	16.5
120.08112	4.9
124.07586	21.5
127.03915	26.0
127.20607	5.0
132.06592	13.4
137.06050	30.8
142.08646	20.8
145.04991	6.4
160.09804	6.5
172.09630	7.2
174.11362	5.8
184.09650	38.5
202.10747	86.0
211.09639	8.3
217.07060	6.0
220.11755	27.8
228.46759	5.0
230.10194	12.6
234.09642	9.9
246.12286	5.3
262.12936	17.2
272.05457	8.6
310.12863	12.7
328.13962	100.0
346.10986	5.5
346.15085	14.8
355.17477	6.2
364.16046	69.5
518.23242	30.2
518.29749	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	518.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01071	0.1
55.05513	0.2
56.05032	0.7
57.03420	0.1
58.06637	0.5
58.44674	0.1
60.01082	0.1
60.08168	6.5
62.35992	0.1
67.05511	0.6
69.07082	0.1
70.01153	0.3
70.01563	0.2
71.07378	3.2
79.05501	0.3
81.07042	0.4
86.09710	34.0
87.10052	0.2
89.79713	0.1
91.05467	0.2
93.07051	0.4
95.08594	0.5
98.98463	3.8
104.10748	3.1
105.06979	0.1
107.08600	0.2
109.10194	0.2
121.10154	0.1
125.00010	23.4
129.44490	0.1
136.05858	0.1
152.52078	0.1
155.61548	0.1
184.07347	100.0
185.07689	0.5
202.71770	0.1
217.11346	0.1
258.11151	0.2
335.25873	0.1
500.31476	0.9
518.32465	1.2
522.79065	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.0
56.05032	1.1
57.03425	0.5
58.06604	1.6
60.08170	18.1
66.20995	0.3
67.05508	2.9
69.07065	0.7
69.97901	1.3
71.07377	8.3
79.05501	1.1
81.07066	1.9
83.08627	0.4
85.73502	0.4
86.09713	52.0
91.05483	1.4
91.26601	0.3
93.07071	2.2
95.08630	2.0
98.98479	5.2
104.10753	100.0
105.07051	0.5
105.11108	0.4
105.34872	0.5
107.08600	0.9
107.18044	0.3
125.00014	28.8
160.62253	0.4
163.01578	0.9
174.33284	0.4
184.07355	97.4
185.07784	0.4
258.11084	1.2
335.25928	1.1
494.18951	0.4
500.31378	7.4
518.32489	21.0
519.32715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01865	2.1
57.03445	1.1
65.03944	1.9
69.03432	11.7
71.00023	1.3
71.00394	1.5
71.04990	2.8
73.02911	1.1
81.03421	43.3
81.07072	0.7
85.02911	7.7
91.05485	100.0
92.05818	1.0
93.86674	0.7
97.02895	16.5
99.04452	5.7
103.05431	1.1
105.03384	1.8
105.07038	3.0
107.04969	2.1
109.02888	43.2
110.03683	2.0
111.04460	1.5
115.05472	7.2
117.07027	5.6
119.04943	2.1
121.02839	0.8
125.02363	17.5
127.03922	47.5
132.74524	0.7
133.06496	6.4
137.06012	0.8
143.04935	4.0
145.04991	2.3
145.06511	2.5
151.03929	1.0
153.01842	1.1
153.06918	0.7
161.05986	53.6
169.04971	3.7
171.04425	3.9
175.03902	0.8
179.07063	16.8
181.06453	0.8
185.50117	0.7
187.06036	10.8
189.05484	3.4
190.87636	0.7
199.07578	3.1
205.07059	1.0
217.05043	1.5
221.08165	1.1
235.06096	1.6
251.41267	0.7
253.07097	1.0
256.18884	0.8
269.08179	2.3
277.66147	0.7
287.09097	4.4
305.10242	2.4
347.11292	3.4
353.13928	2.5
398.37720	0.7
408.62961	0.7
431.13791	0.7
459.12784	2.4
477.14114	2.5
501.14081	1.7
512.57495	0.7
519.15057	19.6
531.48743	0.7
537.43048	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.1
55.01870	1.4
57.03442	1.8
61.13655	0.6
65.03939	1.3
67.05531	0.7
68.99798	0.7
69.03436	25.7
71.01362	0.6
71.04993	3.5
79.05496	1.8
79.77470	0.6
81.03424	63.9
83.01340	1.4
83.04999	1.2
85.02917	15.2
89.03899	0.7
91.05487	100.0
92.05848	0.9
95.04985	2.5
95.08605	0.7
97.02895	24.1
98.21534	1.7
99.04465	6.0
103.03997	1.1
103.05483	1.1
105.03421	1.9
105.07027	3.5
107.04977	1.5
109.02888	61.6
109.06548	0.8
110.03679	2.2
111.04452	2.3
115.05461	9.5
117.07025	7.5
119.04971	3.1
121.02871	3.4
123.04439	3.0
125.02357	10.5
127.03924	55.3
129.06984	1.0
131.04959	0.7
133.06499	8.8
135.04405	0.6
137.05997	2.6
143.04932	2.7
143.08588	0.8
145.04977	2.0
145.06494	4.6
147.04413	2.0
149.02379	1.9
151.03897	3.2
153.06972	0.7
155.08617	0.7
161.05997	62.9
163.04004	1.4
165.05486	1.0
169.05000	2.6
171.04433	6.7
175.03960	2.5
177.05522	0.8
179.07045	24.1
179.08549	1.4
181.06543	0.8
187.06017	11.3
187.07509	1.0
189.05473	4.7
193.05023	1.0
195.08023	0.7
197.09775	0.7
199.07573	4.0
205.05038	2.2
207.06593	0.9
211.05974	0.7
217.04980	2.5
217.08540	0.7
235.06061	3.0
243.10304	1.5
253.06989	1.1
269.08157	2.4
271.09793	0.7
287.09149	4.1
295.08142	2.7
305.10269	1.8
313.09033	1.0
315.08572	0.8
333.09799	1.0
347.11237	3.5
353.13925	0.7
365.12305	1.0
459.12714	0.8
477.14014	1.3
519.14966	18.7
519.67383	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.8
65.03939	2.0
66.57125	1.9
67.05500	4.1
69.03427	10.5
69.07078	2.2
69.41455	12.3
69.41872	2.3
75.07489	1.7
78.04712	3.8
79.05484	8.8
81.02988	2.9
81.03423	33.0
81.07053	2.7
81.95436	1.9
85.02894	5.8
91.05482	63.1
95.04981	2.3
97.02887	12.0
98.20757	3.0
99.04480	4.9
103.05462	7.0
105.07031	5.1
106.04150	2.5
107.04967	55.4
109.02895	27.5
109.96506	1.9
111.04417	3.2
115.05464	6.7
117.07016	3.9
118.04128	2.1
119.04931	2.9
121.06474	2.5
122.03635	2.1
123.04435	8.6
124.05199	5.6
125.02359	10.9
127.03919	35.4
128.06203	2.5
128.63567	2.0
129.07025	2.5
130.04158	2.0
131.04921	10.6
133.06482	6.1
133.10083	2.4
137.05984	7.0
137.15778	1.8
141.06989	3.9
143.04860	2.1
143.75706	2.0
145.06490	2.6
147.04414	2.9
148.04953	1.9
161.06007	34.7
167.05699	3.6
167.07037	100.0
169.06421	3.0
171.04422	3.9
171.08130	4.3
175.07524	2.3
176.04712	4.6
179.07120	12.2
179.08476	3.2
182.05829	2.2
184.05223	5.2
187.05980	6.0
187.07512	2.2
189.05470	2.8
189.07033	4.7
190.07825	5.6
191.07043	41.0
191.08495	1.7
193.04947	2.5
199.07564	25.1
201.09132	4.3
202.07817	2.8
203.08578	7.2
205.04810	1.9
205.06613	2.7
205.10107	3.4
207.08157	2.8
215.08678	9.5
218.07230	10.7
219.08000	4.6
231.08012	6.6
232.08798	4.4
233.09637	18.4
235.07558	7.8
241.84180	2.0
246.06779	8.2
247.07516	6.9
249.09131	2.7
250.09967	2.6
259.07538	2.9
260.08322	8.6
261.09149	23.9
262.09702	2.2
263.07095	10.5
264.07813	3.0
269.07980	2.4
271.07639	2.4
273.08859	2.3
274.06158	5.4
275.07065	3.0
276.07993	2.0
277.08649	5.7
278.09381	13.4
279.10046	2.9
287.09344	2.4
289.08646	33.6
290.09433	9.8
291.06610	2.4
291.10114	3.8
292.07419	2.4
292.10730	3.7
293.11661	10.4
297.51883	2.0
299.06308	5.8
306.08820	11.9
307.09647	7.2
308.06720	2.7
321.11224	66.1
322.11887	5.9
323.09192	9.8
323.12463	2.2
325.14371	2.6
338.11401	5.8
347.25848	3.4
353.13828	67.7
354.14377	4.5
355.15555	2.0
400.22891	2.0
421.29416	4.8
477.14093	2.5
507.44098	1.9
519.14899	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	519.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.3
55.01879	1.1
55.05508	0.9
57.03408	1.1
69.03434	1.4
69.58228	5.5
79.05495	4.2
81.03415	3.8
81.07056	1.2
85.02913	2.1
91.05475	9.1
94.04184	4.1
95.08602	1.1
97.02896	1.8
98.20821	2.3
99.00188	0.9
100.11250	2.0
103.05476	2.5
103.55466	0.9
104.00948	1.0
105.07045	9.9
107.04934	4.7
107.08582	1.4
109.02895	3.3
109.06541	1.5
115.05453	5.2
117.07027	2.0
119.04989	1.3
119.08576	3.0
121.06528	2.4
121.10215	1.0
122.03664	7.3
127.03925	5.3
128.06247	3.0
129.07005	4.0
131.04984	2.2
131.08612	1.2
132.05705	2.9
133.06499	7.1
133.10150	1.2
133.76434	1.0
137.05983	100.0
141.06987	1.4
143.06027	1.1
144.05731	1.2
145.06537	2.3
146.03625	1.1
147.04503	1.9
147.08061	4.0
149.06001	3.2
151.03937	1.7
151.07568	1.7
153.07060	1.1
155.04832	1.7
156.05745	1.6
159.04530	0.9
159.08054	4.5
160.05173	2.1
161.06006	18.0
163.07619	2.0
165.07002	4.0
166.07777	1.4
167.07059	2.3
167.08490	1.4
168.05804	1.3
169.06435	1.3
171.08011	1.5
172.05148	4.6
175.07555	22.3
177.07077	1.5
178.07884	1.1
179.07008	1.8
179.08495	1.6
184.05208	2.2
185.05974	2.1
187.07561	16.5
189.06967	2.2
190.07739	1.8
191.08678	1.4
193.06499	2.1
194.07303	6.4
195.08061	2.2
199.07535	16.7
202.07840	1.8
203.08621	1.9
205.06453	3.7
206.07155	1.2
207.08032	1.8
209.09596	1.3
210.06761	1.5
211.07593	2.5
215.08638	1.6
217.08557	1.5
218.07376	1.5
219.08093	4.1
221.06021	3.2
222.06783	3.8
223.07652	1.2
225.09094	2.6
231.08121	2.5
232.08826	1.4
233.05965	2.1
233.09634	2.3
234.06665	2.9
235.07516	3.4
237.09148	7.2
239.07042	2.1
243.08034	2.6
246.06799	1.9
247.07428	1.8
249.09113	2.8
251.07095	1.9
253.08598	3.8
259.07516	1.8
260.08276	2.0
261.09143	3.7
262.06375	1.5
262.09726	1.0
263.07010	1.4
264.07788	1.4
265.08603	13.1
267.10144	2.7
269.11508	1.0
271.07419	2.1
272.10568	5.4
273.11447	1.5
275.10767	2.2
277.08655	5.0
278.09372	2.2
281.11786	1.2
283.09778	1.7
285.11295	9.4
287.10651	1.4
289.08688	4.3
290.09167	1.3
291.10385	1.2
293.11679	2.5
294.08908	1.3
295.09549	1.6
297.11243	21.5
299.06146	1.7
303.10175	4.5
305.07941	1.1
307.09894	1.3
309.11166	3.6
310.11877	1.6
314.68384	1.2
315.12521	2.3
316.26810	1.1
319.11029	1.5
321.11374	7.1
322.12079	3.0
323.12799	4.4
333.11276	1.6
335.12967	6.8
345.11212	1.2
347.12979	2.2
363.09940	1.4
376.10779	1.4
379.13165	1.5
392.10388	1.5
411.15891	2.6
439.15536	5.4
451.15295	2.5
452.16187	1.4
459.18051	5.5
471.18176	8.4
483.17902	1.5
501.19455	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04293	4.1
50.31015	4.1
55.05519	45.1
56.20618	4.1
57.03435	9.1
57.07065	21.6
67.05515	47.0
69.07078	59.9
71.08630	9.8
71.51609	6.0
79.05502	22.2
81.07067	59.4
83.08634	44.1
85.02875	4.7
85.06556	6.2
93.07058	34.1
95.04970	4.7
95.08619	55.1
97.06524	12.2
97.10172	21.7
98.50656	4.8
99.08143	5.3
103.96205	5.6
105.07052	5.9
107.08588	20.3
109.10165	29.0
111.11674	7.6
121.10152	51.3
123.11688	7.0
135.11693	32.4
137.13257	6.7
149.13260	19.2
151.14891	5.8
156.60335	4.5
165.16396	9.7
247.24220	44.2
265.25275	78.6
283.26334	15.5
339.29019	100.0
357.30099	7.4
414.23050	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	520.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76844	3.8
53.52643	4.2
55.05507	5.3
57.03421	15.5
66.85649	4.3
67.05494	6.8
69.03425	13.2
69.07054	5.9
70.06591	10.7
71.04659	5.8
71.05000	69.5
71.18336	8.7
73.02899	4.4
75.04447	6.4
79.05501	5.2
81.03402	8.9
81.07045	13.0
83.04978	17.1
83.08578	4.5
84.08133	13.9
85.02439	8.2
85.02912	100.0
85.06523	9.0
86.09703	11.6
87.00858	6.4
87.04434	4.9
91.05437	10.6
93.07040	25.1
95.08598	7.0
97.02890	10.7
99.04438	11.6
103.05456	9.8
105.01863	7.8
105.07042	14.1
107.04955	9.9
107.08574	8.8
109.02847	14.5
109.10159	10.1
111.04422	7.9
116.01629	5.8
119.08582	8.9
127.03934	29.9
129.05507	36.8
131.04961	5.9
133.10143	6.7
135.08052	6.5
135.11671	5.5
137.05969	27.8
137.09590	16.7
139.03967	7.1
145.04970	7.7
147.04462	8.6
147.06523	16.9
151.11087	7.1
154.06277	23.0
159.09256	5.5
161.05994	8.0
163.07536	17.4
164.09346	5.3
175.07474	6.7
195.10164	38.2
201.16406	6.1
209.78429	4.9
299.06232	4.8
309.11801	5.0
373.17743	13.3
520.20276	8.6
527.72333	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	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.4
55.01865	1.4
55.05521	9.9
57.03445	8.2
65.72477	1.1
67.05507	33.0
69.07059	8.2
69.80422	2.7
69.80828	3.8
79.05081	1.3
79.05502	20.3
81.03415	2.1
81.07061	32.4
83.08625	4.2
85.06521	1.3
86.09692	4.3
88.03985	7.6
90.39610	1.1
91.05476	11.0
93.06489	1.6
93.07050	19.6
95.04921	1.8
95.08612	24.2
97.10145	1.4
98.20893	1.2
98.98486	7.1
105.07038	5.2
106.05032	1.6
107.08602	8.7
109.02885	1.9
109.10162	8.5
109.10800	1.5
117.07022	3.2
117.43998	1.2
119.08579	4.3
121.10160	7.6
123.11726	2.8
125.00033	1.6
131.04878	1.2
131.08554	3.7
133.10156	2.9
135.11705	3.5
145.02888	1.1
145.10056	2.6
147.11667	1.8
155.00995	1.3
159.11711	1.6
161.13153	1.3
173.13283	1.1
177.05409	1.4
184.07330	9.3
185.07706	1.8
246.44263	1.1
261.22183	2.1
335.25827	100.0
336.26019	2.9
457.36975	1.0
474.57419	1.2
502.31497	1.5
520.32806	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	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01858	2.8
55.05508	10.2
57.03429	3.5
59.04993	2.9
67.05489	6.8
69.03423	13.1
69.07040	6.7
69.48197	15.4
71.05000	19.8
79.05515	13.2
81.03404	9.5
81.06666	3.1
81.07067	44.1
82.07312	2.1
83.04967	5.4
83.08598	3.6
85.02911	17.1
85.06573	4.6
87.00814	7.2
88.85204	2.4
91.05475	16.8
92.02230	2.3
93.07036	19.9
95.04957	4.2
95.06911	2.2
95.08620	13.9
97.02892	8.1
97.06518	4.2
97.10174	6.0
99.04421	3.2
99.08109	17.5
105.01871	7.6
105.07031	66.0
107.08595	30.7
109.02876	7.7
109.06505	3.5
109.10159	14.7
117.06989	5.2
118.11565	2.6
119.08586	18.5
121.10139	13.4
123.11697	7.2
125.09646	45.5
127.03915	13.1
127.07539	9.2
127.11198	6.6
129.09010	2.8
131.04944	3.1
131.08572	8.9
133.10133	100.0
135.11656	6.3
137.05965	13.2
138.06306	6.6
139.11208	3.7
143.10683	87.6
145.04922	3.6
145.10101	15.9
147.04474	2.8
147.11685	27.2
149.09496	2.9
149.13248	10.3
151.07489	2.4
151.11111	4.6
159.02843	2.4
159.11656	15.9
161.13249	10.6
167.14293	9.4
169.12195	5.6
173.13260	3.3
192.61812	2.9
201.16338	15.8
219.17445	62.1
220.08241	2.5
237.18556	13.2
239.07036	4.2
272.10440	6.5
272.95193	2.3
347.12769	2.5
520.20721	2.9
547.05865	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	520.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.05033	0.7
57.03441	0.2
57.07095	0.1
58.06639	0.4
59.07396	0.2
60.08167	6.9
61.68149	0.1
63.51966	0.1
64.90646	0.1
65.35096	0.1
67.05507	0.5
69.07062	0.3
70.06594	0.1
70.70857	0.2
71.06986	0.2
71.07377	3.8
79.05513	0.2
81.07065	0.6
83.08611	0.1
86.09709	31.9
87.10004	0.1
91.05482	0.2
93.07049	0.1
95.08617	0.4
98.98473	3.6
104.10748	2.7
121.10176	0.1
125.00011	23.4
143.01045	0.1
149.15489	0.1
184.07347	100.0
185.07703	0.4
205.56779	0.1
258.10919	0.2
308.34238	0.1
337.27493	0.2
502.32986	0.9
504.19177	0.1
520.34088	1.6
524.06744	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35135	0.1
55.05512	1.1
56.05031	1.5
56.34858	0.2
57.03431	0.4
57.07078	0.2
58.06585	1.6
59.07387	0.3
60.08168	16.9
65.03960	0.2
67.05181	0.2
67.05511	3.1
68.97411	0.2
69.07076	1.4
70.01071	0.7
70.06575	0.3
71.07380	6.8
79.05492	0.7
81.07058	2.8
83.08627	0.5
86.09710	53.5
87.10023	0.4
91.05492	0.7
93.07055	0.5
95.08608	2.0
97.10168	0.2
98.20835	0.2
98.98470	4.6
101.07384	0.1
104.10750	92.1
105.07026	0.4
105.11070	0.5
107.08612	0.5
109.10172	0.6
119.08598	0.2
121.10152	0.3
125.00011	31.6
133.10132	0.2
144.51871	0.2
163.01579	0.6
166.06294	0.2
181.02704	0.2
184.07349	100.0
185.07642	0.3
258.10971	0.9
337.27408	1.0
443.25638	0.5
502.32977	7.8
520.34021	22.6
521.34406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.05506	4.9
57.03416	2.7
57.07077	3.4
58.06606	3.7
60.08171	15.1
65.82668	2.3
67.05516	13.1
69.03428	2.5
69.07070	9.3
70.90985	4.2
70.91306	2.5
71.04990	2.6
71.07365	6.2
74.35937	2.4
79.05496	8.3
81.03422	3.1
81.07061	22.5
83.08614	4.3
85.02911	4.3
86.09713	47.0
91.05495	6.3
93.07055	12.3
93.46946	2.2
95.08620	20.5
97.06496	2.7
98.98479	4.0
99.08113	3.0
104.10065	4.4
104.10753	67.5
105.07040	7.8
107.08604	9.2
109.10181	8.2
119.08596	9.0
121.10160	6.1
123.11744	4.9
125.00011	27.5
133.10152	7.2
135.11711	5.7
137.13362	2.5
146.41602	2.9
147.11690	7.2
149.13260	3.7
151.14818	2.8
161.13281	3.9
163.49591	2.2
175.14830	3.2
184.07358	100.0
191.35191	2.2
203.99870	2.4
225.09602	2.3
231.21161	12.0
249.22198	12.9
300.06476	3.3
323.25635	3.7
357.24197	6.8
375.25165	4.9
393.26331	4.9
411.27286	2.8
438.30527	2.3
502.32864	8.4
520.34039	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	521.1301
Annotation	Isorhamnetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03947	6.8
55.01886	3.0
61.02917	3.2
61.93973	1.9
69.03435	46.0
69.07059	4.8
70.68394	5.2
70.68752	4.6
71.04994	3.8
79.05502	4.0
81.03428	28.6
81.07057	4.5
83.01348	3.0
83.04967	6.7
85.02910	45.6
91.05486	5.8
95.04968	4.1
95.08655	3.1
97.02892	40.0
97.06548	3.0
99.04446	14.5
103.05489	2.7
105.07038	3.8
107.04961	4.2
109.02885	100.0
111.04444	6.2
115.03929	2.4
117.07023	2.6
119.04931	2.8
127.03924	64.9
131.04924	5.6
133.06502	2.7
133.10126	2.2
137.05983	18.7
139.03944	5.4
139.39178	2.3
143.08554	3.2
145.04912	13.7
147.04434	4.6
149.05977	2.5
151.03894	4.3
153.01808	6.4
163.07529	3.8
167.07004	3.1
169.04959	11.1
187.06046	9.1
187.07550	2.4
193.60286	2.1
205.07059	13.3
217.08415	2.4
231.04929	2.4
274.04703	2.9
285.04147	3.3
302.04291	8.8
317.06580	62.1
521.19531	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	521.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01860	5.0
55.05506	1.7
57.03423	3.9
61.02922	3.1
66.49866	1.3
67.05502	1.6
68.99775	2.8
69.03426	12.5
70.56477	4.5
71.04977	2.4
73.02896	2.4
81.03418	14.8
81.07037	3.2
83.04945	2.0
85.02910	21.6
87.00830	9.5
91.05476	3.4
93.07052	1.6
97.02885	6.1
99.04462	4.8
103.03954	2.4
103.05473	1.7
105.01883	3.4
105.07052	2.6
105.11178	1.5
109.02870	9.7
109.06526	1.4
111.04416	2.2
119.04976	2.0
123.27895	1.6
127.03908	17.0
129.01855	2.9
131.04913	1.9
131.70294	1.5
137.05952	9.0
145.05029	2.3
147.02972	1.7
147.04388	3.0
151.07567	2.9
159.02885	5.6
161.05962	3.5
165.06921	1.9
175.07501	2.2
181.10033	1.5
183.08109	2.4
184.08449	2.9
195.08192	1.8
196.08644	1.9
197.06070	2.7
207.07956	2.0
209.09668	1.9
211.07553	7.9
212.07980	9.9
213.03978	1.4
223.07410	2.3
224.08269	1.7
225.09171	2.1
226.09717	2.5
227.10612	3.2
229.08568	2.7
230.08868	4.2
235.07556	2.5
237.09174	7.2
238.09848	2.6
239.07039	14.7
240.07382	14.2
241.08324	2.5
242.09410	5.2
249.08939	1.8
251.07072	1.7
251.10555	1.9
253.08604	3.5
254.09409	3.1
255.10246	8.4
257.08127	9.0
258.08444	13.9
262.09888	2.0
265.08572	4.4
265.11990	1.7
266.09436	9.5
267.10294	2.5
269.11774	3.8
271.09613	4.1
272.10443	54.1
273.10852	100.0
277.08716	1.6
279.10202	3.3
281.08368	1.8
282.08829	3.7
283.09885	2.2
284.07599	1.6
284.10455	18.5
285.11093	2.9
293.11768	2.9
297.11234	31.6
308.10803	1.8
309.11179	4.8
311.12659	2.1
315.12283	19.8
321.11169	2.0
332.10516	1.7
335.12662	5.9
339.12341	17.1
363.12299	7.2
381.13284	7.7
399.14542	3.5
426.45059	1.7
437.91327	1.6
459.60239	1.5
485.14267	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97728	2.6
53.03936	7.8
54.78203	2.5
57.03449	4.3
61.02922	6.1
68.99777	5.9
69.03437	19.1
71.04981	5.2
73.02929	4.3
81.03428	23.3
83.04962	3.1
85.02448	2.8
85.02917	44.0
87.00824	11.1
89.02454	2.4
91.05515	3.1
93.07054	2.6
97.02896	9.1
99.04438	7.9
103.03911	2.7
105.01888	6.4
105.07006	5.7
107.05043	2.5
109.02237	2.7
109.02858	16.2
111.04439	7.8
123.04456	3.5
127.03932	30.8
129.01869	3.3
137.05977	19.2
138.06332	5.6
145.04919	6.1
147.02919	4.0
151.03886	4.1
159.02884	6.4
161.05948	7.5
175.07698	3.7
183.08134	3.3
187.07574	3.2
189.03894	4.8
195.08041	3.9
202.91846	2.6
209.09669	5.2
211.07518	6.9
212.07974	12.6
213.03941	3.6
222.06473	3.1
223.07401	3.0
224.07999	3.9
226.09882	3.0
227.10677	7.7
229.08543	3.7
233.09630	3.3
237.09230	12.5
239.07027	10.3
240.07368	15.9
242.09448	7.3
243.10358	3.1
248.08022	3.4
251.06932	4.2
251.10759	3.3
253.08762	4.3
255.10132	9.0
256.10803	3.1
257.08087	7.3
258.08444	10.6
265.08728	12.4
266.09433	16.8
267.09763	5.7
269.07904	3.0
269.11716	9.0
271.09735	6.0
272.10434	59.5
273.10889	100.0
275.10876	3.0
277.08582	4.1
279.10114	6.5
281.08115	4.7
282.08643	6.7
283.09546	4.7
284.10419	31.4
285.11188	6.7
292.10846	4.0
293.11761	5.8
297.11261	57.4
307.13382	3.5
309.11200	10.1
315.12277	35.6
321.11118	5.3
325.10733	3.4
335.12906	5.4
339.12250	29.1
350.11362	3.0
363.12210	9.9
381.13391	15.9
399.14365	7.8
485.13992	4.3
505.33939	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
53.07445	0.4
55.01886	0.4
55.68580	0.4
57.19719	0.4
69.03413	0.4
71.06223	0.8
72.56543	0.4
75.98256	0.5
79.05516	0.6
82.37356	0.4
83.74874	0.4
84.22765	0.4
85.02930	1.4
91.05497	0.6
95.04984	0.9
96.43835	0.4
97.02888	0.7
102.04657	0.4
103.05473	57.5
104.05788	0.4
105.04547	0.6
105.07040	3.7
107.04945	0.5
111.90253	0.5
115.05483	1.0
119.04974	0.4
127.03996	0.7
131.04935	100.0
133.06485	3.3
137.05971	3.6
147.04410	0.8
149.02347	1.9
161.05975	9.4
161.45781	0.4
163.03917	8.2
163.07555	25.4
175.07603	0.7
179.07065	0.7
181.04956	0.6
187.07529	1.9
247.65852	0.5
291.10162	0.6
311.12698	1.1
325.09567	0.5
351.57941	0.5
414.31970	0.4
483.19562	0.4
512.37817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
53.07445	0.4
55.01886	0.4
55.68580	0.4
57.19719	0.4
69.03413	0.4
71.06223	0.8
72.56543	0.4
75.98256	0.5
79.05516	0.6
82.37356	0.4
83.74874	0.4
84.22765	0.4
85.02930	1.4
91.05497	0.6
95.04984	0.9
96.43835	0.4
97.02888	0.7
102.04657	0.4
103.05473	57.5
104.05788	0.4
105.04547	0.6
105.07040	3.7
107.04945	0.5
111.90253	0.5
115.05483	1.0
119.04974	0.4
127.03996	0.7
131.04935	100.0
133.06485	3.3
137.05971	3.6
147.04410	0.8
149.02347	1.9
161.05975	9.4
161.45781	0.4
163.03917	8.2
163.07555	25.4
175.07603	0.7
179.07065	0.7
181.04956	0.6
187.07529	1.9
247.65852	0.5
291.10162	0.6
311.12698	1.1
325.09567	0.5
351.57941	0.5
414.31970	0.4
483.19562	0.4
512.37817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
58.66473	0.6
69.03426	1.2
69.82954	3.3
71.04990	0.7
77.03954	0.7
81.03410	1.1
83.04966	0.7
85.02904	2.4
86.09693	0.8
91.05528	1.4
98.20764	0.9
99.04456	0.6
103.05472	54.0
105.07034	1.0
107.04988	1.3
109.02868	0.7
115.05492	0.7
119.04941	1.9
120.08067	0.7
127.09438	0.7
131.04938	100.0
137.05983	14.4
143.79039	0.6
147.04405	2.1
151.03960	0.7
161.06013	1.8
162.06802	0.8
163.07550	31.9
175.07588	0.7
179.07040	1.5
189.72409	0.6
228.42537	0.7
311.12888	0.8
337.13828	0.8
521.18896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01870	0.4
57.03435	0.8
61.02929	1.0
61.75376	0.4
69.03432	5.2
69.56579	2.1
69.56985	0.7
72.83788	0.4
73.02917	0.4
79.05469	0.4
81.03407	0.9
85.02439	0.7
85.02914	8.6
95.05009	0.5
97.02895	3.4
99.04421	0.5
103.05471	3.9
104.05802	1.8
105.03350	0.4
105.04498	0.5
105.07035	0.6
109.02901	1.0
109.91838	0.4
114.25077	0.4
121.02897	0.6
127.03938	3.7
131.04945	7.1
132.05305	2.3
133.02847	3.4
135.04448	3.2
145.04932	3.0
149.02353	26.3
159.04349	0.4
161.05992	0.8
163.03915	100.0
163.07489	2.0
164.04289	1.1
164.07916	1.1
181.04968	11.2
198.32457	0.4
215.03314	0.4
325.09192	6.8
434.73941	0.5
542.40533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05280	0.9
55.05518	10.5
57.03439	6.6
57.07083	1.3
60.04533	0.9
60.08142	2.6
63.88472	0.7
65.03937	1.3
67.05509	26.6
69.07069	16.2
69.95896	2.6
69.96310	1.5
70.06596	0.8
70.72003	0.8
71.07388	0.9
79.05495	8.6
81.06599	1.4
81.07063	28.1
83.04951	0.9
83.08626	8.0
85.06543	1.2
86.09713	7.6
87.10043	3.1
88.03992	6.0
91.05479	4.6
93.07047	7.4
95.04958	1.1
95.08611	21.3
97.06519	1.4
97.10165	3.9
98.20816	0.9
98.98477	4.6
104.10757	10.2
105.07040	4.5
105.11057	2.0
106.05018	2.0
107.08588	4.7
109.10163	7.6
111.08070	1.1
119.08566	3.3
121.10135	3.4
123.11701	3.2
124.93794	1.9
125.00015	3.7
127.00424	1.5
133.10147	3.9
135.11674	1.7
147.11708	1.9
149.13258	1.5
167.97961	1.5
173.02109	1.4
184.07361	13.5
184.08948	0.6
185.07706	5.0
186.07758	3.4
199.51674	0.8
263.23721	1.8
322.88541	0.9
337.27380	100.0
338.27655	3.1
350.27234	1.3
361.88354	0.8
461.20151	3.1
504.33661	1.3
515.13672	0.9
522.16919	1.9
522.25464	1.5
522.34210	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	522.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48139	5.9
61.83912	4.8
67.05495	14.7
68.15800	5.8
69.03432	11.1
69.07062	11.5
71.04987	21.7
71.17905	10.5
73.06577	5.4
79.05476	19.7
81.03408	8.7
81.07057	88.3
82.26451	4.9
85.02885	19.2
87.00809	12.3
91.05459	12.0
93.07045	40.9
95.08617	20.6
97.02895	9.0
99.04464	5.8
100.34476	5.7
105.01858	20.8
105.07034	45.4
107.08586	55.0
109.02903	8.5
109.10163	33.6
111.08218	5.4
119.08583	100.0
121.10181	7.9
123.11692	17.0
127.03926	19.2
127.11182	23.3
133.10107	38.8
135.11696	96.7
143.10686	8.0
145.05000	6.5
147.11697	21.5
149.13243	5.8
153.12698	11.3
161.13295	19.1
163.14922	6.2
203.17946	55.1
221.19017	58.6
251.68289	5.6
273.68668	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	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
51.64612	0.3
52.21443	0.4
55.05519	1.8
56.05033	1.3
57.03431	0.7
57.07077	0.5
58.06565	1.9
60.08169	15.6
67.05502	1.3
69.07067	2.4
69.36951	2.6
69.37353	0.6
71.07378	7.1
79.05518	0.8
81.07057	1.3
83.08620	1.2
83.51987	0.3
86.09711	49.3
90.09325	0.4
93.00327	0.4
93.07047	1.1
95.08602	1.2
98.98475	4.0
104.10751	100.0
105.11075	0.6
121.10156	0.8
125.00012	28.7
163.01630	0.6
184.07352	98.8
185.07707	0.6
188.03543	0.5
250.15297	0.4
258.11130	1.4
339.28870	1.0
406.36023	0.4
504.34543	8.5
522.35596	26.3
523.35706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51364	0.5
66.70947	0.4
70.06586	0.5
70.84236	1.3
78.28693	0.4
91.05492	0.6
107.04930	0.5
109.02840	0.5
119.04941	0.5
131.04915	1.0
135.08124	0.7
145.93394	0.5
147.04387	0.8
153.91081	0.5
159.04466	2.7
161.06004	0.8
171.04492	0.5
172.05272	0.7
181.23442	0.5
185.05984	2.7
187.03984	2.8
187.05341	0.4
197.05920	0.5
201.05496	1.2
211.07568	1.1
213.05516	1.5
224.04753	2.2
237.05418	0.7
237.19756	0.4
239.07028	2.1
241.05022	1.3
243.06607	1.7
252.04224	0.9
253.05013	1.6
253.08810	0.6
254.09431	1.6
267.06546	7.9
281.08170	0.6
291.06512	0.5
295.05896	0.6
297.07578	0.5
307.05991	1.6
321.08878	0.6
331.07544	1.3
331.11438	0.6
332.08511	1.1
333.09039	0.9
346.09866	0.6
347.10562	0.8
348.07852	0.8
349.08539	1.2
359.06995	0.7
360.07877	2.6
361.08658	1.1
362.09482	0.6
363.10352	1.3
372.07800	0.7
375.10129	3.3
376.07199	1.9
377.07935	2.7
378.09094	2.3
387.06384	1.2
388.07111	3.9
389.08124	1.7
390.09042	1.3
391.09738	4.1
392.10452	1.7
393.11246	1.4
401.07788	0.9
402.08917	2.0
403.09637	6.1
404.06732	1.7
404.11102	0.8
405.07379	4.8
406.08463	3.6
407.13113	0.7
414.09015	0.8
416.06836	1.9
417.06818	0.6
419.08994	5.6
420.10049	3.8
421.10593	4.2
424.09106	0.6
429.07352	0.6
430.08398	3.2
430.25485	0.5
431.09174	10.3
432.10321	2.7
433.06027	0.7
433.10788	1.8
434.07629	1.8
434.12430	0.8
435.12585	4.1
437.10001	1.4
445.10663	2.1
447.08569	6.2
448.09344	9.8
449.10126	14.2
449.15775	0.8
450.11176	0.9
458.07739	1.5
459.08603	7.5
460.09451	1.1
462.11151	9.1
463.11789	13.1
464.12531	1.8
465.09583	2.8
467.14899	1.3
473.10260	1.6
475.07831	1.0
476.08905	9.4
477.08948	23.7
478.10367	1.6
480.12054	3.1
490.10394	7.0
491.11087	9.8
492.11908	8.4
493.08902	2.8
495.14221	9.1
505.12650	15.0
506.17767	1.0
508.11526	10.1
509.11954	0.7
523.13879	100.0
524.14148	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.139
Annotation	Denthyrsinone
Peak:m/z	Relative Intensity
50.48825	0.5
50.54850	0.5
59.32588	0.6
67.05492	0.7
70.89297	1.1
79.05481	0.6
91.05479	1.1
98.28830	0.5
105.07049	1.0
107.04912	0.7
109.10130	0.5
117.07002	0.8
119.04932	0.6
119.08607	0.7
126.69598	0.5
126.78335	0.5
127.41070	0.5
130.95523	0.6
131.05003	0.6
131.08508	0.6
134.39281	0.6
135.08058	1.0
172.05176	0.7
177.05424	0.6
185.06010	1.6
191.07051	1.1
201.05482	4.3
202.06406	0.6
211.07568	1.5
213.05487	1.8
224.04747	2.2
239.07025	3.6
241.04967	0.8
242.05811	1.3
243.06615	1.9
252.04211	1.4
253.05031	2.3
254.09395	5.6
257.08063	0.6
267.06531	10.3
282.05359	0.8
284.53693	0.6
290.05908	0.7
297.07248	0.5
307.06024	2.2
321.09024	0.8
350.09229	0.6
353.18652	0.6
360.07834	1.2
361.08875	1.1
363.10233	1.0
373.08560	0.7
374.09351	0.7
375.10138	1.4
377.08002	1.3
387.06357	1.1
388.07422	1.8
389.08078	1.3
390.09039	0.9
391.09720	2.3
392.10489	1.2
394.08270	0.6
402.08865	1.1
403.09702	4.2
404.10605	1.2
405.07645	2.1
406.08392	1.6
416.06622	2.8
417.07382	1.1
419.09155	4.2
420.10040	3.3
421.10663	2.1
430.08328	2.1
431.09082	7.8
432.09991	1.7
433.06284	1.1
433.11429	1.1
434.07721	1.9
435.12408	1.7
437.10504	1.3
439.11554	0.8
445.11212	2.6
447.08572	4.6
448.09277	4.6
449.10028	4.6
452.08356	0.9
458.07584	1.1
459.08548	8.9
460.09488	2.5
462.11267	6.5
463.11810	6.5
464.12564	2.2
473.10364	4.5
474.10864	0.8
475.07983	1.0
476.08981	7.2
477.09595	9.7
477.14081	3.9
480.11890	1.1
490.10571	1.6
491.11212	9.0
492.11935	9.5
493.08878	1.0
495.14392	13.2
505.12750	8.7
506.13257	0.8
508.11597	1.4
523.13885	100.0
524.14319	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01872	6.9
55.05511	80.3
57.03443	16.3
57.07066	4.6
63.32430	3.5
64.92031	3.7
67.05505	100.0
69.03428	7.8
69.07061	22.0
71.51440	5.4
79.05500	59.1
81.07058	84.4
83.04970	4.0
83.08614	55.5
85.06536	5.3
91.05482	24.7
93.07047	62.3
95.08060	5.2
95.08614	52.5
97.09551	5.7
97.10172	89.4
98.19141	3.1
104.10730	5.8
105.07063	19.2
107.08593	55.6
109.06506	4.6
109.10163	33.6
111.08098	4.8
112.64227	3.3
117.06992	10.0
119.08564	13.3
121.10133	24.5
123.11678	9.4
125.00003	3.1
125.09631	77.0
127.57265	3.4
131.08551	14.2
133.10127	13.0
135.08037	5.7
135.11685	16.4
136.93097	5.0
137.13248	8.8
138.63626	3.3
139.30498	3.1
143.08490	4.4
145.10094	11.3
147.11714	12.3
149.13258	15.2
153.09088	6.5
154.94156	9.3
159.11710	11.7
161.13237	7.4
163.14796	5.9
171.10162	9.1
172.95296	7.7
173.13269	12.3
175.14828	4.0
184.07361	7.1
187.14827	10.6
189.11215	75.9
210.97617	9.4
227.12790	68.1
228.97838	4.7
243.21066	13.5
245.13867	96.3
254.23911	3.4
261.22144	71.2
263.72919	3.3
279.23175	7.4
317.24765	15.5
335.25845	63.2
431.31143	5.5
445.82004	4.0
467.21078	5.2
483.67426	3.4
487.34161	12.0
505.35178	26.6
523.23621	8.9
523.36047	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	523.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.01872	5.7
55.05268	5.3
55.05518	79.2
57.03428	14.6
57.07070	6.6
60.08157	6.6
67.05509	94.2
68.87912	3.6
69.03432	7.8
69.07065	25.3
70.00275	6.6
70.00623	16.5
70.07397	4.5
71.04995	5.3
71.08643	5.7
79.05504	73.1
80.61674	3.9
81.07063	100.0
83.04990	6.8
83.08629	48.2
85.06511	3.3
86.09710	15.9
90.35828	4.2
91.05497	30.9
93.07046	67.7
95.08613	63.9
97.10181	91.1
101.25530	3.3
104.10757	33.6
104.73677	3.3
105.07040	22.8
105.11079	5.2
107.08599	59.1
109.10170	36.2
111.08069	5.0
117.07058	10.2
118.93511	3.4
119.08571	14.9
121.10155	31.5
123.11696	9.7
124.99973	10.5
125.09634	71.8
131.08609	19.6
133.10118	13.8
135.08087	4.7
135.11690	28.0
137.13275	7.0
145.10132	13.5
147.11685	9.8
149.13295	20.5
154.94191	9.9
159.11719	11.2
161.13295	10.1
163.14760	10.8
171.10242	4.2
172.95309	5.9
173.13341	10.1
175.14828	8.1
175.93979	3.5
184.07375	22.1
185.07709	5.3
187.14954	4.9
189.11237	69.5
189.12923	4.8
210.97749	5.3
227.12788	81.3
228.97926	5.1
233.22565	7.2
243.21098	17.0
245.13857	85.2
261.22159	76.6
279.23196	7.9
313.98254	4.2
317.24811	10.6
335.25824	66.4
396.44455	4.0
413.30646	7.1
432.49063	5.7
467.21024	5.6
487.34073	12.0
505.35297	33.3
523.23566	8.8
523.36139	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	523.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87661	9.2
55.05505	83.0
57.03431	17.2
67.05508	100.0
69.03419	14.8
69.07061	25.5
71.51762	20.6
79.05495	65.5
81.07050	93.5
82.48523	10.7
82.63369	9.1
83.08621	46.3
84.29309	8.9
85.28709	10.8
87.19658	8.9
91.04041	10.0
91.05481	29.9
93.07049	52.9
95.04983	10.0
95.08620	68.9
97.10178	80.6
105.07027	18.1
107.08594	66.6
109.10147	35.3
117.07034	10.6
119.08621	18.3
121.10149	22.9
125.09636	70.4
131.08539	21.4
133.10100	13.0
135.08052	13.9
135.11673	27.3
135.47514	9.7
145.10135	17.5
149.13246	17.7
159.11694	17.2
189.11273	57.4
227.12802	59.7
243.21124	20.0
245.13878	83.0
261.22183	57.9
295.38980	9.7
301.20334	10.1
328.81601	13.4
335.25812	59.6
458.48373	12.1
505.35654	15.8
523.36469	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	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.21287	0.3
55.05523	0.7
55.76253	0.3
56.05032	1.6
57.03424	0.5
57.07076	3.0
57.26778	0.3
58.06581	1.9
59.07381	0.4
60.08167	17.2
67.05495	0.7
69.07069	0.6
69.31510	0.6
69.31915	2.3
70.06602	0.5
71.07378	7.0
71.08644	1.5
81.07048	0.9
83.08614	0.5
85.10182	0.9
86.09709	52.3
93.66585	0.3
95.08631	1.5
98.61005	0.3
98.98477	4.4
101.02665	0.3
104.10748	100.0
104.73344	0.3
105.11118	0.5
109.10177	0.5
125.00010	30.8
163.01543	0.8
181.02638	0.3
184.07346	97.1
185.07693	0.6
258.11142	1.1
261.69370	0.3
341.30386	1.7
388.99698	0.4
416.11255	0.4
447.28659	0.4
506.36096	8.5
518.97229	0.4
524.37158	27.0
525.37067	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.2
57.03448	13.2
57.07054	4.2
58.46246	2.2
59.04989	3.5
59.50388	2.1
60.61123	2.1
65.03941	2.5
67.05513	100.0
67.91222	2.0
69.07077	11.5
71.08618	2.0
71.11745	3.2
71.12082	3.9
74.09692	3.4
79.05508	19.0
81.07066	40.5
83.08627	7.9
91.05495	12.2
93.07051	27.0
95.08620	29.0
97.10184	4.6
105.07053	7.5
107.08631	13.9
108.15554	2.3
109.10170	74.7
111.08060	4.2
116.57976	2.1
119.08576	10.4
121.10151	9.7
123.11732	2.6
131.08578	6.7
133.10161	4.7
135.11726	7.3
137.82794	2.1
140.64931	2.1
145.10136	5.6
147.11734	2.9
149.13264	3.7
151.98500	2.4
155.10640	6.1
159.11693	3.6
161.13232	3.8
163.14848	2.7
167.03442	2.3
173.11729	17.0
173.13214	4.8
189.19467	2.2
201.16637	2.8
229.14380	66.3
243.21042	3.1
261.22113	12.6
335.22070	4.3
335.25851	66.6
489.29129	2.8
489.35818	36.7
490.35257	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	525.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	5.2
71.22386	0.9
71.49654	0.7
71.95279	1.8
98.97587	87.4
116.98627	39.4
116.99454	1.8
134.99644	9.3
177.01025	1.1
181.60905	1.1
182.47121	1.0
216.98849	3.3
226.01161	0.9
232.96780	1.2
234.99895	5.1
238.63765	1.0
240.98828	12.3
253.01248	1.3
256.96820	2.7
258.99829	98.3
259.99979	4.3
261.03162	3.6
274.97577	5.6
275.98032	1.0
277.00858	76.9
278.01157	2.3
282.01364	1.2
282.99982	28.8
284.00092	3.1
285.00153	1.2
292.98874	2.5
298.97797	5.6
300.02386	1.4
300.97815	1.5
301.01056	24.3
302.01138	1.5
316.98788	5.8
317.98996	1.6
319.02292	0.9
319.88535	1.0
335.00073	1.0
340.99042	2.2
359.00098	12.6
364.99280	2.5
376.97849	1.7
382.99945	35.3
384.00116	2.6
401.01065	100.0
402.01367	5.7
416.98810	1.5
419.02347	8.5
424.02780	2.8
425.01242	3.3
440.99445	2.1
443.02332	4.5
444.02417	1.6
459.00183	1.9
460.00085	1.4
483.00391	1.0
500.97498	1.1
507.00082	5.6
525.01324	63.0
526.01331	7.0
542.98401	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	525.1182
Annotation	Chrysalodin
Peak:m/z	Relative Intensity
67.71052	0.4
69.46770	2.7
69.47175	0.8
85.02905	0.7
89.03321	0.4
89.64499	0.4
98.20792	0.9
98.21458	1.0
107.04974	1.1
128.86705	0.4
137.05942	0.4
153.51950	0.4
162.06482	0.4
198.03131	0.9
213.05510	1.3
224.04668	0.9
227.07118	1.3
237.05537	1.3
238.06303	1.5
241.04996	4.8
243.56241	0.4
252.04257	0.5
254.67438	0.4
262.34384	0.5
265.05371	0.5
266.05762	2.4
267.06528	9.2
283.06027	0.4
309.09189	0.4
321.09052	0.9
327.44055	0.5
331.07449	0.4
337.08655	0.7
340.07181	1.1
347.07199	0.6
348.07794	1.1
349.08557	1.3
350.09543	0.5
354.54700	0.4
359.06665	0.5
360.07947	0.6
361.08603	1.5
362.09436	1.2
364.11060	0.6
365.08221	1.5
366.08719	0.6
367.09738	0.8
373.07370	0.7
375.06348	1.2
375.10455	0.8
376.07364	1.6
377.07944	3.4
378.08682	0.8
379.09607	0.8
380.10580	1.2
381.07547	0.8
387.06284	0.7
389.07962	0.9
390.08899	3.0
391.09613	3.3
392.10538	1.3
393.07513	1.6
394.08398	0.8
396.06052	0.6
402.08746	0.6
403.06107	1.5
404.06180	0.5
404.10986	0.6
405.07114	1.1
405.11844	0.6
406.08273	1.4
407.09000	1.5
407.13638	2.9
408.09955	2.0
417.07657	0.5
418.08432	1.9
419.09131	2.7
420.10083	5.6
421.06760	0.6
422.07840	1.2
423.12518	3.9
430.08310	1.4
431.04877	0.6
431.09900	0.6
432.06390	1.1
433.11066	3.4
434.11383	0.8
435.08597	1.5
436.09351	2.0
446.08038	3.3
447.08603	2.5
448.09686	2.1
449.10162	1.5
450.11035	1.3
451.11768	4.0
461.10266	4.8
463.07849	0.5
464.09006	3.2
465.09784	2.9
466.10538	0.6
474.07437	2.0
475.08136	2.6
479.11353	5.9
481.12784	3.5
489.09485	1.6
491.07651	2.8
492.08429	4.8
507.10745	7.1
525.11835	100.0
526.12091	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	525.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	1.9
69.59467	10.0
79.05479	1.9
81.07043	2.0
85.02944	1.4
86.06043	2.1
94.42528	1.9
95.08562	2.3
105.06993	1.4
116.07101	2.2
128.06227	1.7
129.07028	1.9
133.96274	1.5
141.06990	5.0
153.07002	3.8
165.06960	1.7
168.05742	2.5
171.08090	2.7
179.14360	2.0
181.06497	5.7
182.07233	3.0
183.08018	2.6
183.11606	1.6
192.12595	1.4
193.06596	1.6
198.06802	3.4
199.07524	16.0
201.09174	2.6
203.90410	1.6
209.06055	1.6
211.07570	11.8
212.08363	3.7
213.09138	22.6
214.09399	1.7
215.07126	3.0
223.07596	2.2
226.06407	1.9
239.06926	8.6
241.08595	100.0
242.09041	3.4
243.10204	3.1
253.12190	9.5
253.38318	1.6
255.10182	6.4
256.11053	7.5
257.11783	1.8
260.93326	1.7
267.10284	3.1
269.08096	6.7
269.11624	2.2
283.09686	11.6
295.09872	1.7
349.27454	4.6
373.12180	2.3
389.11609	3.1
390.12466	4.1
391.09216	2.3
401.11768	2.9
404.14069	2.7
405.10849	2.2
405.31079	1.7
406.11703	3.6
407.12827	2.0
415.13400	1.8
417.10791	2.5
418.11951	2.6
419.16708	2.1
420.17169	5.9
421.14105	4.8
431.12881	4.8
432.13190	3.8
433.14575	7.8
434.11646	2.6
435.12213	4.7
436.16519	6.1
443.12814	2.3
444.13550	2.2
447.15820	5.6
448.12137	2.5
448.17041	4.7
449.13504	7.1
450.14624	8.8
451.18884	4.9
453.17029	3.9
460.12778	2.6
461.13553	3.7
463.15857	8.6
464.16119	11.5
475.15292	5.5
476.16483	12.1
479.18570	45.6
480.18802	2.7
492.16098	8.8
493.16510	20.3
494.16721	2.1
497.19983	8.7
507.10663	3.6
507.18063	66.3
525.18994	19.0
525.35638	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	525.1915
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
55.09262	1.4
58.32538	1.3
67.05505	2.5
70.56529	2.2
70.56871	2.0
79.05513	1.9
81.07043	2.6
83.35435	1.3
84.02566	1.1
91.05493	2.1
95.08649	2.0
117.07020	2.2
125.09666	1.5
135.11731	1.2
141.06990	1.5
151.07585	2.9
161.06035	3.1
167.08534	1.4
171.08057	2.1
177.09155	5.4
183.08136	2.0
186.06798	1.6
195.08040	3.1
196.08910	1.3
201.09129	7.8
209.09660	1.3
211.07600	5.0
212.08333	3.8
213.09155	2.8
223.07672	2.0
225.09172	3.0
226.09885	1.8
229.08623	4.3
235.07538	1.8
238.09856	1.7
239.07048	1.7
241.08719	5.4
245.06120	1.4
251.06960	1.8
253.08670	3.2
253.12318	5.3
255.10199	6.7
256.10901	2.4
257.08221	2.0
265.08603	1.5
267.06638	1.6
267.10187	2.9
269.08188	5.0
269.11847	5.2
271.09763	2.0
277.08734	1.4
283.09744	1.6
285.65616	1.5
293.11960	1.3
299.07132	1.8
301.08795	1.9
303.06641	3.1
329.09641	1.6
335.14951	1.4
344.12115	2.5
345.12958	1.7
359.10745	3.1
361.12445	3.0
362.13031	2.5
369.09457	1.6
371.10767	2.4
372.11618	5.0
373.12387	2.7
375.10132	3.4
377.11746	1.9
379.13104	1.9
387.14050	2.5
388.10895	3.4
389.11630	9.9
390.12555	4.2
391.09473	2.2
392.14801	1.3
393.15115	1.9
399.10138	2.4
400.10986	3.9
401.11676	6.0
402.12814	3.4
403.13431	3.7
404.14178	6.9
405.15121	3.6
406.12073	3.8
407.12744	2.8
415.13397	10.0
416.14615	2.5
417.10864	7.9
418.11893	9.6
419.12457	2.0
420.13541	3.5
421.14587	6.0
422.15192	2.8
428.10556	1.4
430.12238	1.9
431.12875	6.4
432.13684	9.6
433.14584	12.5
434.11508	5.6
435.16016	5.0
436.16995	1.6
437.17297	4.0
443.12958	8.8
444.13956	3.4
445.10797	4.1
446.11240	3.5
447.16272	12.3
448.17136	11.1
449.13861	12.5
450.14911	2.9
451.15115	1.6
459.12186	2.7
460.13046	9.4
461.13766	13.7
462.14957	3.2
463.15619	7.1
464.16397	11.8
465.17133	23.1
466.17688	6.7
469.20578	1.6
474.14828	2.3
475.15469	28.6
476.16354	25.7
477.13107	8.3
479.18796	18.5
481.16324	2.0
489.17130	2.2
492.15723	30.7
493.16534	43.6
493.23691	2.4
494.16986	2.1
497.19904	6.1
507.18155	92.3
508.18655	2.4
525.19171	100.0
525.36096	4.3
526.19684	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	525.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
57.07071	3.0
67.05514	3.3
69.07054	2.1
71.08614	2.2
71.80952	0.6
79.05492	2.2
81.07066	4.9
83.04970	0.8
83.08613	0.9
85.06535	1.7
86.09694	1.5
86.62733	0.6
91.05486	1.9
93.07043	2.4
95.08622	4.0
97.51498	0.6
99.08088	1.2
105.07021	2.2
107.08584	2.5
109.06527	13.3
109.10143	2.2
119.08551	1.4
121.10183	1.4
122.07275	1.2
123.08075	15.3
129.07008	0.7
131.08598	0.8
133.10144	1.4
135.08037	1.5
135.11607	0.8
145.10144	0.9
147.11702	1.5
151.14723	0.7
159.11682	1.1
160.60722	0.8
165.12779	1.0
167.14247	0.8
179.14319	86.7
180.14633	1.2
184.07350	1.1
186.07849	1.3
193.15887	2.3
233.00308	0.7
271.09750	0.7
331.26331	2.8
349.27390	100.0
350.27740	1.7
401.83810	0.7
479.71878	0.8
491.41183	0.8
507.29517	2.5
525.19171	0.8
526.20044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13639	1.2
55.05511	2.0
57.07081	57.6
61.39604	1.2
62.70953	1.4
69.07080	9.1
69.21947	12.2
71.08639	56.2
73.06535	4.6
74.54742	1.3
81.27231	1.3
83.08615	4.4
85.10187	30.7
86.08059	1.5
87.04472	3.2
89.06038	100.0
97.10152	3.7
98.20357	1.5
98.21535	3.1
99.11708	5.7
106.07397	1.5
111.11716	4.9
113.13296	7.2
117.09130	4.3
120.52898	1.2
125.13277	2.6
127.14839	3.9
131.07027	1.7
133.08614	72.3
135.10143	1.5
147.08162	1.3
169.96875	1.3
177.11234	26.9
221.13876	5.9
239.14850	2.9
271.26266	3.7
283.17581	3.9
315.28897	5.0
327.20135	21.1
368.17023	1.5
421.35083	1.6
509.40573	18.8
526.42786	3.0
531.00403	1.4
546.16547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	4.6
62.66444	4.1
68.47246	3.7
69.03416	3.5
70.06598	44.3
71.50969	3.2
71.51353	4.4
72.08170	27.1
73.08466	4.6
80.35593	3.6
84.04483	5.3
84.08157	10.1
85.02936	7.3
86.09686	12.3
91.05483	3.6
92.86434	3.5
98.97563	10.2
107.04946	15.8
110.64803	4.1
110.97598	4.8
116.79145	3.3
116.98656	3.1
117.10275	4.4
124.75224	3.5
129.10243	8.2
137.05939	6.0
161.05977	8.3
181.95700	4.0
193.04813	3.9
219.00418	100.0
228.13530	8.0
237.02971	16.9
271.06458	3.6
273.03131	6.7
291.03760	3.7
311.99860	3.4
347.07303	38.3
381.04929	3.5
383.23694	3.6
398.27597	3.6
421.09207	4.8
504.08783	4.4
527.11670	68.9
527.24487	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	527.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.8
61.54113	0.5
69.03436	0.7
70.06597	6.9
71.04979	0.5
71.50630	0.7
72.08153	3.1
81.94405	0.4
84.04498	0.6
84.08149	1.8
85.02901	1.2
86.09712	2.3
87.05590	0.9
88.03994	0.9
89.48566	0.5
95.09086	0.5
104.05338	0.7
105.40785	0.5
107.04973	4.9
110.07166	4.6
119.04955	0.8
120.08147	0.5
129.10255	1.5
144.07843	0.6
147.04414	0.9
155.04529	0.7
163.03926	0.9
172.07191	1.4
203.03200	4.4
212.10358	0.6
229.09425	1.6
245.04227	1.1
245.06381	1.3
255.06741	0.7
270.11987	0.6
305.08466	5.9
305.11575	0.7
316.94763	0.6
347.09506	17.7
349.43655	0.5
358.62695	0.5
365.08069	0.7
393.09659	0.8
403.08179	0.8
421.09317	0.7
506.93066	0.4
509.12259	1.0
527.13751	100.0
528.13782	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2068
Annotation	Kurziflavolactone D
Peak:m/z	Relative Intensity
61.03505	0.8
64.30232	0.8
71.51189	1.1
71.51552	0.9
75.10275	0.7
85.54771	0.7
91.05518	1.6
93.07059	1.6
95.04988	1.0
105.07037	1.0
121.06535	1.7
151.07581	2.9
152.06180	0.9
155.13242	0.8
159.08040	1.3
161.06038	1.5
165.07042	1.8
166.07729	0.9
169.06587	0.9
171.08075	1.3
175.07671	1.0
177.09151	3.1
181.06438	1.1
182.07343	2.2
183.08148	1.4
187.07497	1.5
188.08411	1.0
193.06544	0.9
194.07310	2.0
195.08105	3.1
196.08871	1.3
197.06001	1.6
198.06752	1.3
201.09090	4.3
203.10738	1.2
205.08658	1.0
210.06808	2.6
211.07558	4.1
212.08385	6.1
213.05588	1.5
213.09109	3.3
215.10773	1.1
217.08369	0.9
223.07549	1.4
224.08426	1.1
225.09113	10.8
226.09839	1.4
227.07101	1.3
227.10725	1.8
228.07817	3.5
235.07622	1.6
239.07074	2.3
240.07843	1.1
241.08533	4.4
243.10211	10.2
249.09401	0.7
253.08612	4.7
254.09575	2.0
255.10217	12.5
256.10864	5.7
257.11740	1.0
267.10156	1.0
269.08112	1.5
269.11847	1.6
270.50955	0.9
271.09668	24.4
272.10385	1.7
283.09689	1.5
293.11780	2.2
331.19403	0.8
359.10431	1.1
371.11151	0.9
373.12408	1.3
374.13174	2.0
375.13895	1.1
385.11984	1.3
387.09982	1.1
388.10962	1.9
389.11719	1.4
390.12225	1.3
391.13272	3.0
392.14117	2.9
401.11865	1.6
402.12546	2.2
403.13391	5.4
404.14264	2.8
405.15039	1.9
406.15750	1.3
407.16116	1.8
408.13226	1.6
416.10153	1.1
417.14975	4.2
418.15796	3.0
419.12650	6.5
420.13425	4.3
422.19128	1.2
423.15848	2.3
425.17358	1.1
430.12057	1.2
431.12863	3.1
432.13501	2.1
433.14413	3.8
434.15073	5.2
435.16147	6.5
436.13022	2.9
437.17712	1.0
445.14413	3.1
446.15424	8.6
447.12189	2.7
449.17780	8.0
450.18491	4.1
451.15308	4.1
460.16638	2.2
461.13669	1.5
462.14767	7.0
463.15359	12.6
464.16171	1.5
465.17322	0.9
466.17676	4.3
467.18277	2.5
476.16211	3.5
477.17096	22.2
478.17773	26.6
479.14832	4.8
481.20218	17.9
484.18607	1.1
493.16589	3.0
494.17245	15.7
495.18124	7.2
496.18744	4.7
509.19662	70.0
510.20123	2.9
512.18311	1.9
527.20612	100.0
528.21057	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	527.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	1.4
71.50785	1.5
79.05475	1.0
81.03386	0.8
81.07058	2.0
82.29269	0.9
84.08144	1.0
85.02919	1.5
91.05498	2.5
93.07067	1.7
95.08639	1.0
95.61726	0.8
97.02894	1.0
98.21067	0.8
99.04465	0.8
105.07063	1.1
107.04998	1.1
107.08612	0.9
119.08521	0.8
127.03939	1.1
137.05945	0.9
166.08595	0.8
203.05249	1.4
243.04829	3.8
245.06366	4.3
261.18311	2.7
263.19867	3.1
279.19321	10.8
287.03751	33.5
289.05328	49.6
374.10654	0.9
441.24792	1.8
483.25720	15.5
527.24701	100.0
528.25024	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	528.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.4
68.05004	0.6
70.06594	100.0
71.05006	0.5
71.06928	0.4
71.51217	0.5
72.08157	0.8
72.31535	0.3
73.31033	0.3
81.77652	0.4
84.04511	4.9
84.08146	1.2
85.02932	1.1
86.09708	17.1
96.04516	0.5
98.06069	2.7
102.05544	4.3
107.04970	0.8
118.06568	0.4
120.08084	0.8
124.03951	0.9
126.05540	1.2
127.08686	9.2
127.09561	0.5
129.10275	0.8
132.10202	4.2
132.98616	0.3
136.07646	0.5
137.05910	0.3
141.06580	2.9
147.04446	0.6
155.08156	17.2
158.20212	0.3
159.07660	3.6
175.02695	0.4
183.14915	5.6
187.07149	5.5
187.08670	0.4
188.36769	0.4
197.12819	2.8
199.10779	0.4
211.14415	5.0
225.12274	0.6
243.13387	4.7
243.15352	0.4
256.12875	2.2
261.14636	1.2
268.16525	1.9
284.12399	8.3
292.19250	0.9
300.15753	0.9
302.13504	1.0
318.16965	0.8
369.21335	2.8
397.20831	11.5
415.21887	22.0
425.20227	0.8
470.73633	0.4
482.29959	0.6
510.29581	0.9
528.30347	28.5
529.30621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	4.6
57.07078	28.7
67.05489	1.9
69.07047	2.3
70.23777	1.6
70.24161	2.4
71.08633	25.9
73.06561	7.1
79.05482	2.4
81.07045	3.2
83.08622	2.9
85.10183	24.8
87.04477	6.5
89.06033	100.0
91.05476	2.7
91.07568	1.8
93.07033	1.8
95.08627	1.8
97.10170	1.1
99.11726	3.5
103.07594	0.9
105.07047	1.9
107.07056	2.1
107.08579	2.0
109.10147	1.1
117.09129	5.0
119.08596	1.8
129.07013	0.9
130.08609	1.8
131.07047	1.6
131.08548	1.7
133.08607	45.1
135.10162	1.0
141.16388	5.0
144.08897	1.0
145.10150	1.4
152.05659	5.5
161.11740	1.1
177.11235	17.7
185.19020	5.1
195.12119	1.4
221.13887	3.0
223.14909	0.8
229.21661	8.7
265.16422	0.9
273.24323	4.8
273.99503	0.8
283.17526	1.8
327.20313	1.7
371.22742	4.9
379.30389	0.9
454.34167	1.0
467.35803	1.1
511.38388	7.7
527.83557	0.9
528.37695	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	528.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54004	0.8
55.05499	3.6
57.07077	16.1
58.06587	1.9
67.05498	5.6
69.07069	4.2
70.06596	16.7
71.08637	8.2
71.52316	1.4
72.08160	1.6
73.02907	1.3
79.05486	3.6
81.07066	7.5
81.15312	0.8
83.08622	3.2
84.08151	2.2
85.10201	2.7
86.09715	1.9
88.07642	6.9
89.06028	1.8
91.05467	2.3
93.07041	4.1
95.08604	5.2
97.10175	1.5
102.09177	3.7
105.07040	2.0
107.08588	2.2
109.10182	2.2
119.08628	1.4
121.10141	1.5
132.10217	5.2
133.10092	1.1
135.11731	1.2
140.19336	0.9
145.10164	1.3
146.11766	6.8
149.13228	0.9
156.17482	0.9
159.11771	1.1
184.20692	1.2
192.58832	0.8
200.20108	2.7
228.23201	9.2
231.52266	0.9
244.22696	15.9
255.23235	1.1
256.26434	1.1
262.23755	1.1
272.25858	11.8
283.26306	24.6
300.28824	0.9
311.29446	23.4
466.45978	1.0
528.49902	100.0
529.38690	4.5
529.50342	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79281	0.4
54.52309	0.4
55.05518	2.9
56.89644	0.4
57.03428	1.3
61.35685	0.4
63.02374	0.5
65.03954	0.5
67.05505	10.1
69.07053	1.9
69.40454	1.0
69.40873	2.8
71.04979	0.5
79.05494	6.8
79.05922	0.8
81.06591	0.6
81.07057	9.3
83.04990	0.5
83.08611	1.2
84.14492	0.4
84.47487	0.4
89.03925	6.3
91.05493	4.5
91.74705	0.5
93.07040	5.6
94.59371	0.4
95.04971	1.1
95.08615	7.7
97.06529	0.7
97.10181	0.6
98.21526	0.5
105.07021	2.7
106.04176	0.4
107.04948	0.6
107.08619	3.1
109.10143	1.9
111.08015	0.5
117.03382	20.0
117.07014	1.4
119.04987	0.5
119.08590	1.9
121.10110	2.2
131.08569	1.6
133.10136	1.9
134.03621	1.0
135.04430	0.8
135.11682	1.4
137.06067	0.4
143.08524	0.9
145.02855	43.9
145.10138	1.8
147.04431	0.5
147.11685	0.9
149.05995	5.2
149.13266	0.7
159.11702	0.8
163.03864	0.9
173.13266	0.5
177.05479	100.0
178.05891	0.7
185.11644	0.4
185.13187	0.5
186.05551	2.0
187.14758	0.6
195.06602	0.5
198.97459	1.4
208.80069	0.5
251.09131	0.5
261.22165	0.6
291.77286	0.5
437.34219	0.8
529.24512	0.8
529.31476	4.2
529.38751	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	529.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.03946	0.6
54.32345	0.2
55.01884	0.3
55.05519	2.6
57.03452	1.3
57.07072	0.3
63.02366	0.4
65.03952	0.6
67.05511	8.7
69.07073	1.2
69.25953	1.6
71.43172	0.2
77.03952	0.2
78.04716	0.2
79.05496	4.2
81.07061	7.2
83.08614	0.6
85.06558	0.3
89.03924	6.5
91.05483	3.1
93.07043	4.1
95.04958	0.4
95.08612	5.2
97.06559	0.3
97.10178	0.3
103.05492	0.3
104.83910	0.2
105.07033	1.7
106.04204	0.4
107.04951	0.3
107.08598	1.6
109.10146	1.2
117.03387	19.8
117.07031	0.7
118.03726	0.3
119.08606	1.1
121.10147	1.3
123.11697	0.5
124.23158	0.2
129.07065	0.4
131.08609	1.0
133.10103	0.7
134.03641	1.4
135.04413	1.0
135.11708	0.7
137.05975	0.3
141.79321	0.2
143.08588	0.3
145.02855	45.0
145.10127	0.9
146.03227	0.4
146.55330	0.2
147.11678	0.6
149.05992	5.9
149.13268	0.5
155.08588	0.3
157.10144	0.3
158.06024	0.5
159.11694	0.6
161.13260	0.4
162.03192	0.4
163.03885	0.8
173.13300	0.2
177.05479	100.0
178.05849	1.2
185.13319	0.2
186.05492	2.0
195.06557	0.7
195.13812	0.2
198.97476	0.6
228.50064	0.2
251.09148	0.4
257.08047	0.5
277.89249	0.2
335.25772	0.2
437.34424	0.4
455.18326	0.4
457.45099	0.2
529.18677	2.5
529.31348	2.0
529.38660	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.3
55.01878	1.8
55.05518	15.1
57.03438	3.8
57.07069	3.1
63.68847	1.0
65.03946	3.6
67.05509	56.0
69.07072	19.6
70.96739	1.7
71.05003	3.0
79.05499	46.3
81.03396	0.8
81.07062	61.7
83.04990	4.8
83.08622	9.0
85.06552	2.9
91.04916	1.2
91.05485	28.1
93.07050	58.6
95.04965	4.1
95.08614	30.5
97.06556	6.6
97.10176	2.6
99.08135	1.8
105.04546	1.9
105.07032	17.0
107.08601	28.4
107.09309	1.7
109.06474	1.4
109.10167	10.1
111.08084	4.2
115.05440	1.2
117.07024	11.2
119.08585	13.1
121.10151	24.2
123.08046	1.1
123.11696	2.2
125.09614	1.3
129.07019	3.4
130.07793	1.0
131.08577	15.7
133.10126	10.7
135.11687	12.9
135.12604	1.3
143.08617	4.5
145.10123	9.1
147.11682	6.2
149.13268	26.6
151.11197	1.0
155.08556	1.2
157.10188	4.1
159.11708	14.3
159.13036	1.1
161.13287	2.5
163.14897	1.7
171.11754	2.4
171.31285	0.9
173.13232	5.5
175.14833	1.8
177.12682	4.2
183.11722	1.9
185.13281	1.4
187.14865	2.8
189.16267	0.9
195.12163	1.0
195.13820	5.3
199.14857	1.7
211.14915	1.0
213.14792	1.2
214.15311	0.8
243.21138	1.4
261.22241	5.2
264.92480	0.9
317.24789	1.3
324.18457	1.0
341.24585	1.5
419.32935	1.6
437.34100	5.9
455.35419	2.2
473.36261	1.2
511.38080	3.3
529.38928	100.0
530.39331	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.0
53.03936	4.9
55.01854	1.0
55.05268	2.0
55.05515	24.1
57.03439	6.9
57.07069	3.8
62.08653	1.1
65.03935	4.6
67.05508	78.9
69.03432	2.0
69.07072	25.9
69.94858	5.7
71.04979	3.4
73.02931	1.4
77.03923	2.0
79.05500	63.9
81.03413	3.5
81.07059	85.1
83.04975	4.9
83.08627	12.2
85.06554	3.2
91.04911	1.7
91.05484	40.3
93.07050	80.5
95.04980	6.0
95.08614	38.0
97.06543	8.2
97.10165	1.8
98.20896	1.3
99.08084	1.6
105.04535	2.7
105.07040	22.1
107.08599	38.4
109.06509	2.8
109.10154	10.3
111.08078	5.1
117.07023	13.1
119.08572	14.7
121.06544	1.4
121.10146	31.4
123.08110	2.1
123.11720	2.5
129.07027	3.5
130.91745	1.2
131.08574	20.0
133.10150	13.4
135.11694	16.5
139.11143	1.7
143.08612	3.0
145.10127	9.0
145.12994	1.0
147.11723	7.2
149.13280	32.0
153.67215	1.4
157.10132	3.2
159.11688	16.8
161.13278	2.7
163.14845	1.4
166.01591	1.6
171.11679	4.2
173.13289	7.2
175.14908	1.8
177.12766	6.0
183.11693	2.0
185.13292	2.4
187.14883	3.7
195.12280	1.2
195.13762	8.2
197.13274	2.7
199.14893	2.6
252.66995	1.3
256.26315	2.0
261.22086	6.3
271.20496	1.4
290.83643	1.3
317.24792	1.4
437.33978	6.8
455.35040	2.9
511.37988	2.3
529.38934	100.0
530.39148	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.1
52.88578	0.8
53.03937	3.8
55.01867	1.3
55.05272	1.2
55.05517	18.3
57.03448	5.9
57.07081	4.7
63.64987	0.9
65.03938	2.6
67.05511	45.6
69.07073	18.3
69.46066	2.0
69.46472	4.5
69.72824	0.8
71.04996	2.5
71.08624	1.7
79.05499	30.9
80.22803	0.8
81.03420	1.0
81.07063	47.0
83.04976	3.1
83.08630	10.4
85.06540	2.2
91.05488	26.3
93.06484	1.9
93.07052	35.2
94.64049	0.9
95.04987	3.1
95.08613	26.8
97.06551	5.6
97.10191	5.8
99.08096	1.5
105.07037	23.5
107.08603	21.1
109.06561	2.1
109.10162	11.2
111.08100	2.9
113.09660	1.0
115.05446	1.8
117.07027	13.0
119.08584	20.5
121.10143	12.7
123.11723	3.2
125.09589	1.3
128.06258	1.5
129.07019	6.0
130.07785	1.0
131.08575	22.1
133.10130	15.3
135.11713	9.6
137.13347	0.9
141.07018	1.6
143.08580	8.6
145.10149	17.6
147.11711	9.4
149.13249	10.5
151.11143	1.3
155.08583	3.3
156.09523	1.2
157.10172	10.3
159.11702	16.8
161.13254	5.5
163.14845	1.6
167.08656	1.1
168.09261	1.0
169.10170	4.4
171.11687	8.6
173.13298	11.4
175.14883	2.5
177.12746	2.2
181.10170	1.8
183.11707	3.9
185.13257	6.6
187.14784	4.3
195.11838	1.9
195.13806	2.5
197.13251	3.5
199.14865	2.9
201.16451	1.8
209.13304	1.2
217.15971	1.0
223.14775	1.4
225.16429	2.0
227.18144	1.2
261.22177	1.7
271.20517	1.7
285.22107	1.4
297.22095	1.8
299.23877	1.3
311.23584	2.3
313.25076	1.1
315.23318	1.9
322.78381	0.9
325.25250	2.1
329.24823	1.8
341.24948	1.0
343.26465	1.0
353.49536	1.1
363.32703	1.7
399.34900	3.4
417.30457	1.5
419.33536	4.4
437.34216	16.0
455.35406	5.0
473.16254	1.0
475.35913	1.0
485.36090	2.0
493.37061	2.3
511.37735	8.5
529.28680	2.8
529.38928	100.0
530.39539	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01869	4.1
55.05516	50.4
57.03188	2.5
57.03442	26.5
57.07081	42.2
57.44920	1.9
60.22699	1.7
65.03960	3.9
67.05511	86.5
69.03419	2.3
69.07073	73.0
71.04988	7.5
71.08637	31.6
75.04470	7.6
79.05495	50.2
81.03408	3.4
81.07063	100.0
83.04974	7.2
83.08155	3.3
83.08624	50.1
85.02898	2.3
85.06506	3.6
85.10182	13.8
87.04476	1.9
89.19361	1.8
91.05485	26.5
93.07052	61.2
95.04967	4.2
95.08614	86.9
97.06532	16.9
97.10178	32.3
101.05986	3.2
104.48663	1.9
105.07053	18.2
107.08607	37.0
109.10168	39.8
111.08112	9.6
111.11720	9.5
113.05972	3.6
115.07519	2.2
117.07042	8.7
119.08622	9.7
121.10152	37.9
123.11727	13.9
125.09633	6.3
125.13264	4.4
129.07002	4.2
131.07034	6.1
131.08527	13.8
133.10133	14.0
135.11708	30.0
137.13245	7.7
139.11162	4.0
143.08556	3.1
145.10146	13.7
147.11705	5.9
149.13266	22.0
151.11203	2.3
153.12799	3.8
155.08521	3.6
157.10135	6.4
159.11702	12.1
161.13243	5.3
163.14847	7.7
167.08525	1.9
167.14278	5.2
169.10112	3.7
171.11708	4.5
173.13242	4.7
175.14839	2.5
176.28918	2.0
181.10103	2.1
181.15901	3.4
185.13266	6.6
185.15356	3.2
187.14812	4.4
191.18033	2.6
195.13878	4.4
195.17441	3.2
197.13318	2.9
207.11664	2.4
209.13277	3.0
209.18932	2.2
219.21059	3.6
233.22536	2.0
261.22141	3.3
317.32117	3.5
327.30429	2.6
335.33057	9.4
345.31354	13.4
363.32645	36.2
376.49100	2.0
399.34735	43.9
437.36325	28.9
455.37366	44.9
456.37213	2.5
502.05396	1.9
511.39801	15.7
529.39276	74.6
530.39075	2.1
547.56879	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.2
55.01862	1.3
57.03462	0.6
57.25455	0.6
66.44574	0.5
69.03433	1.4
70.04621	2.0
71.04993	1.7
81.03427	20.4
85.02924	4.1
91.05497	1.2
97.02901	4.3
98.20821	0.5
99.03846	1.0
99.04465	14.5
103.03948	13.3
109.02888	33.8
122.03495	0.5
127.03928	100.0
145.04973	6.9
145.06094	0.7
145.06532	0.5
169.04987	20.0
187.06036	23.0
211.06085	1.6
229.07094	34.6
246.59660	0.5
289.09158	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	530.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
69.03431	1.6
69.34592	7.8
71.04966	1.6
74.06061	2.7
74.09717	5.5
81.03423	23.1
85.02899	4.7
91.05478	2.0
97.02901	4.4
98.21513	1.9
99.04460	15.4
103.03947	15.3
107.04950	1.3
109.02888	35.2
127.03923	100.0
145.04944	8.6
161.06053	1.1
169.04982	19.9
180.66588	1.1
187.06029	21.2
204.16243	1.0
211.06015	1.4
222.06639	1.1
229.07076	36.5
257.65097	1.4
289.09201	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	530.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28176	0.9
53.03962	4.4
54.14899	0.7
69.03417	2.3
70.06585	1.7
70.84266	2.1
71.04993	2.8
81.03421	44.1
85.02919	5.0
86.09686	1.0
88.48540	1.1
88.50488	0.9
91.05486	4.0
95.04953	1.1
95.08596	1.2
97.02298	1.5
97.02893	23.3
99.04453	5.7
102.10382	1.0
103.03940	2.7
105.07106	1.1
105.52468	0.8
107.08601	0.9
109.02884	100.0
117.07034	1.5
119.08643	0.8
127.03923	41.6
127.28948	1.0
135.41429	0.8
137.06073	0.9
139.03909	5.9
139.27844	0.8
141.05434	1.0
145.04958	2.3
145.06467	3.1
145.10175	1.0
161.11346	0.9
169.04961	12.9
176.64153	0.9
177.28545	0.9
179.06973	1.6
180.54993	0.8
187.06020	3.3
189.05453	1.9
229.07079	37.9
289.09201	3.8
398.23434	0.9
415.28046	0.8
485.23679	1.0
537.36041	0.9
541.59265	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03946	3.7
55.72028	0.7
61.02943	0.9
67.05537	0.6
69.03430	1.3
70.06592	0.8
71.04979	1.8
81.03422	24.2
85.02903	5.2
91.05522	1.0
97.02902	11.1
98.21280	3.8
99.04462	4.7
109.02888	100.0
110.03226	1.0
127.03930	48.7
127.29612	0.8
139.03944	4.4
141.51524	0.7
162.08441	0.6
165.81479	0.7
169.04970	21.5
169.06392	1.3
187.06021	2.5
211.06012	0.9
219.54271	0.8
229.07069	11.9
243.70309	0.6
289.09177	4.4
379.23550	0.7
395.33249	0.6
455.61896	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.6
57.03437	12.8
57.07082	29.4
65.03950	2.3
67.05196	3.0
67.05514	42.6
69.07070	18.8
71.04973	3.6
71.08637	19.4
71.52373	4.1
79.05480	11.2
81.07063	71.1
83.08603	10.0
84.75979	2.5
85.06550	12.1
85.10171	11.9
87.04478	30.6
87.16491	2.4
89.06039	4.0
91.05506	4.4
93.07036	4.9
93.10304	3.3
95.08615	75.6
97.06536	4.1
97.10192	2.6
99.08055	3.4
102.99639	2.4
105.07034	6.0
109.10140	9.3
119.08586	7.5
121.10181	3.2
123.11698	5.4
137.13310	3.7
147.11693	15.0
165.12737	8.2
181.32562	2.5
183.13864	4.1
217.09795	2.3
231.88837	2.3
241.43279	2.7
248.23976	3.3
248.87949	2.9
257.17499	100.0
276.90897	4.4
313.27386	86.7
495.40479	58.4
530.38416	4.3
530.46729	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	531.1848
Annotation	Isoswertisin 2''-O-(2'''-methylbutyrate)
Peak:m/z	Relative Intensity
51.53152	0.5
54.91303	0.5
57.90023	0.6
61.13596	0.6
65.03889	0.6
65.43298	0.7
70.06604	5.2
71.51243	0.7
72.08157	2.0
84.08154	2.0
85.02931	0.8
86.09677	3.6
107.04959	0.9
119.36332	0.6
121.02871	0.6
130.09854	0.7
136.07532	0.8
137.06000	1.5
151.03912	0.6
159.09196	1.6
161.18677	0.7
162.05521	0.9
163.05757	0.7
167.80629	0.6
191.49982	0.7
201.05663	0.6
207.06612	1.6
219.01807	0.6
223.09706	2.0
237.03059	0.8
240.50627	0.6
290.47940	0.7
372.09592	0.7
499.18100	0.7
513.47614	0.7
531.18457	100.0
532.18793	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39523	0.9
58.29823	0.9
70.06583	3.6
70.38980	3.3
70.39324	1.1
72.08168	1.7
73.00674	1.0
84.04511	1.4
84.08173	1.5
86.09705	2.5
91.05506	1.1
98.20828	1.2
103.05454	1.1
105.07031	1.3
124.73416	0.9
133.45526	1.2
137.06009	1.7
150.97099	1.0
161.05984	1.2
171.74489	1.0
201.05492	1.5
207.06534	2.9
223.09615	2.2
242.38782	0.9
267.77997	0.9
279.85031	0.9
287.05722	1.0
322.56998	1.1
355.11826	1.1
397.91751	1.4
455.88956	1.0
499.16611	1.4
531.18372	100.0
532.18597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
51.04659	0.9
53.03951	5.6
55.01861	2.9
55.05513	21.0
55.98850	0.7
56.78057	1.0
57.03432	3.4
57.07082	4.3
65.03952	4.8
67.05507	94.7
67.10059	1.0
69.07069	24.9
69.80571	3.5
71.04979	3.1
71.08616	3.0
73.02905	1.2
74.09640	0.9
79.05497	43.7
81.03386	0.9
81.07059	100.0
83.04967	2.9
83.08620	15.3
85.06569	5.2
87.04468	2.8
91.05476	25.1
93.07048	53.9
95.04977	4.3
95.08611	53.6
97.06534	9.8
97.10175	4.5
99.08099	2.6
104.62708	0.8
105.00071	3.1
105.04510	1.6
105.06325	1.1
105.07035	18.7
107.04951	1.0
107.08599	30.2
109.06512	2.7
109.10162	18.0
111.08091	4.2
111.11713	1.9
113.57738	0.8
117.07011	6.5
119.08592	12.1
121.06478	1.5
121.09323	1.6
121.10151	21.3
121.11034	1.1
123.11703	9.2
125.09647	1.8
127.07558	0.9
129.06947	1.2
131.08566	9.0
133.10130	10.5
135.08083	1.4
135.11707	10.3
137.13263	3.2
139.11201	2.2
143.08571	1.7
145.10127	3.7
147.11722	5.5
149.09648	1.3
149.13268	25.1
151.11131	1.0
151.14816	1.4
153.12740	0.8
155.08612	0.9
157.10153	2.5
159.11690	10.7
161.13272	4.5
163.14812	3.2
165.12753	1.1
169.10086	1.1
171.11656	2.3
173.13287	2.3
175.14868	3.4
176.57919	0.8
177.12709	5.5
185.13264	1.6
187.14830	1.9
188.87547	1.0
189.16399	1.5
195.12076	1.3
195.13792	6.8
197.13310	1.1
201.16399	0.9
203.17917	0.8
213.16469	1.8
227.18071	1.2
240.05730	0.9
245.22673	2.3
263.23718	7.0
367.77527	1.0
439.35706	1.0
440.65167	0.9
441.18893	0.9
513.38983	1.3
531.40533	66.5
532.41144	1.3
550.58057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.6
53.03951	5.7
55.01871	2.0
55.05515	27.6
57.03432	2.9
57.07071	4.5
59.69906	0.7
65.03934	2.6
67.05508	77.2
68.79485	0.7
69.03437	1.5
69.07071	25.6
71.04996	4.9
71.08607	1.6
77.78529	0.8
79.05497	41.0
81.03407	1.1
81.07061	71.9
83.04987	3.1
83.08617	16.1
85.06546	7.7
85.10204	0.9
87.04470	2.4
87.08098	0.9
91.05488	30.9
92.50875	0.7
93.07047	48.7
94.07381	0.8
95.04980	3.5
95.08612	86.9
97.06524	6.3
97.10184	5.0
99.08119	1.8
99.91985	0.7
103.05464	1.4
105.00089	2.5
105.04572	1.5
105.07035	22.6
107.08598	23.6
109.06524	1.9
109.10165	21.3
111.08100	3.0
117.07039	7.0
119.08586	28.6
121.06529	0.8
121.10148	19.4
123.08080	1.9
123.11721	3.9
125.09680	1.3
129.07039	2.2
131.08563	14.4
133.10136	18.7
135.11702	13.5
137.09657	1.5
137.13258	3.4
142.07863	1.1
143.08585	2.9
144.15028	0.8
145.10130	11.1
147.11690	7.5
149.09630	1.0
149.13266	6.0
151.11162	1.1
153.82861	0.8
155.08514	1.2
157.10147	3.1
159.11725	8.1
161.13272	18.9
163.11253	0.9
163.14879	2.3
169.10120	0.9
171.11705	2.6
173.13274	7.8
175.14845	3.8
179.14297	4.7
185.13338	2.1
187.14841	2.6
192.07619	1.0
197.13358	1.4
197.15416	2.2
199.14905	1.3
201.16368	1.9
215.16434	1.2
243.21281	1.2
253.14285	0.8
255.19519	1.6
259.20724	0.8
261.22104	5.2
271.19031	1.0
317.24780	2.5
421.34671	2.6
439.35617	6.3
457.37030	1.9
475.37830	0.9
477.38028	0.9
513.39539	4.9
531.40515	100.0
532.40717	1.4
533.31769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74720	4.2
55.05513	11.6
57.03424	8.2
57.07084	5.1
61.02924	6.1
65.03935	6.0
66.79662	4.6
67.05511	67.9
69.07063	13.6
70.40921	17.0
79.05503	41.2
81.07066	100.0
83.08617	12.9
85.02921	10.8
91.05478	32.6
92.05799	4.5
93.07056	64.6
95.04934	6.3
95.08614	62.6
97.02892	7.2
97.25854	4.7
98.20818	5.2
99.08145	4.8
105.07048	22.2
107.08614	45.1
109.10162	29.9
111.11707	6.4
114.94757	4.9
117.07029	16.9
119.08611	17.6
121.10162	43.9
123.11721	20.2
127.11121	5.5
131.08560	21.0
133.10136	19.7
133.70567	4.4
134.20767	5.5
135.11690	34.6
145.10091	17.0
147.11681	13.5
147.61876	4.5
149.13275	20.3
159.11713	12.8
161.13290	15.3
163.14844	14.0
173.13275	20.3
175.14737	5.7
177.16441	8.3
184.11658	4.4
187.14777	11.3
192.24895	4.1
243.21071	29.1
261.22147	85.7
335.25745	13.4
353.26804	18.8
369.24225	5.5
496.38358	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	533.1656
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
53.03951	1.3
55.01865	0.2
56.53305	0.2
57.03417	0.6
57.07076	15.2
61.02910	0.2
67.05485	0.3
68.99779	0.8
69.03427	5.5
69.68351	1.0
70.46001	0.2
71.04979	0.7
71.99319	0.2
73.02921	0.3
79.05482	0.3
81.03419	9.3
81.07057	0.5
85.02906	3.9
85.06545	4.8
91.05463	0.4
93.07025	0.3
95.04943	0.2
97.02294	0.4
97.02895	6.1
99.04466	1.2
100.60376	0.2
103.07565	0.8
105.03386	0.4
105.07030	0.7
107.04947	0.8
107.08630	0.2
109.00050	0.2
109.02881	5.5
109.10120	0.2
111.00785	0.8
117.07009	0.3
121.02863	2.8
121.10112	0.2
127.03919	7.2
129.07018	0.2
131.08603	0.2
133.02856	0.5
133.06476	0.3
135.04396	0.4
137.02328	0.8
137.05981	0.6
144.05685	0.2
145.02878	0.3
145.04953	2.1
147.04369	1.3
151.03879	0.2
153.01826	4.1
157.06497	0.3
161.05963	0.4
165.01843	1.5
167.07004	0.4
169.06458	0.2
171.04375	0.2
175.07573	0.3
177.05525	0.3
183.02914	0.9
185.05980	0.7
187.05994	0.3
205.06512	0.2
205.87799	0.2
213.05409	1.1
229.07230	0.3
229.10719	7.5
231.06548	0.6
241.04958	0.9
247.11745	0.7
258.05124	1.0
259.06033	0.5
287.05496	100.0
288.05917	1.5
309.11499	0.3
311.87704	0.2
329.06543	0.4
395.07645	0.3
533.17932	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01875	1.8
57.03448	1.8
61.02931	2.7
63.12640	1.3
66.04742	1.5
69.03431	8.9
69.34689	11.8
70.06576	3.0
70.33368	1.3
71.04988	2.7
78.04704	3.5
79.05496	10.7
81.03407	4.2
84.08134	2.2
85.02907	16.4
86.09695	2.7
87.04478	1.6
91.05474	4.8
95.04961	2.8
97.02893	5.1
98.21584	2.4
103.05450	3.1
105.07042	7.1
107.04952	20.4
109.02897	3.7
115.05453	2.0
117.06997	2.2
117.68571	1.5
119.04955	2.0
119.08596	1.8
121.06524	1.7
122.03666	1.6
123.04451	5.8
124.05219	5.3
125.05948	2.0
126.88995	1.7
127.03923	4.9
128.06223	3.7
129.07022	3.8
131.04922	4.8
132.05754	1.7
133.06519	6.2
133.10117	3.7
136.07750	1.5
137.05981	4.6
141.06958	2.1
147.04398	2.0
147.08022	3.9
151.03943	2.3
152.04700	2.3
153.05560	1.8
156.05737	2.0
158.88144	1.4
159.08032	4.0
160.05255	2.9
161.06000	9.9
167.07042	100.0
168.07373	1.4
169.06422	2.4
171.08049	2.1
172.05263	1.3
175.06050	2.3
175.07559	37.2
177.05591	1.3
182.84422	1.2
185.05885	2.4
187.07547	16.7
189.07069	2.0
189.09149	2.9
190.07784	1.5
191.07011	10.7
191.08353	1.2
191.14388	2.2
193.08604	13.1
199.07562	11.9
201.09158	4.0
202.07777	2.1
203.08578	4.5
209.15434	2.3
215.08530	1.8
217.08708	1.5
218.07271	4.1
219.08136	2.4
221.09683	2.1
231.08026	2.6
232.08919	3.3
233.09633	5.9
234.06798	1.7
234.99063	2.1
235.07550	2.7
243.07971	1.2
245.06041	1.5
246.06868	2.6
247.07599	1.8
249.09158	4.0
260.08261	3.5
261.09106	7.5
262.09702	2.3
263.07068	2.7
275.07111	1.9
277.08740	3.4
278.01260	1.3
278.09427	2.4
281.11841	4.9
289.08600	7.7
290.09280	1.8
291.10043	1.6
293.11703	4.7
306.08768	3.1
307.09634	3.1
309.11331	6.4
310.11877	1.8
311.08987	1.9
312.25504	1.4
321.11209	14.6
322.12057	3.7
323.09116	1.6
325.14490	1.5
326.11426	2.5
338.11804	1.5
341.13831	16.6
353.09656	2.5
353.13782	21.9
355.15381	2.7
533.19330	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01877	2.0
57.03431	1.1
61.02919	2.3
61.69872	1.0
67.55650	1.1
69.03442	8.5
70.06590	4.1
70.66252	1.0
71.51119	1.3
72.08157	1.3
72.25481	1.1
73.02905	1.3
78.04700	1.8
79.05507	8.9
81.03413	4.7
81.07050	1.8
84.08157	1.2
85.02914	15.4
86.09744	2.0
87.04435	1.9
91.05473	7.8
93.07076	1.3
95.04949	2.8
97.02874	6.5
97.51490	1.1
97.84711	1.0
103.05471	3.4
104.06253	1.6
105.07049	9.2
106.04176	1.4
107.04968	19.3
109.02866	4.0
115.05439	6.0
118.04188	1.7
119.08596	3.5
120.08067	2.1
121.06487	2.4
123.04451	6.4
124.05193	3.8
125.05992	1.2
127.03934	4.1
128.06221	4.7
129.07022	6.3
130.04138	1.5
131.04933	3.7
132.05705	2.9
133.06519	6.0
137.05972	5.4
137.14598	1.1
141.06984	1.6
145.05083	1.3
145.06432	1.2
147.04457	2.8
147.08060	4.0
149.06035	1.8
151.03902	4.9
152.04768	2.7
153.05530	2.6
155.04936	1.9
159.08078	5.0
160.05232	3.5
161.06026	7.8
167.07057	100.0
169.06508	1.8
171.04445	1.4
172.05220	1.4
175.07578	36.2
176.04852	1.2
177.05559	2.7
179.07068	2.4
179.08487	1.9
182.15512	1.1
184.05142	2.8
187.07576	16.9
189.06973	2.3
189.09045	1.7
190.07797	1.9
191.07043	12.2
193.08617	15.3
199.07587	11.6
201.09097	3.1
202.07840	2.4
203.08542	5.0
205.10081	1.4
207.08208	2.0
209.08090	1.8
215.08601	3.4
218.07272	3.7
219.08139	3.2
221.09642	1.4
231.08092	4.2
232.08855	2.2
233.09644	6.5
234.06868	3.2
235.07614	5.2
243.08046	1.3
246.06801	3.1
247.07532	2.7
248.08304	1.3
249.09093	3.7
256.84174	1.3
259.07370	1.8
260.08423	1.8
261.09183	8.3
263.07193	2.3
263.10681	1.5
266.09250	1.4
274.06244	1.5
277.08633	3.0
278.09424	2.8
281.11765	3.5
287.05481	16.5
289.08609	8.7
290.09308	1.9
291.06772	1.6
291.10269	4.6
292.10928	1.3
293.11679	4.5
295.09763	2.3
305.08084	1.1
306.08881	5.0
307.09586	1.5
309.11264	6.9
321.11276	15.9
322.11969	2.5
323.12552	1.4
325.14352	2.3
326.11362	2.7
341.09885	1.7
341.13858	15.3
353.09744	2.2
353.13837	27.4
355.15387	1.8
442.07892	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01877	1.2
59.78658	0.9
69.03430	1.4
69.67905	1.5
69.68314	4.1
70.06577	1.3
78.04713	2.7
79.05495	6.3
81.03370	1.2
85.02909	3.1
91.05479	3.9
95.04957	1.9
97.02906	1.4
98.20757	1.4
103.05461	2.4
105.07030	7.3
106.04201	2.0
107.04965	14.1
115.05457	3.8
116.06211	0.8
117.07013	1.9
118.04197	0.9
119.08583	1.3
121.06532	1.5
123.04437	7.1
124.05225	3.2
128.06227	2.3
129.07008	5.4
131.04935	4.2
131.08627	1.0
132.05719	3.0
133.06496	5.8
137.06059	0.9
139.07619	1.0
140.04713	0.9
144.05757	1.1
145.06494	2.6
147.04333	1.0
147.08098	2.5
149.05930	1.1
151.03900	1.6
152.04703	2.3
153.05421	2.0
156.05779	1.3
159.08051	5.8
160.05275	1.3
161.05984	10.8
167.07048	100.0
171.08049	1.8
172.05252	2.4
173.05881	0.9
175.07542	23.9
175.09033	1.6
176.04713	1.0
177.05411	1.3
178.07805	1.2
179.07039	0.9
180.99657	0.9
181.08592	1.2
184.05276	1.7
187.07544	22.2
189.07080	2.3
189.09065	1.5
190.07817	2.4
191.07016	10.2
191.08574	2.0
199.07529	10.0
202.07841	2.6
203.08585	3.5
205.06680	1.1
205.08487	1.0
206.07355	2.5
207.07983	1.4
209.08159	2.7
215.08571	1.2
217.08647	1.3
218.07362	3.7
219.08134	1.8
221.09650	3.8
230.07420	1.3
231.08086	3.0
232.08931	1.5
233.06020	1.2
233.09607	2.8
234.06873	1.8
235.07664	2.8
244.08585	0.9
246.06761	1.6
247.07690	1.1
248.08426	1.4
249.09160	4.6
250.09891	1.7
251.07114	2.1
261.09189	5.6
262.09741	1.5
263.07120	1.7
264.07770	1.1
265.08472	1.2
276.07983	1.1
277.08667	3.0
278.09433	2.2
279.10446	0.9
281.11755	7.3
289.08734	4.9
290.09467	1.3
291.10138	1.7
293.11798	2.2
294.08780	1.3
306.08975	2.4
307.09726	1.7
309.11145	8.2
310.11948	0.9
321.11136	8.7
322.11945	2.1
325.14529	1.7
325.81720	1.0
326.11649	2.2
341.13846	22.0
353.13855	12.8
389.03738	1.0
399.58398	1.1
462.87000	0.9
533.20013	31.6
558.00708	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47831	4.0
55.05509	4.3
56.05015	4.0
61.26624	3.4
63.10558	3.6
67.05490	18.3
69.48621	19.8
69.49029	9.1
70.06586	16.1
71.04974	15.6
73.75156	3.8
75.96872	4.1
81.07062	4.0
84.04559	4.8
84.08150	6.4
85.02908	24.7
85.06544	15.6
86.09705	9.9
87.04462	3.5
95.08613	85.3
98.21487	8.1
105.07037	5.6
107.08584	9.1
113.06043	10.2
119.08584	16.6
121.10174	9.3
123.08085	27.7
129.05486	10.1
129.10194	7.9
132.36438	3.8
135.11678	16.8
137.05884	5.2
146.35625	3.8
147.06607	4.4
147.11659	3.8
149.09630	41.5
161.13266	11.7
163.11182	8.9
165.12782	8.5
167.07071	9.2
171.11295	4.0
175.07570	4.7
179.14287	4.1
189.12787	16.2
200.11331	3.8
207.13829	100.0
225.14876	4.9
419.73016	5.2
460.46347	3.7
533.21759	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	533.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01863	3.3
55.05497	2.4
57.03442	7.9
57.07064	0.9
61.02708	0.9
61.02931	9.5
63.40568	0.8
67.05486	1.8
67.86880	0.9
69.03436	35.9
69.07085	6.9
69.24950	2.8
69.25361	6.5
69.84498	0.8
71.01347	0.9
71.04988	5.1
73.02903	4.0
79.05486	2.9
81.03426	12.2
81.07049	4.2
83.01351	1.9
83.04973	1.2
83.08627	2.7
85.02911	100.0
85.88031	0.8
87.04463	4.1
91.03959	5.9
91.05473	3.5
93.07039	2.9
95.04977	7.2
95.08626	3.5
97.02899	38.5
97.06527	3.1
99.04477	6.3
99.22369	0.9
105.07022	3.6
107.04931	2.7
107.08592	5.2
109.02865	12.2
109.06512	3.7
109.10141	1.9
113.05993	1.6
119.08543	3.5
121.06503	3.6
121.10139	2.3
122.07285	3.9
123.08083	19.6
123.11731	1.0
127.03928	30.1
128.15599	1.0
131.08546	1.9
133.10146	5.3
135.08069	31.2
135.11659	5.8
137.05951	2.7
137.09689	1.2
145.04968	42.8
147.11684	2.8
149.09647	1.6
149.13281	1.1
151.03867	1.2
163.06082	6.2
165.11418	1.6
165.12764	24.0
167.07053	3.6
171.06499	2.8
173.13341	1.6
175.07510	1.6
175.14821	5.6
176.11894	4.5
177.05530	1.4
187.07498	1.3
189.07550	3.1
191.14320	93.1
193.15904	13.8
207.13811	3.1
209.15387	15.6
221.91228	0.9
334.96899	0.9
353.19574	4.2
371.20721	9.4
533.18793	1.6
533.25983	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	533.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67650	0.4
55.05523	2.8
57.03441	1.8
57.07065	1.1
63.02378	0.6
65.03913	0.4
67.05515	4.4
69.07077	2.9
69.80517	1.0
69.80934	1.2
71.04987	0.5
76.06546	0.3
79.05487	1.7
81.07062	4.0
83.05032	0.4
83.08604	1.7
85.06524	0.5
89.03912	6.2
91.05471	1.9
93.07043	2.5
93.76596	0.3
95.08643	2.6
95.90778	0.3
97.06510	0.6
97.10155	0.9
97.98198	0.5
98.21451	0.5
105.07020	1.3
107.08600	1.4
109.10188	1.8
117.03384	16.9
117.06985	0.4
119.08585	0.8
121.10129	1.2
123.11725	0.7
131.08557	0.5
133.10123	0.9
134.03615	0.9
135.04407	0.9
135.11681	0.6
145.02856	39.9
145.10094	0.6
147.11714	0.6
149.05989	4.7
149.13292	0.6
151.07545	0.8
158.05984	0.4
159.11757	0.5
162.03192	0.6
163.03894	1.3
175.14828	0.4
177.05482	100.0
178.05936	0.8
186.05495	2.2
191.10406	0.4
195.00345	2.5
195.06459	0.9
239.38605	0.4
241.60608	0.4
339.28970	1.2
379.28226	0.4
515.27423	0.6
533.28253	4.1
533.35272	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.01872	0.5
55.05509	3.8
57.03443	1.6
57.07076	1.1
60.35394	0.2
63.02384	0.5
67.05511	4.6
68.05864	0.5
69.07076	4.2
71.04990	0.5
71.08620	0.6
71.25591	0.6
78.04740	0.6
79.05491	3.3
80.05802	0.3
81.03436	0.3
81.07062	4.9
82.07388	0.6
83.05001	0.5
83.08616	2.4
85.06555	0.6
89.03922	7.2
91.05473	2.5
93.07054	3.9
95.05004	0.4
95.08610	4.0
97.06522	2.0
97.10159	1.4
103.05495	0.4
105.07072	1.9
106.04167	0.4
107.04964	0.5
107.08614	2.5
109.10146	1.9
117.03385	18.6
119.08572	2.0
121.10132	1.7
123.11710	0.8
125.09626	0.4
131.08574	1.0
133.10135	0.8
134.03642	1.6
135.04427	1.4
135.11690	1.5
137.13197	0.3
145.02853	45.1
145.10135	1.1
146.03320	0.3
147.11697	0.7
149.05995	5.7
149.13251	0.7
155.86974	0.3
158.06000	0.5
159.11700	1.0
162.03142	0.3
163.03897	1.0
173.13174	0.4
175.14938	0.4
175.22017	0.3
176.99249	1.2
177.05476	100.0
178.05856	1.3
181.12213	0.7
186.05540	2.5
187.14862	0.5
195.00366	2.0
195.06517	1.4
227.12875	0.7
233.08118	0.4
251.09248	0.6
255.15915	0.6
261.21957	0.4
268.64499	0.3
335.25671	0.6
339.28961	1.3
406.61346	0.3
423.33237	0.3
441.23801	0.5
441.33551	0.4
515.36908	2.1
533.28101	4.0
533.34882	3.9
533.40356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3843
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03944	9.5
55.01883	8.2
55.05516	52.5
57.03438	7.2
57.07069	6.3
65.03931	6.0
65.90405	3.7
67.05509	90.4
69.03432	6.9
69.07067	30.0
71.04985	9.7
79.05508	59.7
81.07066	100.0
83.04971	11.6
83.08632	22.5
85.06538	7.0
91.05491	45.9
93.07055	77.8
95.08617	57.2
97.06519	11.3
97.10187	23.4
105.07035	41.8
107.08611	56.7
109.10175	36.0
111.08091	6.5
117.07028	20.7
119.08577	37.6
121.10184	36.2
123.11709	14.0
125.09657	26.4
129.07030	15.4
131.08569	25.5
133.10138	31.4
133.39462	4.4
135.08038	7.3
135.11711	35.7
143.08554	12.6
145.10156	29.3
147.11710	26.4
149.13281	9.9
151.11125	5.7
153.12778	6.3
157.10175	10.0
159.11646	13.6
161.13271	15.2
163.14783	7.3
171.11707	5.2
173.13257	12.6
175.14798	4.2
181.12302	9.0
185.13199	5.5
187.14771	10.9
189.11211	20.1
197.13200	5.2
199.13142	5.1
200.15628	3.9
219.17546	4.5
227.12845	31.0
239.17833	5.2
249.20766	5.7
253.14328	6.4
255.15891	8.4
261.22095	12.4
289.25409	8.7
291.23129	6.4
317.24844	6.1
335.25830	16.1
347.25705	5.2
390.24481	4.3
397.63126	4.2
408.13077	5.4
423.32587	13.4
441.33603	16.0
459.34592	10.0
497.36346	8.3
515.37384	97.9
533.38550	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.3
54.42141	3.5
55.01862	10.5
55.05519	42.4
57.03431	8.5
57.07074	4.9
67.05187	4.1
67.05511	61.5
69.07069	24.7
71.04999	6.6
79.05497	47.2
81.03402	3.7
81.07066	65.6
83.04967	14.5
83.08607	16.8
91.05484	38.0
93.07054	67.2
95.04972	4.5
95.08608	53.8
97.06537	8.9
97.10189	22.8
98.20621	7.9
105.06401	5.2
105.07046	39.7
107.08606	51.4
109.10169	26.2
111.08065	8.3
117.07003	12.4
119.08599	29.5
120.58629	3.9
121.10155	25.6
123.11686	8.0
125.09646	20.5
129.06999	3.7
131.08568	29.0
133.10133	16.7
135.11688	25.5
143.08578	8.3
145.10114	23.1
147.11659	21.5
149.13275	8.1
153.12755	10.9
157.10075	9.2
159.11682	15.0
161.13254	10.2
163.11212	4.6
171.11746	10.4
173.13266	12.7
175.14961	5.0
181.12212	9.9
182.29636	3.7
183.11696	4.2
185.13263	5.7
187.14833	5.2
189.11215	19.9
195.55725	3.8
199.13364	4.8
201.16530	4.2
227.12782	38.5
255.15843	12.1
261.22168	11.5
289.21924	5.8
289.25266	11.0
291.22983	9.4
335.25800	11.6
347.25879	6.1
405.31628	8.1
423.32437	14.3
441.33374	16.7
459.34619	16.3
497.36066	8.1
515.37402	100.0
533.38379	56.6
541.44873	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	533.3839
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
51.02385	2.9
53.03939	4.6
55.01867	9.8
55.05514	48.8
57.03436	12.7
57.07072	6.8
59.04998	3.4
65.03941	4.8
67.05505	82.3
69.03429	4.8
69.07073	24.2
69.48884	18.8
70.94925	2.9
71.05007	5.2
71.08614	3.6
79.05492	58.8
81.03445	5.5
81.06587	5.4
81.07057	84.9
83.04986	9.2
83.08620	30.6
85.06554	6.2
89.03925	8.0
91.05478	45.0
92.26624	2.5
93.07043	83.0
94.07378	2.9
95.04974	8.4
95.08610	63.7
97.06555	12.4
97.10181	24.2
98.20722	2.6
105.07030	45.1
107.04961	8.3
107.08597	52.8
109.06523	3.2
109.10161	33.0
111.08108	8.8
117.03381	14.5
117.07021	16.0
119.08578	31.7
121.10151	31.6
123.08066	3.9
123.11736	9.8
125.09650	22.7
129.07008	3.1
131.08575	23.8
133.10139	30.1
135.08075	3.5
135.11703	44.4
137.13287	4.6
143.08580	8.9
145.02847	47.5
145.10115	22.1
147.11613	16.6
148.11444	2.5
149.06000	5.4
149.13251	12.9
151.11157	3.4
153.12735	6.6
155.08531	3.0
157.10117	7.1
157.80392	2.7
159.11687	17.9
161.13252	15.4
163.11287	4.2
163.14836	4.9
169.10159	4.8
171.11690	4.3
171.76697	2.5
173.11850	3.9
173.13300	11.2
175.14806	6.6
176.99319	5.3
177.05478	100.0
181.12231	10.2
183.11618	2.6
185.13243	5.1
187.14793	5.9
189.11241	10.8
195.00348	14.7
199.14882	3.3
211.14754	4.8
227.12775	19.0
253.14563	3.0
255.16028	15.9
261.22217	11.3
273.22098	9.3
289.25302	9.7
291.23288	4.0
315.23151	3.2
335.25803	19.5
339.29214	3.5
347.25803	7.1
423.32611	15.6
441.33578	13.8
459.35040	12.7
497.36121	9.1
515.37347	96.2
516.38098	2.8
533.28320	17.5
533.38330	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02758	1.9
53.03932	3.3
55.05519	19.6
57.07074	4.7
66.16307	1.8
67.05171	3.4
67.05501	32.1
69.07064	20.5
71.04996	3.1
71.08659	2.3
79.05498	22.4
81.07055	84.3
83.04970	2.1
83.08620	7.9
85.06533	17.3
89.23605	1.9
91.05477	22.9
93.07044	53.5
95.05000	3.4
95.08607	76.1
97.10148	10.4
98.20785	7.8
99.04457	11.3
101.06019	2.5
105.06398	3.9
105.07035	46.6
107.08590	68.7
109.06517	8.1
109.10153	43.7
109.10845	3.5
111.11752	3.1
117.07024	6.1
119.08578	47.4
121.10136	46.0
123.08109	2.7
123.11720	19.8
127.07576	8.5
129.07033	3.6
131.08563	16.2
133.10136	39.5
135.08083	2.6
135.11684	26.7
137.13290	5.0
143.08635	5.4
145.10135	28.7
147.11690	30.6
149.09628	6.9
149.13268	25.0
151.14841	3.4
157.10123	15.4
159.11691	33.2
161.13266	22.2
163.14774	13.1
167.10732	6.1
169.10220	2.8
171.11685	12.5
173.11931	3.3
173.13280	23.1
175.11206	3.7
175.14815	13.3
177.12814	3.7
177.16382	5.1
181.12233	4.5
183.11696	4.1
185.13226	11.7
187.14839	14.3
189.12750	2.4
189.16408	13.0
191.17929	2.7
193.12332	6.7
195.13876	4.6
197.13252	5.7
199.14803	14.1
201.16325	16.0
203.17986	8.6
207.13870	2.0
211.14845	2.5
213.16342	12.8
215.17982	11.5
217.19585	6.6
225.16490	4.5
227.17944	9.8
229.19618	7.1
231.21106	4.5
241.19498	4.8
243.21271	3.2
255.21060	6.4
257.22757	8.1
259.24225	4.9
261.18466	4.0
267.21222	3.2
269.22662	5.7
275.20197	3.6
283.24234	6.8
285.25916	2.4
297.25903	3.4
323.27435	2.6
325.28949	6.3
339.30539	3.1
341.24704	2.6
351.30573	2.8
393.35068	2.8
419.36426	2.8
423.32791	3.9
437.34009	3.3
472.14029	2.1
515.42279	2.2
533.43500	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.0
55.01879	5.7
55.05510	23.9
55.17585	4.5
57.07082	10.3
58.36433	4.1
58.65052	4.0
67.05508	49.4
69.03438	7.3
69.07069	31.2
71.08630	8.6
71.36510	7.4
72.12402	4.1
79.05513	40.1
81.07063	100.0
83.08627	14.9
85.06548	73.4
86.92968	4.1
87.30405	4.1
91.05475	42.2
93.07045	75.8
95.04982	10.8
95.08610	77.2
97.06545	8.5
97.10175	7.1
99.08081	7.1
105.07043	63.7
107.08604	70.4
109.06490	8.0
109.10168	50.9
109.37600	4.6
111.08078	12.7
117.07024	10.9
119.08590	67.1
121.10151	68.9
123.11708	18.5
125.09631	9.5
128.06203	4.5
129.07002	4.2
131.08582	32.4
133.10121	45.1
135.11691	33.2
139.11198	5.4
143.08583	14.4
145.10156	38.9
147.11710	27.6
149.13286	24.8
155.08638	4.3
157.10144	22.8
159.11723	39.6
161.13289	32.0
161.73895	4.7
163.14867	19.5
171.11702	15.1
173.13266	21.3
175.14830	15.8
183.11685	6.6
185.13283	13.1
187.14867	17.0
188.31944	5.3
189.16432	13.9
197.13306	8.6
199.14844	11.9
201.16405	13.1
203.18030	5.8
213.16411	13.1
215.17955	8.7
217.19490	7.9
223.14888	4.8
227.18040	10.1
239.17918	5.1
248.65132	4.5
267.21109	4.6
271.24533	4.6
281.22852	5.8
321.21884	6.6
339.30286	5.5
353.07159	4.3
438.85071	5.2
515.42462	31.0
533.43500	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.01873	2.6
55.05504	5.3
57.03447	18.4
61.02913	3.4
68.99787	3.5
69.03432	16.2
69.75328	4.0
69.75742	7.8
70.06597	2.1
71.04999	61.3
73.02936	2.8
75.04488	2.8
81.03432	22.5
83.04969	13.3
85.02916	100.0
86.09710	6.1
87.00826	2.3
91.05488	44.6
95.04959	3.1
97.02899	16.4
98.21329	5.1
99.04449	8.5
101.01739	3.2
101.02393	56.8
103.03944	3.2
105.07000	3.0
107.04971	5.3
109.02885	23.1
111.04470	13.8
119.03429	91.0
127.03934	41.8
129.05489	31.5
129.06956	3.5
135.04472	3.3
137.05971	3.3
145.04964	6.3
147.06523	10.5
147.07756	2.1
151.03911	4.8
157.04951	3.2
161.04495	5.6
164.09193	10.8
167.07063	15.1
168.07404	3.8
173.04469	5.9
175.07535	4.7
177.05554	2.7
185.02893	2.1
187.07437	2.4
188.07971	2.3
191.06870	2.0
193.08620	3.6
199.56720	2.0
201.05571	1.9
203.05472	9.8
220.08617	2.4
227.05475	6.8
237.07593	8.5
245.06601	13.5
246.06653	2.9
255.08730	5.4
263.07617	7.9
275.03824	1.8
284.06589	3.8
301.80283	2.1
322.11484	2.3
341.08719	5.1
341.12970	1.9
354.13913	3.1
355.10367	2.4
373.11261	10.3
391.12213	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	534.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
53.54290	1.3
55.01858	2.9
55.05507	1.8
57.03432	11.8
61.02919	3.4
62.09634	1.1
67.05503	1.6
69.03432	15.5
70.06577	1.4
71.04604	2.8
71.04996	55.7
71.17455	2.3
71.17782	1.1
73.02905	3.7
75.04461	2.4
75.26896	1.2
79.05487	3.1
81.03417	13.2
83.04994	12.0
85.02908	100.0
86.09703	1.2
87.00830	15.8
87.04471	2.8
90.39819	1.1
95.04971	3.3
97.02891	12.2
99.04469	6.1
103.03954	2.9
105.01868	28.8
105.07037	9.3
107.04958	5.3
109.02876	19.0
111.04448	14.2
117.05518	1.3
123.04432	2.1
127.02972	2.2
127.03913	34.5
129.01886	1.8
129.05492	26.2
133.03287	1.2
135.04413	1.6
136.07649	1.4
137.05969	2.2
139.03868	3.2
145.04955	10.6
147.02911	2.3
147.06561	11.9
149.05894	1.8
151.03897	2.3
159.02876	4.6
161.05898	1.7
164.09222	8.3
167.07028	13.8
168.07373	6.0
171.03046	1.9
175.07558	5.6
176.07889	2.8
187.07617	1.9
189.03975	6.1
191.06972	2.8
193.08740	1.5
195.06396	1.6
199.07652	1.4
200.07756	1.6
213.04031	6.4
227.34789	1.2
231.05005	13.9
231.08591	1.9
234.99072	1.6
237.07574	9.7
249.06042	3.8
251.20946	1.7
255.08606	4.2
273.06042	2.0
287.05530	2.0
290.09012	2.1
315.10794	3.4
322.11673	1.7
341.08746	3.1
354.14066	2.1
359.09604	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	534.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32274	3.9
53.03945	4.6
55.05504	21.3
57.03426	6.7
57.07079	9.8
67.05506	83.9
69.03422	9.3
69.07067	25.6
69.30116	31.6
70.96370	3.8
71.08652	8.1
79.05491	27.8
81.03421	9.3
81.07065	100.0
83.08625	19.0
85.02911	10.6
85.10185	5.5
91.05460	16.2
93.07043	36.1
95.08618	71.1
97.02921	7.4
97.10184	9.3
98.20769	8.5
99.08122	5.4
105.07039	13.3
107.08625	20.3
109.10159	29.1
111.11772	4.4
115.31268	4.0
119.08575	10.8
121.10152	15.1
123.11700	13.4
127.03915	5.5
131.08611	9.0
133.10132	13.0
135.11700	12.9
137.13258	11.9
145.10165	5.4
147.11713	9.8
149.13245	9.1
151.11183	6.2
151.71764	3.8
157.10181	4.1
161.13304	5.5
163.14838	7.9
163.22008	4.2
175.14838	7.5
179.17949	4.3
183.11353	4.2
186.34325	4.4
189.16345	6.5
243.53625	4.2
244.50215	3.9
245.22678	38.2
263.23712	57.3
273.22043	5.0
317.25128	5.3
337.27484	27.0
353.24677	8.3
359.26636	3.9
371.25830	18.7
389.27118	19.1
407.27829	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	535.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63524	0.3
51.26425	0.3
51.52039	0.4
53.03956	2.3
55.01867	1.9
57.03416	0.5
61.02911	0.7
63.04087	0.3
63.72695	0.3
68.99789	1.7
69.03088	0.5
69.03430	6.6
70.06582	1.3
71.04967	1.0
71.30928	0.5
71.56037	0.3
73.02907	1.5
74.66264	0.4
76.41933	0.4
81.03420	8.5
84.08133	1.1
85.02907	11.9
86.09725	0.7
87.00822	5.0
91.05482	0.6
97.02892	3.6
99.04467	2.4
105.01862	2.8
105.03339	0.4
107.04964	0.8
109.02882	6.7
111.00793	0.8
117.01835	1.3
118.06902	0.5
118.97081	0.3
120.08120	0.5
121.02863	2.5
127.03919	8.6
128.23256	0.3
129.01825	0.7
131.04851	0.4
133.02800	0.6
137.02321	0.8
137.06003	2.0
145.02890	0.4
145.04933	3.0
145.06126	0.4
145.06483	0.4
147.04417	0.9
149.05942	0.4
153.01836	3.7
154.49826	0.3
157.06543	0.6
159.02908	4.1
161.06000	0.9
165.01852	2.0
177.05460	1.1
183.02866	0.6
185.05974	1.0
201.05569	0.6
203.07028	1.1
213.03760	0.5
213.05537	1.1
231.04918	1.1
241.04903	1.0
258.05292	0.9
287.05499	100.0
288.05960	1.7
451.79166	0.4
535.19067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1086
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03947	2.2
55.01878	1.5
57.03428	1.1
61.02908	0.9
62.26516	0.2
68.99798	1.3
69.03432	6.4
70.06591	0.4
71.04979	1.0
71.50906	0.4
72.08142	0.3
73.02922	1.3
79.05478	0.3
81.03420	7.8
81.92722	0.2
84.08158	0.6
85.02905	10.8
85.22839	0.2
86.09688	0.8
87.00828	4.9
87.04472	0.3
87.69044	0.2
89.06024	0.8
91.03972	0.6
97.02901	4.2
99.04466	2.3
105.01868	2.8
107.04951	0.5
109.02885	6.4
111.00806	0.7
117.01860	0.6
121.02883	2.4
121.03777	0.3
127.03915	7.9
129.01836	0.7
131.04932	0.3
133.02861	0.4
133.08623	0.4
137.02351	0.7
137.05946	0.7
145.04971	2.3
145.06122	0.3
145.06454	0.3
147.02924	0.4
147.04401	0.5
153.01839	3.5
157.06448	0.6
159.02905	4.3
161.05959	0.3
165.01799	1.6
167.07037	0.3
171.04352	0.3
183.02905	0.7
185.05882	0.6
193.97141	0.3
209.51382	0.2
213.05463	1.6
226.06281	0.2
231.04945	0.7
241.05023	0.9
258.05219	1.1
259.05963	0.4
269.04526	0.4
287.05505	100.0
288.05795	1.4
301.54477	0.3
329.06760	0.3
330.49280	0.3
396.78915	0.2
535.18988	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01873	3.7
55.05500	2.6
55.99460	2.5
57.03426	6.5
58.23003	2.2
62.04584	2.3
65.65976	2.3
67.05496	4.0
68.99792	4.1
69.03445	16.5
70.06593	3.1
70.89006	6.0
73.02927	4.1
79.05505	3.8
81.03423	13.8
81.07050	7.5
82.56822	2.3
83.05009	2.6
84.08149	6.5
85.02911	37.0
86.09716	3.9
91.05471	8.9
95.04982	13.5
95.08586	3.6
97.02898	17.5
99.04430	4.6
101.02388	28.5
103.03957	4.3
105.07023	6.4
105.75457	2.4
107.04968	74.2
107.08607	3.2
109.02878	15.3
109.06527	3.0
115.73697	2.3
117.07010	2.9
119.03445	29.1
119.04996	2.8
119.08549	5.6
120.08085	4.3
123.04428	38.6
127.03918	16.4
131.03421	2.9
131.04935	3.8
133.10147	3.1
135.08113	2.8
137.05948	12.6
145.04977	4.5
145.06511	5.3
147.04402	9.2
149.05946	3.0
149.09645	2.8
155.08629	2.5
157.10071	3.7
159.08017	2.8
161.04474	6.9
161.05965	6.3
168.93958	2.5
173.04488	5.4
177.05440	3.3
183.08017	6.0
186.97359	2.1
195.08153	3.1
203.05493	6.2
211.07509	9.5
212.07935	9.8
221.06001	2.7
223.07579	2.9
226.09886	3.2
227.07210	2.6
229.08662	3.4
230.08926	3.7
236.07973	2.5
237.09177	7.0
239.07022	18.4
240.07431	16.9
242.09450	4.1
251.10834	4.0
253.08655	6.5
254.09134	3.0
255.10115	4.3
257.08130	12.0
258.08377	13.5
261.09131	4.7
265.08563	6.4
265.35843	2.5
266.09387	8.8
267.08508	15.8
269.08191	2.3
269.11813	6.2
271.09543	4.3
272.10440	70.5
273.07773	5.0
273.10828	100.0
277.08554	3.1
279.10223	5.8
282.09000	5.8
283.09598	4.3
284.07687	3.1
284.10431	18.1
285.11124	4.4
292.11023	2.7
293.11661	5.8
297.11246	44.2
307.09872	3.3
307.13449	2.8
309.11212	3.1
311.12607	2.8
312.36740	2.6
315.12363	23.7
318.03622	2.5
321.11151	3.7
329.08640	3.1
335.12573	6.8
339.12326	27.9
353.14145	2.7
363.12390	12.2
373.13104	11.7
376.87192	2.7
381.13611	16.0
399.14227	4.2
475.88977	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	535.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51532	1.7
53.03928	2.3
55.01859	6.9
69.03432	3.6
70.06605	1.8
79.05505	3.4
81.03398	4.3
81.07059	2.8
83.29018	1.7
84.08158	2.8
85.02887	9.6
86.61401	1.7
91.05489	9.1
94.04168	4.1
95.04954	5.2
97.02875	3.1
99.04472	1.8
103.05481	4.9
105.07017	3.4
107.04971	26.5
109.02885	3.4
109.06517	1.9
115.05466	3.9
119.04931	6.2
121.06519	4.3
122.03657	8.2
123.04437	11.5
131.04932	11.8
133.02856	1.8
133.06512	2.1
135.04407	1.7
137.05991	100.0
143.04907	3.5
144.22427	1.7
145.06520	2.9
146.03629	2.2
147.04378	6.9
147.08017	3.4
149.05980	6.8
151.03932	4.3
151.07524	3.8
155.04881	4.2
160.05116	2.4
161.05988	18.1
163.07529	5.1
165.06993	3.9
167.07027	7.0
167.08369	2.2
171.04407	3.5
172.05220	2.3
175.07538	13.3
177.05458	5.5
178.07872	2.3
179.07057	3.7
183.04419	2.6
185.06015	9.5
187.07571	4.1
189.05431	5.4
189.07008	2.3
191.07001	8.0
191.08472	3.3
193.06531	2.3
194.07285	2.3
202.07802	5.7
203.07071	8.9
203.08656	2.8
205.06575	4.0
206.07324	3.5
207.08051	3.1
209.06029	1.9
210.06703	2.0
211.07628	2.6
215.07016	8.1
218.07286	2.9
219.08090	4.5
220.08803	2.5
221.06093	3.0
221.09546	2.8
222.06772	4.4
225.09044	2.0
230.07349	1.9
231.08058	5.9
233.06026	3.7
234.06709	8.2
235.07471	5.0
237.09166	4.2
238.09956	2.4
239.07066	3.3
243.08119	2.6
245.06053	2.1
245.09807	2.6
246.06729	4.0
247.07539	5.0
248.08308	4.6
249.09094	7.0
251.06937	4.4
253.08583	3.9
258.06821	2.3
259.07532	7.1
260.08319	3.0
261.05283	1.8
261.09070	4.0
262.06238	3.3
263.07050	2.0
263.10431	1.9
264.07782	3.6
265.08655	12.3
267.08554	3.5
271.07446	2.4
273.09058	5.1
275.07095	3.3
276.07922	4.6
277.08548	12.7
278.09348	2.6
279.10141	1.9
281.08206	2.4
283.09659	5.3
284.01840	1.9
285.11237	5.4
286.06305	2.5
287.07254	3.0
288.07867	2.6
289.08606	3.8
290.09296	3.7
291.10074	7.8
293.08212	2.3
294.09009	3.4
295.09567	3.6
297.11200	10.3
301.08618	6.3
302.09326	3.4
303.10101	4.0
304.07336	2.9
305.08011	12.7
306.08725	4.6
307.09521	8.3
308.10443	3.3
309.11069	9.0
310.11832	3.5
311.13239	1.8
315.12222	11.6
318.08722	3.1
319.09613	16.3
320.10370	2.7
321.11267	3.3
323.12766	2.1
325.10678	2.7
330.09042	3.8
331.09512	3.9
333.11197	10.0
335.12848	2.3
337.10724	47.2
339.12399	2.9
345.11423	10.7
345.14807	1.9
348.09760	3.7
351.12384	20.7
358.37692	1.7
363.12296	23.1
373.13065	3.2
375.12363	3.7
381.12823	2.3
409.14404	2.0
413.13712	2.2
425.13562	3.5
427.15289	3.1
455.15012	8.3
457.16315	5.8
469.16504	9.5
475.17554	2.8
486.71063	1.9
487.17761	16.9
499.17590	10.2
505.18433	3.1
517.17981	4.0
535.20081	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01859	3.5
59.91397	1.0
65.03925	1.3
67.05502	2.2
69.03419	2.9
70.06576	1.6
73.91712	0.9
79.05485	2.9
81.03412	1.4
81.07055	2.3
84.04478	1.5
84.08125	4.4
85.02907	3.0
89.03941	1.1
91.05483	8.8
93.07041	1.6
94.04189	4.4
95.04955	2.9
95.08597	1.3
96.14085	0.9
97.02896	1.7
103.05479	3.5
105.07018	5.0
107.04978	11.6
107.08616	1.4
109.02866	1.6
109.06519	2.1
109.10139	1.2
115.05457	2.9
117.07021	1.5
119.04947	2.5
119.08568	2.2
121.06525	4.0
121.10190	1.3
122.03663	11.6
122.29620	1.0
123.04456	3.3
127.03861	1.6
128.06181	1.5
129.06944	1.1
131.04933	6.4
132.05652	1.2
133.10147	2.5
135.04453	1.5
135.08047	1.9
137.05988	100.0
143.04935	3.2
144.05736	1.4
145.06531	1.3
145.10161	1.5
146.03712	1.5
147.04407	3.6
147.08072	1.8
147.11694	1.2
149.05952	3.4
151.03963	5.1
151.04999	1.5
151.07541	3.9
153.06973	1.2
155.04933	2.0
159.04358	1.2
160.05246	2.2
161.06001	6.0
163.07507	1.4
165.05685	1.1
165.07014	2.6
167.07019	3.2
172.05214	1.9
173.05989	2.1
175.07526	3.7
177.05469	1.8
178.07816	1.8
179.07108	1.2
181.06554	2.0
185.05978	2.4
187.07497	2.9
191.07045	4.2
195.08043	1.9
199.07523	1.8
202.07811	2.0
203.07069	4.9
203.08673	1.9
205.06552	2.4
207.08031	1.5
210.06816	1.8
211.07625	1.7
215.07021	3.9
218.07405	1.5
219.08005	2.8
220.08784	2.0
221.06036	2.2
221.09644	1.7
223.07628	1.6
225.09119	1.9
231.08086	3.8
233.06020	1.6
234.06715	3.7
235.07542	2.8
236.08182	1.2
237.09106	2.5
238.06219	1.3
240.07803	1.5
241.08789	1.5
242.24904	1.0
243.08086	1.3
247.07504	2.8
248.08237	2.1
249.05533	1.6
249.09157	5.1
250.06250	2.2
251.07080	1.6
253.08586	4.1
258.06897	1.6
259.07559	4.4
260.08255	2.0
261.05688	1.3
261.08966	2.6
262.06229	2.8
263.07040	2.1
263.10590	2.0
264.07791	1.2
265.08740	5.5
266.09348	1.2
269.08212	1.8
271.07449	1.8
273.11395	1.4
275.07092	2.1
276.07806	2.8
277.08566	8.0
278.09464	1.6
283.09613	4.1
285.11386	5.7
287.07037	2.2
289.08621	3.5
290.09387	1.1
291.10028	3.6
293.08093	1.3
294.09003	2.1
295.09613	1.4
297.11160	4.3
301.08578	3.7
302.09467	1.2
303.10165	2.3
304.07120	1.4
305.08020	5.4
306.08865	1.4
307.09732	4.4
309.11249	7.7
310.12045	2.8
313.10730	1.5
315.12534	1.1
319.09714	4.5
321.11255	3.0
322.11691	1.3
331.09622	2.4
333.11179	3.4
334.09842	2.4
335.10364	1.3
337.10788	16.3
339.12274	1.4
345.11343	1.5
351.12698	8.4
359.60858	1.2
363.12512	6.5
373.13269	1.3
377.11755	2.2
379.09476	1.6
383.12808	1.5
394.12238	1.4
405.11319	2.6
411.11932	1.7
412.12967	1.9
422.11380	1.6
423.12360	2.0
427.15549	7.9
435.12723	1.5
437.13824	4.4
438.14270	1.4
439.11475	1.2
455.14954	20.2
456.15091	1.7
457.16269	4.5
467.15286	1.5
469.16647	13.2
475.17633	2.3
481.16235	2.9
487.17508	20.1
499.17728	5.4
505.18500	2.3
517.18799	5.2
535.19366	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	535.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68751	1.4
55.01863	6.1
62.81503	1.5
65.03938	2.9
67.05493	1.9
69.03427	4.3
69.41595	1.7
69.57645	5.8
69.58056	4.7
70.06599	2.6
76.42143	1.5
79.05493	4.7
81.03407	4.4
81.07085	3.3
84.08147	5.8
85.02919	7.9
86.09655	1.4
91.05482	10.5
93.07049	1.8
94.04201	2.9
95.04974	3.6
97.02922	3.7
99.04478	1.6
103.05467	6.6
105.07019	4.9
107.04965	18.6
109.02865	6.7
109.10210	1.4
113.28169	1.5
115.05473	8.0
116.06181	1.6
117.07077	1.7
119.04942	4.9
119.08617	2.1
121.06523	3.7
122.03634	9.2
123.04431	8.9
123.11720	1.6
127.03912	5.4
129.07001	3.6
131.04951	12.7
131.99467	1.9
133.06508	3.8
135.04440	4.5
137.05991	100.0
143.03416	2.2
143.04941	2.8
144.05713	3.3
145.06557	3.9
146.03590	2.2
147.04417	5.3
149.05981	5.5
151.03929	12.8
151.07558	3.7
153.06920	2.1
155.04933	4.1
157.06523	1.7
159.04379	1.6
159.08124	2.8
160.05229	3.1
161.06012	19.4
163.07523	3.8
165.05565	3.1
165.07068	2.7
167.07059	6.0
171.04381	2.7
172.05228	2.4
173.06062	1.9
175.07573	13.4
175.26843	1.8
177.05499	8.2
178.07767	4.1
179.07016	3.5
184.05199	2.0
185.06009	6.6
186.06841	2.6
187.07462	7.6
189.05461	7.3
189.06972	2.8
190.06174	2.4
191.07065	7.0
191.14363	1.5
193.06593	2.2
193.10172	1.9
194.07259	4.4
195.06541	1.9
195.08134	2.8
198.06857	2.3
199.07524	2.6
201.05373	1.9
202.07800	2.9
202.78773	1.8
203.07011	12.7
203.08621	3.1
204.07855	10.9
205.06482	6.7
207.08195	2.5
213.05519	1.9
215.07008	5.8
215.08755	3.0
216.07770	2.8
217.06714	2.1
217.08650	5.0
218.07314	3.4
219.08026	6.2
220.08743	3.0
221.06047	3.1
221.09587	4.6
222.06750	2.5
223.07501	3.6
225.09108	2.9
227.07033	2.0
231.08095	8.7
232.08827	3.1
233.06027	2.5
233.09645	2.2
234.06810	7.0
235.07527	4.3
236.08292	1.6
237.09103	3.3
242.07388	2.0
243.08121	2.5
245.06018	2.8
246.06819	2.8
247.07706	7.8
248.08299	6.4
249.09137	10.5
250.06148	1.9
251.07043	2.8
251.10947	1.8
253.08557	2.5
258.06744	3.5
259.07556	6.9
260.08401	3.0
261.05615	1.7
261.09085	5.6
262.06259	4.6
263.07184	4.2
263.10608	3.7
264.07828	3.7
265.08627	9.1
266.09363	3.1
267.08600	2.8
269.08167	3.0
270.06750	1.5
271.07431	3.4
273.05380	1.8
275.07007	2.7
276.07870	4.3
277.08603	11.3
278.09357	3.9
279.06842	2.3
279.10278	4.2
281.08093	2.1
283.09683	7.0
285.08679	2.2
285.11374	4.1
287.07135	3.1
288.07858	2.4
289.08600	5.6
290.09427	3.5
291.10138	5.1
292.07358	2.0
293.08051	1.7
293.11670	1.5
294.08804	2.6
295.09622	2.0
297.11353	7.8
299.06903	1.7
301.08432	7.8
302.09238	2.6
303.10077	1.7
304.07254	1.6
305.08038	12.4
306.08936	2.9
307.09558	7.6
309.11304	13.9
310.12009	3.1
311.07278	7.5
313.08447	2.0
315.12427	10.6
318.09070	2.1
319.09665	12.9
321.11417	7.5
322.12146	3.1
325.10715	1.8
329.08347	7.6
331.09546	4.0
333.11325	9.6
335.13052	1.9
337.10715	33.0
339.12286	3.5
340.13116	4.2
345.11484	7.9
348.09946	2.5
351.12418	17.5
363.12411	16.7
373.13290	5.2
373.17978	8.0
375.12387	2.8
381.12961	1.7
391.09750	1.9
393.13394	2.4
422.11490	2.2
425.13959	2.8
427.15051	2.2
433.41196	1.8
437.14059	2.0
455.14871	5.4
457.16406	6.5
469.16498	4.7
475.17538	2.8
487.17587	14.6
499.17444	9.4
505.18552	2.3
517.18439	4.8
535.13855	4.1
535.20642	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.05492	5.8
65.03944	5.9
67.05489	5.6
68.02644	3.6
69.03426	8.4
70.06583	7.0
71.11964	7.5
79.05505	18.0
81.03415	11.6
81.07068	8.2
83.04984	4.8
84.08119	5.0
85.02898	6.7
89.03888	3.5
91.05488	42.5
93.07045	7.1
94.04163	4.7
95.04958	7.1
95.08627	4.0
97.02896	3.7
97.06497	5.2
99.04422	4.9
102.04680	4.2
103.05492	21.7
105.03445	4.4
105.07036	35.7
107.04963	16.9
107.08569	9.4
109.02853	9.7
111.04432	7.1
112.25642	3.2
115.05456	24.1
115.35793	3.4
117.07040	5.4
118.04160	5.6
119.04932	14.3
119.08566	8.7
121.06500	13.2
122.03656	8.8
123.04411	10.6
125.05991	3.7
127.03912	8.7
128.06212	8.2
129.06998	11.5
130.04108	11.6
131.04930	32.4
131.08553	5.1
132.05695	5.7
133.02827	21.2
133.06490	23.5
135.04457	19.8
136.05322	3.3
137.05984	100.0
141.01862	3.3
141.06949	3.5
143.04910	5.8
144.05724	5.5
145.02864	3.5
145.06441	7.2
146.03624	5.7
147.04430	38.6
147.08060	10.3
149.05983	27.4
150.06786	32.3
151.03867	10.6
151.07581	8.3
153.05499	36.2
155.06139	3.5
155.08607	3.4
157.10094	3.6
159.08069	26.2
160.05164	7.4
161.05977	62.1
161.09616	4.9
162.06767	41.4
163.03889	6.7
163.07512	22.3
165.05475	21.1
165.06853	5.0
166.07800	3.8
167.07045	18.3
167.08232	3.5
169.09938	4.1
172.05191	17.3
173.06104	3.9
175.07539	53.5
177.05455	17.5
177.06956	6.4
177.08997	3.5
178.07712	6.8
179.07047	6.7
179.08488	5.0
181.06448	6.0
184.05266	5.5
185.05949	4.1
187.07552	81.8
189.05399	9.7
189.07018	8.6
190.07788	7.7
191.06989	6.8
191.08562	6.0
193.06451	6.0
194.07204	8.1
195.08081	8.8
199.07562	32.4
201.05360	3.9
202.07687	6.8
203.06964	6.9
203.08606	8.0
205.06471	14.6
206.07254	20.7
207.08034	10.9
209.06023	5.4
209.09650	7.4
213.09138	6.2
217.06508	5.0
217.08580	8.7
218.07191	9.3
219.08083	13.5
220.08820	3.8
221.05997	9.3
221.09576	12.5
221.95042	3.7
222.06754	12.7
223.07474	8.0
227.01907	6.5
227.06923	3.4
231.08124	7.4
232.14015	3.5
233.05977	11.1
233.09662	6.2
234.06781	19.8
235.07478	12.7
236.08298	9.6
237.09154	18.7
238.09718	5.4
239.07072	6.4
240.07655	4.6
241.08536	4.0
245.05969	6.7
246.06737	4.6
247.07535	16.9
248.08333	7.2
249.09155	21.0
250.06308	15.9
251.06952	10.2
251.10638	4.3
253.08685	4.9
253.12247	6.7
259.07538	6.3
261.05261	5.2
261.09125	9.2
262.06192	8.7
263.07037	10.8
263.10562	5.5
264.07733	6.5
265.08536	28.9
266.09372	10.9
267.10071	4.8
275.07083	7.0
276.07693	6.9
277.08600	27.3
278.05792	3.8
278.09247	3.8
279.06531	4.7
279.10065	7.7
281.08032	10.1
281.11688	16.4
283.09805	8.0
289.08578	11.6
291.10049	15.0
293.08102	22.1
293.11285	5.4
294.08710	9.7
295.09799	5.8
297.11191	28.3
301.10730	40.3
305.08038	14.7
306.08771	5.3
307.09720	10.3
309.11179	28.6
310.08240	5.3
313.10754	13.1
319.09570	4.7
321.11111	19.3
322.08524	4.2
322.11966	4.6
323.12646	6.1
325.10703	88.0
326.11444	3.9
333.11688	3.8
337.10648	65.2
339.12259	5.5
359.58914	3.3
373.14279	4.1
455.14944	7.8
473.16061	3.8
487.17374	12.7
499.17606	7.0
505.18549	9.4
517.18811	16.1
534.21771	4.1
535.19482	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	535.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.4
55.05524	1.1
56.05038	2.6
64.30024	0.2
67.05502	1.2
69.03426	1.0
69.07071	1.1
70.06596	0.8
70.12399	0.6
70.12778	0.4
72.08138	0.3
79.05494	0.5
79.22625	0.2
80.32326	0.2
81.03436	1.0
81.07057	0.7
82.06607	0.3
83.08636	0.5
84.08147	100.0
85.02909	2.0
85.06547	0.5
85.08475	0.3
86.09706	0.6
91.05485	0.6
93.07054	0.5
95.04965	0.5
95.08636	0.6
97.02903	0.9
97.06532	0.3
97.10207	0.4
101.10805	0.3
102.09174	0.5
103.05486	0.7
104.39236	0.2
105.07033	0.4
107.04971	0.7
107.08588	0.4
109.02892	0.5
109.06462	0.2
109.10175	0.4
111.04491	0.3
112.07636	0.5
115.05428	0.3
117.07020	0.2
119.04938	0.3
119.08627	0.2
120.08093	0.5
121.06548	0.3
121.10126	0.3
127.03938	0.9
128.07117	0.6
129.10271	2.3
130.08650	8.9
131.04950	0.4
133.02864	0.3
135.04433	0.2
135.11661	0.3
137.05974	3.3
143.04871	0.3
145.05017	0.3
145.06505	0.2
146.03670	0.2
147.04448	0.6
147.11287	3.4
149.06053	0.4
151.03906	0.5
151.07574	0.4
153.05511	0.2
159.08037	0.4
161.05957	1.0
162.06805	0.2
163.07579	0.4
165.06982	0.2
167.07047	1.2
175.07521	0.5
176.10733	0.2
177.05452	0.7
181.04913	0.3
181.06432	0.3
185.05811	0.2
187.07574	0.4
191.07013	0.6
199.07455	0.2
201.05673	0.2
203.07054	0.8
204.07602	0.3
209.06049	0.3
215.06953	0.3
217.08698	0.3
223.07649	0.2
227.06967	0.3
234.06644	0.2
235.07568	0.3
239.07040	0.2
243.06503	0.3
259.09747	0.2
265.08633	0.3
269.08228	0.5
277.08670	0.4
283.09555	0.2
287.05518	0.9
287.09186	0.6
292.26068	0.2
310.27411	6.4
311.12582	0.4
325.10654	0.3
337.10538	0.2
354.70880	0.2
355.11908	0.3
355.29517	0.6
363.12115	0.3
373.30627	48.2
374.30969	0.8
388.30124	0.2
397.30600	0.3
407.67560	0.3
415.32043	0.2
451.31726	0.4
467.62881	0.2
487.17035	0.3
517.19171	0.3
535.20410	0.5
549.18616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25702	3.6
51.72666	3.8
53.03949	6.6
55.01877	4.2
55.05507	7.5
56.05051	5.1
57.03437	5.7
60.04531	4.9
65.03922	3.9
67.05496	8.3
69.03419	15.0
69.07082	17.8
70.06578	6.7
70.22594	4.2
70.22943	12.5
71.05003	22.5
72.08167	5.9
73.04736	4.8
79.05505	24.5
80.42946	3.0
81.03410	14.4
81.07059	81.7
82.92948	3.4
83.04987	4.5
83.08649	5.8
84.04516	6.7
84.08151	34.2
85.02890	24.3
86.67062	3.4
87.05582	4.3
87.44185	3.1
91.05480	100.0
93.07056	30.4
95.04935	6.0
95.08606	15.7
97.02878	15.4
98.20681	4.3
99.04454	9.0
101.02395	32.4
103.05461	7.5
105.07030	40.5
107.04977	4.2
107.08595	47.7
109.02881	12.7
109.06523	4.7
109.10168	28.4
117.07006	8.0
119.02641	5.9
119.03428	75.6
119.08596	71.4
120.08090	12.8
121.10135	6.7
122.85692	3.5
123.11697	13.6
127.03937	51.1
127.11200	26.6
129.10226	7.3
130.05003	6.2
133.06502	4.5
133.10155	31.0
135.11699	80.4
137.05978	17.3
137.13245	3.9
143.10681	9.8
145.04938	9.7
145.06531	5.5
147.11673	21.2
149.13280	4.9
151.04013	4.5
153.12698	7.5
161.05971	15.3
161.13300	13.6
167.05641	4.4
167.07060	4.7
171.04468	4.7
171.11606	4.5
175.14932	4.0
179.07018	8.0
193.08627	39.0
201.56799	4.2
203.17960	53.5
215.05569	5.1
221.18977	30.6
239.09305	8.5
245.06564	6.5
263.07520	6.5
264.36603	4.0
299.06143	12.2
322.11343	4.0
355.11829	3.6
381.11829	3.8
522.03412	3.8
536.20441	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28588	4.5
53.03950	5.8
55.05316	3.9
55.05515	45.2
57.03444	11.1
57.07084	22.2
59.79942	4.7
63.99423	4.2
67.05177	6.6
67.05508	74.2
69.03423	18.9
69.07074	94.8
69.95572	20.7
71.08630	14.6
73.04742	4.8
79.05489	40.3
81.03414	40.1
81.06593	5.5
81.07064	89.3
83.04990	4.8
83.08628	60.9
83.87599	4.8
85.02900	30.9
85.06582	6.5
85.10187	10.0
91.05438	7.1
93.07050	47.6
95.08617	73.4
97.02891	20.6
97.06506	9.2
97.10158	41.1
99.04454	9.1
105.07054	6.5
107.08644	28.0
109.02875	6.4
109.06578	6.1
109.10175	32.4
111.08068	10.9
111.11724	14.0
119.08581	10.8
121.10159	56.6
123.11710	11.1
125.13261	5.7
127.03920	12.5
135.08090	7.9
135.11719	38.6
137.13254	6.2
145.04984	14.2
145.10147	5.2
147.11700	5.8
149.13261	12.4
163.14883	5.7
165.16376	7.2
167.05501	6.0
182.71536	4.2
219.17496	5.3
224.44986	4.5
247.24226	29.2
263.23758	8.3
265.25272	100.0
283.26419	9.0
299.06165	5.5
305.24277	4.8
307.26416	5.1
323.25812	9.7
339.29025	39.7
344.97430	5.3
345.27875	5.5
355.26395	10.3
357.30048	11.3
373.27411	44.8
391.28604	44.4
409.29474	62.7
427.30682	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	537.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
54.72332	0.3
55.01859	0.9
56.10194	0.2
57.03429	0.7
57.17632	0.2
61.02923	0.7
62.23986	0.2
68.99790	1.0
69.03085	0.3
69.03429	4.1
70.00507	1.1
70.06554	0.3
71.04993	0.4
73.02924	0.6
80.28757	0.3
81.03419	5.9
85.02905	5.6
86.09699	1.2
87.00826	1.9
88.03942	0.2
91.03950	0.3
97.02890	3.8
99.04453	1.4
101.02392	0.3
103.69291	0.3
105.01850	0.5
109.02886	8.0
111.04410	0.5
120.08113	1.8
121.02839	0.4
123.04402	0.5
127.03923	100.0
128.04277	1.0
129.01868	0.8
129.10193	0.3
133.06128	0.7
137.05998	0.5
139.03853	0.3
141.01865	1.6
145.04964	1.6
145.06425	0.3
147.02936	0.6
151.03926	0.5
153.05481	0.4
159.02876	1.0
161.71152	0.3
173.06006	0.5
177.05560	0.4
201.04016	0.2
205.04744	0.4
205.08545	1.4
213.03960	0.7
231.05067	1.4
233.16553	0.4
235.05766	0.3
273.06155	0.5
273.43234	0.3
277.11652	0.3
287.05478	0.3
303.07245	0.4
357.08389	0.4
357.13254	1.3
375.09372	0.8
468.21844	0.3
497.75983	0.3
522.13293	0.3
537.18610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01864	0.7
57.03430	0.7
61.02909	1.0
67.06324	0.3
68.99791	0.9
69.03429	4.7
69.17720	0.3
71.04978	0.6
71.08487	0.6
73.02917	0.6
81.03420	5.3
83.01338	0.3
83.04988	0.3
85.02908	6.2
87.00833	1.8
91.05457	0.3
95.04993	0.3
97.02895	4.2
99.04458	2.0
105.01880	0.8
109.02887	8.4
111.04461	0.5
118.97848	0.3
125.02356	0.4
127.03922	100.0
128.04250	0.7
129.01854	0.9
132.84933	0.3
137.06039	0.4
141.01845	1.1
145.02925	0.3
145.04964	1.7
147.02914	0.6
151.03888	0.4
159.02933	1.1
163.03958	0.4
193.05104	0.3
203.17163	0.3
205.04828	1.1
213.03896	1.4
217.05025	0.5
231.04895	1.8
247.06068	0.3
259.06091	0.3
273.06104	0.5
281.91263	0.3
313.06796	0.3
319.07822	0.5
322.94427	0.3
339.07269	0.5
357.08264	1.0
375.09219	1.2
388.53378	0.3
393.10706	0.4
426.95590	0.3
537.20117	1.6
537.27185	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.7
54.18170	1.4
55.01873	3.2
58.98293	1.3
61.02908	1.5
65.03931	2.1
69.03434	8.5
70.65791	2.9
70.66156	2.4
71.01345	1.5
71.04984	2.9
72.08141	1.2
81.03424	100.0
83.04978	1.3
83.19421	1.5
85.02909	41.2
87.82078	1.4
91.05488	72.4
93.02820	1.2
97.02877	8.6
98.21295	2.7
99.04473	18.3
103.05466	2.8
105.07024	2.1
109.02888	86.2
115.05456	20.3
117.07024	50.4
119.04951	57.5
125.02341	3.2
127.03926	90.8
129.07034	2.8
131.04922	1.8
133.06503	6.7
137.06026	2.7
139.03899	2.7
141.05464	6.5
143.04944	14.1
145.04996	6.8
145.06503	19.4
147.04376	2.5
147.90475	1.5
153.07027	3.5
155.06085	3.2
155.08574	2.2
161.06001	48.5
167.88895	1.4
169.04980	38.1
171.04388	12.5
171.08160	2.4
179.07112	7.1
179.08443	1.7
181.06479	4.3
183.08031	3.7
187.06042	9.3
189.05478	28.9
195.08046	3.1
199.07596	3.9
203.06960	2.3
207.06577	1.7
209.05978	8.2
211.06004	3.0
217.04993	9.7
223.07458	7.0
225.09172	1.9
227.06970	2.2
229.07089	8.0
241.08601	5.1
251.07094	2.7
269.08124	14.5
287.09229	3.2
297.07516	3.9
315.08832	6.8
317.67673	1.4
537.15833	4.5
545.67352	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01868	1.9
60.97897	1.2
65.03938	2.0
69.03426	4.6
69.48192	6.8
69.48597	3.2
70.06593	1.9
71.03490	1.2
79.05504	2.9
81.03403	4.7
81.07053	1.8
84.08139	2.2
85.02917	9.6
86.09714	2.2
91.05482	11.9
94.04188	3.7
95.04967	4.0
97.02894	2.3
98.09694	1.6
98.20680	2.5
99.04490	1.2
103.05463	8.4
105.07017	11.6
107.04946	7.7
109.02876	2.6
109.06509	2.0
111.04507	1.5
115.05478	6.0
117.07040	2.2
119.04935	8.9
119.08598	1.9
120.23328	1.3
121.06503	3.4
122.03657	8.4
123.04403	8.6
127.03938	9.9
128.06219	2.9
129.07021	4.5
131.04932	16.2
132.05682	2.9
133.06509	7.7
135.04405	2.6
137.05984	100.0
139.86899	1.4
141.07016	1.8
144.05719	2.7
145.04933	1.9
145.06494	2.4
147.04424	8.3
147.08037	3.8
149.06004	3.3
151.03886	3.1
151.07535	4.3
155.04897	1.8
156.05699	2.2
156.68103	1.6
159.08104	5.0
160.05203	2.1
161.05998	21.2
162.06847	1.5
163.07578	4.9
165.06870	1.6
167.07100	3.2
168.16133	1.4
172.05185	3.8
175.07558	20.8
177.05519	1.9
178.07753	1.9
179.07089	2.7
179.08531	2.7
184.05257	1.9
187.07568	17.7
189.05472	2.3
189.06987	3.0
190.07777	4.2
191.08629	8.7
193.06560	2.0
199.07556	10.9
202.07799	6.2
203.06949	1.6
203.08609	7.6
204.09399	1.7
205.06595	2.0
206.07364	3.8
207.08086	3.3
215.08662	6.6
217.08574	2.3
218.07208	7.0
219.08046	15.8
220.08900	4.0
221.05989	2.1
221.09637	4.7
225.09062	1.7
231.07986	9.1
232.08797	3.7
233.09689	6.3
234.06749	2.3
235.07533	4.9
236.08324	2.4
237.09148	1.6
246.06746	3.9
247.07542	5.8
248.08362	3.6
249.09094	7.7
250.09932	3.0
251.10689	9.9
253.08693	3.0
259.07602	3.6
259.11212	3.7
260.08353	2.9
261.09076	8.8
263.07166	2.6
263.10706	3.7
276.07880	2.5
277.08670	6.3
278.09409	3.8
279.10162	10.9
281.11551	2.1
285.11334	2.4
289.08578	9.3
290.09399	1.4
291.10107	8.0
293.11667	8.9
297.11249	4.0
300.07068	1.3
307.09641	2.5
307.25461	1.4
307.77258	1.3
309.11227	38.6
311.12793	14.5
321.11209	29.1
322.11945	1.5
323.12817	6.9
335.12915	2.4
347.12805	1.9
398.73865	1.5
440.26355	1.3
461.81708	1.3
516.94696	1.4
539.16486	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55601	1.2
53.03937	2.7
55.01860	2.6
57.03432	1.7
65.03933	1.7
69.03405	3.2
70.06590	2.3
70.63196	3.1
70.63566	2.6
72.08170	1.8
79.05483	3.5
81.03399	4.2
81.07042	2.2
84.08145	3.8
85.02892	4.1
91.05482	10.2
94.04181	4.7
95.04981	3.0
95.21660	1.5
97.02876	2.7
103.05459	5.1
105.07039	10.9
107.04961	4.9
109.02865	3.3
109.06518	2.0
115.05448	4.8
116.06210	1.3
118.04166	2.3
119.04955	7.7
119.08623	1.8
121.06537	3.0
122.03716	7.1
123.04440	1.8
127.03916	23.9
128.06218	3.8
129.06992	3.3
129.10313	2.0
131.04919	7.3
132.05692	3.2
133.02893	1.6
133.06483	7.9
137.05981	100.0
141.06973	2.0
144.05713	2.5
145.04901	1.4
145.06485	2.3
146.03650	2.0
147.04416	10.6
147.08012	4.4
149.05965	4.6
151.03859	2.8
151.07567	2.0
155.04781	1.4
156.05722	2.4
157.06523	2.4
159.04353	1.9
159.08038	5.3
160.05191	1.8
161.05991	20.6
163.03816	1.6
163.07532	2.5
171.04497	1.3
171.08002	1.8
172.05196	4.6
175.07561	22.8
178.07813	1.8
179.07050	4.8
181.06499	1.6
184.05180	1.9
185.06015	1.7
187.07545	17.1
189.07097	3.2
189.09134	2.0
190.07764	5.0
191.07028	1.9
191.08589	7.1
199.07535	15.1
202.07794	5.7
203.06911	1.6
203.08580	7.8
204.09332	1.6
205.06491	1.4
207.08078	3.3
215.08620	6.5
217.08569	2.5
218.07263	7.0
219.08086	13.8
221.05966	1.6
221.09583	5.0
231.08110	7.2
232.08766	3.2
233.09639	8.2
234.06836	2.9
235.07541	6.2
237.09097	2.2
246.06760	5.3
247.07524	5.8
248.08238	4.7
249.09113	5.9
250.09830	3.0
250.47894	1.4
251.10626	11.0
251.12869	1.8
253.08708	2.0
259.07562	3.4
260.08298	2.5
261.09131	11.4
263.06995	2.1
263.10617	2.7
265.08572	3.5
276.07996	2.0
277.08597	5.6
278.09354	3.3
279.10199	11.0
281.11490	1.4
285.11346	2.0
289.08609	5.9
290.09222	1.8
291.10211	8.4
292.10867	2.9
293.08514	2.2
293.11633	11.5
295.09814	1.8
295.13171	2.2
297.11179	1.9
309.11243	28.0
311.12778	19.1
316.06598	1.3
317.46387	1.6
321.11212	30.7
323.12817	7.7
412.96924	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	2.4
53.03937	6.5
55.01867	5.0
57.03439	2.4
59.37560	2.4
66.45451	2.1
69.03443	10.0
70.06589	7.4
71.04977	3.7
71.50398	1.9
71.50864	2.3
73.02914	3.1
79.05515	4.4
81.03419	17.4
81.07045	5.6
83.04983	1.8
84.04506	2.9
84.08131	9.5
85.02917	12.1
86.09710	3.0
91.05478	18.6
93.07037	2.6
94.04169	6.9
95.04955	4.7
95.08577	2.5
97.02880	6.8
98.97626	9.8
99.04442	4.6
103.05477	46.1
105.07048	10.3
107.04972	11.6
109.02905	13.4
110.97610	2.3
111.04440	6.8
115.05432	4.7
117.07054	2.8
119.04945	12.8
119.08585	3.4
121.02889	2.8
121.06498	4.0
122.03653	8.5
123.04442	3.2
127.03928	60.2
129.10172	3.0
131.04944	100.0
133.02884	2.7
133.06519	4.4
137.05995	99.9
138.06279	3.1
141.05423	2.5
145.04941	2.5
147.04428	12.4
147.08052	2.6
149.06003	3.8
151.03870	8.9
151.07536	4.6
153.05457	6.3
159.08064	3.6
159.11726	2.4
161.05991	24.8
163.07562	33.0
165.05602	2.4
167.05725	2.5
167.07025	9.2
171.08005	2.3
175.03931	7.4
175.07561	16.6
177.05440	7.2
179.07050	5.3
181.04988	4.1
181.06456	3.6
182.07115	2.0
184.05228	2.3
187.06108	2.4
187.07513	10.8
191.07016	5.2
191.55562	1.9
195.06534	3.2
199.07603	5.9
201.09041	3.5
203.06961	2.5
203.08694	2.7
205.08524	2.4
207.06505	16.5
209.08179	4.4
211.07549	5.3
213.09090	3.5
217.08536	2.5
219.01733	2.9
225.05496	2.6
231.08110	3.5
232.98135	2.3
234.06688	3.0
235.07582	2.9
237.09190	2.8
241.08539	6.7
249.09145	2.9
251.07149	3.7
253.08710	4.1
260.08298	2.7
261.09140	4.1
263.07053	2.5
265.08658	3.6
275.10596	3.3
277.08575	4.1
278.09354	3.7
279.06589	2.2
279.10416	4.1
283.09650	3.5
285.11270	2.2
289.08609	2.6
291.10098	4.1
294.08661	2.8
295.09647	6.4
300.06339	2.3
301.08548	2.7
307.09583	7.2
309.11389	2.6
311.12936	4.5
320.10522	3.2
321.11093	3.9
323.12787	3.3
331.09909	2.7
332.10477	3.0
335.12738	4.7
339.12167	4.6
344.00876	2.4
347.12759	11.5
349.15298	3.6
365.13821	12.7
391.16226	2.2
395.14813	6.6
415.11554	3.6
448.15237	24.2
449.15936	4.2
460.77438	2.6
471.18457	3.1
501.19086	7.5
519.20258	6.0
537.21643	9.9
541.83984	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
54.52425	1.9
57.03460	2.5
59.25757	2.1
64.31493	2.2
65.03928	3.1
69.03422	13.3
70.06599	6.3
70.56506	7.4
72.08157	2.4
79.05505	4.6
81.03431	16.8
81.07066	5.0
83.05003	3.4
84.04518	2.8
84.08150	3.8
85.02908	12.2
86.09705	4.7
87.78401	2.0
91.05484	19.9
93.03417	2.1
93.07015	3.6
94.04195	3.0
95.04998	3.9
97.02882	6.7
98.97594	7.6
99.04459	2.8
103.05477	54.8
103.50887	2.2
105.07044	6.0
107.04964	8.6
109.02905	11.0
109.06550	2.2
111.04449	6.4
112.99142	2.6
115.05491	3.2
116.98631	2.8
119.04941	13.3
119.08605	2.6
121.02908	2.4
121.06472	2.3
122.03656	10.7
127.03937	53.3
129.07027	3.9
131.04945	100.0
131.08575	1.9
133.02856	3.9
133.06445	4.3
135.04446	2.6
137.05989	97.2
138.06413	2.2
141.05472	3.1
143.04976	2.7
144.05775	2.9
147.04405	11.3
149.06006	5.5
151.03912	4.8
151.07515	6.8
153.05452	4.2
157.06485	3.1
159.08046	3.7
160.05215	4.5
161.06000	24.4
163.07558	32.2
167.07059	9.1
171.07910	2.2
175.03908	7.3
175.07532	13.0
176.04373	2.0
177.05429	4.9
179.07106	4.7
179.08588	2.1
181.04929	3.4
187.07555	12.0
191.06998	5.3
193.06592	2.9
195.06490	3.9
195.08083	2.6
199.07573	8.3
201.05617	2.2
204.49553	2.4
205.08531	4.4
207.06522	15.6
211.07579	6.0
213.09175	3.5
217.08565	3.3
219.01755	3.0
221.05997	2.9
225.09167	3.6
241.08540	4.6
243.10281	3.2
247.07574	3.2
248.08168	3.8
253.08447	2.7
259.09833	2.6
264.07828	3.0
265.08517	5.8
267.09970	2.8
280.07123	2.5
283.09619	2.3
287.10547	2.5
290.09354	2.5
294.08884	6.4
295.09698	3.7
297.11285	3.2
307.09729	5.9
309.11130	4.3
315.09753	3.0
321.11328	4.4
325.10757	2.9
332.10303	3.6
335.12805	6.1
339.12155	3.7
347.12732	9.0
365.13812	10.2
377.14035	2.8
387.12369	2.8
395.14954	7.9
399.12054	2.7
429.13556	2.7
448.15353	23.9
449.16058	5.5
461.15921	4.9
501.18695	6.9
504.67636	2.3
519.19482	8.7
537.21851	5.3
550.29846	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	538.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02894	1.4
61.05093	1.3
62.85288	1.4
69.03430	2.7
71.50074	1.8
76.34302	1.5
85.02909	12.2
91.05486	14.2
97.02889	3.2
98.14002	1.4
105.07072	1.6
119.04951	25.7
127.03915	5.6
133.06494	5.5
135.04399	1.5
137.05956	3.9
145.04945	4.0
147.04417	100.0
153.05530	1.7
161.06036	2.2
167.07085	2.9
170.42337	1.4
177.05365	1.4
179.07042	77.8
197.08119	8.0
257.62378	1.3
391.08755	1.5
541.54968	1.7
563.45184	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27155	0.6
55.01855	0.9
55.06141	0.5
55.31157	0.5
67.61953	0.5
68.30329	0.5
69.03422	1.7
69.61358	1.3
69.61757	3.2
70.06607	3.5
72.08154	0.7
72.91512	0.6
75.49306	0.6
79.05479	1.6
81.07059	1.4
85.02905	5.9
86.09698	2.3
91.05477	4.3
93.07037	1.4
94.04184	2.9
95.04935	0.8
97.02896	1.7
98.21536	0.7
103.05450	2.4
105.03413	0.9
105.04511	0.7
105.07032	6.4
107.04977	1.3
109.06494	1.2
110.07230	0.6
115.05463	1.9
117.07024	2.3
119.04978	0.8
119.08573	2.1
120.08123	1.4
121.06516	1.7
122.03662	5.4
127.03933	1.9
128.06177	0.7
129.07007	1.7
131.04916	2.3
132.05688	2.1
133.06485	4.2
135.08044	1.5
137.05981	100.0
138.06328	1.3
143.04930	1.1
145.05116	0.7
145.06505	2.8
147.04401	2.3
147.08060	2.2
149.05969	5.4
151.07487	0.7
152.07997	0.7
156.05653	0.6
157.06445	0.8
159.08073	1.8
160.05209	1.3
161.05997	17.0
162.06754	2.6
163.07549	2.4
167.07048	1.6
172.05118	0.9
173.06076	0.9
175.07555	27.5
177.09126	0.9
179.07080	0.8
187.07544	7.5
190.07788	1.0
191.08582	4.8
193.08620	5.4
195.10201	4.4
196.10536	0.7
199.07619	3.1
202.07809	1.1
203.08607	2.4
205.06854	0.6
205.08626	2.6
217.08694	1.1
218.07312	1.1
219.08052	6.7
220.08951	1.0
231.08134	3.1
231.10178	0.9
233.09528	0.6
236.08281	1.2
247.07472	3.9
248.08388	1.6
248.16046	0.6
251.10686	11.0
253.08589	0.7
259.07639	1.3
260.08350	0.7
263.10733	2.0
264.07883	1.2
265.08652	1.0
269.11826	0.6
276.07932	0.8
277.08691	0.7
279.10178	10.9
280.10843	1.1
281.08163	0.9
291.10187	4.2
292.10895	1.6
293.13364	0.8
296.10324	1.1
309.11420	1.0
311.12787	25.2
323.12769	8.8
329.13733	4.9
340.18851	0.7
341.13885	7.4
358.19528	0.7
409.26566	1.2
421.28174	0.9
439.29239	1.0
457.30371	3.5
475.31210	10.5
538.30865	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	538.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
61.02916	2.0
67.05503	1.5
69.03433	5.0
70.06596	18.3
71.51407	2.6
72.08167	2.3
74.06105	1.6
79.05524	2.6
81.03434	3.8
81.07071	2.6
84.04515	4.1
84.07723	2.0
84.08144	10.5
85.02891	9.3
86.09718	8.3
91.05485	4.0
97.02900	4.1
100.11270	4.7
103.05486	3.3
105.03401	5.1
105.07055	2.3
107.04980	5.1
109.02901	2.9
110.07185	2.7
114.05531	1.5
115.05482	5.9
117.06988	2.2
119.08556	1.6
120.08115	3.3
121.06525	1.8
122.03671	7.7
127.03918	14.0
128.04298	3.7
128.06255	1.9
129.07018	5.2
129.10255	6.4
131.04933	6.2
133.10101	2.9
137.05986	100.0
138.06360	4.5
140.33978	1.5
143.04936	9.0
144.05719	1.9
145.04985	3.4
145.06470	2.1
147.04425	2.6
151.04007	2.4
157.06487	5.8
160.05206	18.7
161.05971	5.4
163.07547	4.4
167.07123	2.2
167.87195	1.5
168.13913	1.7
172.05174	3.1
174.06807	1.9
175.07559	98.8
182.15399	2.3
187.07558	34.8
189.09195	7.3
199.07573	2.3
205.08607	20.8
217.08658	4.2
219.08112	3.5
231.08090	4.1
235.09686	17.2
271.09674	2.1
279.10071	3.1
291.10220	6.9
309.11044	2.4
311.12775	6.1
323.12781	5.5
341.13757	5.2
378.05786	1.6
484.99380	1.5
539.24353	6.0
555.36615	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01866	3.2
55.05507	3.9
57.03442	6.9
59.04998	1.8
59.20406	0.9
61.02919	3.7
61.80529	1.0
65.03927	1.6
67.05496	2.1
69.03087	1.5
69.03432	18.4
69.07059	2.5
70.06582	2.2
70.70309	2.1
70.70671	1.3
71.01357	1.6
71.04994	43.9
73.02905	2.6
73.06552	3.6
73.67728	0.8
75.04481	1.7
78.25220	0.8
79.05486	7.5
81.03002	1.6
81.03430	21.2
81.07064	18.7
83.04981	15.0
84.08137	1.2
85.02911	69.1
86.15949	0.9
87.04472	2.2
91.05479	4.2
93.07057	12.4
95.04965	3.8
95.08605	1.3
97.02897	7.7
97.06530	2.2
99.04462	6.4
100.78806	1.1
101.02319	1.1
103.03944	17.0
105.07025	1.4
107.04970	4.5
107.08602	10.4
108.04494	1.1
109.02888	25.2
109.10164	1.5
111.04446	13.3
113.06013	1.1
123.04401	2.7
125.02351	1.7
125.05969	0.9
127.03925	37.7
129.05479	12.4
135.04453	2.4
135.11693	21.0
137.05994	5.1
139.03925	1.3
145.04977	8.6
145.06113	1.1
145.06511	0.9
147.04434	1.8
147.06520	4.4
149.05951	1.4
151.03857	2.1
153.05489	2.1
153.12753	100.0
157.04990	1.1
159.06473	1.1
163.06038	1.3
164.09210	2.5
165.05437	3.4
169.04974	10.7
171.06465	2.1
177.05458	1.7
181.04999	2.3
187.06033	11.1
189.07645	1.9
191.07039	3.4
195.06458	0.9
205.07082	35.1
219.06570	2.8
229.07066	1.5
231.08578	1.6
237.07600	12.9
247.08047	1.3
255.08646	7.5
265.08789	0.9
273.10126	1.1
297.09708	2.9
315.10773	11.0
333.11685	4.4
340.12622	1.1
351.12823	2.1
361.70218	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.3
55.05518	15.9
57.03436	3.1
57.07079	98.7
57.28144	2.5
67.05510	34.5
69.03434	16.4
69.07078	18.7
71.04980	3.2
71.08636	76.8
71.48138	3.9
79.05498	3.9
81.03412	11.1
81.07066	52.3
83.08620	22.5
83.51971	2.5
85.02911	34.9
85.10189	47.1
89.04515	3.1
95.08614	72.1
97.02898	19.2
97.10175	31.8
99.04472	6.2
99.11700	3.4
108.04423	5.2
109.02870	10.8
109.10162	33.9
111.11716	16.9
123.11699	17.1
125.13274	2.9
127.03916	36.2
137.13223	8.1
145.04980	28.9
165.16382	3.5
177.75073	2.5
204.36737	2.8
249.25768	4.4
259.84781	3.2
267.26846	100.0
267.29749	4.9
285.27927	8.0
341.30490	27.4
357.30139	4.1
369.30093	6.4
411.31082	58.0
429.32129	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.5
55.05520	8.1
56.05021	5.5
57.07061	5.0
60.04518	3.3
67.05515	12.5
68.05025	3.9
69.07076	9.5
70.83804	3.5
71.08638	3.3
79.05508	10.7
80.05011	3.1
81.07065	13.3
82.06579	6.9
83.08616	4.8
91.05474	8.0
93.07044	9.4
94.06575	23.4
95.07350	10.5
95.08615	7.7
96.08116	5.4
97.10151	4.0
101.13185	1.3
105.07043	5.4
107.08609	6.8
108.08120	3.0
109.10149	5.8
119.08574	6.0
121.08810	1.3
121.10165	8.3
122.09671	3.2
133.10129	3.3
135.11684	4.5
137.45552	1.3
148.77864	1.3
207.04704	1.4
209.94597	1.5
219.21046	6.6
222.89804	2.2
231.21100	4.4
234.22054	3.0
236.23788	9.2
240.90933	2.8
248.23753	100.0
262.25415	1.8
266.24832	8.6
272.25821	3.5
281.91245	2.8
282.27679	1.8
283.28165	2.4
304.28281	1.8
336.25653	1.6
414.58856	1.4
425.79657	1.5
478.86432	2.7
490.46536	3.3
502.46265	8.3
503.21457	1.5
520.47028	6.1
538.51886	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	539.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84687	0.4
69.55309	0.4
71.09136	0.4
86.86025	0.4
91.05487	0.5
107.04964	0.7
107.68657	0.5
127.03898	0.7
145.27484	0.5
198.06773	0.6
223.39886	0.4
226.06187	0.7
237.05453	1.0
241.08597	1.0
251.03703	0.6
271.09473	0.5
305.80994	0.4
340.07358	0.9
348.07788	0.9
349.08719	0.5
360.07736	0.5
361.08582	1.0
362.09314	0.9
363.10193	1.2
364.06955	0.5
368.06668	0.5
373.08371	0.5
374.09525	0.5
375.06064	0.7
375.10355	1.1
376.07309	1.2
377.08051	1.3
378.08667	0.6
379.09708	2.0
387.08771	0.7
389.08011	1.8
390.08917	2.3
391.09671	4.0
392.06650	0.7
393.07312	0.9
396.06165	0.6
401.07941	0.8
402.09073	0.9
403.09979	0.9
404.06558	0.8
405.11203	1.7
406.08313	1.3
407.08847	2.0
417.07288	1.9
418.08240	1.7
419.08795	3.4
421.10077	0.9
421.14514	1.5
422.11551	1.2
423.12494	0.5
429.07483	0.8
430.08527	0.9
431.08908	1.3
432.10001	1.4
433.10757	2.3
434.12143	2.4
435.07928	2.1
436.09079	0.5
437.13913	3.9
443.08841	0.6
444.09799	1.3
445.07111	1.8
446.07886	1.6
447.08133	1.3
447.12823	1.2
448.05853	0.7
449.09973	1.8
450.11005	2.0
459.08630	1.1
460.09586	4.5
461.10077	2.5
462.11420	0.7
463.08084	1.5
464.13202	0.7
465.13962	3.1
474.07425	0.8
475.06879	0.5
475.12820	4.0
477.09772	0.8
478.10260	2.2
479.11197	3.0
488.09024	1.9
489.09622	2.8
490.10400	1.2
491.07352	0.6
493.12750	6.0
495.14371	3.9
503.11511	1.8
505.09274	1.2
506.10056	6.2
507.10678	1.4
511.17722	0.5
521.12079	7.2
539.13354	100.0
540.13849	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1705
Annotation	Volucrin
Peak:m/z	Relative Intensity
68.76010	1.5
69.42054	7.9
69.42480	5.2
72.04369	1.6
76.03209	1.5
81.06987	1.6
82.39395	1.6
86.04523	1.5
91.05471	2.3
98.21484	3.8
107.04942	1.8
109.02970	1.7
128.06198	3.2
132.29633	1.7
133.10078	1.7
141.06952	1.8
144.05684	1.7
145.06410	1.8
151.07544	2.6
153.06970	1.7
156.05641	4.0
168.05742	1.9
169.06473	2.8
170.07350	1.9
171.08086	5.7
181.01260	1.6
184.05180	3.9
195.07858	2.5
197.05984	1.8
199.07555	29.2
201.09105	5.6
211.07501	6.5
213.09105	2.8
215.07037	4.5
219.08031	1.8
225.09073	2.5
226.09851	6.5
227.07011	34.2
237.05435	3.1
239.06995	2.4
241.08646	4.3
242.09425	6.1
243.10098	1.8
255.06581	6.7
256.10895	2.5
257.11716	11.8
267.10211	2.2
270.08896	1.7
271.09555	2.0
284.20447	1.9
285.11261	28.0
291.06577	1.9
299.09091	2.1
314.95605	1.6
321.07611	4.4
347.10861	3.5
361.12473	2.2
364.10901	2.8
374.09048	2.0
375.10037	2.8
376.11035	4.3
386.09500	2.3
387.10138	2.6
388.11078	2.7
389.11377	2.5
390.12549	3.1
392.10272	4.0
400.11169	2.3
403.09656	5.0
404.10300	2.8
405.11368	3.0
407.12766	4.6
417.11246	6.4
418.12177	10.5
419.12891	5.6
420.09808	5.4
421.10315	2.4
429.11288	3.8
431.13263	3.1
432.09631	2.5
433.10629	7.8
434.11224	8.7
435.12091	5.6
438.10574	1.9
445.10855	7.6
446.11530	6.9
447.12155	8.6
448.13446	14.8
449.14215	3.2
450.14822	4.1
451.15207	6.2
460.13278	2.4
461.13834	7.8
462.14777	3.0
463.11121	24.9
464.12521	11.9
465.12854	3.0
468.15848	3.7
474.11029	3.7
475.15527	2.5
476.12952	2.8
478.14044	7.5
479.14951	33.0
480.15808	18.1
481.12579	7.9
483.17841	5.9
489.13245	22.2
490.13895	4.7
493.16629	20.1
495.14401	5.0
496.15082	8.9
503.15009	6.4
504.15625	6.6
506.13489	6.7
507.14334	7.9
508.14948	3.0
511.17551	100.0
512.17780	5.1
521.16010	31.3
539.17157	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	539.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.8
55.05503	9.5
57.18625	7.1
61.02927	8.1
67.05496	21.7
69.03431	37.5
70.06596	12.1
71.51283	10.8
74.20909	7.0
81.03423	59.5
81.07051	13.8
83.04935	12.3
85.02917	68.1
88.66310	7.3
89.03908	17.1
91.05477	50.6
92.05827	16.3
93.07006	12.4
95.04948	9.5
95.08552	8.5
96.07094	7.7
96.86507	8.0
97.02882	26.5
97.39720	7.4
99.04448	17.1
103.03960	9.0
103.05451	11.8
105.07028	19.2
107.04961	53.3
107.08556	10.5
109.02902	54.2
111.18604	8.4
116.87493	7.8
117.03381	31.3
117.07001	9.2
119.04929	12.6
119.08586	11.7
121.06479	11.5
127.03920	57.5
131.04880	15.0
131.08606	9.3
133.06476	16.9
137.06000	59.5
138.84828	8.6
140.19798	7.1
145.02849	66.6
145.05054	8.7
145.10114	12.6
147.04425	27.6
149.05992	16.9
151.03897	17.8
159.11731	11.1
161.05995	23.1
163.07550	14.5
177.05505	94.1
187.11247	11.6
195.06557	15.3
200.39265	7.5
226.06255	12.6
227.07120	23.8
237.07562	11.4
241.08624	15.3
269.08173	56.0
270.08893	24.5
271.58884	8.1
432.09937	15.8
447.12201	18.2
459.24750	8.6
475.11813	14.6
476.12152	10.3
479.14758	16.4
490.14301	14.3
493.16464	11.2
507.14618	18.3
539.17194	100.0
540.17444	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	540.9876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96298	0.5
56.96568	4.7
70.38055	0.4
71.49747	0.5
71.95256	1.7
80.63440	0.4
98.97589	85.7
116.98629	35.7
117.52702	0.4
134.99670	8.6
140.00259	1.2
154.93266	0.5
158.93365	0.4
172.94370	3.3
190.95421	2.2
197.95335	0.7
208.96472	0.7
214.95422	4.2
230.14351	0.4
232.96478	7.1
240.98889	1.0
250.97504	2.2
256.96442	22.1
258.99823	8.6
259.02551	0.8
272.94498	0.6
274.50415	0.4
274.97528	100.0
275.97830	0.9
277.00803	8.9
283.00006	0.9
284.99860	0.6
290.95450	0.5
292.98578	49.4
293.98886	0.5
297.98972	2.0
298.97760	1.4
301.01111	0.7
303.00861	0.5
314.95468	0.6
316.00360	0.9
316.98859	1.7
317.99072	0.5
332.96649	1.2
374.97968	1.4
382.99988	1.3
383.95065	0.5
390.95605	0.5
398.97653	26.8
399.97696	0.4
401.00952	2.7
416.98712	45.5
417.98965	1.0
434.99835	5.6
440.00369	1.5
444.02713	0.5
456.96970	1.9
458.99991	0.5
488.13928	0.4
498.97650	0.6
540.98895	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	541.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
57.03456	1.6
61.02939	2.1
69.03439	8.4
70.75009	2.7
70.99906	1.3
72.78006	1.1
76.25763	1.1
79.83147	1.1
80.62975	1.2
81.03416	1.8
82.99879	4.3
85.02909	17.5
97.02894	6.4
98.97573	2.8
99.04482	1.6
100.25526	1.2
101.00887	26.3
101.02298	1.6
109.02853	1.4
113.00890	4.3
115.02484	2.5
119.01929	29.6
119.02709	2.2
127.02414	6.8
127.03912	9.2
129.03986	2.6
131.01906	11.1
132.95856	2.1
139.02428	2.4
143.01906	31.0
145.03482	22.7
145.04956	7.1
147.04367	2.4
149.02882	1.5
155.01901	21.6
155.53487	1.2
157.03467	8.5
158.97487	1.4
161.02985	23.9
167.01920	14.3
169.03531	4.7
170.99786	1.2
171.01395	3.9
171.05037	10.4
173.02977	24.1
174.96899	4.7
175.04512	1.6
179.01945	5.0
181.03436	2.2
183.05109	1.3
185.02968	45.4
185.04616	2.2
186.96916	2.9
187.04472	6.2
189.00896	1.5
189.02502	4.1
191.03960	1.9
195.04976	1.3
197.02986	20.8
198.96936	2.9
199.00905	9.6
199.02591	1.7
199.04524	2.4
203.04048	9.1
209.02980	2.4
215.04012	12.2
216.98045	2.4
217.01938	17.3
221.03122	1.6
221.04996	2.6
225.06149	1.4
227.03958	9.9
234.99055	4.3
239.04218	1.6
245.05092	100.0
246.05161	2.0
257.05115	7.6
259.02988	9.0
263.06134	11.2
265.05582	1.9
271.02936	2.4
275.06143	13.6
277.00027	8.5
277.04099	9.4
289.04025	7.2
293.07190	5.2
295.01068	2.5
299.06284	1.9
301.04077	6.6
305.07205	9.1
307.01343	3.0
307.04932	1.8
317.07016	1.6
319.05130	15.7
335.08356	2.2
361.06165	7.1
365.09454	8.4
379.07233	11.4
397.04105	6.4
541.11932	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	4.5
70.53864	2.9
70.99853	1.1
73.67178	1.1
77.90869	1.0
82.99870	3.1
85.02908	13.6
89.00939	1.2
91.74590	1.1
97.02903	4.8
98.97609	1.5
99.04468	1.2
101.00889	27.0
109.02835	2.3
113.00910	6.2
115.02428	1.2
116.38746	1.0
119.01927	27.0
125.00894	1.0
127.02431	8.5
127.03911	7.2
129.00327	1.5
129.04013	3.1
131.01927	9.6
132.95868	1.9
133.03470	1.6
134.93254	1.1
137.02988	1.9
139.02420	2.1
143.01907	30.4
145.03481	18.5
145.04974	4.2
147.01395	1.4
147.05019	1.9
153.04001	1.8
155.01898	23.5
157.03485	9.9
161.02982	22.4
163.27986	1.0
167.01910	14.6
169.03505	5.8
171.01425	2.2
171.05055	9.2
173.02963	21.1
173.04372	2.1
174.96916	3.0
175.04527	1.9
179.01917	7.1
181.03497	2.0
183.04857	1.3
185.02974	43.0
186.96927	2.5
187.04530	4.2
189.02466	2.9
195.04974	1.2
197.02977	19.7
198.96912	2.5
199.00906	10.0
199.04535	2.1
203.03995	9.0
209.02908	2.2
210.96992	1.2
211.04636	1.3
213.02464	1.3
215.04053	11.6
216.97971	2.1
217.01952	22.7
221.03030	1.0
221.05089	1.5
225.05806	1.1
227.04037	9.5
229.01836	1.7
233.04958	1.3
234.98972	2.5
239.04044	2.4
245.05093	100.0
246.05391	1.6
247.02942	1.4
257.05191	5.7
259.03003	12.5
263.06210	11.0
271.03067	1.4
275.06186	13.6
277.00214	6.5
277.04047	12.3
289.03882	6.8
293.07217	3.6
295.01187	1.6
299.06018	1.9
301.03976	8.9
305.07098	10.4
307.01215	2.8
307.04913	1.2
317.07269	1.3
319.05103	12.7
320.05136	1.1
335.08191	3.6
361.06122	8.8
365.09229	7.3
379.07205	14.8
385.96826	1.3
397.04379	4.2
541.12274	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	541.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
53.03747	0.7
53.03950	7.8
54.15593	0.7
55.01876	1.2
57.03444	0.9
64.38982	0.6
67.05506	0.8
68.99785	0.9
69.03440	6.3
70.06609	4.1
71.04990	0.8
71.51379	0.8
72.08176	0.8
74.06061	0.8
77.03945	1.8
79.05495	5.8
81.03423	13.3
84.04510	0.8
84.08154	2.2
85.02917	8.5
86.09735	1.6
91.05527	1.4
93.03397	1.1
95.04974	6.6
97.02902	9.4
99.04460	1.8
103.03948	2.4
103.05453	0.7
105.03401	100.0
105.04539	3.0
105.07009	0.8
106.03770	1.0
107.04964	37.7
109.02878	7.0
111.04448	2.3
119.04951	0.8
121.06537	1.6
123.04428	6.6
127.03921	7.6
129.10240	1.3
131.04916	1.7
135.04419	1.7
137.05997	1.4
139.03912	35.5
145.04985	1.6
147.04388	1.4
149.06010	6.4
151.03882	3.7
163.03911	7.4
165.05589	1.4
173.05989	1.0
177.05516	2.3
181.04964	7.3
181.06378	1.0
191.06946	0.9
201.05496	1.7
205.04991	7.0
229.04848	1.6
231.06506	1.0
247.06013	7.6
249.07611	14.3
257.05603	1.3
257.08099	10.4
267.08615	4.4
275.09146	5.1
299.09244	2.6
317.10260	0.8
337.10526	0.8
343.11865	0.8
347.08990	0.9
351.08746	0.8
365.10318	3.0
387.10809	2.4
405.11914	2.5
522.16766	0.7
541.16608	0.9
541.29510	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.186
Annotation	Hydroxyxanthorrone
Peak:m/z	Relative Intensity
51.92170	0.4
52.81618	0.4
55.01878	2.3
58.47672	0.4
69.03432	0.8
79.05477	0.6
81.03354	0.4
81.07007	0.7
91.05470	0.4
93.06976	0.4
98.20806	1.0
105.06992	0.9
107.04913	1.5
107.08528	0.5
109.10057	0.5
114.71834	0.4
119.08580	0.5
121.06433	0.5
149.09662	0.4
152.06152	0.8
161.09624	0.5
165.07019	2.4
167.08537	0.8
168.05634	0.4
169.06491	0.9
171.08018	0.5
171.52957	0.4
181.06424	0.7
182.07271	1.3
183.08043	1.1
184.08865	0.7
185.05934	1.2
187.07512	1.1
188.79018	0.4
193.06494	1.2
194.07243	1.7
195.08125	1.1
196.05159	1.1
197.05919	3.7
197.09566	0.7
198.06721	0.6
199.07562	0.5
200.08298	1.8
201.05406	0.7
201.09099	0.7
210.06747	1.8
211.07588	2.1
212.08328	11.0
212.10400	0.5
213.05496	3.2
213.08813	0.5
215.07047	0.8
215.10687	1.5
225.09091	7.1
226.06218	2.3
227.07024	2.4
228.07813	9.7
229.08559	0.8
237.05322	0.7
238.06200	0.5
239.03447	0.8
239.07031	1.2
240.07845	0.9
241.08603	2.0
243.10184	26.3
253.08585	3.8
254.05859	1.0
255.06371	0.7
256.07288	1.0
257.08414	0.5
269.08102	3.7
270.08893	2.3
271.09662	100.0
272.10248	2.6
314.73422	0.4
367.72977	0.4
389.12360	0.4
391.09781	0.5
398.48291	0.4
402.08649	0.6
404.10522	0.6
405.11197	0.9
416.10257	0.8
417.10953	1.1
418.12076	0.5
431.12906	0.5
432.09253	0.8
433.10880	1.1
434.11212	1.0
435.12079	1.3
436.12988	0.6
446.11414	0.7
448.13129	0.6
449.13516	1.1
452.13248	0.5
460.13165	0.6
461.09933	0.5
462.10532	0.8
463.15677	1.2
465.13095	1.1
466.13672	0.7
476.12308	0.8
477.13275	1.8
478.14285	3.3
479.14972	2.0
480.15244	1.0
491.14746	1.5
492.15125	0.6
494.13760	1.4
495.18094	0.6
509.15973	4.2
510.16333	0.5
541.18317	20.6
542.19104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1858
Annotation	Hydroxyxanthorrone
Peak:m/z	Relative Intensity
55.01880	1.5
61.04487	0.3
69.03402	0.5
70.95663	0.7
94.95840	0.3
96.35548	0.3
101.33753	0.3
116.57702	0.3
141.06972	0.4
152.06168	0.5
153.06967	0.4
155.08537	0.6
157.06422	0.5
165.06964	1.8
167.08548	0.7
168.05705	1.0
169.06503	0.5
179.08496	0.4
181.06459	1.0
182.07253	1.8
183.08020	0.9
185.05945	1.1
186.06731	0.4
187.07594	0.6
193.06496	0.5
194.07294	1.7
195.08051	0.7
196.05196	1.0
197.05992	3.6
198.06763	0.8
199.07513	0.6
200.08282	1.1
201.05490	0.4
201.09109	0.7
210.06697	2.0
211.07518	2.0
211.52373	0.3
212.08324	11.3
213.05469	3.4
214.05910	0.4
215.07060	0.4
215.10680	1.8
217.08606	0.7
218.08897	0.4
221.05936	0.4
225.05521	0.4
225.09103	6.9
226.06296	2.0
227.07086	1.9
228.07823	7.8
229.08603	0.6
237.05432	2.1
239.03267	0.4
239.07063	1.8
240.07776	0.9
241.04909	0.6
241.08578	2.9
242.09247	0.5
243.10182	25.1
253.08589	3.7
254.05841	0.9
255.06531	0.7
256.07263	0.7
257.08093	1.1
269.08093	3.5
270.08740	1.7
271.09653	100.0
272.10333	5.5
374.08984	0.4
377.11978	0.3
390.08832	0.6
391.09583	0.6
403.09482	0.5
405.10822	0.5
406.12134	0.5
417.11249	1.0
420.09738	0.5
433.10684	0.9
434.11505	0.9
445.10657	0.4
446.11893	0.5
448.12680	0.4
449.14081	1.9
451.11438	0.6
460.12903	0.4
462.10870	0.6
463.16156	0.6
466.14258	0.5
476.12830	0.5
477.13242	2.0
478.14197	2.2
481.16721	0.8
491.15274	0.9
492.15503	0.5
494.13666	0.8
508.15939	0.4
509.15955	5.2
510.16272	0.8
523.17535	0.8
541.18500	13.1
542.19159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1857
Annotation	Hydroxyxanthorrone
Peak:m/z	Relative Intensity
55.01828	1.5
67.12962	0.4
71.51406	0.5
91.05459	0.6
116.65017	0.4
148.77396	0.4
152.06175	0.6
153.06932	0.8
165.06990	2.0
167.08516	1.0
168.05663	1.0
169.06367	0.6
170.07300	0.4
180.05624	0.4
181.06467	0.9
182.07245	1.4
183.04460	1.8
183.08060	4.6
184.08824	0.4
185.05931	0.9
186.06731	0.5
187.07532	0.6
189.09062	0.6
193.06413	1.1
194.07237	1.7
195.08022	1.4
196.05176	1.7
197.05989	4.2
197.09663	0.9
198.06758	15.5
199.07411	0.7
200.08315	1.3
201.09058	1.1
210.06754	1.6
211.07549	9.3
212.05008	0.6
212.08330	10.6
213.05446	3.2
213.08971	0.7
215.07065	0.6
215.10739	1.7
225.09100	6.8
226.06248	2.6
227.06995	2.9
228.07800	8.1
229.08598	3.8
237.05524	0.4
238.06107	0.5
239.07034	13.2
240.07730	1.1
241.08598	26.5
243.10175	26.4
253.08562	4.2
254.09369	0.5
255.06502	1.2
255.10281	0.5
256.07257	1.1
257.08090	10.1
269.08060	3.8
270.08884	4.0
271.09644	100.0
272.10413	37.7
273.10925	0.6
299.09052	0.6
400.99728	0.4
405.11179	0.4
418.12164	0.4
422.11475	0.5
430.11243	0.4
431.13635	0.4
434.11191	0.6
448.13300	0.5
449.14047	0.5
463.15610	0.6
465.13583	0.4
475.11499	0.5
477.13458	1.4
490.14194	0.5
492.15848	1.3
493.13086	0.8
495.17892	1.3
505.16483	1.3
506.17026	0.5
508.15195	0.7
509.16116	1.1
513.19330	1.6
523.17560	3.3
541.18604	43.4
542.18915	1.2
569.94342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
67.05475	0.3
69.41662	2.7
71.37071	0.3
80.61483	0.3
85.02895	0.8
103.62430	0.4
115.05450	0.9
128.06192	0.6
129.06993	0.5
140.54636	0.4
141.07002	7.6
142.07813	0.8
143.08609	0.4
152.06213	2.3
153.06993	8.4
154.07764	0.9
155.06035	0.4
155.08578	2.2
156.05678	0.6
157.06497	0.5
161.06000	0.6
165.07042	1.9
167.08557	0.7
168.05731	1.2
169.06526	2.5
170.07330	1.8
171.08044	5.2
180.05717	0.5
181.06470	3.9
182.07269	4.8
183.08086	2.9
185.06007	0.9
185.09610	0.7
187.07562	0.5
188.08328	0.4
194.07373	0.8
195.08075	1.3
196.08791	0.4
197.06055	1.8
198.06783	4.5
199.07545	16.5
200.08325	0.9
201.09142	0.9
209.05928	2.2
210.06740	0.7
211.07590	2.5
212.08382	3.7
213.05516	1.5
213.09108	29.0
215.07056	0.9
215.10614	0.5
225.09093	3.5
226.06129	1.8
227.06848	0.5
228.07819	2.5
239.07048	1.1
241.08603	100.0
242.09015	1.3
243.10181	14.8
253.08601	1.7
257.08142	0.8
269.08151	1.4
269.11523	0.3
271.09656	28.2
272.10428	5.1
273.11169	1.1
299.09119	1.6
378.12616	0.5
402.12433	0.6
403.12656	0.4
406.12564	0.4
420.13809	0.5
434.11432	0.4
437.13284	0.4
447.11685	0.7
449.14047	0.5
452.16116	0.7
453.16794	0.6
463.15402	0.4
465.13364	0.5
466.14142	0.6
477.12787	0.5
479.11319	1.2
480.15588	0.8
491.14590	0.9
492.15707	0.7
495.17838	2.7
505.16940	0.4
509.16092	2.8
513.19116	12.0
523.17480	3.8
540.53253	0.5
541.18262	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	541.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92020	0.8
63.61265	0.6
70.56492	1.7
70.56874	1.3
81.07071	0.9
86.09718	0.8
91.05529	0.7
104.10741	3.9
121.06577	0.8
151.07553	2.9
151.62329	0.8
159.08066	1.1
161.06007	2.9
171.07991	1.1
174.06801	1.6
177.09079	3.9
181.06548	0.9
182.07208	0.8
183.08041	0.9
185.06021	0.8
186.06772	1.7
187.07571	0.7
187.36453	0.6
189.09116	5.0
195.08104	1.1
198.06784	1.2
199.07507	0.7
201.09108	6.0
211.07544	1.0
212.08319	1.3
213.09114	2.8
215.10742	1.0
217.08704	0.8
224.08371	1.6
225.09169	2.0
226.09956	1.3
228.07695	1.4
229.08659	2.2
237.05882	0.7
237.09023	0.9
239.06876	0.7
240.07932	0.9
241.08560	4.0
243.10187	2.8
251.10654	0.9
253.08563	1.2
255.10274	2.5
256.10916	4.7
267.10278	1.1
268.07333	1.1
269.08194	1.0
269.11722	1.8
271.09662	5.0
272.10318	1.1
281.08472	0.8
283.09665	7.8
295.09836	1.2
299.09265	2.8
309.11157	1.6
325.10712	1.6
337.10803	1.3
365.15884	0.8
377.11993	1.5
378.12411	0.9
379.13605	1.0
393.15112	1.7
394.11804	0.9
395.12759	1.2
405.11108	1.1
406.12088	1.4
407.12534	1.2
408.17560	1.4
409.14420	2.8
410.15482	0.9
411.16068	0.9
419.12927	0.8
420.13757	1.4
421.14636	1.7
422.11032	0.8
423.11636	1.0
423.16519	1.1
424.16653	2.4
425.17566	1.1
426.18353	1.3
435.15927	1.3
436.16876	2.0
437.13898	2.4
439.19855	1.3
449.13834	2.1
451.15677	0.9
452.16360	3.4
453.16910	4.3
454.17734	1.6
455.14807	1.7
456.15747	0.9
457.20105	1.4
463.16254	1.5
464.16187	2.3
465.12967	1.5
466.13873	0.7
467.19089	4.2
470.17236	2.5
479.14963	5.4
480.15790	3.5
481.16626	1.9
482.17065	2.8
482.23758	1.7
485.19525	4.5
495.18066	12.1
498.16498	1.0
499.17514	1.0
513.19122	100.0
514.19336	3.2
523.17651	2.2
540.54315	0.8
541.18591	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	541.1863
Annotation	Robustolide K
Peak:m/z	Relative Intensity
61.93011	1.8
67.05493	3.1
70.01398	7.1
79.05499	2.9
81.07071	2.6
87.81032	1.6
91.05490	4.5
95.04986	2.7
95.08539	2.5
103.05487	2.2
105.07056	4.8
107.04968	2.4
109.06567	2.2
112.00945	1.9
117.06994	1.8
119.08566	1.8
121.06510	3.5
121.93874	1.8
129.07010	1.8
133.10094	3.2
137.06094	1.8
145.02866	2.1
145.06499	1.8
151.07564	5.3
161.05995	17.8
168.04140	1.7
171.08061	3.2
175.07591	2.5
177.09088	13.8
185.06126	2.1
186.06757	3.1
188.08429	1.9
189.09105	3.5
201.09108	8.9
201.12387	1.7
211.07584	2.4
212.08366	2.5
213.09221	2.6
225.09216	5.1
228.07883	2.1
241.08626	5.4
243.10239	4.5
251.07111	3.8
253.08597	2.5
255.10220	2.5
269.08167	3.7
271.09766	8.2
279.06628	4.1
279.10092	1.8
319.05954	2.0
348.11560	2.0
359.10983	3.3
360.11609	2.6
361.12598	2.5
370.09488	2.0
370.84836	2.0
371.10971	1.8
373.12329	2.3
376.11023	4.6
377.11801	5.1
378.12256	2.3
387.09698	8.2
388.11038	6.8
389.11911	4.2
390.12863	3.9
391.13428	4.0
399.09967	3.5
401.11804	4.5
402.12631	6.4
403.13544	5.6
404.10403	5.4
405.11151	8.9
406.11847	5.9
409.14505	2.6
415.09122	3.3
415.13892	2.9
416.10486	6.9
417.10477	8.5
417.15588	4.1
419.13052	8.8
420.13531	7.2
421.14355	4.7
424.16757	2.9
429.11261	2.4
430.12122	6.0
431.12973	15.0
432.14233	8.7
433.10733	7.5
434.10648	2.6
434.15631	4.1
435.16168	4.4
436.16696	2.2
437.14169	5.3
441.11441	2.4
445.15054	10.5
446.15561	3.0
447.12213	17.4
448.13071	16.5
449.13818	11.5
452.16174	3.1
453.17242	2.6
458.11847	3.3
459.12244	6.0
460.13278	5.8
461.14563	3.4
462.14719	7.5
463.15591	43.0
464.16373	9.0
465.12302	3.2
465.17618	5.0
467.18900	4.4
473.13763	10.8
474.14624	5.6
475.11670	4.3
476.12439	9.2
477.12216	3.5
477.17178	9.0
479.14862	3.0
480.15793	7.7
481.16525	27.1
482.16953	3.0
487.15454	2.8
488.16315	4.1
489.13528	2.7
490.13983	11.6
491.14932	70.4
492.15869	22.3
493.12839	2.8
495.18140	25.3
505.16550	44.1
506.17273	27.7
507.15005	2.3
508.15033	13.3
509.15918	38.1
513.19238	4.7
523.17560	100.0
541.18585	78.2
542.19202	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	541.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.54174	0.3
57.92907	0.3
61.23432	0.3
67.05504	0.5
69.03438	0.3
70.75836	0.9
79.05482	0.5
81.07034	0.4
89.80528	0.3
91.05475	0.8
93.07030	0.7
95.04991	0.4
101.84455	0.3
103.05463	0.3
105.07036	0.8
107.04947	0.5
119.08575	0.4
131.04897	0.3
131.08591	0.3
145.06389	0.3
152.06239	0.5
153.06998	0.6
155.08556	0.5
159.07986	0.3
165.07048	1.5
167.08557	0.9
168.05725	0.9
169.06474	0.4
172.05312	0.3
181.06555	0.9
182.07310	1.0
183.04419	0.8
183.08060	3.2
184.08662	0.3
185.06023	0.6
186.06851	0.5
187.07549	0.9
188.08345	0.4
193.06479	0.7
194.07314	1.4
195.08058	0.7
196.05168	1.5
197.05960	2.9
197.09653	0.4
198.06761	5.7
199.07571	0.5
200.08334	1.2
201.09114	0.7
210.06787	1.1
211.07552	7.0
212.04942	0.3
212.08319	8.2
213.05511	2.4
214.06334	0.3
215.06981	0.4
215.10681	1.5
223.07526	0.4
224.04666	0.4
225.09113	6.5
226.06273	1.1
226.09792	0.4
227.06944	1.3
228.07846	6.8
229.08617	2.7
235.07674	0.4
239.07053	11.1
240.07938	0.6
241.08607	8.5
242.09367	0.5
243.10191	21.1
253.08640	2.6
255.06584	1.0
255.10135	0.6
256.07303	0.9
257.08139	8.2
269.08151	2.0
270.08838	2.5
271.09665	100.0
272.10446	36.6
272.13617	0.6
343.09756	0.9
410.56213	0.3
451.12137	0.4
465.12830	0.4
478.13821	0.4
481.16989	0.4
509.16022	5.6
513.19202	0.8
523.17133	0.5
541.18597	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	541.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
68.95085	0.8
69.03436	1.3
69.81583	1.7
69.81987	3.5
70.06584	2.1
79.05487	1.9
81.03413	1.7
81.07088	1.2
84.08154	1.2
85.02925	2.0
91.05497	1.3
95.04955	1.6
95.08610	1.6
97.02878	2.1
98.20826	1.4
98.21381	2.3
105.06975	1.5
107.04967	100.0
107.08548	1.3
109.02881	1.4
131.04930	2.7
133.10098	1.0
137.05907	1.1
193.08632	3.1
197.05956	1.2
201.49249	1.0
212.08305	1.7
215.07048	1.1
225.09122	1.5
226.06004	1.3
241.08601	1.1
242.09242	1.8
243.10175	2.9
253.08441	2.7
255.10071	2.2
271.09665	12.4
272.10220	2.1
273.11218	12.4
285.11157	2.9
301.10764	1.3
379.15103	3.0
463.15646	1.0
494.68896	1.0
513.15387	1.5
541.18707	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	541.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31218	0.4
53.03938	0.6
55.01872	0.4
55.05507	1.6
55.42699	0.3
57.03427	0.6
57.07082	2.6
65.03941	0.5
67.05186	0.4
67.05510	5.3
69.07061	1.7
70.06603	2.3
70.06938	0.5
70.77848	0.3
71.08630	1.2
71.51755	0.5
79.05495	5.6
81.07069	4.4
83.04974	0.4
83.08617	1.1
84.59917	0.4
85.10141	0.4
88.07626	2.3
91.05476	4.6
93.07047	5.2
95.04954	1.0
95.08604	2.7
97.10204	0.4
102.09191	2.0
102.09795	0.4
105.07040	2.8
107.08590	1.4
109.10166	0.9
117.07069	0.9
119.08582	2.2
121.09327	0.4
121.10121	1.4
122.56379	0.4
129.06996	0.5
131.08586	0.7
133.10141	0.9
135.11681	0.8
137.91583	0.4
145.10144	0.9
147.11732	2.2
171.11693	1.7
189.12679	0.4
207.13795	1.8
256.26349	3.0
257.26669	0.7
265.86588	0.4
283.26254	1.2
284.29587	1.2
294.50616	0.4
311.29401	3.5
312.29767	1.2
342.87561	0.4
540.53522	5.9
541.33374	100.0
541.53296	6.4
542.33856	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.9
53.03945	9.7
55.01865	3.6
55.05515	26.4
57.03431	3.9
57.07080	11.7
61.83416	0.8
65.03943	5.2
67.05507	83.3
69.07069	18.8
70.06588	6.4
71.04993	3.3
71.08633	5.6
73.02923	1.1
73.06544	2.5
77.03940	3.0
79.05496	100.0
81.03423	8.1
81.07059	70.1
81.07767	1.2
83.04990	12.5
83.08619	10.6
85.06546	2.7
85.10165	2.0
88.07632	9.3
89.07954	1.0
91.05485	74.6
93.07047	93.0
94.07388	1.3
95.04971	20.3
95.08610	48.8
97.06521	5.6
97.10177	3.8
99.08107	2.2
102.09176	7.3
103.05468	2.1
105.04547	4.3
105.07032	50.9
107.04324	1.1
107.04948	5.2
107.08600	29.5
107.09312	1.9
109.02888	1.2
109.06526	6.0
109.10162	13.4
111.08088	2.4
115.05452	1.1
117.07019	14.0
119.08583	32.0
121.06523	1.9
121.10145	23.1
123.08066	6.3
123.11742	2.3
124.73412	0.8
127.03925	1.9
127.07609	1.1
128.06215	5.1
129.07010	14.2
130.07841	0.8
131.08582	14.7
133.10129	16.8
135.08080	1.1
135.11691	12.9
137.09587	1.3
141.07054	1.4
142.07779	1.2
142.64633	1.0
143.08557	10.0
145.10127	15.1
147.08025	1.9
147.11694	33.1
149.13272	4.7
151.11209	1.1
155.08594	3.2
156.09363	0.9
157.10156	3.5
159.11694	5.8
161.09668	3.9
161.13266	13.3
163.14781	1.4
169.10146	2.0
171.11693	25.6
173.13228	4.2
175.14850	2.4
181.10103	1.5
182.22174	0.9
183.11754	2.7
185.13284	1.8
187.14886	1.5
189.12764	7.9
193.10196	1.0
197.13358	1.3
199.14864	1.9
207.13815	27.0
209.13269	1.4
225.14792	1.9
243.21204	1.7
256.26376	12.3
257.26718	6.0
261.22214	5.4
274.27368	1.1
281.17474	1.7
283.26172	4.1
284.26660	1.9
284.29520	3.5
285.29898	3.0
311.29495	11.3
312.29739	9.3
317.24924	1.6
449.34344	3.5
467.35431	1.6
523.37744	2.2
540.53558	10.7
541.38995	78.5
541.53650	40.7
542.39252	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.7
51.02378	2.7
53.03952	10.4
55.01859	2.8
55.05517	27.0
57.03428	4.2
57.07082	9.6
65.03950	6.3
67.05509	86.3
69.03463	2.3
69.07074	22.6
70.06596	5.3
71.05003	3.1
71.08630	4.8
73.06557	2.3
77.03944	2.7
79.05495	100.0
81.03404	9.1
81.07059	71.9
83.04987	11.5
83.08621	12.3
85.06573	4.6
87.04486	2.3
87.88320	1.4
88.07633	8.9
91.05487	78.8
91.63180	1.3
93.07047	91.9
95.04968	20.4
95.05497	1.9
95.08613	45.1
96.39330	1.2
97.06551	5.4
97.10185	6.0
98.20727	2.7
99.08130	1.9
102.09203	5.8
105.04545	5.3
105.07032	51.4
107.04971	4.6
107.08598	31.5
109.06554	6.9
109.10167	14.3
111.08084	2.0
115.05482	4.1
117.07030	16.0
119.08584	31.8
119.09364	2.4
121.06544	3.3
121.10141	23.1
123.08079	6.3
123.11732	2.8
128.06253	4.2
129.07007	16.8
130.07790	2.1
131.08574	17.8
131.09425	1.9
133.10150	15.6
135.11720	13.2
137.09642	1.7
143.08563	12.1
145.10127	18.7
147.08054	2.7
147.11696	32.3
147.12799	2.3
149.13254	6.3
155.08612	3.2
157.10080	6.4
159.11717	9.3
161.09619	3.3
161.13266	14.2
163.14853	2.3
169.10196	5.4
171.11696	30.0
173.13298	4.3
179.14381	1.7
181.10173	2.2
183.11755	3.9
185.13338	3.1
187.14853	2.7
189.12759	11.6
191.59029	1.3
197.13303	2.5
199.14902	1.9
207.13795	26.6
209.13251	1.6
211.14888	2.6
223.14983	2.0
225.14856	2.3
243.21135	1.9
251.00877	1.3
256.26364	12.6
257.26657	6.6
261.22165	6.8
263.18015	1.5
264.84103	1.5
274.27371	1.7
281.17590	1.9
283.26422	3.0
284.29630	2.2
285.29953	1.7
311.29379	9.9
312.29697	8.5
317.24771	3.3
431.33401	1.8
449.34460	4.3
467.35501	3.3
523.38269	4.3
540.53601	12.0
541.39111	96.2
541.53619	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	542.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04845	1.3
79.05519	1.0
91.05474	1.7
93.07057	1.1
100.45054	0.4
103.05470	7.4
107.04977	1.4
119.04922	1.1
120.08111	100.0
121.08423	0.9
127.03973	0.5
131.04942	2.7
135.04468	0.8
137.05974	1.1
139.28957	0.4
147.04417	2.1
149.05998	3.0
157.05363	0.4
166.08647	48.8
167.07022	1.4
172.55464	0.4
175.47153	0.3
179.07065	2.2
271.09714	0.5
380.59094	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01875	10.9
56.05036	1.1
57.07080	8.3
59.05026	1.7
59.05434	1.1
67.05519	6.4
69.03442	6.3
69.07072	9.1
70.02956	8.2
70.06594	3.1
70.65981	1.8
70.66299	1.9
71.04982	1.6
72.04518	24.2
72.04893	1.9
72.73046	1.0
73.02924	12.8
73.36700	1.1
81.03423	21.2
81.03877	2.5
82.85006	1.1
83.04982	8.0
84.08128	2.2
85.02924	7.1
85.06541	8.9
86.09695	4.9
87.08122	2.5
90.05563	32.4
91.05489	13.4
92.50959	1.2
95.04971	8.1
96.08160	3.9
97.02892	8.7
98.01838	1.8
98.02423	21.1
98.20758	1.5
99.04460	4.2
100.03980	7.6
103.03932	1.5
103.07572	3.1
107.04934	1.3
109.02891	27.8
113.05999	7.3
116.03461	16.2
118.05018	1.4
119.04970	12.9
121.73341	1.4
124.07594	26.0
127.03908	10.7
132.06575	9.8
133.06477	3.5
138.05524	3.0
138.99022	1.1
139.03915	1.5
142.08638	20.7
142.27779	1.1
142.89212	1.1
145.04987	7.1
147.04428	49.0
148.04704	1.2
160.09735	6.0
161.06000	1.9
166.08667	4.2
167.08316	1.4
172.09749	6.8
174.11301	5.8
179.07048	18.7
181.04964	3.4
184.09718	36.2
184.11382	1.9
187.05992	1.8
189.26259	1.3
193.08658	1.7
198.07663	4.9
199.06024	3.4
200.09230	1.2
202.10759	100.0
203.11414	1.7
211.09653	10.8
216.08691	4.0
216.18303	1.2
217.07109	4.0
220.11810	17.9
220.13792	1.4
226.10789	2.0
230.10210	10.5
234.09668	9.6
242.77747	1.2
244.11794	2.2
258.08896	1.5
262.12845	13.1
269.08115	2.0
274.42999	1.4
292.11697	1.5
310.12762	9.3
328.13950	33.2
346.15048	6.8
364.16068	10.3
479.07443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
57.03440	0.6
69.03430	1.7
69.86166	2.2
70.06601	4.4
72.08140	1.8
79.05498	0.9
81.03418	0.6
81.07051	0.7
81.54682	0.5
82.63217	0.6
84.04483	1.1
84.08145	1.9
85.02920	4.3
86.09696	2.2
91.05477	2.4
93.07038	0.8
94.04175	1.8
97.02887	1.7
98.02455	0.6
103.05475	6.2
105.07040	3.2
107.04946	1.5
109.02907	0.8
110.07167	1.8
117.07011	0.7
119.04937	1.1
121.06496	2.2
122.03634	6.0
129.10228	0.8
131.04935	6.8
133.05496	0.9
133.06502	16.8
135.08046	5.4
137.05984	100.0
138.06345	0.8
143.04944	0.8
143.08627	1.0
145.04944	0.8
145.06479	2.7
147.04393	1.3
147.08020	1.5
149.05966	1.4
151.03835	0.9
151.07581	5.4
157.06540	1.1
160.05211	0.8
163.07552	29.4
171.08002	1.8
174.06760	0.8
175.07568	2.1
177.09138	0.8
179.03419	0.7
179.07147	0.8
183.13728	0.6
187.07524	1.1
189.09129	2.7
196.04834	0.6
203.10680	4.5
211.09637	0.7
235.11154	0.7
245.09644	0.9
263.10745	1.1
295.13358	14.4
327.15912	21.8
345.17023	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
54.03799	1.7
55.01880	2.5
55.05502	3.4
57.03431	7.1
61.02940	3.5
64.47515	1.4
65.41321	1.4
68.99800	2.9
69.03140	1.6
69.03436	17.3
70.06603	2.9
70.76397	4.5
71.01344	3.8
71.04999	39.6
73.02916	3.7
75.91209	1.4
81.03426	18.0
83.04984	15.9
85.02912	100.0
87.00835	22.9
91.05456	1.8
95.04974	2.2
97.02902	14.7
99.04465	7.7
103.03957	5.5
105.01869	32.8
107.04922	2.2
109.02885	21.4
111.04445	16.0
113.06009	2.8
121.34534	1.6
125.02364	3.6
127.03931	39.8
129.01860	1.8
129.05505	17.0
135.04420	2.1
137.06082	1.6
139.03844	1.8
145.04933	10.0
147.02916	3.0
147.06523	9.9
159.02934	2.8
164.09225	5.3
173.04521	1.7
188.10707	1.8
189.03926	8.4
213.03949	6.8
213.07579	2.0
219.06627	1.7
231.04968	9.6
237.07573	8.6
249.06110	6.2
255.08643	5.3
273.06116	3.0
315.10760	2.4
330.86945	1.7
341.08768	5.1
359.09866	4.1
377.10596	2.8
441.95779	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21185	0.9
55.05510	2.1
57.07080	37.4
69.07068	3.6
69.59393	1.9
69.59796	4.1
71.08637	27.4
72.29895	0.8
72.85820	0.9
73.06557	5.5
81.07060	1.6
83.08633	1.9
85.10192	19.6
87.04469	4.8
89.06037	100.0
91.05524	1.1
91.07642	1.3
93.07021	1.5
97.10189	3.9
99.11754	3.4
107.07078	2.1
110.79692	0.9
113.13289	1.0
116.85926	0.9
117.09137	4.4
130.08604	1.7
131.07028	0.8
133.08617	47.1
148.32486	0.8
155.17932	5.3
161.11754	1.3
170.66624	0.9
177.11224	17.3
177.12691	1.2
199.20625	3.3
221.13875	3.0
239.14865	1.0
243.23245	8.3
250.74359	1.0
283.17508	1.4
287.25830	3.4
309.18857	0.9
327.20059	1.0
371.22824	4.4
463.60129	0.9
525.40161	5.7
542.41229	1.0
542.54047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94568	2.6
81.24069	0.7
97.16145	0.7
98.97565	0.7
109.02975	0.7
130.00272	1.0
136.00291	0.7
151.00757	1.1
175.02765	0.8
177.85641	0.7
181.01881	2.1
181.10291	0.7
201.00771	1.5
211.02777	1.1
232.03476	2.8
247.04988	3.3
259.58099	0.8
261.03131	0.8
291.04236	1.2
292.05563	1.4
363.06693	2.5
381.07935	17.8
543.13257	100.0
544.13428	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	543.2017
Annotation	Briaexcavatin T
Peak:m/z	Relative Intensity
55.01878	1.0
69.37354	6.2
71.40504	0.7
77.25703	0.7
79.05511	1.5
81.07043	1.5
91.05489	2.3
93.07048	1.4
98.20759	1.3
103.05475	0.8
105.07072	1.7
107.04964	1.2
107.08597	0.8
110.09647	0.8
119.08633	0.7
121.06550	1.2
122.05267	0.7
124.37309	0.8
125.90691	0.8
131.08545	1.6
131.73730	0.8
133.10077	0.9
145.06464	1.1
151.07619	2.2
152.06432	0.7
153.07021	0.9
158.07359	1.1
159.08029	1.0
161.05983	13.4
165.07048	2.3
168.05780	0.8
171.08125	1.3
174.06766	0.9
175.07561	1.6
177.09103	3.8
181.06657	1.0
182.07314	3.4
183.08061	1.5
185.06026	2.3
186.06821	2.1
187.07472	1.1
188.08330	1.8
189.09167	1.9
193.06465	1.4
194.07286	2.6
195.08034	1.6
197.06036	1.9
198.06821	1.7
199.07556	2.0
200.08347	1.2
201.09076	6.2
210.06731	1.7
211.07549	6.0
212.08315	6.4
213.05481	1.3
213.09061	2.3
215.07037	1.5
215.10716	1.7
217.08691	1.4
221.09567	1.0
223.07578	1.6
224.08275	1.7
225.09111	14.4
226.06258	1.2
226.09810	2.1
227.10635	1.7
228.07867	4.1
229.08591	1.4
235.07588	1.7
235.70134	0.7
238.09831	0.8
239.07031	2.5
240.07701	0.9
241.08569	3.8
243.10152	12.0
249.09181	1.3
251.10870	1.6
253.08603	4.9
254.09409	1.5
255.06602	0.9
255.10114	1.7
257.08148	1.1
269.08167	1.3
271.09677	28.1
272.10370	4.9
277.08746	1.1
294.08902	1.0
309.11377	2.1
343.10123	0.7
345.12140	1.1
349.12244	0.8
361.12164	2.0
362.12982	1.1
374.12866	1.2
375.10068	2.2
375.14151	1.0
376.10794	1.0
377.15414	1.0
378.12469	1.1
379.13144	1.6
388.10815	2.0
389.11758	2.9
390.12476	3.7
391.13345	1.4
393.10849	1.3
395.16592	1.3
401.11615	2.5
402.12769	1.2
403.09198	1.6
403.13791	1.7
404.14307	1.8
405.14801	2.5
406.11993	3.0
407.12802	2.2
408.13046	1.0
415.13455	1.1
417.10809	3.7
418.12027	4.3
419.12851	3.2
420.13623	1.3
421.14539	4.0
422.14798	2.1
423.15967	1.3
424.12732	1.0
431.12778	2.8
432.13812	4.3
433.14471	9.9
434.10812	1.5
434.15659	2.1
435.12225	2.7
436.17166	1.7
437.17728	1.8
438.18143	1.1
439.15308	1.4
443.12750	0.9
444.14209	1.0
446.10880	1.8
447.16754	4.1
448.17038	8.1
449.13614	6.6
450.14160	3.7
451.15051	2.6
454.17654	1.9
459.12167	1.2
460.13101	4.0
461.13791	5.8
462.14722	6.6
463.16208	1.6
464.16428	7.3
465.17026	15.9
466.17676	4.7
467.15329	2.1
469.19946	1.8
474.14673	1.8
475.15823	4.8
476.16266	9.4
477.13153	5.0
478.13806	4.7
479.19238	9.9
482.17044	3.1
483.18176	1.3
489.17139	1.7
490.17737	7.3
491.15057	1.9
492.15698	9.6
493.16476	32.3
494.17322	12.3
495.14471	1.5
497.19681	21.7
507.18094	40.9
508.18576	2.6
510.16718	5.9
511.17371	3.5
512.18420	2.2
525.19116	50.2
526.19427	2.4
528.17743	1.5
543.20105	100.0
544.20459	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	543.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.6
55.01865	3.7
55.05498	7.6
56.69271	2.0
57.03437	3.3
57.07075	5.6
65.03926	3.8
66.34718	2.0
67.05515	21.8
69.03432	5.0
69.07067	17.2
70.06586	11.1
71.01334	2.3
71.06947	2.4
71.08620	2.3
79.05489	37.8
81.03429	3.5
81.07059	100.0
83.04968	7.3
83.08620	5.6
85.06522	3.1
88.07624	10.9
89.03911	7.8
91.05470	29.3
93.07040	31.0
95.04953	4.3
95.08610	15.5
96.56234	2.2
96.91148	2.1
97.06538	5.8
98.02940	2.1
102.09186	6.3
103.09585	3.5
105.03371	9.2
105.07028	39.3
107.04935	3.2
107.08589	23.9
109.06523	48.5
109.10152	7.0
111.08081	3.8
114.89899	2.3
117.03368	13.9
117.07022	13.2
119.07800	3.8
119.08587	33.7
121.06526	5.3
121.10138	14.8
123.08112	5.4
123.99861	2.2
129.06990	9.5
131.08609	23.0
133.06456	5.9
133.10133	31.9
134.12653	2.7
135.08047	18.6
135.11671	11.5
137.09628	3.9
141.07004	6.4
142.03362	2.3
142.07767	7.5
143.08577	20.4
144.09328	4.4
145.02838	29.5
145.10120	40.8
147.08054	6.0
147.11697	17.4
149.02325	5.5
149.06003	28.3
149.09613	16.1
150.06302	10.5
151.07527	3.2
151.11206	3.7
153.07039	2.6
154.07793	2.7
155.08545	12.0
156.09357	4.2
157.10132	40.7
159.10315	3.0
159.11685	39.6
161.09593	16.6
161.13278	7.4
163.11177	7.9
167.08533	4.4
168.09302	3.5
169.10153	16.2
170.10931	2.5
171.11676	21.9
173.09642	8.7
173.13240	21.0
175.11179	5.3
175.14789	5.3
177.05469	67.5
179.08571	3.5
179.10619	5.0
181.10109	7.3
182.10910	4.1
183.11731	16.6
185.09598	3.6
185.13313	15.6
187.11197	6.5
187.14824	8.8
189.08955	2.9
189.12805	6.4
191.10628	4.6
193.04890	6.7
193.10167	9.1
193.12221	5.1
195.11717	12.4
196.12474	3.0
197.13258	12.2
198.07324	2.3
199.11156	7.9
199.14874	11.3
201.12738	13.9
201.16353	10.7
203.14226	4.8
205.10318	3.4
205.12233	6.2
206.10951	3.0
207.11691	9.4
209.13275	8.3
210.14143	2.4
211.11200	2.9
211.14856	6.5
213.12756	2.9
213.16394	3.6
215.14348	6.0
215.17903	6.2
217.15881	3.7
219.11758	2.7
219.13806	3.7
220.12399	2.9
221.13258	8.0
223.14818	7.0
225.12758	4.0
225.16377	7.5
227.14326	5.4
228.23190	14.7
229.23570	13.0
231.13817	3.6
233.13289	5.4
233.15404	4.7
235.14806	5.4
237.16342	3.7
239.17957	4.4
241.15932	3.3
243.10173	4.1
243.13814	5.0
243.17336	15.5
245.15396	10.5
247.14960	4.3
249.16328	6.0
253.15775	2.5
255.17625	3.0
257.19086	4.2
259.17056	3.6
261.16260	4.2
261.18707	4.2
263.17834	5.4
265.15924	3.6
265.19461	4.6
267.17447	4.7
273.16318	2.5
281.18948	4.7
283.17303	2.3
285.18500	8.7
291.17780	2.7
293.18997	3.9
295.17056	2.8
297.07541	3.4
298.07928	3.4
303.19562	9.8
307.20639	5.6
309.18585	6.1
309.22113	18.3
311.19955	3.3
323.20084	4.0
323.23694	7.9
325.21664	6.6
333.22021	5.4
335.19946	3.8
341.10208	11.7
342.10553	18.3
347.23599	3.0
351.23087	19.9
365.24771	7.4
369.24155	12.7
375.23169	5.0
393.24283	12.9
402.25827	2.5
411.25293	34.1
423.28830	3.5
465.29767	3.1
471.27444	88.2
472.27692	4.0
525.34576	2.6
543.30981	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	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.8
53.03947	5.4
55.01871	3.5
55.05267	1.2
55.05515	16.4
57.03428	3.0
57.07073	2.3
65.03939	2.6
67.05507	34.6
69.03423	2.0
69.07076	9.9
69.56815	3.3
69.57231	1.7
71.04999	3.7
77.03939	1.5
79.05497	46.8
81.03414	3.1
81.07060	35.6
82.22301	1.0
83.04976	4.8
83.08619	7.9
85.06573	0.8
91.05486	20.5
91.06023	1.4
93.07049	60.6
95.04972	8.4
95.08611	47.2
97.02899	3.4
97.06522	4.9
97.10152	2.0
99.04465	4.1
103.05479	1.2
105.04510	1.9
105.07034	18.4
107.04968	8.5
107.07874	1.7
107.08601	36.0
109.06532	2.7
109.10160	8.2
111.04428	1.0
111.08064	0.9
117.07026	11.1
119.08584	13.7
121.06490	6.3
121.10146	20.8
123.11716	1.5
125.06010	3.0
129.06998	1.6
130.07784	3.0
131.08559	7.5
133.10126	7.6
135.08076	2.2
135.11699	44.0
139.07561	1.7
143.08575	1.9
145.10129	28.7
147.11711	2.8
149.13260	3.8
157.10101	1.0
159.11714	3.5
161.13307	2.8
163.11186	51.4
163.14818	1.6
171.11646	1.3
173.09650	1.1
173.13301	2.6
181.12250	13.0
181.60060	0.8
182.47652	0.8
187.14848	1.8
209.11768	2.1
210.01828	0.8
227.12788	100.0
228.13171	1.1
235.74591	0.8
243.21153	1.8
261.22131	7.5
275.20062	1.0
288.85535	0.7
317.24820	2.5
454.86462	0.8
507.42725	0.9
542.53552	0.8
543.36841	52.9
544.37335	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.8
53.60643	1.9
55.01875	14.8
55.05276	2.3
55.05520	31.7
57.03442	4.5
57.16440	1.7
65.03950	4.7
67.05508	82.3
69.03422	4.4
69.07069	37.3
69.56555	12.5
71.05002	5.9
73.63702	2.0
79.05499	82.5
81.03419	7.9
81.07061	95.7
83.04993	13.3
83.08624	15.7
85.06533	3.1
91.05485	66.4
93.07047	100.0
95.01336	6.0
95.04996	18.4
95.08611	63.2
97.02907	4.8
97.06547	26.4
97.10175	4.5
97.29160	2.2
99.04502	2.0
99.08154	2.0
103.05535	3.6
105.04508	2.9
105.06319	3.0
105.07036	57.3
107.04965	19.3
107.08601	57.5
109.06542	11.8
109.10170	14.2
111.08092	6.3
115.05470	2.3
117.07015	23.7
119.08589	37.9
119.09367	3.2
121.06519	8.2
121.10151	33.1
123.08115	3.3
123.11714	3.5
125.09654	2.1
129.07005	6.1
130.07829	3.0
131.08577	27.4
133.06561	2.5
133.10149	36.3
134.28996	1.8
135.08119	3.5
135.11697	45.9
139.07602	2.8
141.07034	2.4
143.08571	6.0
145.10126	34.4
147.11714	19.0
149.09634	7.1
149.13298	13.7
151.07535	3.1
151.11148	2.1
157.10170	6.2
159.11693	14.8
161.13300	7.6
163.11211	46.5
163.14822	2.4
171.11598	2.8
173.13310	6.7
175.11232	2.0
177.12718	4.8
179.14288	10.3
181.12271	9.9
185.13376	4.1
209.11664	2.9
219.17506	7.4
227.10536	4.5
227.12791	84.6
244.04599	1.9
252.22095	1.9
257.19080	5.7
261.22238	4.7
275.20081	63.2
293.21033	3.5
310.20987	2.1
317.24728	1.9
495.77710	2.1
525.35706	3.9
543.36865	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	0.8
53.03896	3.3
53.04130	1.0
53.20180	0.7
55.01824	2.2
55.05508	13.4
55.53845	0.6
57.03382	2.4
57.07042	1.3
65.03887	3.3
67.05505	31.7
67.05836	1.4
69.03379	1.2
69.07067	10.1
70.19496	3.2
71.04939	2.6
73.02879	1.0
74.55951	0.7
77.03890	0.8
79.05495	42.4
79.05921	1.8
81.03389	0.9
81.07056	35.5
83.04984	3.8
83.08619	7.6
85.06521	1.0
91.05483	20.0
93.07047	52.2
95.04960	7.8
95.08608	39.1
97.02828	2.0
97.06534	3.8
97.10147	1.4
99.04408	2.2
103.05417	1.0
105.04473	1.7
105.07027	14.3
107.04957	7.0
107.08596	31.4
109.06472	2.0
109.10145	6.2
111.04424	1.1
111.08044	1.5
113.05997	0.8
115.05422	1.0
117.07015	10.0
119.07824	1.0
119.08587	15.2
121.06495	4.4
121.10140	19.3
123.11668	0.9
125.05940	2.1
130.07739	2.1
131.08533	4.4
133.10135	4.6
135.07996	2.1
135.11696	44.5
139.07457	1.3
143.08484	1.2
145.10121	24.2
147.11641	2.8
149.13280	4.7
159.11641	2.2
161.13161	1.6
163.11182	49.4
163.14815	1.4
173.13255	2.3
181.12239	14.4
209.11740	2.6
227.12781	100.0
228.13173	1.2
243.20905	0.9
261.22122	6.0
317.24857	1.9
543.36798	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	7.9
55.05518	19.7
57.07067	9.4
67.05518	37.4
69.07071	29.9
71.04996	18.1
71.51365	4.2
79.05097	5.6
79.05500	30.4
81.07063	100.0
83.08626	15.4
91.05485	30.7
93.07048	78.7
94.06461	4.0
95.04987	5.6
95.08614	93.5
97.06538	5.2
97.10166	7.1
102.73423	3.8
105.07037	55.4
107.08602	69.8
109.06461	4.5
109.10160	53.6
111.08098	11.3
113.09639	5.9
116.42055	4.9
117.07027	9.9
119.07785	6.8
119.08588	55.3
121.10163	60.9
123.11724	27.1
129.06978	4.6
131.08597	24.5
133.10130	35.5
135.11734	28.6
137.13234	8.3
143.08568	10.3
145.10153	40.1
147.11696	35.2
149.13289	22.7
155.08527	9.7
156.09286	5.1
157.10168	20.4
159.11705	46.6
161.13281	33.9
163.14822	18.1
169.10229	11.8
171.11743	23.3
173.13281	32.7
175.14886	19.1
177.16400	10.0
183.11690	13.9
185.13251	18.3
187.14842	23.3
189.16409	8.5
191.18024	5.9
197.13303	12.4
199.14833	15.2
201.16412	14.6
203.18027	9.3
209.13358	9.4
211.14839	11.1
213.16440	15.9
215.18001	17.1
217.19539	5.9
223.14900	6.9
225.16443	6.7
227.17928	9.9
229.19496	7.6
239.17987	6.0
241.19649	7.1
243.21141	7.7
243.29463	3.9
253.19577	6.6
255.20964	8.5
262.25333	8.6
265.19443	6.4
269.22665	11.2
281.22537	6.2
282.72650	4.1
283.24216	11.0
294.80533	4.4
297.37219	4.5
325.29031	7.0
365.31989	5.6
525.44257	5.5
543.45685	89.2
559.24854	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	543.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.9
53.65218	4.3
55.05518	31.8
61.75665	4.8
67.05509	47.4
69.07068	31.7
71.04997	13.6
71.51587	8.0
79.05502	40.9
81.07066	100.0
83.08622	20.1
91.05478	35.9
93.07047	78.1
95.04983	5.0
95.08018	3.2
95.08618	91.4
97.10207	7.3
105.07044	72.0
107.08614	62.9
108.30593	4.3
108.34411	4.4
108.40402	3.7
109.10167	48.8
111.08128	9.7
117.07026	9.1
119.08577	43.8
121.10159	52.4
123.11716	23.4
125.09637	4.4
131.08594	25.0
131.09406	4.0
133.10149	43.4
135.11710	24.8
137.09654	5.0
137.13300	8.7
143.08604	14.6
145.10158	39.0
147.11699	38.0
149.13268	31.3
155.08499	5.3
156.09418	4.7
157.10132	23.8
159.11700	41.2
161.13271	33.1
163.14796	20.8
169.10170	9.9
171.11674	21.9
173.13237	28.3
175.14801	13.8
177.16426	7.0
183.11717	10.3
185.13239	9.9
187.14809	22.3
189.16389	11.5
191.17926	4.8
197.13303	6.5
198.31415	4.1
199.14838	18.4
201.16423	17.3
203.18028	8.5
209.13251	4.7
211.14845	8.7
213.16412	20.0
215.17934	13.9
223.14798	5.1
225.16444	7.9
227.17909	9.1
229.19618	12.0
237.16272	5.1
239.18001	5.8
241.19478	6.1
253.19565	6.2
255.21107	5.7
257.22656	9.0
267.21106	4.6
269.22879	6.3
283.24210	8.1
293.22794	5.0
293.26422	4.0
294.26578	3.8
297.25717	5.3
309.56711	4.2
325.28922	5.0
470.72424	4.0
537.87976	4.3
543.46234	71.6
543.54504	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	543.493
Annotation	all-trans-Phytofluene
Peak:m/z	Relative Intensity
53.03926	4.3
53.32976	2.5
54.83319	2.3
55.05515	18.1
57.07063	9.0
59.48561	2.6
65.03911	4.0
65.06041	2.1
67.05511	35.9
69.06731	3.6
69.07074	41.8
71.08635	3.7
71.51681	2.8
79.05498	25.4
81.06593	5.7
81.07062	100.0
83.08640	14.0
91.05494	18.3
93.07053	42.5
95.08607	78.6
95.09180	5.3
97.06564	2.4
97.10162	7.3
105.07027	30.4
107.08595	45.4
109.06532	2.7
109.10162	53.4
111.11742	4.0
117.07019	6.1
119.08587	33.4
121.10155	38.3
123.11718	22.1
129.06998	7.4
131.08580	15.6
133.10139	22.3
135.11682	25.1
137.13268	8.0
143.08563	7.3
145.10129	24.9
147.11703	20.7
149.13252	20.5
151.07556	4.2
151.14799	3.8
155.65076	2.7
157.10159	9.9
159.11684	25.1
161.13266	23.7
163.14778	15.1
169.10107	3.8
171.11673	11.6
173.13261	17.3
175.14861	15.5
177.16368	7.1
183.11688	4.8
185.13251	7.0
187.14786	14.2
189.16412	10.8
190.58426	2.6
191.17998	6.8
197.13312	5.4
199.14850	6.3
201.16402	10.2
203.17952	6.3
211.14827	3.9
213.16409	9.5
215.17982	6.4
217.19467	7.7
225.16379	3.0
227.17955	5.8
229.19667	5.7
231.20988	3.1
241.19513	4.8
255.21048	3.4
257.22662	4.7
267.21106	2.8
269.22659	5.5
281.22726	3.2
283.24274	3.3
304.33688	3.1
323.27069	2.8
325.28949	2.7
348.89160	2.6
365.31857	3.7
461.41663	3.4
543.36584	11.7
543.48975	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4932
Annotation	all-trans-Phytofluene
Peak:m/z	Relative Intensity
50.71359	4.9
55.05493	14.0
55.73263	4.9
57.07064	9.8
67.05516	34.5
69.07074	38.8
79.05502	21.7
81.07061	98.1
83.08611	13.5
84.61518	4.6
91.05479	18.9
93.07055	34.0
95.08615	81.3
97.10154	11.1
97.37368	4.2
98.21555	7.4
105.07034	36.0
107.08605	58.5
109.09484	6.4
109.10168	70.1
111.11711	4.6
119.08597	51.5
121.10153	36.1
123.11697	31.0
131.08604	12.1
133.10112	20.3
135.11685	34.1
137.13251	17.8
143.08551	7.5
145.10080	24.5
147.11719	28.0
149.13271	26.4
153.92064	4.5
157.10139	5.8
159.11671	23.0
161.13278	29.1
163.14830	12.3
171.11757	9.8
173.13272	18.0
175.14856	19.6
177.16379	8.3
183.11623	4.2
185.13293	6.6
187.14790	16.5
189.16364	9.8
192.24155	4.5
197.13263	4.1
199.14883	10.4
201.16345	10.1
203.18045	10.0
205.19513	5.8
212.87814	4.8
213.16319	6.7
215.17955	10.8
217.19527	7.7
227.18027	8.3
229.19540	8.6
243.21144	6.4
253.19556	4.9
255.21204	6.1
269.22876	6.8
487.43115	5.1
543.41388	9.3
543.49091	100.0
543.56592	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	544.4
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	12.6
57.07064	4.5
59.26922	2.4
63.44173	2.5
63.85659	2.5
67.05507	25.8
69.03436	44.2
69.07080	17.6
71.04973	5.2
71.52086	4.0
73.06551	3.2
79.05502	15.8
81.07057	36.7
83.04980	6.3
83.08604	13.1
91.05477	12.3
93.07055	26.1
93.80007	2.8
95.04977	42.4
95.08611	38.8
97.06532	9.5
97.10177	4.3
97.28654	2.8
99.08090	6.0
105.07040	28.9
107.04935	8.1
107.08607	34.0
107.77239	2.6
109.06540	4.3
109.10152	24.7
111.08047	5.7
117.07044	6.2
119.08606	35.3
121.10143	29.1
121.30662	2.5
123.08105	12.3
123.11721	16.4
125.09645	7.7
126.05461	2.7
131.08586	19.0
133.10149	24.2
135.08046	8.0
135.11702	11.4
137.09572	6.6
137.13261	3.6
139.11232	4.3
141.09119	3.2
143.08557	14.7
145.10126	23.4
147.11688	15.7
149.09714	3.1
149.13271	6.6
151.11150	5.4
155.08568	6.1
157.10124	17.2
159.11703	23.6
161.09618	4.4
161.13269	33.2
163.11179	3.7
165.12817	5.0
169.10129	8.7
171.11684	16.0
173.13254	17.2
175.11191	3.8
175.14841	8.8
177.12726	4.5
182.62617	2.6
183.11679	10.2
185.13278	16.3
187.14804	12.5
189.16457	4.6
195.11790	5.8
197.13293	10.8
199.14835	11.4
201.16406	11.0
203.14340	5.7
207.11737	3.9
209.13274	7.4
210.13814	3.2
211.14799	6.8
213.16434	9.8
215.14330	3.7
215.17963	3.8
223.14824	5.4
225.16389	9.6
227.17815	12.4
229.15868	5.4
231.17506	7.0
235.14709	2.8
237.16324	3.3
239.17924	4.2
243.17444	4.7
245.19009	17.3
250.17358	2.8
253.19417	4.0
257.19046	7.1
259.20645	6.9
271.20645	5.0
279.20886	3.9
283.20654	7.0
285.18420	2.9
285.22156	4.6
293.19052	3.0
295.20923	4.6
295.24222	16.9
309.22287	4.5
311.23672	20.7
313.25229	60.7
321.22150	2.8
337.25204	12.1
339.26877	7.5
351.26614	3.9
363.26993	17.8
381.27911	100.0
381.32822	5.5
382.28040	3.7
383.28864	3.0
412.32025	8.3
417.31378	4.3
425.34128	7.3
435.32449	11.3
444.55933	2.7
453.33633	17.0
481.79150	3.1
484.37848	9.8
544.40735	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	545.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.3
55.05513	3.6
57.03240	1.4
57.03441	16.3
60.27108	1.9
61.02948	1.8
69.03438	11.3
70.06613	2.8
70.25410	7.0
71.01355	1.9
71.05002	74.3
73.02929	3.7
75.04461	4.6
81.03430	4.2
81.07039	3.2
83.05000	12.2
85.02913	100.0
85.40690	1.7
87.04469	3.3
87.54321	1.8
97.02893	6.5
99.04452	2.1
111.04430	10.0
127.03951	3.1
129.05464	16.3
147.06548	2.4
158.88791	1.8
161.05991	30.0
194.07248	2.1
209.09660	3.5
219.08142	2.3
223.07591	2.0
225.09151	3.0
227.10803	2.5
233.09554	2.2
235.07585	4.0
237.09062	7.3
238.10181	2.4
239.07021	4.8
239.10683	4.3
240.07813	2.3
241.08571	2.6
248.08388	2.3
249.09207	3.0
251.06943	2.8
251.10652	4.3
252.07741	2.7
253.08656	5.1
254.09409	3.9
255.10231	2.4
257.07965	1.9
261.09171	4.6
262.09912	3.0
263.07251	2.3
263.10687	3.4
264.07697	2.3
264.11417	3.2
265.08548	2.3
265.12296	4.1
265.60001	1.9
266.09381	13.2
267.06689	3.7
267.10138	8.0
269.08127	7.2
270.08835	5.9
271.09702	8.1
272.10522	11.4
273.08917	3.5
275.10770	4.9
276.11697	2.6
277.08554	4.1
278.09415	4.7
279.10205	7.4
279.13766	4.2
281.08109	9.1
281.11731	9.0
281.96182	1.9
282.08798	9.9
283.09729	7.7
285.11276	38.0
289.08734	3.7
290.09390	3.7
291.07062	2.3
291.10068	9.2
291.13824	1.9
292.10953	4.6
293.08102	6.8
293.11710	13.2
294.08923	5.7
295.09769	5.2
297.11218	11.7
302.09344	4.4
303.10208	4.7
304.10941	4.6
305.08273	4.7
305.11700	5.7
307.09622	5.0
307.13297	6.5
308.10342	2.9
309.11313	18.7
311.12747	4.0
317.11679	4.8
319.09723	2.9
321.11240	18.4
322.12061	5.2
323.12817	5.4
325.10742	23.9
327.12323	7.7
328.10773	2.2
332.10544	2.2
333.11194	3.3
335.12683	12.4
337.14429	4.0
339.12311	14.4
345.11279	5.2
351.12292	11.9
352.13129	2.1
353.14014	8.9
355.15509	3.4
363.12231	23.9
365.13843	9.9
368.12735	2.6
370.59573	2.0
381.13419	17.9
383.14813	6.0
399.14404	15.6
447.16434	13.4
509.18076	2.4
545.32953	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	3.3
53.03942	12.0
55.01865	8.3
55.05515	45.9
57.03429	13.5
57.07055	9.2
63.61667	3.7
65.03940	6.1
67.05513	94.2
69.03430	3.8
69.07075	24.8
69.31387	6.6
69.31785	23.5
71.04980	6.8
79.05495	69.9
81.03430	39.9
81.07064	91.2
82.48770	3.2
83.04980	9.9
83.08627	34.3
85.02900	13.2
85.06535	4.2
88.14973	3.7
89.78850	2.8
91.05483	56.2
93.07049	73.9
95.04981	30.0
95.08623	58.0
97.06516	8.2
97.10178	22.4
98.20696	7.7
99.08089	4.2
105.07034	53.7
107.04982	9.4
107.08595	34.5
109.06503	6.6
109.10178	32.4
111.08089	9.9
117.07030	13.0
119.08592	38.2
121.06470	6.7
121.10137	26.3
123.08055	4.9
123.11703	9.9
125.09639	11.5
129.07024	14.1
131.08588	27.8
133.10129	26.4
135.08081	4.4
135.11713	20.1
143.08589	7.4
145.10124	21.6
147.08052	4.4
147.11710	29.3
149.09602	7.7
149.13275	8.3
151.11113	4.0
157.10138	12.7
159.11703	12.3
161.13306	10.7
163.11160	7.5
163.14896	5.8
165.12714	5.5
169.10223	7.1
171.11711	6.0
173.13300	13.0
175.11174	7.6
175.14871	5.1
183.11662	5.1
185.13217	5.6
187.14799	4.4
189.11227	8.5
193.12231	26.2
195.11639	3.5
199.14818	7.1
201.16393	5.6
211.13277	21.9
213.16341	4.4
227.12665	8.8
261.22125	14.2
267.15887	17.0
279.54776	3.6
301.25345	22.5
308.71252	4.9
335.25833	16.3
401.40945	3.2
421.25531	3.9
435.32712	8.6
453.33548	12.6
471.34683	8.9
527.37354	39.0
545.38495	100.0
546.39172	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.4
53.03946	6.5
55.01870	6.3
55.05270	2.1
55.05516	31.2
57.03449	8.6
57.07078	2.9
65.03935	4.2
67.05509	76.0
69.03429	5.6
69.07074	21.3
69.82488	7.6
71.04986	6.7
77.03860	1.5
79.05501	66.5
81.03423	43.0
81.07063	76.5
83.04984	11.2
83.08630	20.1
85.02914	18.2
85.06538	3.3
91.05490	51.6
93.07050	69.4
95.04978	20.6
95.08613	42.0
97.06534	7.4
97.10167	11.2
105.04554	2.2
105.07039	44.7
107.04972	6.1
107.08607	33.4
109.06535	6.5
109.10160	21.9
111.04459	2.5
111.08109	8.6
115.05418	1.9
117.07048	15.6
119.08591	33.9
121.06551	3.8
121.10154	31.7
123.08089	4.0
123.11703	7.5
125.09626	5.8
129.07018	9.5
130.07788	1.6
131.08574	24.6
133.06519	3.6
133.10155	21.4
135.08090	2.3
135.11696	13.7
137.09641	3.1
137.13269	1.9
141.06934	1.9
142.07820	1.8
142.68643	1.5
143.08566	5.7
145.06503	1.6
145.10133	15.6
147.08034	3.9
147.11697	26.5
149.09642	9.0
149.13252	7.1
151.11177	1.9
155.08551	3.1
157.10144	14.3
159.11697	13.8
161.13295	7.7
163.11220	2.6
163.14839	2.2
165.12808	3.5
169.10129	4.1
171.11737	5.5
173.13292	10.3
175.11226	11.5
175.14902	2.9
177.12711	2.0
183.11700	2.8
185.13309	5.5
187.14825	3.2
189.11217	2.3
189.16504	1.6
193.12250	34.7
195.11565	1.5
197.13345	1.9
199.14870	3.5
205.15910	1.5
211.13295	38.6
227.12827	4.7
239.16434	1.8
243.21069	2.2
261.22168	6.9
267.15948	8.1
279.23465	1.7
285.22113	4.0
289.21576	4.2
301.25320	5.5
317.24789	1.8
335.25861	8.2
363.25397	3.5
417.31528	2.5
421.25778	1.4
435.32480	7.0
453.33752	4.8
471.34900	5.1
484.49609	1.5
501.35687	1.6
509.36475	4.3
527.37286	30.3
545.38397	100.0
546.38715	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
53.61675	1.7
55.01875	6.1
55.05511	35.3
57.03435	8.6
57.07071	2.9
64.87972	2.2
67.05505	74.7
69.03434	6.9
69.07061	20.5
71.04990	4.0
79.05496	52.5
81.03422	28.0
81.07056	62.8
83.04983	6.1
83.08616	23.7
85.06551	3.4
91.05489	40.7
93.07045	49.6
95.04980	17.3
95.08607	50.6
97.06553	6.5
97.10165	20.6
105.04469	2.3
105.07034	36.0
107.04980	8.7
107.08596	33.9
109.06529	5.5
109.10154	25.7
109.27323	1.9
111.08084	6.9
117.07018	14.3
119.08582	33.9
121.06522	8.5
121.10158	19.3
123.08098	6.9
123.11726	8.9
125.09640	17.0
128.06171	2.5
129.06984	12.5
131.08566	28.8
133.06544	3.2
133.10158	20.3
135.08081	7.9
135.11696	17.7
142.07811	3.0
143.08577	8.6
145.06543	2.2
145.10129	23.6
147.11678	14.5
149.09662	5.3
149.13264	7.3
155.08586	3.6
157.10161	9.9
159.11685	18.2
161.09662	2.8
161.13264	9.6
163.11212	5.3
163.14848	2.9
166.50073	2.1
169.10161	6.5
171.10350	2.3
171.11684	9.5
173.09760	2.3
173.13252	12.5
175.11258	5.0
175.14822	7.3
183.10271	2.1
183.11775	3.8
185.13332	5.2
187.11433	2.4
187.13359	1.9
187.14862	7.3
189.11191	12.8
191.14348	2.7
193.12238	10.9
197.13208	3.2
199.14868	6.5
201.12732	2.3
201.16502	3.0
209.13251	2.5
211.14902	2.7
213.16415	3.1
227.12785	16.1
229.20494	2.9
247.17072	3.0
261.22202	16.3
267.15891	22.2
273.22134	2.0
285.22244	4.7
287.19998	3.4
299.23779	2.7
301.25269	22.2
303.23233	3.1
330.53223	2.3
335.25745	17.9
359.25827	3.9
417.31375	2.9
421.25769	2.2
435.27258	2.6
435.32547	9.5
453.33600	19.9
458.47537	2.2
471.34802	11.6
525.01135	2.5
527.37354	61.5
545.38385	100.0
545.46771	4.8
546.38824	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
53.29615	2.1
55.01866	6.7
55.05270	2.6
55.05515	38.6
55.24056	2.0
57.03445	11.0
57.07070	3.3
65.03918	4.5
67.05510	77.5
67.36603	2.4
69.03420	3.2
69.06737	2.4
69.07072	31.5
69.97698	9.6
70.80452	2.1
71.04976	5.5
79.05496	58.9
81.03419	16.9
81.06596	5.0
81.07060	79.3
83.04971	8.5
83.08624	25.4
85.06544	4.5
91.05482	50.6
93.06490	3.7
93.07051	63.5
95.04992	18.2
95.08614	56.6
97.06523	9.7
97.10187	19.9
98.20789	4.6
99.08070	3.3
103.05432	3.8
105.07043	49.3
107.04956	6.0
107.08604	40.3
109.06524	5.4
109.10159	26.1
111.08079	4.6
115.05453	5.0
117.07040	18.2
119.08584	45.0
121.06478	8.5
121.10146	25.2
123.08070	3.5
123.11723	10.6
125.09659	15.1
128.06221	6.6
129.06995	13.6
131.08582	36.1
133.06555	4.2
133.10120	35.3
135.08043	6.9
135.11679	14.6
137.09657	3.3
137.13252	3.5
139.11150	3.7
141.06976	3.9
142.07782	4.6
143.08566	22.2
145.10130	33.7
147.08133	3.3
147.11691	23.7
149.09573	2.9
149.13295	19.2
151.11198	2.3
155.08543	9.3
157.10127	20.1
159.11700	27.8
161.09567	3.9
161.13269	19.2
163.14824	4.1
165.12747	3.1
167.08566	3.1
168.09357	2.8
169.10092	12.2
171.11713	14.5
173.13264	20.8
175.11142	4.7
175.14824	8.4
177.12738	2.4
181.10201	3.0
183.11749	10.7
185.13295	13.6
187.11218	2.5
187.14807	10.3
189.11189	7.2
193.12277	4.2
195.11642	4.8
197.13177	7.0
199.14838	9.3
201.16388	5.1
209.13243	4.6
211.14796	3.6
213.16458	3.9
215.18062	2.7
223.14949	3.4
227.12746	8.2
227.18213	2.5
233.67615	2.2
241.19501	9.6
247.17041	3.6
259.20581	18.6
261.22092	10.1
267.15851	14.7
268.41672	2.5
269.17462	10.2
278.32156	2.6
285.22000	3.7
294.20532	3.9
297.21750	2.3
299.20203	2.9
299.23593	3.6
301.22021	3.6
301.25226	17.0
303.23160	3.1
313.21594	2.9
313.25235	3.3
315.23166	3.2
317.24753	3.1
333.24384	10.6
335.25836	9.3
341.24530	3.6
353.24646	2.7
355.26096	2.5
362.26776	3.7
375.25290	2.3
407.33249	3.5
417.31555	4.9
423.32489	3.9
425.34024	6.4
435.27335	3.2
435.32678	15.3
453.33731	23.3
471.35010	14.9
499.37704	2.9
500.57452	2.3
501.35419	3.2
509.35959	8.2
517.39032	17.4
527.37354	100.0
528.37408	2.6
545.38110	93.5
546.37762	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01859	4.8
55.05513	22.6
57.03448	10.9
57.07065	2.9
59.04967	2.4
65.03944	3.0
67.05510	73.7
69.03435	2.9
69.07068	17.1
71.04997	6.2
71.08625	5.9
79.05155	1.0
79.05495	61.3
81.03435	7.5
81.07059	100.0
83.04987	7.5
83.08631	13.9
85.06544	4.8
89.06050	2.1
91.05486	54.3
91.06023	3.6
93.07050	62.5
95.04963	12.3
95.08617	57.5
97.06528	9.5
97.10181	6.5
103.05505	2.0
105.07040	52.5
107.04951	4.3
107.08607	35.0
109.06532	6.5
109.10159	24.5
111.08099	5.0
117.07031	16.5
119.08597	40.5
121.06571	5.0
121.10147	39.8
123.08102	3.9
123.11724	11.0
125.09670	4.1
129.07011	10.2
131.08578	30.8
132.01984	2.0
133.10138	30.9
135.08069	5.2
135.11707	22.8
137.09650	4.2
139.20161	1.9
141.07050	2.3
142.07809	3.4
143.08594	9.1
145.10129	24.9
147.08034	3.2
147.11694	31.2
149.09644	21.3
149.13289	12.7
151.11200	4.9
155.08638	4.5
157.10159	12.7
159.11697	19.4
161.13306	7.0
163.11232	12.7
163.14845	3.7
165.12723	11.1
167.10672	2.2
169.10167	6.3
171.11745	8.8
173.13303	14.6
175.11256	6.7
175.14857	4.5
177.12816	4.8
179.10748	2.3
179.14349	7.0
181.10159	4.5
183.11778	4.6
184.02144	2.1
185.11816	1.8
185.13354	6.6
187.11224	2.4
187.14839	4.8
189.11224	2.4
189.12836	3.0
191.10625	2.3
193.12273	3.6
195.11656	3.7
195.13779	2.1
197.13283	4.8
199.14822	4.9
205.42784	2.0
209.13359	3.1
211.13222	3.0
214.94876	2.8
227.12744	2.7
227.18039	2.1
229.20900	2.1
239.16280	3.1
241.19763	2.6
251.18073	2.3
259.20453	4.0
261.22131	10.1
265.24637	2.0
267.15930	7.9
271.20639	5.2
277.21765	6.2
279.23392	3.3
285.22308	2.5
289.21637	11.6
298.98514	2.3
301.25555	3.5
303.23328	3.9
317.21487	2.1
333.24503	3.2
335.25986	13.0
363.25363	13.8
366.65756	1.8
369.27765	2.4
381.26401	2.1
417.31741	4.9
435.27322	2.9
435.32684	17.7
453.33688	10.0
471.34705	4.6
509.36313	5.5
509.48456	2.0
527.37347	64.8
545.22504	5.3
545.31354	4.5
545.38422	70.5
546.38788	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.8
55.05516	16.0
57.07069	5.4
59.05005	2.4
67.05509	36.3
69.07060	20.7
69.59968	14.7
71.04997	15.6
79.05499	27.6
81.06587	5.2
81.07060	89.5
83.08617	10.6
85.06520	4.9
91.05482	21.2
93.07047	63.2
95.04985	5.0
95.08614	100.0
96.27402	2.6
97.10168	13.0
104.53367	2.4
105.07030	42.2
107.08597	50.4
109.06521	5.7
109.10164	57.2
111.08097	8.5
111.11722	4.9
117.07014	6.4
119.08587	48.8
119.09388	4.6
121.10162	47.8
123.11726	28.4
128.06204	2.4
128.99315	2.6
131.08543	15.6
133.10149	35.1
135.11705	31.8
137.09637	3.0
137.13271	9.0
143.08568	7.2
145.10143	29.8
147.11705	33.6
149.13277	31.9
155.08577	3.4
157.10172	9.5
159.11703	37.2
161.13249	26.0
163.14861	21.2
169.10095	4.3
171.11723	12.7
173.13280	23.3
175.14822	15.1
177.16408	10.0
180.43987	3.0
183.11748	4.8
185.13280	9.7
187.14815	15.9
189.16347	15.7
191.17932	6.2
199.14864	10.3
201.16359	14.4
203.18028	17.7
211.14873	3.6
213.16420	10.7
215.18045	11.9
217.19556	13.9
219.88506	2.5
227.18050	6.5
227.73572	2.4
229.19672	5.2
231.21201	3.5
239.18008	3.0
241.19603	4.4
243.21133	6.9
255.21199	4.2
257.22742	5.5
259.24265	3.4
267.21008	3.9
271.24203	5.4
285.25778	6.8
295.24216	3.6
297.25522	3.4
299.27228	3.9
311.27426	4.5
323.27451	2.8
327.30640	6.2
421.34613	4.8
527.46350	5.2
545.40204	9.7
545.47296	91.5
546.47980	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	546.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55767	5.3
55.05507	8.3
61.02920	9.5
67.05511	53.5
69.07050	14.5
70.75952	5.7
70.76271	11.1
79.05500	33.6
81.07055	73.5
83.08595	9.2
84.12968	4.4
85.02905	12.8
91.05472	19.8
93.07046	46.7
95.08616	57.1
97.02854	8.0
97.10188	10.0
98.03375	4.4
105.07040	11.8
107.08611	33.6
109.10167	39.6
117.07040	5.1
119.08564	16.5
121.10142	34.5
123.11695	12.6
131.08557	14.5
133.10164	14.3
135.11694	26.9
137.13261	8.8
145.10144	13.6
147.11777	9.7
149.13263	18.5
151.14848	6.0
159.11708	13.2
161.13275	13.1
163.14822	13.6
173.13290	13.8
175.14789	5.5
177.16328	9.3
179.36385	4.8
187.14880	10.6
218.08510	5.9
233.22655	8.2
243.21054	34.0
261.22119	100.0
279.23187	7.3
316.23172	4.9
335.25784	30.3
353.26907	35.7
354.13953	5.5
380.94101	4.7
440.66220	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	546.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.1
57.69392	3.1
61.02917	8.9
67.05510	39.3
69.07057	9.4
70.10433	13.8
79.05508	26.9
81.07068	52.2
83.08611	7.8
85.02912	9.3
91.03971	8.2
91.05492	18.0
93.07052	37.5
95.08610	40.1
97.02892	7.6
104.10719	5.7
105.07043	13.4
107.08581	25.1
107.90928	3.1
109.10172	24.6
117.07066	6.4
119.08586	10.3
121.10144	29.2
123.11728	15.7
131.08575	15.1
133.10115	10.6
135.11671	20.2
137.13260	7.8
145.10132	12.0
147.11691	9.6
149.13269	16.4
159.11702	7.8
161.13272	10.8
163.14879	16.5
173.13277	12.4
177.16431	6.9
187.14880	6.8
194.47189	3.5
233.22736	4.2
243.21143	28.4
261.22156	100.0
318.08035	3.4
335.25778	12.4
352.40454	3.4
353.26810	31.5
362.80673	3.7
410.50180	5.1
546.37103	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	547.327
Annotation	Westiellamide
Peak:m/z	Relative Intensity
55.05502	2.8
57.03437	0.8
57.07077	0.8
67.05515	8.2
69.07058	2.2
69.61604	5.6
71.04990	1.2
71.08620	0.9
73.72102	0.7
78.04736	0.8
79.05490	5.7
81.07067	8.3
83.08611	1.8
86.09690	1.4
87.04460	1.1
89.03922	9.7
89.06007	0.9
91.05483	5.4
93.07036	5.0
93.62192	0.8
94.41055	0.8
95.04971	1.8
95.08601	2.8
97.06541	1.8
104.10764	2.2
105.07027	2.3
107.08575	2.7
109.10150	1.9
117.03394	25.0
117.07040	1.0
119.08582	2.8
121.10120	3.4
127.77393	0.8
129.07037	1.0
131.08563	1.3
133.08640	1.3
133.10126	1.9
134.03610	2.7
135.04422	1.3
135.11708	1.5
145.02852	53.0
147.11723	1.7
149.05983	8.4
149.13228	0.9
159.11705	1.2
177.05481	100.0
184.07349	2.4
186.05531	2.0
380.96182	0.8
529.31219	2.6
529.38721	2.3
547.38434	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	547.3942
Annotation	Allopurpurin
Peak:m/z	Relative Intensity
53.03959	1.8
55.05513	6.8
57.07075	2.0
61.77988	1.0
65.03938	2.0
66.92022	1.1
67.05510	11.8
69.07069	7.7
71.52306	1.5
79.05499	10.1
81.03422	1.3
81.07059	14.7
83.04991	1.3
83.08602	5.3
85.06570	1.9
86.05510	0.9
91.05482	14.0
93.07050	16.2
95.04993	2.4
95.08618	12.1
97.10172	1.4
100.62656	1.0
103.05469	1.6
103.84187	1.1
105.07042	20.1
107.08603	14.8
109.06523	1.8
109.10171	14.1
117.07039	4.3
119.07800	2.0
119.08595	24.9
121.10146	14.1
123.08118	1.3
123.11719	3.6
125.09637	1.4
128.06252	2.6
129.07047	4.0
130.07785	2.3
131.08583	11.5
133.10136	21.1
135.08012	1.2
135.11716	9.4
137.09660	1.7
141.07005	2.5
142.07774	6.8
143.08585	10.0
144.09378	1.6
145.10138	14.6
147.11729	7.7
149.09616	2.1
149.13271	1.6
151.11165	1.2
153.07028	1.9
154.07805	1.4
154.46016	1.0
155.08557	6.2
156.09320	5.8
157.10147	19.0
158.10909	2.0
159.11717	10.3
161.13274	3.4
165.07027	2.8
167.08577	3.3
168.09389	2.9
169.10147	12.0
170.10919	2.6
171.11679	10.6
172.27945	1.2
173.13261	9.8
175.11270	1.5
175.14861	2.7
179.08607	3.7
180.09332	1.7
181.10123	5.3
182.10924	2.8
183.11720	9.0
184.12445	1.5
185.13289	8.8
187.14778	5.1
192.09421	1.9
193.10167	5.0
193.12277	1.1
194.10939	4.1
195.11736	8.4
196.12459	2.1
197.13298	9.8
199.14787	6.8
201.16440	1.8
203.08569	1.1
205.10240	1.4
206.10953	2.4
207.11690	5.1
208.12488	2.4
209.13324	8.5
210.14197	1.0
211.11377	1.1
211.14865	8.9
213.16432	3.6
215.08945	1.0
217.10107	2.6
218.10994	2.0
219.11729	3.4
220.12488	1.8
221.13274	9.8
222.14024	2.3
223.14925	5.1
225.16406	3.4
227.18132	1.8
229.15965	1.1
231.11699	2.5
232.12418	1.5
233.13277	6.6
235.14890	6.5
236.15620	1.9
237.16397	5.5
239.18007	4.1
243.11670	2.4
245.13303	3.2
246.14008	1.5
247.14882	3.2
249.16473	3.0
251.17999	4.7
253.19556	2.4
257.13370	2.3
259.14835	2.5
260.15628	2.6
261.16425	2.9
263.18011	3.4
265.19522	2.3
267.21204	1.7
270.13959	1.7
271.14972	1.6
272.15436	1.3
273.16367	2.8
275.17981	4.6
277.19604	3.0
281.13330	1.2
282.14059	1.4
283.14792	2.2
285.16492	3.0
287.17996	2.8
289.19489	2.4
291.21133	1.8
294.92352	1.4
295.14871	1.9
297.16431	1.6
299.17990	2.2
303.21066	2.6
307.20532	2.2
309.16516	1.9
309.22211	1.7
311.17862	2.6
313.19531	1.2
315.21140	1.9
321.15915	1.3
323.18018	1.8
325.19345	1.6
329.22736	1.5
335.17944	1.4
339.21033	1.4
347.23810	1.2
349.19537	1.1
353.22623	1.4
355.24335	1.6
379.24210	2.0
395.27374	1.1
402.18604	1.4
417.20911	1.9
425.28897	2.2
425.34927	1.3
431.22821	1.7
460.22906	1.2
488.21799	1.4
491.33127	3.0
515.36023	1.2
519.24384	1.4
529.38440	9.1
532.36707	1.7
547.23700	23.1
547.39435	100.0
548.39825	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	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.9
55.01864	2.8
55.05515	22.7
57.03444	9.2
57.07075	3.3
57.58943	1.5
65.03926	4.5
67.05509	90.6
69.03412	1.7
69.07070	22.7
69.38953	12.8
71.04978	5.3
71.16875	1.5
72.31473	1.5
79.05499	49.8
81.07060	100.0
83.04977	3.2
83.08627	12.0
85.06541	5.2
91.05483	36.6
93.07052	67.2
93.07635	3.9
95.04954	7.2
95.08612	56.0
96.17578	1.6
97.06513	7.4
97.10150	5.9
98.20760	3.1
99.08078	2.0
101.06612	1.4
105.04478	1.6
105.07038	32.7
107.04939	2.3
107.08604	37.3
109.06519	1.8
109.09465	2.6
109.10160	28.0
111.08056	3.5
113.05941	1.6
117.07017	12.9
119.08594	24.7
121.10154	30.9
123.08052	2.7
123.11729	15.5
125.09665	2.5
128.27106	1.6
129.07007	4.0
130.50568	1.7
131.08594	17.8
133.10136	21.3
135.11702	19.6
137.09549	1.6
137.13225	3.7
143.08543	4.3
145.10150	15.8
147.11679	19.7
149.09651	2.3
149.13272	20.1
152.36824	1.6
157.10126	6.1
159.11702	17.7
161.13269	8.3
163.11221	3.1
163.14819	3.0
165.12820	2.7
169.10114	1.8
171.11705	6.0
173.11879	2.6
173.13264	9.5
175.14838	3.8
177.12700	3.3
185.13286	3.6
187.14810	5.7
195.11990	1.7
195.13788	8.1
199.14748	3.3
209.13374	2.0
211.14722	2.1
229.14322	3.3
243.21106	3.3
259.20532	4.6
261.22180	23.9
267.15955	8.2
269.17511	19.1
274.44171	1.8
279.23123	3.0
301.25314	2.8
317.24808	5.0
335.25894	20.6
431.85541	1.8
437.34131	12.4
455.35376	10.2
473.36206	11.5
475.34210	2.4
485.35941	1.7
503.37170	5.0
511.38120	4.4
529.38916	59.5
547.39990	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01866	2.5
55.05315	2.0
55.05517	22.7
57.03426	4.8
57.07072	5.2
65.03925	4.7
67.05508	81.6
69.07069	18.8
71.03866	6.7
71.04994	5.3
79.05076	4.1
79.05499	49.1
81.03419	5.7
81.07063	100.0
83.04960	4.0
83.08617	14.3
85.06522	3.9
91.05480	42.9
93.06486	3.8
93.07049	53.7
95.04943	4.9
95.08614	61.0
97.06522	7.5
97.10141	6.7
105.07030	40.2
107.08593	38.3
109.06522	3.0
109.10168	27.4
111.08086	5.6
117.07010	10.2
119.08578	27.8
120.05995	2.0
121.10149	27.1
123.11745	14.5
125.09566	4.1
129.07004	5.7
131.08566	23.4
133.10141	24.0
135.11703	19.2
143.08574	6.8
145.10136	16.3
147.11726	23.4
149.13272	19.0
151.11130	2.5
153.12889	2.5
155.08595	3.5
157.10112	8.0
159.11682	16.1
161.13257	6.4
163.14790	5.9
165.12746	3.6
169.10239	2.8
171.11652	4.4
173.13214	10.6
175.14832	6.7
177.12772	3.3
183.11615	3.6
185.13268	4.4
187.14799	6.3
193.12303	4.5
195.13686	6.4
199.14832	5.5
202.59013	2.6
202.60670	2.9
227.12794	2.8
229.14343	4.1
259.20554	3.2
261.22040	16.3
267.15952	6.2
269.17517	13.1
287.23450	3.8
301.25430	4.8
303.39716	2.4
317.24850	2.9
335.25848	12.6
343.26611	2.5
419.08765	2.3
419.33090	3.3
437.34155	16.5
455.35059	10.8
473.35959	9.7
503.37125	5.9
511.37863	3.0
529.38812	58.5
547.40326	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73483	0.6
55.37700	0.5
57.03416	0.9
57.07075	1.3
63.02250	0.5
64.70299	0.5
65.03942	0.9
69.03425	1.0
69.25269	0.6
70.02262	0.5
70.06589	2.0
71.05001	5.1
71.51044	0.8
72.08147	0.6
75.04489	0.5
79.05512	0.6
81.03407	0.6
83.04964	1.5
84.08165	0.8
85.02908	8.1
86.09691	1.1
87.04527	0.5
93.03383	0.6
121.02863	2.5
121.03973	0.6
125.53045	0.5
127.03863	0.6
129.05481	3.9
130.08588	0.8
133.10147	0.6
137.06033	0.7
147.06522	1.5
149.02351	100.0
150.02675	1.0
161.06042	0.8
164.09189	0.6
167.03355	1.0
171.58755	0.5
205.08640	4.6
223.09651	13.1
548.19214	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01866	2.5
55.05509	7.2
57.03431	5.0
57.67150	1.9
58.29815	1.8
61.02930	8.0
67.05507	10.7
69.03443	18.3
69.07073	16.7
70.06599	11.6
70.64352	5.9
71.04984	2.8
72.08144	2.9
79.05502	6.0
81.03425	5.7
81.07047	7.1
83.04987	16.3
83.08637	3.1
84.04490	3.8
84.08157	4.8
85.02911	25.6
86.09720	5.4
91.03946	4.6
91.05480	9.0
93.07059	12.0
95.01332	8.3
95.04969	2.6
95.08613	30.7
97.02906	4.7
97.06551	6.0
97.10175	8.7
105.07034	22.3
107.04942	2.4
107.08614	14.1
109.02893	4.8
109.06553	5.0
109.10183	15.9
111.04459	1.9
111.08076	3.8
113.02390	3.4
113.05994	2.8
116.07129	2.5
117.07028	3.8
119.08595	54.3
121.06467	2.2
121.10152	22.8
123.04449	5.7
123.08057	8.6
123.11702	7.3
125.06001	4.3
125.09603	2.9
127.03951	4.7
127.07578	2.1
129.10297	2.0
131.08588	4.3
131.99019	2.1
133.06468	2.3
133.10141	85.0
135.08049	8.7
135.11740	2.0
137.06000	4.8
139.03912	7.1
141.01820	3.9
143.03401	3.3
143.08582	2.2
145.04974	3.9
145.10121	4.3
147.08049	2.3
147.11691	30.0
149.06082	3.0
151.07610	2.7
153.05461	5.7
153.09114	4.9
155.08681	2.0
157.04961	5.9
157.09970	2.1
159.06490	3.5
160.12518	2.3
161.05891	2.5
161.09608	2.7
161.13248	9.9
167.07082	6.0
173.13264	4.4
175.14842	94.2
176.15675	7.2
177.03986	5.2
177.05518	2.7
179.07088	5.4
183.06577	10.7
185.04485	3.3
185.08061	4.0
187.14871	2.5
189.09134	2.9
193.15918	6.7
203.05508	7.1
203.14392	3.3
211.05969	11.0
213.07567	5.8
215.05507	22.1
215.14259	3.0
225.11311	6.6
229.07104	33.3
243.08740	9.4
253.10739	4.2
257.10281	10.7
271.11801	37.2
287.16342	2.9
305.17566	6.6
333.17032	3.9
351.18063	100.0
467.98276	2.1
469.02258	1.9
548.27911	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.5
57.03444	5.1
57.07082	2.3
61.04762	0.5
65.03956	0.5
67.05169	0.7
67.05507	6.7
69.07074	7.6
70.07153	1.7
71.04977	1.3
71.08620	1.8
71.40494	0.5
76.89870	0.4
79.05496	4.7
81.06595	0.7
81.07064	10.3
83.05005	0.9
83.08629	4.6
85.06547	0.9
86.09695	1.2
91.05523	2.4
93.07048	8.1
95.04925	0.6
95.08618	10.6
97.06543	2.5
97.10194	1.1
98.21444	0.5
98.98479	3.7
99.08092	1.7
105.07030	4.1
107.08607	11.5
109.06515	5.1
109.10162	5.9
111.08096	2.6
111.11767	0.6
119.08582	4.8
121.09328	0.7
121.10155	8.7
123.08073	14.9
123.11722	1.9
125.00010	0.9
125.09645	0.9
131.08588	1.3
133.10167	3.0
135.08069	0.8
135.11717	2.8
137.09631	1.0
137.13284	1.1
144.09407	0.5
145.10114	1.8
147.11691	1.4
149.09605	0.6
149.13274	2.3
157.10132	0.5
159.11713	1.3
161.13298	1.3
163.14832	2.0
165.12785	1.1
167.14311	3.0
173.02133	0.6
175.14822	1.1
177.16353	4.2
179.14328	18.8
181.15994	0.7
184.07355	3.7
187.14912	0.5
193.15912	0.8
216.06306	0.8
231.15912	0.6
235.20541	0.4
248.23801	1.5
249.22014	0.5
263.20065	1.0
267.16245	0.4
277.21732	3.5
291.23196	1.3
293.21155	0.7
305.28522	0.7
315.26758	0.5
333.23935	0.7
333.27914	15.2
349.27213	0.9
351.29007	7.6
371.29279	0.7
376.32196	1.1
389.30499	3.1
407.31595	100.0
408.32007	2.2
410.06534	0.4
449.09717	0.6
487.28229	0.7
505.29425	2.1
548.40179	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
55.01876	5.6
55.05516	18.1
57.03422	13.8
58.16520	3.7
61.02915	8.3
67.05189	4.5
67.05507	59.5
69.07066	18.9
69.17057	12.3
69.17487	29.0
79.05494	43.7
81.03407	4.2
81.06665	4.9
81.07063	61.4
83.04988	3.9
83.08613	17.7
85.02884	6.5
91.05488	40.7
93.07043	59.1
95.04968	9.7
95.08611	42.4
97.06512	11.0
97.10157	7.9
99.08076	4.4
105.04481	4.3
105.07025	41.7
107.04941	8.0
107.08601	38.4
109.06527	7.4
109.10148	16.9
117.07014	12.8
119.04922	4.1
119.08579	32.5
121.10147	25.7
123.11688	5.5
125.09648	4.6
129.06996	6.7
131.08607	20.3
132.05301	3.8
133.10156	29.3
135.11736	22.6
139.11292	3.9
143.08510	6.0
145.10072	16.4
147.04436	8.5
147.11728	26.3
149.13245	11.8
157.10114	6.9
159.11671	12.6
161.13263	12.5
163.14836	4.6
170.82475	3.9
171.11734	13.2
173.13216	9.4
175.14780	7.2
185.13287	9.3
187.14812	8.5
203.14369	3.8
219.17317	7.3
221.18871	4.1
229.14381	12.6
231.20996	3.9
241.19525	10.3
259.20587	33.0
277.21570	33.7
351.21158	6.3
351.25327	100.0
383.14795	5.0
463.25827	4.2
548.20026	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.3
57.03438	18.9
65.03946	6.5
65.75728	6.2
67.05505	46.7
69.07087	13.0
69.30147	38.5
69.30560	14.5
71.04999	8.9
77.80058	6.1
79.05493	51.2
81.07062	54.4
83.08604	8.3
83.76129	6.0
85.02896	10.6
87.94231	6.5
91.05499	39.7
93.07056	65.7
95.04998	10.9
95.08622	46.5
96.68579	6.3
97.10180	10.0
98.20737	11.4
105.07030	44.3
107.04952	17.3
107.08613	46.5
109.10143	18.5
117.07022	17.7
119.08583	25.3
121.10144	29.3
123.11775	8.5
129.06931	7.9
131.08563	23.8
133.10121	33.4
135.11742	29.6
143.08556	11.3
145.10115	20.4
147.11693	28.9
149.13272	13.9
156.63998	6.3
157.10078	7.2
159.11722	29.9
161.13245	15.2
173.13313	7.6
175.14865	7.2
184.68616	6.0
187.14905	12.3
209.08237	6.6
241.19533	19.7
259.20605	40.5
277.21646	29.1
351.25345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01878	4.2
55.05518	21.2
57.03429	7.9
61.02909	4.0
61.25906	3.2
67.05514	53.1
69.03417	4.3
69.07076	17.9
69.16605	26.1
69.17016	7.6
77.05190	3.2
79.05501	41.4
81.03418	4.0
81.07061	46.0
83.04947	5.1
83.08604	12.9
85.02928	7.0
91.05495	31.8
93.07051	50.9
95.08614	38.4
97.06543	3.8
97.10188	9.1
105.07025	29.7
107.08601	33.6
109.10173	25.9
111.08128	4.3
117.07014	7.9
119.08613	30.5
121.10163	22.1
123.11719	7.8
125.09676	8.0
129.07018	7.4
131.08546	9.0
133.10130	24.0
135.11691	21.0
137.09578	4.2
143.08536	6.9
145.10121	14.3
147.04509	3.3
147.11668	19.8
149.13243	12.3
159.11676	11.4
161.13277	10.5
163.14861	6.7
171.11681	5.7
173.13269	8.6
175.14844	7.5
185.13322	8.3
185.23755	3.5
185.58221	3.2
229.14388	15.2
230.28860	3.8
241.19539	9.9
259.20599	29.7
277.21622	25.4
280.50763	3.5
333.24265	3.3
351.25311	100.0
369.26315	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	548.5041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
55.05278	0.7
55.05516	8.4
56.05039	5.9
57.07078	3.0
58.06592	0.5
60.04531	4.2
61.93341	0.5
65.03915	0.7
66.72236	0.5
67.04240	0.6
67.05508	14.4
68.05020	1.8
69.07074	8.2
69.07430	1.0
70.06583	1.6
71.08624	2.2
75.71509	0.5
79.05071	0.9
79.05494	12.2
80.05010	3.3
81.05804	1.3
81.06597	0.9
81.07063	14.8
82.06123	0.9
82.06580	11.0
83.08614	4.9
84.08144	0.8
85.10177	1.3
86.06084	0.9
91.05482	12.6
93.05794	1.2
93.07051	11.2
94.06571	20.2
95.04943	1.2
95.07346	10.4
95.08610	11.0
96.08130	6.0
97.06545	0.8
97.10181	3.4
98.06049	0.7
100.07632	0.7
105.04493	0.9
105.07040	7.2
107.08600	6.2
108.08118	4.1
109.10157	4.6
111.11703	1.0
119.08591	7.2
121.10142	8.3
122.09688	2.6
123.11683	1.9
133.10136	3.4
135.10506	1.2
135.11679	3.7
136.11182	1.0
137.13266	1.4
141.84799	0.5
147.11678	2.1
148.24615	0.6
149.13266	1.5
151.79869	0.6
161.13376	0.6
163.14751	0.6
177.16426	1.0
189.16399	0.6
205.19403	0.7
219.21091	4.7
220.20584	1.0
231.21124	4.8
233.22675	0.6
236.23730	8.9
248.23746	100.0
249.24231	1.1
250.25290	1.9
261.74274	0.5
262.25327	16.2
266.24808	9.9
280.26382	1.9
282.27838	1.1
286.27786	0.8
300.28903	5.3
316.28922	0.6
372.17578	0.6
439.18414	0.7
518.49207	1.7
530.49390	9.0
548.50391	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	549.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.5
55.01839	6.3
55.72135	4.4
57.81743	4.7
58.96101	4.8
61.63165	4.1
65.03938	24.2
65.22182	4.3
69.47376	35.1
79.05486	19.3
81.07068	6.8
82.41115	4.3
85.02916	10.8
91.05489	62.0
93.03411	21.4
93.07042	7.5
95.01311	6.8
95.05000	6.9
97.06528	7.7
98.21487	10.5
103.05454	20.7
105.03385	10.5
105.07027	21.4
106.04180	14.7
107.04989	32.6
109.06508	9.1
110.03681	18.3
111.04449	20.4
115.05441	11.3
119.04967	38.3
121.06506	12.9
122.03648	5.1
123.04453	9.4
124.05195	8.3
125.06010	26.5
128.06224	10.2
129.06996	7.8
131.04944	28.1
133.06505	19.3
136.83893	5.0
137.06001	29.9
137.23718	4.7
145.06514	13.2
147.04390	24.7
149.05988	19.6
151.03926	7.3
151.07568	18.3
153.05472	100.0
159.08096	14.1
161.06000	27.2
165.05374	6.9
167.07063	100.0
171.04539	5.8
172.05179	8.2
174.06708	28.6
175.07588	29.8
176.04732	5.6
177.05511	11.7
179.07028	13.7
179.08569	5.9
181.08618	10.2
185.06017	7.0
186.06732	11.8
187.07561	27.1
189.07198	5.9
190.07773	7.0
191.06946	10.3
191.08592	8.6
199.07515	18.4
202.07863	5.8
203.08652	7.7
204.07767	7.1
205.06552	11.8
206.07295	7.5
209.07951	24.0
216.07806	22.8
217.08575	6.3
218.07356	7.1
219.08099	16.3
220.01540	5.0
220.08855	9.4
229.08575	19.4
231.08105	11.2
233.09711	13.6
234.06761	9.2
235.07625	13.8
236.08382	13.1
246.06789	9.7
247.07529	13.6
248.08319	7.6
249.09091	10.9
251.10809	24.1
261.05432	7.8
261.09198	8.6
263.07089	11.4
263.10706	6.3
264.07910	31.2
264.10376	5.0
265.08627	19.6
276.07806	17.7
277.08688	13.8
278.09320	12.0
279.10275	26.4
280.07312	7.1
287.06073	5.3
289.08591	6.9
291.10211	6.5
292.07312	11.8
293.08054	16.7
306.09073	8.1
307.09668	82.5
308.10480	14.3
309.11197	17.8
310.31808	5.4
310.52362	5.3
319.09674	22.1
320.10260	8.8
321.11206	17.0
322.12073	7.3
323.12827	21.9
339.12299	91.7
340.13077	36.5
351.12302	74.7
352.13116	13.8
353.13870	17.1
383.14883	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	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
54.01814	1.0
55.01867	4.1
55.05507	2.1
57.03437	11.1
57.07076	1.0
59.01849	1.2
59.05013	1.2
61.02917	11.8
62.06073	1.6
65.03937	1.1
67.05502	3.2
69.03432	29.9
69.07076	2.5
70.06596	6.4
71.04990	5.1
71.36230	1.2
71.51431	1.8
72.08145	3.2
73.02907	4.1
79.05479	4.9
81.03426	13.2
81.07076	6.4
83.01349	1.4
83.04961	2.9
84.08135	2.9
85.02912	91.5
85.06545	8.3
86.09715	4.2
87.04456	3.7
91.03960	5.4
91.05482	8.6
93.07045	9.2
94.06802	1.1
95.04955	3.5
95.08607	3.6
97.02901	29.5
97.06528	2.1
99.04476	5.6
100.28355	1.1
103.03986	1.5
103.05450	3.0
105.07034	15.8
107.04955	2.5
107.08616	7.2
109.02884	9.5
109.06525	7.3
109.10182	2.0
110.07150	1.1
111.08089	1.7
117.06995	3.3
119.08588	10.3
120.08109	1.1
121.02864	1.1
121.06530	12.3
121.10149	6.0
122.03651	3.0
122.07231	1.2
123.08082	24.5
125.05988	3.2
127.03928	20.0
129.10213	2.3
131.04985	1.1
131.08603	7.4
133.06493	4.5
133.10165	10.8
135.08063	4.8
135.11710	2.9
137.05028	2.2
137.05992	28.9
143.08513	3.1
145.04970	30.2
145.06233	1.8
145.10139	7.8
147.08017	5.0
147.11681	7.0
149.09619	3.2
151.03915	1.3
151.07555	44.3
151.11174	2.1
156.09348	3.0
159.08072	2.3
161.09641	1.3
161.13300	3.9
163.06026	3.7
163.11194	43.9
163.14795	1.2
163.48189	1.1
164.07082	2.1
167.07060	4.3
171.11687	2.3
173.06010	1.8
173.13280	2.1
174.10420	3.7
175.07506	1.6
181.04973	4.6
181.12244	38.6
187.07788	1.0
189.12755	100.0
191.14355	14.3
205.12225	1.6
207.13820	53.4
223.13374	2.6
225.14905	5.3
229.10690	1.9
247.11765	1.7
287.05594	7.3
307.15320	1.5
320.32315	1.1
325.16553	3.2
343.17557	3.7
351.18225	1.8
357.13300	4.0
369.14716	1.9
369.19077	38.8
387.14917	2.6
549.19049	8.0
549.26428	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	549.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79690	4.0
55.05518	27.9
57.07081	7.9
58.76613	3.6
67.05512	44.8
69.07080	26.1
69.35863	21.7
69.36282	14.2
71.04977	7.1
74.09690	4.5
74.86878	3.8
79.05510	30.5
81.07063	100.0
83.08616	11.2
85.06561	4.9
91.05482	34.2
93.06483	5.0
93.07053	66.3
95.04980	7.8
95.08067	6.4
95.08620	78.0
97.06531	6.5
97.10161	11.0
98.43818	3.7
99.04436	13.9
105.07041	61.0
107.08611	64.4
109.06495	7.5
109.10185	37.7
111.08033	4.4
111.11693	4.5
117.07016	10.4
119.07809	4.9
119.08588	57.3
121.06489	17.7
121.10166	46.1
123.08067	7.1
123.11703	21.7
127.07641	5.4
131.08589	24.6
133.10162	37.9
135.11716	28.2
142.07700	3.7
143.08580	13.7
145.10143	33.9
147.08105	6.5
147.11702	32.5
149.09630	14.7
149.13275	35.7
151.11197	5.7
157.10091	16.4
159.11734	29.0
161.13225	19.4
163.11124	5.6
163.14799	13.1
167.10657	7.5
169.10165	8.6
171.11700	12.8
173.13277	23.1
175.14876	15.5
177.16402	7.0
185.13303	11.1
187.14851	18.9
189.12779	5.2
189.16429	11.7
199.14780	13.4
201.16415	14.0
203.17996	9.8
211.14851	7.4
213.16411	8.8
215.17940	11.1
217.19615	5.5
229.19481	5.9
231.20976	5.7
257.22769	9.7
313.27783	6.4
386.40564	5.0
513.40930	8.4
526.78564	4.4
531.41840	26.4
549.24976	6.5
549.43073	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85050	0.3
53.36488	0.3
53.65937	0.3
55.05502	0.4
57.03428	1.2
66.09522	0.3
69.03436	1.5
69.07069	0.3
69.56680	1.1
69.57111	0.8
70.06577	0.6
71.04997	3.0
73.02896	1.0
81.03394	0.3
83.04973	1.0
84.08143	0.5
85.02909	5.2
86.09703	0.6
91.05484	0.6
95.04959	0.4
95.08585	0.4
97.02895	1.9
103.05469	0.6
105.07056	0.6
107.04946	1.1
111.04421	0.5
115.03947	0.4
115.05460	0.4
122.96065	0.3
125.05959	0.4
129.05472	0.7
131.04939	0.8
137.05952	1.6
138.06308	0.7
147.04431	0.4
149.60550	0.3
151.03957	0.5
151.07590	0.4
152.04221	0.3
153.06918	0.4
165.06999	0.3
167.07018	0.7
168.05733	0.3
181.06476	0.3
183.08058	3.4
184.07324	0.3
195.08128	0.7
196.05226	0.6
197.06000	1.1
201.09174	0.3
211.07552	8.6
211.09492	0.6
214.06229	0.3
218.38724	0.3
223.07619	0.3
225.09146	0.6
226.09865	0.4
229.08594	3.6
239.07036	17.4
240.07697	0.4
241.08615	0.6
253.08434	0.6
254.09190	0.4
255.10225	0.3
257.08109	11.1
259.09732	0.6
271.09790	0.5
272.10440	100.0
273.10800	1.4
287.09061	0.7
302.11523	1.8
351.63141	0.3
384.14981	0.4
404.14758	1.3
414.20807	0.3
518.18927	1.8
550.21222	0.5
576.95819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23129	4.9
55.05507	11.5
61.02929	19.1
67.05511	87.7
69.07068	13.1
70.06577	7.1
79.05501	30.1
80.64607	4.5
81.07062	100.0
83.04900	4.8
83.08633	10.9
85.02912	17.5
91.03987	11.5
91.05487	18.5
93.07046	30.8
95.08614	80.4
97.02894	8.6
100.10016	5.4
105.07035	15.5
107.08586	20.0
109.10165	44.1
119.08564	16.4
121.10146	19.7
123.11698	21.8
131.04996	4.5
131.08545	13.0
133.10143	13.9
135.11673	23.6
145.10110	13.5
147.11678	13.3
149.13225	13.2
151.14929	4.6
159.11714	11.1
161.13235	13.1
173.13240	8.1
178.96577	3.7
187.14830	8.2
234.71313	4.2
243.21097	19.6
250.08887	4.2
252.07416	5.0
256.26416	6.2
261.22141	62.3
352.64423	4.4
371.23618	31.4
417.77774	4.3
479.50113	4.9
550.44708	4.9
569.64215	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	551.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82219	3.0
53.03946	4.5
55.01870	8.4
62.33348	3.4
65.03923	5.0
67.05513	4.0
69.03430	4.8
69.36643	3.1
71.51490	5.5
77.57859	2.8
77.64078	3.6
79.05486	13.9
81.03422	8.7
81.07040	6.9
83.61893	2.8
84.04488	3.9
84.08176	3.8
85.02909	5.6
85.95418	2.9
86.09762	3.4
91.05479	33.4
91.91107	3.4
93.07033	9.6
94.04208	3.2
95.04984	6.9
95.08602	4.3
99.04414	3.9
100.86644	2.9
102.04654	3.7
103.05476	30.4
105.07036	11.1
107.04968	21.8
107.08567	3.7
108.02122	3.7
109.02902	7.0
115.05458	10.4
117.07038	4.6
119.04941	13.3
119.08584	7.2
121.06497	8.9
121.10158	4.5
122.03661	6.6
127.03840	5.9
129.06976	4.0
130.04175	4.2
131.04939	97.8
132.18703	3.3
133.02858	22.3
133.06554	5.8
133.10146	3.3
135.04393	11.0
136.76405	3.3
137.05005	6.5
137.05977	59.8
143.04958	6.0
144.05669	4.9
145.06471	7.3
147.04424	25.9
149.06026	16.2
150.06760	6.5
151.03860	19.4
151.07610	7.2
153.05492	16.7
157.06511	4.2
159.08072	4.7
161.05977	24.6
162.03015	4.5
162.06731	14.6
163.03856	3.2
163.06293	6.3
163.07550	66.0
165.05484	11.1
165.06987	11.3
167.07054	29.5
170.10938	3.5
170.15410	4.4
172.05206	4.3
175.07602	3.7
177.05527	18.3
177.06970	5.7
178.07768	5.3
179.07086	6.2
179.08589	4.5
181.05011	6.8
181.06520	6.2
183.08037	6.5
185.05983	5.9
187.07465	4.6
189.05563	7.0
189.07019	4.7
191.07028	8.1
191.08554	7.1
193.06502	7.9
194.07329	8.1
195.08139	6.5
198.06686	4.1
203.07060	17.1
204.05708	6.1
205.04941	24.5
205.06567	11.8
206.07318	7.1
207.08067	8.0
209.06038	3.8
210.78986	3.7
211.07582	7.2
215.07042	11.6
218.07242	4.5
219.08092	11.1
220.05191	11.5
220.08656	4.3
221.05991	29.7
222.06799	10.6
223.07565	6.5
225.09131	7.2
227.06972	4.3
231.07973	5.4
232.05173	6.7
232.08650	3.6
233.05954	10.2
234.06857	10.0
235.07561	20.7
236.08330	10.8
237.05557	6.7
237.09119	10.7
238.06245	6.6
239.07028	15.5
245.05986	7.8
246.06783	5.6
247.07613	23.1
248.04707	8.4
248.08154	5.5
249.05518	33.6
249.08055	3.8
249.09160	5.3
250.06262	18.7
251.07037	13.5
252.07748	5.0
253.08498	8.7
259.07504	4.7
261.05527	9.2
261.09177	5.5
262.06256	12.2
263.07043	22.1
264.07858	15.7
265.05081	3.9
265.08633	20.2
266.05759	5.8
267.06516	6.3
275.07150	17.3
276.07813	6.2
277.04965	5.6
277.08475	8.2
278.05692	7.1
279.06747	6.4
279.10043	8.4
280.07422	7.8
281.08081	11.6
282.05496	4.8
282.08926	11.0
289.08646	5.3
291.06567	5.8
291.10013	7.6
292.07312	13.7
293.08047	37.4
295.09711	8.6
297.07645	9.9
301.10883	5.5
303.06451	3.7
304.07330	4.5
305.08069	8.2
305.96500	4.3
307.09616	38.3
309.07608	9.8
309.11087	6.5
310.08575	5.9
313.10605	6.0
319.09683	13.3
321.07449	11.2
321.11084	6.5
322.08847	4.3
323.09131	8.2
325.10706	31.6
335.09171	29.2
337.10901	20.4
339.12247	7.3
341.10190	38.7
341.13855	5.0
353.05984	6.9
353.10205	100.0
372.92084	3.8
379.11728	5.9
391.11636	12.1
457.32477	4.0
483.14224	5.4
485.15927	11.4
497.16168	15.7
503.16760	5.9
515.17078	12.0
521.18414	3.9
551.10901	5.6
551.18671	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	551.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60613	1.3
51.43211	1.2
53.03951	2.3
55.01871	1.7
58.63692	1.3
60.46876	1.3
64.90836	1.3
65.21058	1.4
69.03413	2.2
70.02618	1.5
70.06583	6.3
71.06927	1.8
71.51232	2.6
79.05505	9.4
84.08141	3.8
85.02917	3.2
86.09709	3.9
89.03910	1.9
90.04727	1.5
91.05489	4.6
93.02404	1.5
97.02872	2.0
97.11923	1.4
103.05479	25.6
105.04528	1.4
105.07038	71.6
106.07365	1.9
107.04977	1.5
109.02878	1.8
110.07184	1.8
115.05463	15.6
118.04183	6.7
119.04946	3.3
120.08104	1.8
122.08086	1.3
127.03903	1.4
127.72202	1.3
129.10254	2.1
131.04921	10.7
132.05673	1.6
133.02835	1.5
133.06503	56.1
137.05983	4.1
140.23900	1.5
140.82776	1.4
143.06061	7.0
143.56757	1.6
147.04417	4.2
148.05186	4.9
151.03923	1.9
156.07700	1.5
161.05994	100.0
163.07556	12.4
167.07082	2.5
177.05475	4.9
179.07036	2.5
191.07045	58.5
193.08629	35.1
195.06538	1.4
207.13857	1.6
247.07333	1.4
279.79190	1.4
303.04990	3.9
485.31876	1.8
551.18469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63133	0.8
71.50785	1.4
84.08147	1.3
107.04908	2.0
110.07162	2.7
115.05468	1.1
117.05788	1.2
117.06988	1.4
118.06546	20.9
130.06532	2.3
132.08096	5.2
142.06519	1.7
143.07330	2.7
144.08081	12.0
146.06012	61.1
147.11298	1.0
159.09222	6.7
160.07669	1.3
170.06012	4.5
181.11002	1.1
188.07074	100.0
189.07373	1.1
205.09731	40.7
211.23740	1.0
419.08624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50930	3.3
53.03952	7.8
55.05504	14.5
57.07066	15.0
67.05506	37.6
69.07078	33.1
71.08627	4.7
71.12496	5.0
79.05503	32.0
81.07062	61.9
83.08620	13.2
91.05482	48.0
93.07054	66.3
95.05001	5.4
95.08611	64.3
96.85637	3.2
97.10154	3.5
103.05495	6.6
105.07034	77.2
107.08594	67.2
109.06508	4.4
109.10168	53.9
109.33929	3.2
117.07027	14.1
119.08588	100.0
121.10145	45.2
123.11717	16.0
128.06219	5.4
129.07010	14.3
130.07785	9.6
131.08580	34.2
133.10133	54.6
135.11699	43.0
137.13226	3.4
141.07053	7.7
142.07796	12.6
143.08565	27.6
144.09331	9.0
145.10144	59.8
147.11674	25.4
149.13342	4.5
155.08556	10.0
156.09352	13.5
157.10133	42.2
158.10909	8.1
159.11670	34.4
161.13283	13.5
163.11203	3.9
167.08588	5.8
169.10124	17.7
170.10863	4.3
171.10457	3.4
171.11728	20.4
173.13295	28.0
175.14841	45.2
179.08517	5.0
181.10147	9.9
182.10966	6.3
183.11667	18.1
184.12444	4.2
185.13312	14.7
187.14879	12.7
190.69940	3.6
193.10179	7.3
194.10892	6.5
195.11691	13.0
196.12558	4.4
197.13246	20.4
199.14845	9.3
201.16403	11.6
203.14325	3.1
205.16017	3.8
207.11658	9.5
208.12491	4.2
209.13281	15.2
211.14888	10.0
213.16373	4.6
219.11734	5.6
219.17374	5.3
221.13309	10.4
223.14832	13.5
225.16408	6.7
233.13179	4.9
235.14825	6.2
237.16470	5.7
239.17894	3.9
241.19611	6.7
247.14722	3.7
249.16422	4.7
251.18092	5.1
253.19508	4.3
265.19452	6.3
267.21152	4.8
269.17499	5.4
277.19705	5.1
281.22723	3.6
283.20551	5.8
551.42468	37.9
551.50238	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	552.208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90536	3.9
53.03944	6.1
55.01881	4.4
57.03442	10.2
57.94994	3.2
60.40866	3.0
69.03430	24.4
70.04577	9.6
70.04972	7.6
71.04996	4.6
79.05515	4.1
81.03432	29.4
81.07082	3.7
83.56489	3.7
85.02916	36.4
85.37630	4.1
86.09714	4.2
91.05473	4.9
97.02904	33.9
99.04453	9.6
101.02390	57.6
105.07051	9.0
107.04998	19.1
109.02895	38.4
117.07051	4.0
119.02637	7.0
119.03430	90.8
127.03918	31.4
131.03406	10.3
133.10150	4.7
137.06007	7.3
145.04996	13.4
145.10223	4.1
161.04575	4.5
161.05991	7.8
173.04497	19.4
195.08032	9.8
203.05504	5.0
209.05925	4.3
212.08331	4.8
213.09134	4.9
223.07458	7.5
227.07060	6.0
227.10617	13.7
237.09264	6.6
242.09435	14.7
245.06560	4.9
255.10149	28.5
258.08899	7.5
265.08563	5.7
266.09424	5.0
267.10284	5.0
271.09717	8.2
272.10626	5.6
273.08240	4.7
273.11212	100.0
283.09732	4.6
284.10394	19.5
297.11206	35.1
315.12302	33.4
335.12747	7.9
339.12369	20.9
353.13715	7.1
363.12299	19.7
381.13339	25.1
391.15436	3.8
499.16058	8.9
575.59747	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25031	0.3
57.03429	0.5
59.15170	0.4
65.03965	0.5
69.03423	0.4
70.06596	2.4
70.79597	0.6
70.79928	0.8
71.05002	3.1
72.08166	0.5
73.72115	0.4
73.91897	0.4
76.00330	0.4
79.05555	0.5
79.94922	0.4
82.19021	0.4
84.08144	0.9
85.02916	3.6
86.09738	1.0
91.05510	1.0
97.06547	0.5
103.05481	0.4
105.07047	0.5
107.04920	1.2
117.06990	0.8
119.04935	1.0
121.06508	1.9
123.08083	0.6
128.07150	0.4
129.05457	1.5
129.10248	0.5
131.04906	0.4
133.02879	0.8
133.06462	0.8
133.10139	0.4
134.07278	0.8
135.08051	1.8
136.05182	0.8
137.05957	1.7
146.07266	1.0
147.04431	1.9
147.06561	1.1
147.08066	1.6
148.05194	0.9
149.05983	1.5
151.07553	2.8
153.05458	1.9
161.05998	0.8
162.06841	2.6
163.07571	3.3
164.09203	1.2
165.05447	2.1
166.06282	3.4
168.07841	5.3
169.08519	0.4
177.09125	1.8
178.09900	9.4
179.07045	4.0
179.10553	0.7
181.08615	17.1
187.06084	0.5
194.09409	12.6
209.11748	100.0
210.12051	1.1
227.53998	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73898	0.4
53.03934	0.5
53.07663	0.3
54.12594	0.3
55.05514	2.2
56.49013	0.4
57.07069	0.4
61.02926	0.4
63.66185	0.4
65.93756	0.4
67.05519	2.0
69.03419	0.7
69.07076	6.4
69.67352	2.5
70.06586	0.6
73.70061	0.5
79.05480	0.4
81.03415	0.5
81.07044	2.1
83.08610	1.5
85.02897	2.1
91.05485	2.1
93.07042	1.6
95.08619	5.3
96.84825	0.4
97.02863	0.6
102.48054	0.4
105.07035	6.9
107.08598	2.4
109.10163	5.5
110.07178	0.5
117.07063	0.5
119.08591	30.3
121.10175	2.0
123.11697	0.4
131.04915	0.4
131.08539	1.0
133.10138	27.2
135.11708	1.8
137.04103	0.4
137.09636	2.6
145.10095	1.1
147.11685	4.1
149.13248	0.5
151.14810	0.9
160.12495	1.5
173.13271	0.7
175.14835	100.0
176.15173	1.4
177.16408	0.7
193.15892	14.2
201.39365	0.4
207.42200	0.4
270.26495	0.4
348.17108	0.4
447.91470	0.4
544.41742	0.4
552.37256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40911	1.5
50.44267	1.7
53.03944	3.1
55.01886	1.7
55.05310	1.5
55.05516	15.9
57.03434	9.5
57.07079	3.8
65.03926	2.6
67.05511	73.5
69.07072	24.9
69.45815	12.1
71.05011	7.8
79.05501	30.9
81.07062	100.0
83.04975	1.8
83.08619	5.9
84.08929	1.6
85.06538	12.7
91.05489	16.2
93.07047	31.0
95.04967	2.7
95.08614	91.4
97.06544	3.4
97.10188	2.8
99.08103	4.0
105.07029	14.7
107.08614	12.5
109.10149	10.0
117.07034	1.8
119.08564	13.3
121.10129	12.8
123.11704	6.3
131.08585	4.0
133.10130	5.5
135.11731	8.5
135.24367	1.9
137.13268	3.5
145.10138	4.0
147.11691	12.6
149.13292	4.3
165.12752	9.9
173.13326	3.7
179.96854	1.8
183.13783	5.1
201.14888	3.1
243.21072	3.6
257.17496	82.9
261.22125	10.0
279.15903	1.6
317.24799	2.8
335.25824	72.1
393.97906	1.5
451.21927	1.8
476.55829	1.6
517.38898	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	7.8
56.05028	4.2
57.07076	4.0
58.06586	2.4
60.04519	3.9
67.05509	13.4
68.05048	1.7
69.07071	10.3
69.56255	3.7
69.56662	9.1
71.08629	1.6
79.05502	12.2
80.05001	3.3
81.07069	13.5
82.06604	8.4
83.08626	7.1
86.42019	1.7
91.05472	10.8
93.07069	11.3
94.06576	21.1
95.07359	11.7
95.08623	12.2
96.08108	6.5
97.10162	3.4
98.23124	1.4
105.07035	8.0
107.08597	7.2
108.08100	3.2
109.10156	5.9
109.77136	1.7
119.08566	6.3
121.10139	6.3
133.10088	3.6
135.11687	5.8
167.83260	1.6
183.65973	1.7
233.22627	3.5
234.22139	9.1
245.22670	3.4
248.23770	2.6
250.25296	8.7
262.25317	100.0
272.25818	5.2
280.26364	9.4
498.06735	1.7
504.47546	3.5
516.48102	8.7
517.09509	1.7
534.48511	4.8
563.50781	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1346
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
50.01598	0.5
51.02378	0.9
53.03709	0.4
53.03948	5.4
55.01866	0.7
57.03437	0.6
61.02931	0.3
62.05591	0.2
65.03953	0.2
67.05518	0.4
68.99789	1.1
69.03082	0.5
69.03429	5.5
69.62563	1.4
70.06596	0.4
71.05000	0.8
73.02921	0.3
77.03915	1.4
79.05485	3.0
81.03417	13.4
81.07027	0.4
85.02908	4.1
91.05486	0.7
93.07020	0.6
95.04965	4.3
95.08604	0.4
97.02892	8.5
99.04452	1.7
103.05463	0.3
105.03391	71.8
105.04529	2.7
105.07027	0.6
106.03735	0.5
107.04945	1.0
109.02878	6.0
111.00799	0.9
119.04944	0.3
119.08573	0.6
121.02868	3.5
123.04431	4.1
127.03917	5.3
129.06990	0.3
131.04959	0.4
133.02844	0.7
133.10123	0.4
137.02296	1.1
137.05963	1.4
145.04984	1.7
145.10065	0.3
147.04376	1.0
153.01830	4.6
157.06464	0.6
161.05974	0.7
163.03880	0.2
165.01840	1.8
169.70461	0.2
175.07591	0.3
179.07022	0.4
180.01874	0.2
183.02869	0.9
185.06042	0.6
199.14986	0.2
201.05391	0.4
203.07091	0.4
213.05414	1.7
221.68571	0.2
225.91415	0.2
231.06442	0.6
237.97385	0.3
241.04935	0.9
249.07603	12.3
258.05228	1.4
259.05914	0.5
267.08633	1.0
269.04639	0.2
278.46942	0.2
287.05493	100.0
288.05844	1.8
329.06570	0.8
335.12790	0.3
382.73340	0.3
395.07797	0.4
438.14246	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.207
Annotation	Thielavin E
Peak:m/z	Relative Intensity
50.54752	0.5
52.93661	0.5
53.03935	1.3
55.01854	0.5
55.05484	0.5
65.03948	1.2
66.04721	0.8
67.05498	0.6
69.03421	1.4
70.06589	2.1
71.43921	0.4
71.51368	0.8
72.08150	1.0
79.05482	1.6
81.03415	3.1
81.07056	1.1
84.08142	1.3
85.02919	2.3
86.09701	2.0
91.05473	4.2
93.03396	0.7
93.07052	0.8
94.04178	4.5
94.83021	0.4
95.04975	1.3
95.62693	0.5
97.02890	0.9
97.09279	0.5
99.04444	0.7
100.11246	0.7
103.05466	3.0
105.07014	1.5
107.04964	3.2
107.92896	0.6
108.02074	0.6
109.02886	2.6
110.07156	0.6
111.04424	0.7
112.33656	0.5
115.05462	3.8
117.07003	1.3
119.04935	3.8
119.08620	0.6
121.06479	0.7
121.10158	0.5
122.03647	9.8
122.06049	0.8
123.04376	0.7
127.03915	1.9
129.10268	0.5
130.79193	0.5
131.04926	4.9
133.06458	0.8
136.07574	1.5
137.05978	100.0
143.03740	0.9
143.04924	15.4
145.06471	0.9
146.06007	2.0
147.04408	5.3
149.05988	1.5
151.03917	16.9
151.05061	1.6
151.07550	1.8
157.06389	0.6
160.05185	0.9
161.05957	4.3
163.07520	3.3
164.07062	2.1
165.53583	0.5
167.07053	2.1
175.07559	4.0
177.05490	1.3
179.07053	2.1
187.05994	1.0
187.07513	1.0
190.06274	0.9
191.07001	0.9
193.04950	0.5
198.09380	0.6
199.07520	0.6
201.05545	0.6
203.07027	5.9
205.06908	0.7
205.08588	3.4
209.08051	0.6
221.08017	0.5
225.08836	0.6
227.07008	0.7
231.08244	0.6
242.94012	0.6
251.96722	0.5
257.07898	0.5
257.12982	2.6
265.08557	0.7
267.10077	0.6
277.08325	0.5
283.09570	0.7
285.12405	2.4
287.05569	1.1
291.10016	0.7
297.11267	1.0
303.10147	0.6
311.32935	0.6
313.10638	0.9
315.12350	0.7
321.11475	0.6
323.12927	0.8
325.10672	2.5
327.12115	2.5
335.12817	0.8
357.13391	6.5
381.13290	0.9
391.16644	1.5
405.90149	0.5
429.16501	1.1
472.03308	0.5
487.17688	0.7
505.18561	1.0
523.19751	7.1
553.20752	17.1
554.21259	0.6
579.77142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54752	0.5
52.93661	0.5
53.03935	1.3
55.01854	0.5
55.05484	0.5
65.03948	1.2
66.04721	0.8
67.05498	0.6
69.03421	1.4
70.06589	2.1
71.43921	0.4
71.51368	0.8
72.08150	1.0
79.05482	1.6
81.03415	3.1
81.07056	1.1
84.08142	1.3
85.02919	2.3
86.09701	2.0
91.05473	4.2
93.03396	0.7
93.07052	0.8
94.04178	4.5
94.83021	0.4
95.04975	1.3
95.62693	0.5
97.02890	0.9
97.09279	0.5
99.04444	0.7
100.11246	0.7
103.05466	3.0
105.07014	1.5
107.04964	3.2
107.92896	0.6
108.02074	0.6
109.02886	2.6
110.07156	0.6
111.04424	0.7
112.33656	0.5
115.05462	3.8
117.07003	1.3
119.04935	3.8
119.08620	0.6
121.06479	0.7
121.10158	0.5
122.03647	9.8
122.06049	0.8
123.04376	0.7
127.03915	1.9
129.10268	0.5
130.79193	0.5
131.04926	4.9
133.06458	0.8
136.07574	1.5
137.05978	100.0
143.03740	0.9
143.04924	15.4
145.06471	0.9
146.06007	2.0
147.04408	5.3
149.05988	1.5
151.03917	16.9
151.05061	1.6
151.07550	1.8
157.06389	0.6
160.05185	0.9
161.05957	4.3
163.07520	3.3
164.07062	2.1
165.53583	0.5
167.07053	2.1
175.07559	4.0
177.05490	1.3
179.07053	2.1
187.05994	1.0
187.07513	1.0
190.06274	0.9
191.07001	0.9
193.04950	0.5
198.09380	0.6
199.07520	0.6
201.05545	0.6
203.07027	5.9
205.06908	0.7
205.08588	3.4
209.08051	0.6
221.08017	0.5
225.08836	0.6
227.07008	0.7
231.08244	0.6
242.94012	0.6
251.96722	0.5
257.07898	0.5
257.12982	2.6
265.08557	0.7
267.10077	0.6
277.08325	0.5
283.09570	0.7
285.12405	2.4
287.05569	1.1
291.10016	0.7
297.11267	1.0
303.10147	0.6
311.32935	0.6
313.10638	0.9
315.12350	0.7
321.11475	0.6
323.12927	0.8
325.10672	2.5
327.12115	2.5
335.12817	0.8
357.13391	6.5
381.13290	0.9
391.16644	1.5
405.90149	0.5
429.16501	1.1
472.03308	0.5
487.17688	0.7
505.18561	1.0
523.19751	7.1
553.20752	17.1
554.21259	0.6
579.77142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.01867	0.7
60.94049	0.4
61.02923	0.8
67.19582	0.4
69.03443	2.1
69.07030	0.4
69.98927	0.4
69.99265	1.7
70.06599	0.9
71.05002	0.5
71.25358	0.3
79.05496	0.5
81.03410	1.2
81.07034	0.5
84.08196	0.5
85.02911	4.9
94.39239	0.4
97.02894	1.4
98.21478	0.5
101.60472	0.4
106.02909	0.5
109.02852	1.0
122.03654	0.6
124.03959	0.6
127.03906	1.2
135.11707	0.6
136.07608	0.6
137.05995	5.5
138.06342	2.4
143.04918	0.8
145.04979	0.7
151.03906	1.0
153.12756	3.0
161.05992	5.0
165.07034	1.1
176.08316	0.8
181.06447	0.6
183.08058	0.9
185.05966	0.6
187.06035	0.5
187.07578	0.5
188.08337	1.0
195.07990	0.7
196.08807	0.5
197.05978	1.2
198.06830	0.8
199.07559	0.9
210.06734	0.7
211.07581	1.8
212.08379	2.9
213.05592	0.6
213.08986	2.1
214.09879	1.1
215.10706	0.9
216.06107	0.8
224.08345	1.1
225.09088	2.6
227.04980	0.6
227.07036	6.3
228.07890	2.8
232.05536	0.9
237.05473	2.5
239.07108	0.6
241.08650	2.3
242.04037	0.5
242.09409	12.9
242.11887	0.8
243.10167	8.5
244.05518	0.5
247.07942	2.6
253.08698	1.0
255.06589	1.4
257.06375	1.3
260.04974	1.3
269.08121	0.5
270.08945	6.0
271.09665	42.3
272.05048	2.0
272.10403	6.3
274.08929	0.4
275.07391	30.9
281.06216	0.4
283.07709	0.6
285.05948	0.5
287.05533	0.7
302.08633	0.8
303.06873	100.0
304.07230	1.3
305.08383	0.7
311.07394	3.3
313.09018	0.9
329.08438	8.5
346.11014	0.4
357.13141	0.5
358.13675	1.4
374.10645	2.0
375.08957	3.3
392.11658	20.5
518.14624	0.6
554.20959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05270	2.2
55.05517	22.2
57.03439	11.1
57.07067	5.9
67.05507	67.0
68.20640	2.5
69.07072	35.6
71.04980	6.8
71.08625	2.1
71.52062	2.5
71.52427	2.9
75.08656	2.0
75.92018	2.2
79.05496	19.6
81.07058	97.3
83.08630	12.2
85.06542	15.5
91.05484	10.5
93.07053	14.4
95.08613	93.8
97.06494	4.6
97.10160	2.8
99.08062	3.2
105.07024	10.0
107.08569	8.0
109.10162	10.2
119.08572	8.0
121.10134	9.4
123.11720	7.4
133.10141	4.5
135.11688	3.9
137.13197	6.1
147.11699	17.0
149.13202	3.0
161.13261	2.8
165.12761	9.5
168.72748	2.1
183.13805	4.3
201.14880	5.2
224.95819	2.6
231.51369	1.9
257.14749	5.3
257.17484	100.0
263.23813	2.9
337.27374	81.9
338.27640	2.4
519.33307	3.7
519.40521	58.8
528.96082	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	554.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.8
57.07080	33.0
61.78851	1.3
66.13908	1.1
69.07062	6.4
69.86278	6.4
71.08641	31.1
73.06567	8.5
81.07055	2.8
83.08622	6.3
85.09721	1.8
85.10189	19.6
87.04455	4.2
89.06038	100.0
95.08636	2.1
96.51811	1.2
97.10199	5.9
99.11742	3.2
104.90169	1.2
107.07040	1.6
109.03273	1.3
111.11729	2.9
117.09113	3.7
125.13252	2.2
127.14827	1.7
130.08627	2.8
133.08615	50.4
135.11548	1.2
177.11230	22.2
211.24219	1.9
220.65340	1.4
221.13812	3.8
239.14934	3.6
242.80730	1.2
248.70421	1.4
255.26810	2.4
283.17529	2.9
293.53909	1.3
299.29413	5.5
327.20074	9.9
343.31863	3.3
537.43561	8.7
580.07416	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
55.01864	3.2
57.03436	2.3
61.02922	2.0
63.09377	1.0
69.03433	29.9
69.03819	1.6
69.27203	8.7
70.06593	1.0
71.01343	1.7
71.05001	5.6
71.05319	1.0
73.02922	1.7
81.03423	26.7
81.07082	1.1
83.01359	1.3
85.02915	49.0
91.05487	100.0
97.02892	20.8
99.04459	12.4
105.07031	1.9
107.04966	5.6
109.02133	1.6
109.02883	27.6
115.05464	6.6
117.07012	10.5
119.04940	1.6
125.02304	1.1
127.03924	83.1
133.06511	3.6
139.04008	1.0
143.04936	3.4
145.04965	16.3
145.06494	10.2
147.04471	1.6
155.06110	1.2
161.05991	38.7
167.07166	1.3
169.05014	5.8
171.04425	13.1
179.07054	28.3
179.08583	2.0
187.06027	19.7
189.05505	8.0
205.07072	3.5
207.06592	2.1
215.05495	2.7
221.08116	1.9
224.04861	1.2
233.08012	1.6
249.07712	1.1
287.09097	1.7
305.10300	7.0
315.08658	1.6
333.09702	4.4
347.11368	1.4
354.12341	1.1
393.12247	1.6
430.66849	1.1
519.14880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03009	0.7
53.03952	5.1
55.01880	2.4
55.05523	0.7
57.03439	4.6
61.02936	3.6
65.03948	1.5
69.03435	44.4
69.07070	1.1
69.27013	4.1
69.27438	2.3
70.06594	1.0
71.01357	2.2
71.05009	4.1
73.75040	0.7
81.03425	22.4
81.07063	0.9
83.01348	1.0
83.04996	0.7
85.02910	64.9
89.96465	0.7
91.05488	99.1
92.05836	0.9
97.02899	22.8
99.04467	9.4
101.02390	1.5
103.05480	2.0
105.07048	2.2
107.04941	1.2
109.02891	30.2
111.04444	1.3
115.03916	1.2
115.05447	5.7
117.07019	15.8
119.04958	2.8
119.08575	1.0
123.04472	0.7
127.03927	100.0
131.08649	0.8
133.06494	3.8
137.06052	1.0
138.72418	0.8
139.03906	2.4
141.00108	0.7
143.04921	4.0
143.08571	1.3
145.04979	14.7
145.06503	20.0
147.04422	1.7
155.06050	2.9
161.04639	1.8
161.05994	33.6
163.03931	2.4
169.04988	6.4
171.04413	15.4
171.05759	1.4
175.03862	1.5
179.07045	34.9
187.06041	25.5
189.05487	14.4
193.04980	1.3
199.07730	1.1
205.07007	5.8
207.06535	5.7
215.05606	1.8
218.79436	0.8
221.08101	1.5
225.07623	2.1
245.08025	1.0
249.07613	2.8
269.08093	1.3
271.07947	0.9
287.09106	1.6
305.10284	4.2
315.08594	1.4
323.11459	1.7
333.09573	2.4
347.11365	1.5
351.10770	1.0
369.11554	1.1
375.10730	0.9
393.11731	1.6
537.15845	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00902	1.0
50.13454	1.0
53.03941	3.6
55.01868	1.2
57.03429	2.9
61.02921	3.3
69.03435	41.6
70.22996	1.9
70.23373	3.4
71.01383	1.3
71.05016	2.4
74.16302	0.9
81.03423	23.7
81.07027	1.6
82.32285	1.1
85.02911	60.6
86.39328	1.1
89.61504	1.2
91.05486	100.0
97.02318	1.2
97.02901	22.8
99.04474	9.4
103.05475	1.3
105.03419	1.6
105.07045	1.3
107.04951	2.0
109.02884	27.4
115.05450	5.9
117.07034	13.8
119.04931	2.7
121.10202	1.2
127.03925	96.1
127.44205	1.4
133.06493	4.0
139.03926	2.0
143.04924	4.5
145.04956	16.5
145.06488	16.0
147.04347	1.3
155.06058	2.4
157.11920	1.0
161.05994	33.3
169.04970	6.9
171.04411	15.2
173.43971	1.0
179.07053	35.4
187.06030	26.5
189.05486	13.5
205.07007	6.6
207.06516	6.7
214.26308	1.0
215.05435	1.9
221.08133	2.3
231.06557	1.6
245.08035	1.2
249.07588	2.6
258.10208	1.3
269.08310	1.2
288.05829	1.4
305.10214	3.9
315.08490	1.9
333.09918	2.5
353.12888	1.1
383.10831	1.2
393.11951	2.6
450.28333	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24259	0.3
55.01823	1.9
59.69419	0.3
67.07680	0.3
69.03394	0.7
69.75769	1.9
81.03371	0.7
85.02850	0.5
89.45293	0.3
91.05497	1.9
101.86924	0.4
105.06978	0.3
107.04931	0.4
109.02855	0.5
115.05399	0.4
127.03865	1.0
129.06946	0.6
141.06975	0.4
141.11394	0.4
152.06184	0.5
153.06961	0.4
154.07678	0.4
155.08511	0.4
158.07182	0.3
161.05913	1.0
165.07002	2.3
167.08524	1.0
168.05711	0.8
169.06363	0.6
171.04422	0.4
171.08055	0.4
181.06459	0.7
182.07320	1.6
183.08084	1.5
184.08818	0.5
185.05998	1.6
186.06783	0.5
187.07491	0.8
189.09174	0.5
193.06470	1.2
194.07277	2.0
195.08018	0.7
196.05150	0.9
197.05991	4.0
198.06673	0.9
199.07498	0.7
200.08409	1.7
201.09091	1.3
210.06779	1.9
211.07578	3.0
212.08336	12.1
213.05492	3.5
213.08902	0.4
215.07016	0.8
215.10672	1.9
217.08571	0.3
221.05913	0.5
222.06691	0.4
223.07423	0.4
224.04663	0.5
225.05418	0.9
225.09128	7.9
227.07016	1.0
228.07817	8.4
229.08626	0.6
235.07571	0.6
237.05447	0.6
238.06161	0.6
239.06929	0.7
240.07825	3.7
241.08609	2.7
243.10190	26.1
245.08145	2.1
253.04886	0.8
253.08636	4.5
255.06311	0.3
255.10138	2.4
256.07401	0.5
257.07922	0.4
267.10010	0.3
268.07321	1.9
269.08057	1.3
270.08743	0.7
271.09656	100.0
272.10156	1.7
283.09680	5.4
284.10419	2.2
285.10992	0.6
307.09494	0.4
367.11862	0.4
388.11328	0.4
405.11023	0.6
406.12076	0.4
416.10092	0.5
417.11273	0.4
419.12808	0.6
430.11844	0.4
431.12970	1.2
432.14160	0.6
433.10529	0.6
434.11377	0.6
437.13962	0.4
445.14676	0.4
446.15820	0.6
447.12341	1.2
448.13083	1.0
449.13721	1.2
459.12125	0.5
462.14777	0.8
463.15372	1.0
473.13846	0.5
474.14688	0.5
476.12299	0.5
477.17279	1.0
479.15262	0.4
480.16092	0.5
490.14404	0.7
491.14899	2.2
492.15720	4.1
493.16202	0.7
494.17111	0.5
505.16455	1.1
506.17023	1.0
508.15366	1.1
509.19669	0.4
523.17560	5.6
524.18512	0.4
537.18921	0.7
555.20087	16.2
555.31262	1.5
556.21295	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	3.7
57.03436	6.4
57.07080	27.5
62.08087	0.8
67.05511	10.0
69.07071	6.3
71.04985	0.8
71.08637	20.6
71.51621	0.7
73.51755	0.8
79.05497	2.0
81.03420	6.9
81.07061	14.0
83.08620	8.8
85.10193	10.1
89.06050	1.0
91.05498	1.2
91.06490	0.9
93.07033	1.9
95.08614	19.8
96.73337	0.8
97.10182	5.1
98.98472	78.4
99.04442	1.4
103.21977	0.7
107.08620	0.9
109.02890	4.3
109.10156	7.7
109.32181	0.7
111.11726	1.2
116.99501	1.0
117.27391	0.8
123.11686	2.7
125.13210	1.3
128.21770	0.8
137.13289	2.0
155.01048	100.0
159.11592	1.0
159.68628	0.8
221.22717	0.8
222.03783	0.8
239.23697	9.0
243.02791	2.0
313.27380	63.3
314.27707	1.0
317.06277	6.8
327.35648	0.8
383.27985	1.6
393.23962	6.0
401.29050	4.3
537.28088	2.1
555.39661	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01867	4.0
55.05516	4.6
55.51642	1.7
57.03435	2.0
57.07066	6.4
61.47455	1.7
65.03963	1.7
67.05505	16.6
69.07064	6.3
69.11372	2.0
69.16093	20.5
71.08624	3.2
79.05512	10.8
80.11198	2.0
81.03408	2.7
81.07060	12.2
82.81171	1.9
83.08590	2.4
83.28943	1.7
85.10203	3.3
91.05489	11.1
93.07050	10.3
95.08625	9.9
97.06530	4.2
98.21506	4.4
98.97540	2.7
98.98470	15.7
105.07046	14.2
107.05003	3.2
107.08619	2.8
109.06503	2.0
109.10139	3.2
117.07026	3.5
119.08579	4.8
129.07051	2.9
131.00150	2.2
131.08559	3.6
133.10139	6.3
145.10147	2.2
147.11734	2.3
155.01057	17.7
157.10229	2.0
160.11189	1.7
171.11760	1.9
177.12737	1.8
207.13631	2.1
275.20096	13.3
313.27377	13.0
405.53357	2.2
453.15710	3.3
555.22235	5.4
555.29376	100.0
555.36731	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	556.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18442	1.6
53.03956	4.1
53.88754	1.7
55.01892	2.2
56.90993	1.8
57.03431	4.9
61.02925	5.6
69.03435	13.0
69.97908	1.6
70.56252	3.8
81.03425	7.0
85.02911	36.0
91.03956	2.3
91.05495	2.3
93.33076	1.8
95.04455	1.7
95.04943	8.4
97.02917	13.6
99.04450	2.3
107.04964	100.0
109.02885	4.8
119.04946	30.5
121.02924	1.8
123.04433	28.5
127.03924	8.5
131.04935	7.5
133.06598	4.1
137.06012	10.7
139.03902	55.5
139.04913	2.8
145.04993	7.9
147.04396	12.0
149.02344	5.2
151.03922	29.3
161.05984	7.7
163.07558	2.4
175.07558	3.6
187.07579	4.2
187.63849	1.8
189.05513	2.3
215.07004	8.3
221.09958	1.8
227.07204	1.9
235.42361	1.6
243.06580	5.2
245.08151	16.6
255.06554	4.4
257.08102	44.3
273.07593	64.2
311.12869	2.4
325.89703	1.8
435.12961	3.3
542.81653	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
58.80164	0.2
69.03432	2.4
70.49162	0.8
81.03420	44.7
99.04462	0.4
105.95082	0.2
107.04953	0.5
119.03520	1.4
127.05042	1.7
136.06190	100.0
137.04576	0.7
137.06606	0.3
139.03836	0.2
152.93938	0.2
207.05750	0.2
207.07677	4.1
216.08727	0.4
234.09827	0.3
241.68060	0.2
295.15692	0.2
323.06555	1.1
498.83231	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01860	4.4
57.03454	2.2
58.36617	1.4
65.03939	3.1
68.33010	1.4
69.03419	2.6
70.06590	5.2
71.06081	1.7
71.06400	1.9
71.77379	1.5
72.08157	2.6
79.05493	7.7
81.03410	2.1
85.02927	7.3
86.09709	2.0
91.05487	36.1
95.04956	2.2
97.02898	1.7
99.56841	1.5
103.05466	45.1
105.03396	6.2
105.07030	24.5
107.04977	6.7
108.05191	1.6
109.06542	9.1
115.05463	5.2
117.07011	2.6
118.04105	2.0
119.04942	53.2
121.06494	4.4
122.03693	3.0
123.08102	4.5
131.04933	100.0
132.24455	1.5
133.02861	6.9
133.06497	20.7
137.05986	79.8
143.06035	2.7
145.06497	1.9
147.04424	22.5
147.08101	2.2
149.05986	5.9
151.07571	24.2
159.08052	1.9
160.05217	2.4
161.05989	80.5
162.06718	8.5
163.07559	59.3
163.08968	1.9
165.05525	5.4
172.05220	3.5
175.07538	21.6
179.07037	26.3
187.07503	14.3
191.08469	1.9
193.08649	5.3
199.07608	2.1
204.23532	1.6
205.08595	11.1
205.10266	2.0
217.08646	4.3
219.07982	2.3
223.18733	1.5
231.08104	1.7
235.09598	3.4
247.07576	1.9
251.10724	3.3
263.10867	1.7
279.10181	5.0
291.10153	3.1
296.10339	2.8
309.11130	8.4
311.12769	13.8
314.23141	1.6
323.12756	2.5
329.13818	2.7
341.13669	8.5
419.45398	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80730	1.5
53.03953	2.2
55.01865	4.9
61.75718	1.5
65.03944	3.1
69.03420	2.4
70.06600	10.6
70.24300	3.1
70.24699	3.0
71.04959	2.9
72.08163	2.3
79.05495	5.7
81.47784	1.5
81.73566	1.6
84.08145	2.9
85.02897	5.2
91.05482	30.5
95.04984	2.5
97.02893	3.5
98.21422	3.0
103.05473	46.7
105.03403	7.5
105.07033	17.6
107.04961	5.5
109.06517	5.4
115.05439	4.1
119.04947	46.2
120.08126	1.8
121.02819	2.5
121.06508	3.0
122.03683	3.3
123.08089	2.9
129.07001	2.5
129.10297	2.0
130.08614	2.3
131.04935	100.0
133.02867	6.3
133.06506	19.6
137.05986	66.9
145.06436	2.0
147.04413	22.2
147.08046	2.5
149.06003	4.3
151.07559	19.6
159.08089	3.6
161.05980	59.6
161.07278	3.5
162.06755	6.1
163.07547	58.0
165.05499	2.8
172.05257	2.7
175.07562	18.2
179.07071	18.5
187.07550	11.5
189.09128	2.3
191.08522	2.1
193.08626	4.0
205.08589	13.9
219.08008	2.7
231.08083	2.2
235.09560	1.9
236.08270	1.6
247.07524	2.6
251.10748	3.1
259.07346	2.1
279.10132	5.3
291.10132	3.7
309.11237	6.0
311.12781	12.6
323.12494	2.3
329.14130	2.6
341.13922	6.6
359.14618	2.7
490.26224	1.7
575.76917	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01865	5.7
61.02910	1.4
65.03942	2.5
69.03417	6.0
69.96750	3.1
69.97150	5.8
70.06596	2.8
71.05003	2.1
72.08165	2.2
73.60888	1.4
79.05492	4.7
81.03432	2.7
85.02923	13.7
86.09672	1.4
91.05488	41.8
94.04188	3.0
95.04958	3.2
97.02903	4.7
103.05472	29.0
105.03391	7.4
105.07040	14.6
107.04945	6.6
108.05674	1.5
109.02872	3.4
109.06521	6.8
115.05455	5.7
117.07043	1.6
118.04153	1.7
119.04121	2.4
119.04950	46.7
119.08630	2.3
120.08163	1.7
121.02856	4.2
121.06480	2.4
122.03673	3.2
123.08028	2.2
127.03914	5.6
129.07005	2.5
130.04114	2.0
131.04941	50.8
132.05640	1.8
133.02850	3.2
133.06523	12.4
135.08058	2.0
137.05986	100.0
143.06044	2.0
145.04993	3.5
145.06364	1.5
147.04425	18.6
147.08043	3.2
149.05989	4.6
151.07536	22.1
159.08047	3.7
160.05229	2.9
161.05995	30.2
162.06726	5.4
163.07553	55.5
165.05626	2.0
167.07065	1.6
172.05145	2.6
175.07567	27.9
177.05499	4.0
177.09103	3.5
179.07037	22.1
187.07558	14.2
191.07037	2.4
191.08611	2.7
193.08626	7.9
199.07478	2.3
205.08624	3.0
215.07068	1.9
215.76694	1.4
217.08655	5.7
219.08067	4.2
219.10103	2.7
231.08028	1.6
247.07484	3.5
251.10756	3.6
278.09335	1.7
279.10175	4.9
291.10056	3.3
299.41171	1.5
309.08200	2.2
309.11249	22.3
311.12793	14.2
323.12601	4.7
341.13812	9.8
491.86148	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53182	1.5
56.96564	30.3
57.82600	1.4
64.92088	1.5
65.07784	1.4
69.03429	3.7
70.94737	2.6
78.16295	1.6
81.03426	2.6
84.96038	14.0
85.02903	6.4
86.23074	1.9
86.71656	1.5
87.96202	1.5
91.14790	1.6
97.02900	3.6
98.97585	100.0
101.00913	9.4
102.97092	1.8
110.97585	45.6
112.99174	3.8
113.00845	2.4
116.98623	30.9
119.01918	11.0
119.04928	2.1
124.99134	5.3
127.00698	1.7
127.02423	3.7
127.03925	2.3
128.98608	26.4
131.00159	2.8
131.01907	5.9
134.99643	4.1
140.98607	11.2
143.00191	13.9
143.01872	11.3
144.98080	3.4
145.03459	10.8
145.04826	1.9
146.99672	8.4
147.04399	7.8
152.97342	1.5
152.98618	4.4
154.96529	4.5
155.01913	6.0
157.03522	2.8
158.99663	32.1
159.04999	4.0
161.01259	12.4
161.02913	9.7
167.01872	3.9
169.03452	12.8
170.99657	33.8
171.03702	1.8
171.05060	4.9
172.97604	13.0
173.01399	2.3
173.02985	9.0
177.00735	15.2
179.02127	3.0
181.03433	1.7
182.99657	27.7
185.02983	14.6
186.03046	1.9
186.99199	2.8
187.04491	16.7
189.00728	24.9
189.02344	2.8
190.98643	12.3
191.02158	1.7
193.00191	1.7
197.02983	4.5
199.04411	1.5
201.00710	75.7
202.98643	1.8
203.04021	5.2
207.01726	3.4
208.99753	1.7
211.04573	2.9
213.00659	4.6
213.02467	5.8
213.06354	1.7
214.98665	13.3
215.04051	4.1
216.97893	1.8
219.01764	49.4
227.04028	3.0
229.00253	1.5
231.01717	7.2
231.03627	4.7
232.99667	15.6
234.99113	2.6
237.02846	17.0
243.01733	26.7
243.03920	2.2
244.99661	3.9
245.05089	27.7
247.01309	4.7
249.02704	2.3
257.05090	3.1
261.02820	92.8
263.06213	3.4
265.02454	3.3
271.06732	1.9
273.02594	9.2
275.02493	11.0
275.06104	9.1
277.00082	2.2
279.03876	38.8
287.02539	3.9
289.02325	4.2
291.03845	16.7
293.07062	2.8
299.43588	1.6
302.05478	3.0
303.04120	2.5
305.03900	2.0
305.07040	3.7
307.03397	4.5
309.05069	1.9
317.01923	2.6
319.03296	3.2
321.04977	47.3
327.09299	1.8
333.04877	9.3
335.03009	8.1
337.04535	2.2
349.04260	2.3
351.06091	10.4
357.36649	2.0
359.04706	2.6
365.09137	2.2
377.05713	9.8
381.07086	13.9
395.06723	12.4
399.07950	10.2
427.07574	3.1
442.46027	1.7
497.08142	28.6
509.08456	2.6
539.09991	3.4
557.11578	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	557.1808
Annotation	Claussequinone-(4->5')-vestitol
Peak:m/z	Relative Intensity
67.05476	1.5
69.91288	5.1
69.91666	2.8
70.06590	1.4
75.81318	1.3
79.05512	1.4
79.32210	1.3
79.62145	1.2
80.76492	1.7
91.05481	4.0
105.07047	2.0
107.04948	3.8
115.05451	1.8
119.08567	1.6
121.06506	1.6
127.03937	1.6
142.93855	1.3
144.05711	5.0
145.06488	2.3
156.05693	1.9
158.07242	1.5
159.08018	4.7
161.05965	4.4
161.09619	4.0
163.07423	1.4
165.06944	1.5
172.05247	3.0
174.06725	2.1
175.07652	2.1
177.09088	3.5
185.05977	1.9
187.07494	2.2
189.09106	7.7
195.07988	2.3
201.05400	2.0
201.09181	3.6
208.05258	2.0
213.05487	1.5
215.07072	15.9
217.08615	11.9
225.09065	2.8
229.08632	2.7
235.07526	1.6
238.06319	1.5
241.08661	3.2
243.06511	2.1
243.10060	2.7
245.05949	4.0
249.05487	8.0
251.07056	18.0
252.07704	1.4
257.08060	1.9
261.05438	3.1
263.06946	4.9
267.06528	5.7
271.09686	2.6
273.07404	1.8
275.09222	9.2
277.08527	2.7
279.06445	7.1
281.07904	2.1
287.09390	2.0
289.04865	1.7
291.06613	12.6
291.09573	2.5
295.05930	2.3
303.06503	3.3
307.06113	9.1
317.08051	1.3
359.10562	1.5
371.10757	1.8
375.10327	3.1
376.68115	1.5
387.09985	3.0
389.11969	2.8
390.12909	2.5
391.13196	1.4
399.10281	2.2
403.09592	7.2
404.10339	4.0
407.12573	2.1
415.09573	4.5
417.11469	8.3
418.12012	3.7
419.12756	2.8
420.09576	2.4
421.10596	3.4
423.16183	1.8
429.11075	2.6
430.12119	2.1
431.08902	2.2
432.09656	3.4
433.09735	2.7
433.14423	5.8
435.12280	3.5
436.12723	1.9
445.10840	20.0
446.11536	7.9
447.12216	9.1
448.13373	2.1
450.14935	2.3
451.15363	4.2
457.10846	2.3
461.14542	8.0
462.14496	1.7
463.11740	4.2
464.12643	8.2
474.10974	2.3
475.11502	4.5
476.12613	14.2
478.14005	5.2
479.14975	25.3
480.15317	2.6
483.17664	2.6
489.13272	9.5
492.12134	3.3
493.16373	6.7
494.13266	2.6
497.15973	10.5
506.13474	4.0
507.14432	100.0
508.15112	7.1
511.17398	10.8
521.15979	34.1
522.16217	2.8
524.14484	5.8
525.15527	7.4
539.09277	2.7
539.17023	45.0
557.18011	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	557.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.2
54.43873	3.4
55.01862	6.2
55.05510	30.3
57.03429	9.6
57.07074	8.0
57.20503	2.7
59.05009	5.0
65.03934	3.5
67.05506	53.9
68.47073	2.9
69.07072	23.3
71.04993	5.1
71.08619	5.9
71.51364	4.2
72.01531	2.6
77.95894	2.9
79.05500	39.0
81.03425	5.3
81.07061	52.7
83.05012	4.3
83.08621	13.2
85.06580	3.4
91.05482	48.5
93.07047	48.1
95.04970	7.8
95.08612	40.0
97.06509	5.0
97.10170	5.4
103.05570	2.9
105.06390	4.8
105.07031	42.1
107.04942	6.9
107.08609	23.5
109.06534	4.4
109.10153	10.3
117.07024	22.4
119.08601	30.3
121.10154	12.5
125.09647	7.2
128.06238	5.5
129.07030	22.8
131.08565	33.8
133.10133	25.8
135.11690	12.4
137.57639	2.7
141.06982	8.5
143.08577	28.0
145.10121	33.2
147.08041	4.3
147.11684	22.9
149.13272	6.1
153.06950	5.4
155.08588	20.3
156.09225	3.9
157.10175	22.7
159.11687	21.3
161.13281	9.6
167.08571	4.6
169.10118	32.3
171.08125	3.2
171.11664	23.3
173.13271	14.0
175.14845	4.4
181.10141	11.8
183.11702	16.3
185.13271	15.5
187.14803	6.2
193.10201	6.1
195.11742	16.8
197.13286	16.8
199.14856	10.8
201.16409	4.3
207.11682	5.9
209.13261	11.6
211.14880	8.3
213.16370	15.7
221.13275	5.9
223.14787	5.8
225.16452	4.5
227.17877	3.5
235.14783	4.7
237.16231	4.0
239.23790	3.9
241.19485	6.5
247.16904	5.3
251.17986	2.9
259.20587	12.9
279.15857	5.0
281.17432	5.6
281.22205	3.0
313.27319	12.5
321.22128	4.4
323.23352	5.2
333.24237	4.7
353.24579	3.6
419.33075	5.1
429.31195	8.9
437.34076	10.8
447.32626	27.5
448.33261	3.3
461.15628	3.1
465.33743	36.4
483.34634	20.9
484.18344	3.5
521.35925	10.7
529.38666	8.5
539.29364	5.4
539.37372	100.0
540.37488	4.1
557.29584	9.1
557.38239	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67312	2.4
54.28078	2.2
55.05507	7.8
57.03461	2.4
57.07061	4.9
62.25287	2.4
64.99379	2.2
67.05513	20.4
69.03133	2.8
69.03439	27.1
69.07076	9.8
69.49224	5.8
69.49641	11.1
73.06573	3.0
79.05486	8.2
81.07069	22.7
83.05007	3.1
83.08617	5.0
85.06568	3.3
91.05478	10.5
93.07064	13.4
95.04986	20.5
95.08622	27.7
97.10194	2.9
99.08083	3.1
105.07051	17.4
107.08597	21.3
109.06563	2.8
109.10164	18.7
111.08091	3.0
117.06985	2.5
119.08582	19.6
121.06528	2.9
121.10178	19.1
123.08073	8.8
123.11707	9.7
125.09621	4.9
129.07112	3.1
131.08574	12.4
133.10155	17.6
135.08055	7.0
135.11714	9.1
137.09607	5.5
143.08569	5.1
145.10129	13.1
147.11708	10.8
149.09627	3.8
149.13316	6.6
151.11223	2.9
155.08604	4.1
157.10147	9.7
159.11690	14.5
161.13298	21.8
163.14880	3.0
169.10170	5.9
171.11714	9.2
173.13275	11.8
175.11206	2.6
175.14857	2.9
177.12834	2.9
181.10236	2.4
183.11696	8.0
185.13283	10.1
187.14861	12.2
189.12726	3.5
189.16422	6.6
195.11565	3.1
197.13338	7.2
199.14851	9.0
201.16315	5.4
203.14365	4.1
203.17921	2.4
209.13338	5.3
211.14821	7.2
213.16423	4.9
217.19630	2.7
223.14890	3.1
225.16397	8.1
227.17992	11.6
229.15923	3.5
231.17494	3.4
235.14745	3.5
237.16335	2.9
239.17928	5.7
245.19124	11.3
253.19595	3.3
257.19006	7.3
259.20648	7.3
265.19684	4.2
271.20630	3.1
283.20557	5.1
295.20911	4.2
295.24188	10.3
309.21994	3.3
311.23709	12.6
313.25305	44.0
321.22150	2.7
337.25278	9.2
339.26825	6.5
351.26904	4.1
363.26758	12.9
381.27945	100.0
383.29300	2.6
409.61923	2.7
417.31317	4.3
426.33795	4.4
435.32736	10.3
453.33850	15.0
498.39417	7.0
558.42279	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	3.0
53.03936	10.7
55.01864	4.3
55.05511	33.7
57.03435	14.4
57.07061	3.4
65.03939	4.0
67.05507	98.1
69.07066	23.4
69.27155	19.2
69.27584	10.2
71.04990	4.7
79.05494	98.3
81.03403	10.5
81.06593	5.5
81.07055	92.5
83.04993	9.6
83.08620	12.5
85.02862	2.8
91.05484	75.4
93.07047	100.0
95.04962	17.8
95.08611	60.8
97.06518	6.2
97.10176	8.0
104.12637	3.1
105.07030	50.7
107.04982	8.5
107.08599	40.5
109.06486	7.6
109.10138	23.2
115.05450	5.0
117.07009	14.2
119.08578	34.1
121.10162	21.2
123.08102	7.2
123.11671	7.5
129.06984	20.9
131.08553	17.8
133.10123	22.1
135.11740	14.9
137.13252	3.1
143.08565	10.3
145.10132	17.5
147.11679	39.6
149.13231	7.4
155.08533	5.3
157.10126	6.1
159.11731	14.4
161.09583	5.0
161.13257	11.6
169.10059	4.8
171.11687	29.9
173.13216	9.8
177.12785	3.2
183.11678	3.2
185.13220	6.9
189.12750	12.2
195.11621	3.4
197.13214	4.0
199.14703	4.8
207.13789	22.8
243.21118	4.6
261.22089	12.0
279.16034	4.4
281.17511	44.2
335.25821	51.0
437.20908	3.9
449.34100	5.3
467.35394	5.5
541.38861	82.2
559.31818	4.4
559.39642	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	559.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.5
55.01879	6.1
55.05510	31.3
55.86913	2.7
57.03419	12.6
57.07071	3.8
65.03927	8.3
67.05510	100.0
69.03425	3.1
69.07062	24.7
69.92467	14.0
73.06511	3.7
79.05497	92.5
81.03396	8.1
81.06593	5.7
81.07062	99.5
83.04984	15.8
83.08606	10.2
85.06532	4.9
91.05480	61.7
93.06485	6.2
93.07050	95.2
95.04981	21.4
95.08607	63.7
97.06536	9.1
97.10175	6.8
105.04475	3.8
105.07038	50.7
107.04946	5.5
107.08599	34.5
109.06516	4.0
109.10153	27.9
111.08053	3.0
117.07047	18.1
119.04939	2.8
119.08588	30.3
121.06535	3.7
121.10153	21.0
123.08076	4.8
123.11639	4.1
126.97774	3.0
128.06279	4.4
129.07022	17.5
131.08568	23.1
133.10153	17.8
135.11697	16.0
141.06972	3.9
143.08582	11.3
145.10135	19.7
147.11700	40.8
149.13235	5.1
155.08492	4.6
157.10130	7.9
159.11694	7.6
161.09619	4.2
161.13251	15.3
163.14873	4.3
169.10080	4.3
171.11714	19.9
173.13197	5.1
183.11751	3.7
187.14854	4.5
189.12733	12.9
207.13773	21.5
213.69373	3.1
243.20999	4.5
259.54028	2.7
261.22156	12.4
279.15994	5.6
281.17456	57.6
335.25778	32.9
341.59506	2.9
395.63095	3.1
415.06256	3.0
467.35281	5.7
485.36340	4.8
541.38892	52.3
559.40405	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	559.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
54.54911	2.0
55.05521	17.7
57.07070	9.8
60.56825	2.1
65.03930	4.4
67.05183	3.1
67.05511	39.3
69.07071	37.9
70.96089	4.4
71.05002	3.3
79.05502	26.0
81.07061	100.0
83.08627	15.5
83.09035	3.0
91.05482	30.2
93.07053	59.8
95.05001	3.9
95.08617	87.2
97.06559	4.0
97.10168	8.7
105.07033	46.5
107.07887	3.5
107.08603	62.6
108.51228	2.3
109.06514	4.5
109.10163	49.3
111.08096	3.7
111.11715	3.9
117.07020	9.2
119.08591	56.5
121.06569	2.5
121.10156	48.1
123.11719	27.8
125.09630	2.7
125.13215	2.2
129.06990	4.0
131.08603	19.8
133.10135	33.0
135.11700	29.6
137.13240	10.3
141.07050	2.1
142.07697	3.3
143.08574	7.5
143.79596	3.0
145.10129	29.2
147.11694	30.7
149.09625	4.6
149.13289	29.5
149.88760	2.4
151.11240	3.6
151.14848	2.5
157.10216	13.4
159.11693	26.8
161.13272	21.0
163.14830	16.0
165.12756	2.9
169.10182	4.4
171.11749	13.2
173.13295	22.2
175.14861	16.7
177.12787	2.8
177.16409	9.5
183.11676	6.6
185.13309	10.1
187.14798	16.7
187.27231	2.0
189.16396	14.9
191.17972	3.6
195.11656	3.3
197.13214	5.4
199.14832	12.7
201.16443	14.3
203.17953	9.7
209.13298	3.2
211.14857	4.1
213.16467	6.1
215.17986	8.4
217.19565	7.0
223.14664	2.3
225.16428	3.0
227.18018	12.1
229.19560	7.4
231.20940	3.5
239.17935	3.3
241.19627	4.6
243.21175	2.7
253.19658	3.2
255.21136	6.6
256.26639	2.6
257.22437	2.9
269.22742	2.7
271.20462	3.7
271.24210	3.1
283.24185	2.3
292.68906	2.2
295.24310	3.8
309.25702	2.5
325.28906	2.8
337.28549	2.5
351.30524	2.8
391.33340	2.7
498.63507	2.2
541.47913	14.9
559.41412	3.8
559.48926	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02972	22.3
55.05530	30.8
66.46192	22.4
67.05499	75.5
69.57059	100.0
69.57462	54.5
79.05480	38.0
81.07061	72.4
83.08662	28.0
91.05481	39.3
93.07020	28.9
95.08611	42.8
98.20724	30.1
105.07082	23.0
106.15354	22.4
107.08614	50.1
109.10187	39.3
110.47005	23.8
127.98265	21.9
135.11707	22.8
135.96219	24.8
140.14659	26.2
159.11737	31.7
219.23792	24.0
243.21164	39.1
261.22183	90.6
275.38483	23.0
289.42038	23.7
319.97665	22.9
335.25787	42.2
353.26767	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	560.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.8
56.10024	14.7
67.05503	100.0
69.07055	35.6
71.51612	14.9
74.09723	40.0
75.56828	15.6
79.05493	40.3
81.07053	58.4
91.05460	22.5
93.07052	60.2
95.08607	49.4
98.87392	14.3
105.07045	31.9
107.08606	26.0
109.10172	31.1
119.08583	20.2
121.10172	33.5
123.11671	15.0
131.08585	20.1
135.11667	32.0
142.03397	16.0
163.14738	17.6
243.20999	18.5
261.22168	79.8
292.19843	35.7
342.55447	16.9
353.26947	26.4
542.35748	16.0
560.36639	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.6
57.03419	1.3
57.07058	1.1
63.02372	0.7
64.33061	0.4
65.56492	0.4
67.05506	2.6
69.07072	2.5
79.05481	1.5
81.07060	3.2
83.08607	1.1
89.03920	5.4
91.05482	1.0
93.07075	2.0
95.08602	2.8
97.06564	0.4
97.10194	0.7
105.07015	0.7
107.08620	1.1
109.10178	1.1
117.03389	16.3
117.62641	0.4
119.08568	0.8
121.10168	0.7
133.10097	0.5
134.03625	1.2
135.04407	1.2
135.11726	0.5
137.13300	0.6
145.02858	42.8
149.06020	4.8
149.13277	0.8
162.03090	0.4
163.03967	0.8
177.05482	100.0
178.05888	0.5
186.05545	2.4
195.06602	1.9
241.05086	0.4
251.09087	0.6
277.99963	0.4
283.60889	0.5
335.33533	0.4
367.32114	0.4
561.24487	0.5
561.37671	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	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
55.01874	2.3
55.05513	23.5
57.03438	3.7
57.07073	2.4
59.05012	2.0
61.02932	1.6
65.03618	1.1
65.03941	4.3
67.05508	79.1
69.03432	2.8
69.07072	17.2
71.02081	2.7
71.04995	56.8
73.60870	1.1
77.03895	1.5
79.05497	57.6
81.03436	1.6
81.07062	100.0
83.04994	11.8
83.08617	9.4
84.09956	0.9
85.06564	5.5
91.05486	61.8
93.07049	60.1
95.04980	8.7
95.08612	33.6
97.06557	8.3
97.10165	2.9
101.06064	1.3
103.05530	1.3
105.04556	2.8
105.06316	1.2
105.07036	32.3
107.08602	33.9
107.09307	2.3
109.06545	3.7
109.10162	15.6
111.08077	2.1
117.07039	11.7
119.08596	12.5
121.10148	24.7
123.08059	1.1
123.11710	17.0
123.12584	1.3
125.09701	1.5
129.07037	1.2
131.08586	13.0
133.10132	28.1
133.11089	1.7
135.11691	12.8
137.09682	1.5
143.08574	2.1
145.10117	7.4
147.11673	5.7
149.09651	1.2
149.13266	14.6
151.11191	17.4
153.57947	1.0
159.11694	11.6
161.13274	4.9
163.14865	1.8
165.12897	1.3
169.12271	1.4
173.13278	4.0
175.14827	1.4
177.12808	3.7
183.13809	19.4
183.15332	1.3
185.13283	1.5
187.13335	2.4
187.14813	1.4
195.13794	5.7
213.14674	1.2
227.16414	1.8
253.18163	1.3
257.17569	2.9
259.20688	1.1
261.22180	4.2
269.17377	2.4
283.19217	3.5
285.17059	6.3
317.25070	1.5
335.25815	1.2
361.27298	2.1
363.25406	3.1
375.18942	1.1
437.34326	1.3
485.35941	2.0
517.38892	23.5
529.38959	14.2
561.41541	68.7
562.40955	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.5
53.03954	5.7
54.84067	0.8
55.01875	2.4
55.05513	19.1
57.03439	2.9
57.07070	3.5
59.04998	1.3
65.03937	3.8
67.05508	82.3
69.03426	2.5
69.07075	18.1
71.04998	54.0
71.08628	1.0
77.03940	1.4
79.05500	62.1
81.03416	1.3
81.07061	100.0
83.04996	9.7
83.08631	9.7
85.06538	5.3
87.04491	1.5
91.05486	64.3
93.07050	63.9
95.04986	7.3
95.08614	33.8
95.93641	0.8
97.06556	7.0
97.10159	2.9
98.20679	1.3
99.08109	1.0
103.05460	1.0
105.04542	2.8
105.06313	1.3
105.07037	30.8
107.08604	34.2
109.06525	3.2
109.10158	13.7
111.08084	5.1
117.07022	10.9
119.08585	12.9
121.10159	21.1
123.08056	1.7
123.11723	19.7
129.07028	2.6
131.08578	13.7
133.10138	31.6
133.11093	1.9
133.56508	0.9
135.11700	14.9
137.09616	1.0
143.08542	1.4
145.10172	6.5
147.11687	6.3
149.13286	11.9
151.11200	15.8
153.12753	1.0
157.10234	1.1
159.11690	13.2
161.13275	4.6
163.14868	1.6
164.69640	0.9
165.12723	1.2
167.14359	0.9
169.12196	1.1
173.13324	4.4
175.14937	1.3
177.12790	3.8
183.13812	19.5
183.15366	1.5
185.13205	1.3
187.13278	2.9
187.14839	2.1
195.13876	4.4
207.72720	0.9
213.14874	1.3
227.16446	1.2
229.45616	1.4
233.89034	1.0
250.05367	1.0
257.17542	3.1
259.20682	1.2
261.22171	5.0
269.17496	2.3
283.19131	3.7
285.16864	5.1
317.25000	1.2
335.25748	2.2
343.26608	1.1
349.27280	1.4
361.27390	1.3
363.25366	3.3
437.33813	1.1
443.16351	1.0
517.39026	24.3
517.46747	1.4
518.39587	1.4
529.38910	8.5
561.41498	63.5
562.41479	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55065	1.3
51.02382	2.0
53.03951	7.1
55.01861	2.6
55.05271	2.0
55.05517	24.5
57.03431	3.3
57.07072	2.9
61.02922	1.2
65.03945	6.1
67.05511	88.4
69.03423	2.7
69.07075	20.0
69.12999	1.1
71.05001	53.3
71.20407	1.9
71.20737	2.0
74.15669	1.2
77.03918	2.1
79.05499	60.5
81.03429	2.5
81.07063	100.0
83.04989	10.4
83.08614	10.7
85.06102	1.3
85.06555	7.3
91.05489	62.1
93.07051	61.3
95.04986	7.1
95.08614	39.9
97.06519	9.5
97.10181	4.4
99.08109	2.4
103.05464	1.2
105.04555	2.3
105.07043	37.7
107.04989	1.5
107.08608	33.0
109.06502	3.5
109.10171	16.5
111.08104	3.2
116.84477	1.2
117.07031	10.4
119.08587	16.8
121.10152	25.0
123.11710	19.5
125.09661	2.2
129.07045	3.6
131.08582	16.9
131.09511	1.6
133.10143	34.9
135.08055	1.6
135.11711	16.3
135.20337	1.1
143.08539	2.2
145.10126	10.2
147.11720	8.0
149.09673	1.5
149.13271	15.0
150.77933	1.1
151.11214	13.7
157.10153	2.3
159.11714	14.5
161.13237	7.1
163.11244	1.3
163.14854	2.4
171.11743	3.1
173.13310	4.9
175.14848	2.3
177.12776	4.8
179.14380	2.0
183.12025	1.8
183.13818	15.3
183.15308	1.6
185.13399	2.2
187.13313	2.7
187.14876	2.9
195.12233	1.1
195.13766	5.4
197.13188	1.4
199.14851	1.3
201.14838	1.4
201.16510	1.6
222.27832	1.2
227.16452	2.4
253.18048	2.5
257.17548	2.8
259.20837	1.7
261.22217	4.1
269.17557	2.0
283.19080	4.0
285.16986	3.6
291.33090	1.2
317.24936	1.9
335.25848	1.2
349.27524	1.5
361.27658	2.8
363.25449	2.7
419.32874	1.3
437.34174	2.9
455.35626	1.5
511.38370	1.7
517.39008	23.6
529.38898	24.7
544.25537	1.3
561.41547	68.3
562.41327	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27153	2.9
53.03951	3.2
55.01877	5.1
55.05517	20.1
57.03425	4.6
67.05509	19.9
69.03435	11.9
69.07072	24.1
70.10574	13.2
71.05002	4.1
79.05509	20.9
81.03432	25.1
81.07070	18.7
82.03778	4.7
83.04983	5.4
83.08624	6.8
85.02908	5.8
91.05487	32.2
92.05843	8.1
93.07043	15.9
95.05003	8.7
95.08634	7.4
97.02908	13.6
97.06549	6.5
97.10168	13.1
98.20903	4.4
99.04491	3.4
103.05483	3.0
105.07007	15.6
107.04977	10.3
107.08634	12.1
108.47897	3.7
109.02859	20.1
109.06592	4.8
109.10159	9.3
115.05363	3.0
117.07079	9.0
119.08606	12.4
121.06528	2.8
121.10172	3.6
123.08109	4.9
125.09657	11.8
127.03921	24.0
128.04266	9.8
129.07018	4.1
131.08601	6.6
133.06558	4.8
133.10120	3.7
133.76183	3.0
135.08070	4.1
143.08591	5.3
145.10130	6.6
147.04399	4.2
147.08031	4.7
147.11682	6.8
149.09573	3.1
159.11708	6.3
161.06010	6.5
162.06244	3.5
171.04428	4.1
171.09984	3.1
193.12352	3.5
207.29424	2.9
223.13341	16.0
223.15199	2.9
227.12878	4.1
234.76057	2.9
249.15131	4.1
267.16086	4.3
273.18491	9.8
285.17035	4.2
291.19553	94.6
365.23209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99199	10.8
61.85476	8.4
67.05505	25.7
71.50896	10.1
71.51304	14.3
79.05505	18.6
81.07054	58.9
82.07370	9.3
91.05486	32.5
93.07024	23.4
95.23269	9.0
107.08617	27.1
107.70492	13.5
109.06550	17.0
109.10174	12.7
119.08590	15.3
121.10117	16.7
131.08566	18.1
133.10159	20.6
135.08037	10.3
135.11693	11.8
157.10147	16.5
159.11772	23.4
165.32497	10.3
213.81956	10.2
214.40253	9.1
232.20985	10.4
395.26028	11.6
413.26886	100.0
555.07886	10.3
563.16577	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.2
55.05503	10.2
57.03428	6.7
61.02920	3.3
65.56187	2.3
67.05523	24.2
69.03434	2.8
69.07069	15.5
70.66394	5.1
71.04991	2.9
79.05495	24.5
81.03417	5.2
81.07061	67.6
83.05000	3.3
83.08623	11.1
85.02901	4.9
85.06563	3.4
91.05489	22.3
93.07045	24.4
95.04987	6.7
95.08622	18.7
97.06532	9.0
97.10152	5.1
98.01736	2.6
99.08102	3.4
105.07043	24.0
107.04980	9.5
107.08591	16.0
108.91999	2.6
109.02895	3.5
109.06519	19.3
109.10146	7.6
111.08102	4.3
117.07010	5.3
119.08607	17.2
121.10162	11.6
123.08090	2.5
123.11723	7.5
129.07005	3.7
131.08580	9.8
133.10135	13.6
135.08086	3.3
135.11665	5.2
137.05959	3.2
137.09659	2.8
141.68451	2.4
145.10150	7.9
147.11707	11.5
149.09671	5.9
149.13271	7.3
157.10205	2.6
159.11681	5.7
161.13330	2.3
163.11203	4.1
173.13318	3.2
177.12718	4.3
183.07950	3.0
247.20729	2.7
255.15845	3.9
257.18942	4.0
269.17548	9.4
275.20087	30.6
293.21170	7.8
334.13004	3.1
349.23779	78.3
350.90448	2.4
367.24823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67269	7.6
57.03455	9.4
58.29158	9.1
62.79264	8.5
62.80670	9.7
67.05505	16.9
69.03429	10.0
69.07069	12.9
70.06579	19.2
70.22711	16.4
70.23061	26.9
71.05006	55.6
79.05508	19.5
81.07057	36.4
83.04984	10.0
85.02914	100.0
91.05471	19.4
93.07037	33.1
95.08612	38.2
98.20822	12.1
99.04486	10.2
105.07034	49.7
107.08566	49.2
109.10166	30.7
119.08587	30.1
121.10155	17.1
123.11721	10.1
127.03931	9.6
129.05492	34.3
133.10123	18.7
135.11720	9.9
135.99402	8.2
147.04523	10.4
147.06482	15.8
147.11693	17.2
154.08646	21.8
163.07527	8.8
199.18471	8.6
203.17996	40.8
341.76129	8.6
355.15131	9.3
390.94370	10.2
445.52698	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	564.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03957	0.9
55.01879	0.2
55.05509	0.4
55.32544	0.2
60.77754	0.2
66.27497	0.2
67.05495	0.8
68.05780	0.2
69.07074	0.4
77.03922	0.3
79.05505	1.7
79.05933	0.3
80.73347	0.2
81.07055	0.9
82.07410	0.2
83.04968	0.2
83.08614	0.2
85.02914	0.3
89.47720	0.2
91.05465	0.4
93.07047	0.6
94.07380	0.2
95.04985	1.1
95.08635	0.5
97.06535	0.4
105.04519	0.6
105.07016	0.9
107.04962	100.0
107.08613	0.6
108.05299	0.6
108.08953	0.2
109.10180	0.3
117.07089	0.3
119.08582	0.6
120.08912	0.3
121.10149	0.4
131.08551	0.2
133.06569	0.2
133.10146	0.5
143.08569	0.3
145.10086	0.3
155.10683	0.3
156.09433	0.2
157.10150	0.3
159.08017	0.2
171.11710	0.4
173.13246	0.2
180.08743	0.2
181.09972	0.2
181.12328	0.2
195.11641	0.3
207.11729	0.2
209.13252	0.2
221.13280	0.2
235.83893	0.2
299.70630	0.2
367.26566	0.3
396.27893	0.3
564.39185	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1555
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
50.31683	1.0
55.05508	1.5
57.03441	2.3
58.58746	1.2
61.02930	1.1
69.03429	2.7
69.93793	5.1
70.06585	2.1
71.04999	10.6
72.08161	1.1
73.02920	3.1
74.54717	0.9
81.03442	1.3
83.04963	2.7
84.08167	1.1
85.02907	15.2
86.09698	2.1
91.05492	1.5
91.59573	0.9
95.04997	1.2
97.02893	5.3
102.67159	1.1
103.05460	1.2
105.70174	0.9
107.04980	2.9
111.04476	1.8
115.03893	2.0
120.08142	1.2
121.02854	3.0
127.03915	1.5
129.05511	4.1
131.04962	5.3
137.02409	1.2
137.05994	1.7
147.04364	1.2
147.06464	1.9
153.01842	4.3
153.74011	0.9
163.03854	1.2
165.01897	1.2
167.07042	3.1
181.05009	1.0
182.51727	1.1
191.14378	0.9
204.06743	1.4
241.04947	1.3
267.19965	1.1
287.05524	100.0
288.06003	1.3
299.05457	3.3
329.06723	2.1
337.07278	1.1
353.06702	1.3
365.36179	1.0
383.07565	2.9
419.09811	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	565.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
55.01875	7.1
55.05511	5.0
57.03433	8.9
57.07084	4.2
59.37593	2.7
61.02918	3.1
67.05502	6.0
68.99797	3.2
69.03442	22.5
69.07076	5.5
69.53883	17.9
70.06583	15.4
71.04997	27.0
72.08159	3.6
73.02917	3.3
75.04477	2.9
79.05043	2.3
79.05479	12.0
81.03429	25.4
81.07056	18.0
81.07737	2.4
83.04978	13.8
84.08150	6.7
85.02913	71.3
85.06540	3.4
86.09723	5.9
87.00839	19.7
87.04442	2.6
89.70464	2.4
91.05484	14.4
93.07058	17.4
95.04970	9.3
95.08599	7.8
96.08114	2.5
97.02908	19.2
97.06541	9.4
99.04454	11.3
103.05466	43.9
105.01895	14.6
105.04527	2.8
105.07031	19.8
107.04962	29.9
107.08596	12.8
109.02883	21.0
109.06517	6.2
109.10123	5.3
111.04431	11.0
117.07009	4.0
119.04967	4.5
119.08579	11.2
120.08092	5.2
121.06487	4.3
121.10120	7.0
123.08090	10.2
124.65733	2.4
127.03933	32.4
129.05495	8.8
129.06989	2.8
129.10248	5.7
131.04941	100.0
131.08586	2.8
133.06514	6.3
133.10129	9.2
135.08101	4.0
135.11690	11.7
137.06000	8.6
137.09616	11.0
137.13295	4.0
139.03943	4.7
139.11136	4.4
145.04941	7.1
145.10167	4.3
147.04503	4.3
147.11699	5.4
149.05975	5.4
149.09633	5.8
151.03915	8.3
151.07507	3.1
151.11145	3.5
153.12762	29.2
159.02910	3.4
159.08073	5.3
159.11745	3.6
161.06021	3.5
163.03874	2.9
163.11148	6.3
165.05501	2.9
165.12762	5.1
167.07071	11.6
169.66866	2.7
173.09644	2.8
175.07466	2.7
175.11227	5.1
177.09116	3.2
177.12726	6.3
181.04916	3.5
187.07643	3.4
189.12766	2.6
189.43707	2.5
191.14432	6.6
193.12334	2.6
209.15393	5.0
213.03900	4.2
219.13786	3.3
231.05043	5.8
237.07677	2.6
241.09009	2.3
245.15456	4.9
257.08261	5.3
263.16315	4.6
275.09177	4.1
281.17441	7.2
287.05368	3.3
299.18567	34.2
337.10703	5.3
339.12360	7.2
560.76526	2.8
565.20959	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	565.4044
Annotation	28380-31-6
Peak:m/z	Relative Intensity
53.03948	2.7
53.39285	1.1
55.05512	9.4
57.07076	3.4
59.04997	2.1
65.03943	2.5
67.05511	13.2
69.03428	3.9
69.07071	9.8
69.82084	3.4
79.05505	14.3
81.07061	19.6
83.04977	3.2
83.08630	4.7
85.06548	2.7
91.05484	25.5
91.06017	1.6
93.07050	26.4
95.04965	6.3
95.08618	22.8
97.06530	4.9
97.10174	1.2
103.05464	2.5
105.04545	1.3
105.07038	44.4
107.08601	28.9
109.06560	5.4
109.09035	1.0
109.10162	15.0
110.06389	1.0
111.08112	1.3
115.05472	3.6
116.06242	1.8
117.07039	11.7
119.08593	49.2
121.06496	2.4
121.10152	36.4
123.08067	8.2
123.11739	6.7
125.05984	1.2
125.09636	2.7
126.08794	1.0
128.06273	6.4
129.06998	8.8
130.07813	3.8
131.08583	16.9
133.06485	1.5
133.10143	32.4
135.08083	4.6
135.11711	11.7
137.09605	5.9
141.06993	5.1
142.07785	12.9
143.08571	21.2
144.09377	5.5
145.10133	31.7
147.08047	6.4
147.11691	12.4
149.09648	5.9
151.07602	3.1
153.07042	2.0
154.07803	3.1
155.08574	9.3
155.10631	1.4
156.09372	10.6
157.10143	32.2
158.10898	5.5
159.08090	2.5
159.11707	14.6
161.09607	2.6
161.13281	3.9
163.11221	4.6
165.07025	3.4
165.09114	8.8
166.07785	2.1
167.08604	6.7
167.10666	13.3
168.09369	3.4
169.10127	18.9
170.10945	6.4
171.11693	23.2
172.12480	1.3
173.09659	2.0
173.13254	16.3
175.11250	2.5
175.14766	5.1
177.12836	1.5
178.07840	2.4
179.08569	7.5
180.09393	4.1
181.10164	10.4
181.12270	3.5
182.10883	5.2
183.11693	14.3
183.12993	1.2
184.12494	3.2
185.13271	13.0
187.11276	1.6
187.14847	7.2
189.12753	3.5
189.16446	1.3
191.08670	1.5
191.14345	2.8
192.09361	3.8
192.11165	1.1
193.10175	11.0
194.10909	7.5
195.11729	13.0
196.12518	4.7
197.13283	14.3
198.14105	2.0
199.14818	8.9
201.12764	1.4
201.16380	3.5
203.14351	3.4
205.10112	4.1
205.15907	1.1
206.10979	5.7
207.11737	13.0
207.13777	1.9
208.12534	4.3
209.13278	16.9
209.15135	1.1
210.13884	2.5
211.11296	1.2
211.14864	9.5
213.12775	1.2
213.16472	5.0
215.14412	4.0
217.10165	3.3
217.15952	1.8
218.11086	2.0
219.11731	5.6
220.12473	5.3
221.13295	13.9
221.15448	16.1
222.14101	2.2
223.14853	10.8
224.15710	1.3
225.12846	1.5
225.16489	4.0
227.14081	1.1
227.17903	1.5
229.10118	1.9
229.15895	2.5
230.10878	1.4
231.11703	4.8
232.12569	3.0
233.13631	6.4
233.15100	6.5
234.14154	3.1
235.14787	7.8
237.16393	6.4
239.18004	3.4
243.11705	3.0
244.12686	2.3
245.13229	5.6
246.14098	4.1
247.14877	6.7
247.17055	2.0
248.15709	2.5
249.16550	4.7
251.17964	6.7
253.19563	3.9
257.13361	3.2
257.18991	1.9
258.14243	1.5
259.14893	5.2
260.15689	1.6
261.16327	6.1
262.17151	1.5
263.17911	5.2
265.19568	8.0
267.17578	1.1
269.13333	1.9
269.18985	1.5
271.14862	2.8
272.15607	1.7
273.16391	3.7
273.18985	1.5
275.17941	4.9
277.16498	1.0
277.19547	4.2
279.21237	2.3
281.19229	2.3
283.20688	2.5
285.16336	2.0
287.17877	2.1
289.19635	3.0
291.21051	2.8
295.20679	2.5
297.16547	1.3
299.17691	1.8
301.19427	1.7
303.21140	2.7
305.19077	1.2
307.20828	2.3
315.17667	1.4
315.21332	2.8
317.22751	2.0
319.24246	1.8
321.22311	1.1
329.22864	1.9
331.24304	4.1
335.23795	1.7
341.22684	1.5
343.24225	3.5
345.25748	1.6
350.22595	1.3
355.24084	1.2
357.25830	4.3
361.25272	1.9
365.24832	3.9
381.05447	1.1
383.27487	2.4
385.29068	2.5
407.28278	1.1
409.29153	1.5
411.26434	1.4
425.28458	2.1
465.31537	1.3
473.34259	6.8
485.34317	2.4
507.35779	1.8
509.34424	2.8
529.38373	1.7
547.39276	14.7
560.93213	1.3
565.40460	100.0
566.41235	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	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.9
55.05511	10.6
57.07072	9.3
61.14273	2.2
63.86158	1.9
65.03932	3.3
67.05502	20.7
67.93433	2.1
69.03436	3.9
69.07083	14.2
69.31496	16.6
79.05508	24.5
81.07059	27.2
83.04990	4.4
83.08628	4.2
85.06564	6.0
91.05482	37.7
93.07057	46.3
95.05001	5.7
95.08617	31.2
97.06545	4.9
98.21444	4.6
103.05471	4.2
104.44437	2.1
105.04523	3.1
105.06310	2.7
105.07038	69.1
107.08599	33.4
109.06536	7.9
109.10162	22.3
115.05471	5.9
117.07030	13.6
119.08596	72.1
121.06498	3.4
121.09328	3.8
121.10155	50.7
123.08092	8.9
123.11721	9.3
125.06050	3.0
125.09662	2.3
128.06197	10.6
129.07042	14.5
130.07803	8.9
131.08594	31.1
133.10144	39.5
135.08076	9.2
135.11708	15.2
137.09644	5.7
139.11214	2.4
141.07014	7.0
142.07793	17.9
143.08586	35.8
144.09352	5.3
145.10136	48.0
147.08112	11.2
147.11681	13.7
149.09689	3.2
149.13242	2.8
151.07527	7.3
153.07008	3.6
155.08580	18.0
156.09320	14.6
157.10143	41.1
158.10948	8.1
159.08099	3.0
159.11723	23.4
161.13278	5.9
163.11201	7.0
165.07011	8.4
165.09131	17.8
166.07819	4.0
167.08548	13.9
167.10713	9.5
168.09363	6.4
169.10139	29.2
170.10968	7.9
171.11720	31.3
173.13255	21.0
175.11232	5.2
175.14835	5.6
179.08575	12.8
180.09384	7.2
181.10104	13.5
181.12273	4.6
182.10942	7.9
183.11713	19.3
184.12512	3.8
185.13289	19.7
187.14853	6.1
189.12767	3.6
191.08701	2.5
191.14330	3.8
192.09395	5.4
193.10172	14.3
194.10895	7.4
195.11720	24.8
196.12492	7.2
197.13278	19.2
199.14880	10.5
203.08673	2.6
203.14415	7.2
205.10138	4.9
205.15897	2.4
206.10959	9.8
207.11749	18.5
208.12517	6.6
209.13269	20.1
210.14008	2.5
211.14850	12.8
213.16452	6.6
215.14398	2.6
217.10172	4.0
217.15872	3.3
218.10820	2.9
219.11771	9.5
220.12451	4.7
221.13293	13.5
221.15424	25.3
222.14140	3.1
223.14806	15.2
225.16507	4.2
229.10156	2.8
230.11031	4.7
230.88573	2.2
231.11688	6.5
232.12456	4.8
233.13300	11.3
233.15262	4.4
234.14172	6.2
235.14879	10.8
237.16446	6.8
239.17900	5.4
243.11720	3.4
244.12549	4.1
245.13423	5.1
246.14111	5.2
247.14925	6.8
248.15607	2.7
249.16476	6.3
251.18056	4.3
253.19508	3.6
257.13181	3.4
259.14932	5.7
260.15707	3.5
261.16458	7.1
262.16965	2.3
263.17926	8.2
265.19492	8.9
271.14719	4.0
273.16522	6.2
275.17987	8.0
277.19592	5.6
278.98587	3.0
282.27908	5.0
285.16272	4.1
287.17737	2.9
289.19461	5.7
291.20993	3.6
297.16403	2.6
299.17743	3.4
301.19473	5.3
310.31116	4.8
315.21265	3.9
317.22687	3.3
329.22806	4.2
331.24390	4.9
339.20917	2.5
357.25848	4.5
365.24582	3.1
411.27164	2.3
459.32538	2.9
473.34018	10.4
485.33817	2.9
547.39264	11.7
565.40442	100.0
566.41095	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	566.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.01863	2.2
55.05503	2.7
57.03434	3.6
57.07076	2.6
61.02925	1.0
65.03945	1.5
67.05514	6.1
68.99796	1.0
69.03442	8.9
69.07061	2.9
69.46928	6.8
70.06584	3.6
71.04603	1.1
71.04995	20.5
71.23537	0.7
72.08155	1.3
73.02898	1.8
73.52512	0.8
75.04458	1.0
78.04704	1.2
79.05492	10.6
81.03426	8.3
81.07062	100.0
83.04981	6.7
84.08134	1.6
85.02909	40.2
87.00822	6.4
87.04497	0.9
88.82668	0.9
91.05471	5.2
92.05812	1.1
93.07049	2.1
95.04967	3.0
95.08616	19.9
97.02894	5.9
99.04447	2.5
103.03935	2.1
103.05473	3.2
105.01880	12.0
105.07061	1.6
107.04981	4.1
107.08587	1.5
109.02893	8.4
109.10149	1.9
111.04443	11.0
113.06065	0.9
115.05460	1.3
117.07046	0.9
119.04974	1.5
119.08652	0.8
121.06494	1.6
123.04426	3.1
127.03924	16.2
129.05470	10.7
131.04915	2.3
133.02873	5.2
133.06479	1.3
133.10088	1.3
134.03120	1.0
135.04373	1.6
136.74304	0.8
137.05992	6.7
137.13269	22.8
138.06392	1.1
139.03906	1.5
145.04973	5.0
145.06357	0.8
147.06575	4.8
149.05984	1.5
151.03915	2.8
151.07526	1.6
153.05441	2.0
159.02937	1.5
161.05989	2.9
162.06314	1.2
163.07458	1.1
164.09190	3.7
165.05476	1.3
167.07047	13.8
168.07379	6.1
173.05994	1.1
177.05482	1.3
181.04994	3.9
182.05367	1.5
189.03957	3.1
191.06949	3.9
192.07436	1.7
203.07037	1.1
209.08116	1.4
213.03957	2.5
213.07536	0.9
218.14709	1.0
231.04951	4.0
231.08630	0.9
235.09464	1.1
237.07532	5.1
241.08517	1.1
249.06187	1.6
255.08632	2.0
315.10690	1.5
319.27902	0.9
330.10641	1.4
340.12650	1.2
341.08664	2.1
359.09698	3.5
377.10571	1.6
386.13080	1.8
499.62735	1.0
566.21234	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01878	0.7
55.05499	1.2
57.03439	2.3
57.07075	1.4
60.92749	0.4
61.02918	0.5
65.03944	0.5
67.05495	3.6
68.99766	0.4
69.03437	4.1
69.07070	2.7
69.57534	0.9
69.57954	2.0
71.04602	0.6
71.04996	9.7
73.02922	1.4
75.04479	0.6
79.05489	6.8
81.03423	4.3
81.07060	100.0
83.04986	4.5
85.02911	22.6
86.51197	0.4
87.00839	4.4
87.04482	0.5
90.64172	0.4
93.07059	1.1
95.04955	1.1
95.08616	14.3
97.02895	4.1
97.72350	0.4
99.04456	1.6
102.78844	0.4
103.03952	1.1
105.01868	6.7
109.02885	5.8
111.04445	4.8
123.04440	0.7
125.02402	0.7
127.03918	9.7
127.04809	0.6
129.01846	0.9
129.05487	4.5
137.06013	0.7
137.13263	23.9
139.03899	0.9
145.04953	2.3
147.02875	0.8
147.06517	2.2
149.05980	0.8
151.03917	0.8
153.05511	0.5
154.15926	1.0
157.05089	0.5
159.02951	0.9
161.06119	0.5
164.09235	1.1
167.07143	0.6
171.06557	1.0
181.05049	1.0
189.03893	2.5
191.07152	0.7
193.05031	0.4
213.03966	1.9
213.07556	0.9
215.05608	0.4
231.05055	3.0
231.08629	0.5
237.07567	2.8
249.06087	1.2
255.08696	2.2
273.06140	0.5
315.10809	1.8
320.17081	0.4
341.08856	2.0
359.09665	2.4
377.10953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72379	1.2
53.03939	4.3
55.01864	5.9
57.03439	3.2
61.02921	5.8
65.03944	1.9
67.93675	1.3
68.99796	4.8
69.03428	11.5
71.01344	1.4
71.06212	2.9
73.02929	3.5
81.03436	8.6
85.02909	31.5
87.04467	1.5
91.03956	2.1
91.05490	1.5
95.01330	2.1
95.04961	4.0
97.02896	10.9
99.04472	2.7
107.04963	100.0
109.02882	7.0
111.00831	1.5
119.03425	4.4
119.04943	7.0
121.02875	14.0
121.06449	1.7
123.04420	14.0
127.03930	7.7
131.04913	3.5
133.06430	1.3
135.04436	2.9
137.02335	6.1
139.03902	23.9
145.04927	3.9
146.06017	2.1
147.04396	6.5
149.02357	3.2
151.03920	31.8
153.01816	2.2
157.06467	3.5
158.27269	1.3
158.97298	1.2
159.04327	1.3
161.05977	2.5
163.02592	1.6
163.03931	22.9
165.01846	36.1
165.05516	1.3
165.06978	1.3
167.03336	6.2
169.38297	1.3
171.04362	1.5
171.16905	1.8
173.05946	2.4
175.04005	3.1
177.05492	4.4
179.03363	9.6
181.04965	4.3
183.08176	1.7
185.05986	3.5
187.03911	2.2
189.01862	1.5
189.05487	5.7
191.03416	16.0
193.04953	4.7
193.94899	1.4
195.02888	3.2
201.05394	2.9
203.03362	2.6
205.04913	8.4
207.02887	4.1
209.04485	8.4
213.05521	1.3
215.03377	3.6
215.06958	2.2
217.04958	11.4
221.04465	3.7
227.07233	1.7
229.04973	4.8
231.06506	2.4
233.04460	16.4
235.06009	8.7
239.07167	2.3
245.04430	6.3
251.05521	5.3
253.06960	1.7
255.06442	9.1
257.05569	1.1
257.08105	8.7
263.05502	11.0
267.06638	3.7
269.06329	4.8
269.08124	10.1
273.07562	4.0
275.05508	2.8
277.07492	1.3
279.06320	1.6
281.06256	11.8
293.06638	3.8
295.05994	3.0
297.07516	7.3
309.07428	2.4
323.09052	2.6
327.08688	5.3
351.08682	15.8
369.09695	24.3
387.10730	29.7
405.11777	19.9
411.10614	2.5
429.12048	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30277	0.8
53.03928	1.5
55.01884	1.6
55.05513	1.0
57.20578	0.7
65.03944	7.7
66.04728	0.7
67.05501	2.0
69.03409	0.7
69.68764	4.5
70.06596	1.2
78.04722	4.3
79.05495	8.7
81.03407	1.0
81.07051	1.4
82.04173	1.4
84.08129	0.8
84.21440	0.8
91.05488	12.1
93.03413	5.8
95.01319	1.1
95.04964	3.5
98.21111	2.4
100.11246	1.2
103.05483	5.8
104.06245	1.1
105.07034	12.7
106.04163	2.6
107.04964	13.0
109.06564	0.8
110.03650	7.8
111.04453	6.6
115.05447	7.1
116.06193	1.1
117.07021	1.8
118.04147	2.8
119.04945	9.5
119.08578	2.6
121.06512	1.9
122.03654	1.7
123.04424	7.4
124.05206	3.5
125.05994	8.5
127.03960	0.9
128.06221	5.7
129.07010	6.8
130.04138	1.3
131.04932	6.8
131.08560	1.7
132.05685	3.9
133.02861	2.4
133.06505	8.5
135.04398	1.3
136.05211	1.2
137.04982	1.3
137.05981	11.9
138.03123	1.0
141.06966	1.5
143.04912	1.6
143.06020	0.8
144.05685	1.9
145.06493	2.6
147.04428	10.7
147.08049	3.4
149.05965	2.3
151.03923	2.0
151.07486	1.7
152.04692	2.1
153.05478	38.3
155.04910	1.1
156.05673	1.5
156.50092	0.8
157.06532	1.3
159.04437	1.0
159.08055	9.8
160.05177	2.4
161.05997	13.6
162.06711	1.2
163.07524	1.5
165.05505	1.6
165.07004	2.2
167.07053	100.0
168.07350	0.8
169.06497	1.2
171.08047	1.4
172.05186	3.2
173.05942	1.2
175.07559	26.3
176.04659	1.3
177.05478	2.4
177.06912	1.3
178.07759	2.6
179.07047	7.5
179.08578	1.8
181.04861	1.4
184.05171	1.6
185.05965	1.6
186.06848	1.1
187.07547	24.2
189.05437	7.5
189.07037	4.1
189.09097	2.1
190.07765	3.9
191.07027	9.4
191.08572	5.0
193.10074	1.0
195.07953	1.2
199.07549	9.7
201.09109	1.2
202.07831	6.1
203.07030	0.9
203.08635	5.8
204.09357	1.0
205.06564	3.8
206.07278	3.9
207.06375	1.8
207.08134	3.6
208.08748	1.2
209.08093	2.5
215.08574	2.4
216.07823	2.5
217.06477	2.8
217.08415	1.1
217.60844	0.8
218.07298	5.7
219.08090	9.2
220.08836	4.5
221.05980	2.5
221.09627	6.6
223.07555	2.5
223.88112	0.8
229.08609	2.0
230.07393	1.0
231.08089	5.7
232.08774	3.3
233.05971	2.9
233.09688	6.4
234.06729	5.6
234.10330	0.9
235.07617	6.3
236.08322	3.1
237.09088	2.6
243.08057	1.9
245.06070	2.5
246.06741	3.3
247.07520	6.3
248.08366	6.3
249.09166	8.7
250.06154	1.2
250.09830	2.5
251.07050	3.2
251.10707	5.4
259.07605	2.8
260.08328	3.5
261.05554	3.4
261.09116	6.8
262.06253	1.9
262.09726	1.7
263.07104	5.1
263.10733	3.9
264.07828	5.0
265.08594	9.2
266.09335	1.9
273.08981	1.3
274.06165	1.2
275.07007	2.8
275.10175	0.8
276.07861	12.1
277.08582	9.2
278.09357	4.7
279.10138	4.4
280.10907	1.1
281.11707	8.5
283.09787	0.9
287.06955	1.5
288.07846	1.9
289.05563	0.8
289.08521	4.8
290.09378	3.0
291.06909	1.7
291.10187	5.3
292.07306	2.2
292.10754	1.1
293.08044	5.3
293.11707	3.2
294.08817	2.3
295.09738	2.1
304.07236	2.6
305.08142	3.6
306.08905	2.8
307.09619	18.3
308.10309	6.8
309.11176	9.2
310.11813	1.2
311.12982	1.0
319.09662	12.6
320.10361	2.7
321.07736	1.6
321.11182	10.7
322.11935	1.3
323.09299	1.3
323.12732	5.3
325.14551	1.7
326.11334	1.7
335.09201	1.1
336.09924	1.5
336.13638	1.0
337.10553	2.1
338.11588	1.6
339.12283	53.9
340.12827	1.8
341.13812	15.9
351.12271	30.3
351.16559	1.7
352.12677	1.4
353.13913	9.9
571.27716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01878	1.8
65.03948	5.9
67.05476	1.2
69.68757	7.0
70.06578	1.8
72.08168	2.2
78.04705	4.8
79.05487	9.1
81.07077	1.2
89.03949	1.0
91.05495	9.5
93.03403	3.6
98.21189	3.5
100.11277	1.7
103.05467	6.0
104.06234	1.1
105.07050	9.1
106.04161	1.3
107.04964	15.2
110.03665	4.5
111.04479	5.2
115.05475	5.5
117.06979	1.5
118.04154	2.8
119.04952	6.9
119.08565	3.3
121.06490	2.0
122.03665	1.5
123.04462	6.3
124.05234	3.2
125.06000	7.7
128.06245	3.6
129.07002	7.4
130.04184	1.1
131.04926	8.4
132.05743	3.2
133.02876	1.8
133.06525	7.2
136.05244	1.5
137.05981	8.4
143.04945	1.2
143.06102	1.3
144.05708	2.1
145.06458	3.0
147.04440	8.0
147.08058	3.3
149.05986	2.9
151.03932	2.5
152.04694	2.0
153.05457	27.6
155.04900	1.4
155.12634	1.2
159.08107	9.5
160.05182	1.4
161.05960	12.5
162.06740	1.4
163.03951	1.1
163.07565	2.0
163.57355	1.0
167.07048	100.0
171.04424	1.5
171.08147	1.1
172.05266	1.8
173.06029	1.3
175.03847	1.5
175.07564	26.3
177.05505	2.3
178.07800	1.6
179.07076	4.8
184.05197	1.6
185.06042	1.6
186.06721	1.2
187.07558	21.9
189.05487	6.0
189.06982	2.0
190.07794	3.4
191.07050	11.8
191.08649	2.6
199.07550	10.8
202.07809	2.6
203.06863	1.4
203.08571	5.4
204.09312	1.4
205.06477	4.4
206.07265	3.4
207.06473	2.2
207.08165	1.7
209.08118	2.6
215.06871	1.3
215.08675	2.8
217.06558	1.4
217.08562	2.2
218.07263	4.9
219.08104	7.1
220.08875	2.9
221.09599	4.3
223.07440	1.3
229.08519	2.0
231.08113	5.1
232.08762	2.0
233.05838	2.4
233.09584	3.3
234.06747	4.2
235.07581	4.2
236.08160	2.3
237.09187	1.5
242.07333	1.1
245.06006	1.4
246.06740	3.5
247.07553	5.5
248.08470	5.4
249.09216	7.1
250.09998	1.6
251.06917	2.8
251.10786	3.9
253.08580	1.3
253.12221	1.5
257.34030	1.2
259.07455	3.3
260.08221	3.2
261.05530	3.0
261.09146	6.1
262.06201	2.0
263.07114	4.0
263.10526	2.2
264.07864	2.5
265.08630	6.8
266.09390	1.6
273.08862	1.4
275.07022	3.8
276.07806	10.0
277.08685	7.5
278.09381	3.5
279.10190	4.0
280.10703	1.1
281.11710	6.9
288.07690	2.0
289.08591	5.6
290.09348	1.8
291.06870	1.5
291.10110	5.5
293.08170	3.7
293.11609	3.6
295.09543	1.7
304.07455	2.2
305.08304	2.1
306.08960	2.5
307.09592	12.6
308.10437	4.3
309.11243	10.4
313.14401	1.5
319.09698	11.8
320.10498	1.8
321.07938	1.5
321.11288	9.2
323.09317	1.2
323.12808	4.8
337.10651	1.2
338.11884	1.1
339.12314	31.1
341.13846	18.2
351.12308	21.1
353.13861	11.2
467.45352	1.2
513.67529	1.1
540.65735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29872	1.6
51.02397	1.7
53.03957	2.9
55.01873	3.6
63.43441	1.7
65.03935	4.3
67.14802	1.6
69.87442	8.9
70.06600	6.9
71.05000	3.5
72.08141	1.7
74.52601	1.8
79.05499	7.5
81.03435	3.9
81.07046	1.8
84.08116	1.9
85.02914	5.7
86.09652	1.7
86.22331	1.6
91.05482	20.0
93.03444	3.7
94.04194	3.5
95.04975	6.5
95.99760	1.7
103.05469	36.5
105.03402	5.2
105.07055	7.8
107.04967	6.4
109.06516	3.6
111.04455	2.2
115.05472	5.3
117.07022	4.3
119.04935	19.2
121.06544	5.0
122.03661	7.4
123.04436	6.0
123.08121	2.2
124.05218	1.8
125.06047	2.9
129.07031	4.2
129.10240	2.0
131.04938	57.7
133.02928	2.7
133.06488	9.2
135.04382	2.6
137.05984	100.0
144.05643	2.5
145.06508	8.0
146.03616	2.0
147.04425	8.0
149.05946	3.2
151.03932	5.7
151.07568	14.9
151.17526	1.6
153.05510	7.3
157.06511	4.4
159.08058	4.5
160.05193	2.7
161.05977	17.0
162.06734	2.4
163.07556	37.1
165.05469	2.5
167.07059	40.3
172.05241	3.2
173.06018	7.5
174.06792	2.4
175.07574	6.2
177.05481	6.5
177.09048	2.0
179.07022	11.2
181.04994	2.0
181.08560	4.0
183.06572	2.1
187.07512	14.0
189.05489	4.5
189.09149	2.9
190.06227	2.9
191.07071	4.6
192.04216	2.2
193.08624	3.2
199.07587	2.0
201.05623	3.5
203.07010	6.4
203.08694	2.3
205.06831	1.8
205.08627	7.4
206.09399	1.8
207.06487	4.6
209.08121	2.8
215.07036	3.2
216.07922	3.5
217.08632	2.4
219.06482	4.1
219.08380	2.1
221.08113	4.4
225.05525	1.9
233.08066	18.3
234.08875	8.5
235.07603	2.1
240.07755	1.7
241.09016	1.6
247.07536	2.0
247.09744	4.9
249.09079	3.4
263.06967	1.8
265.08603	2.5
269.08087	3.6
277.08591	2.4
278.09244	1.9
279.09891	2.9
283.09619	2.8
287.05469	7.7
288.05939	5.3
289.05957	8.0
291.10104	3.8
295.09729	3.0
296.10086	2.0
297.11188	2.3
305.08249	1.9
307.09625	3.1
309.11212	3.0
321.11160	4.8
337.10547	2.2
339.12311	10.8
340.13022	6.3
341.13901	5.2
343.11688	3.1
351.12601	2.4
352.12918	1.7
363.12045	2.2
365.13803	2.0
370.14172	6.6
371.15131	3.0
381.13135	2.5
387.14276	5.8
463.90073	1.9
480.71713	1.8
537.21277	6.3
538.16888	1.9
567.21521	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.8
55.01861	0.7
60.63282	0.7
69.03420	1.4
69.78308	2.0
69.78693	1.7
70.06597	1.7
72.08146	0.8
77.74336	0.7
78.04715	1.8
79.05488	2.3
84.08127	0.9
85.02912	4.1
86.09759	1.0
91.05513	3.9
95.04977	1.8
97.02928	1.3
103.05470	1.7
105.07032	2.9
106.04166	1.3
107.04976	5.4
115.05474	1.5
117.07028	1.3
119.04961	2.4
119.08585	1.8
121.06485	1.1
123.04419	3.6
124.05202	1.3
127.03875	1.2
128.06145	1.1
129.06972	5.0
131.04939	3.2
131.08542	0.7
132.05762	1.0
133.06493	2.3
136.05205	1.2
137.05965	2.2
144.05669	1.3
145.06480	3.0
147.04419	0.9
147.08072	2.8
151.03889	1.7
151.07571	3.2
152.04616	1.2
153.05498	1.0
155.07094	1.2
157.06598	1.2
159.08070	3.1
160.05136	1.1
161.06003	7.5
167.07059	100.0
172.05185	1.2
173.06059	1.5
175.07556	19.9
177.05498	1.4
179.07036	11.5
180.08682	0.9
187.07558	10.4
189.09103	0.9
191.07043	7.8
191.08588	1.1
193.08611	3.3
199.07620	2.7
203.08553	1.0
205.08614	5.3
206.07294	1.6
209.08136	1.7
217.08705	3.8
221.09651	1.7
223.09662	1.2
231.08092	1.3
233.09666	1.2
234.06818	1.1
235.07448	1.1
248.08368	1.0
249.09145	3.5
251.07034	1.4
259.34143	0.8
261.09216	1.3
265.08673	1.0
277.08612	2.2
281.11746	4.3
282.94870	0.8
283.09573	0.8
289.08682	1.7
293.08151	0.8
293.11606	1.1
294.09058	1.0
309.11163	5.6
311.09192	0.9
321.11209	2.4
326.11508	2.4
339.12234	1.0
341.13873	18.3
344.12598	1.5
353.13797	6.8
359.14911	8.9
371.14868	9.5
389.16147	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.6
53.03932	3.5
55.05273	1.1
55.05511	12.8
57.07081	10.7
65.03931	3.2
67.05510	18.2
68.10843	1.0
69.03424	1.5
69.06789	0.9
69.07072	11.0
69.46243	1.0
70.06573	3.0
70.82681	2.6
71.04982	2.3
71.08628	2.7
71.31345	1.0
77.03935	2.2
79.05495	27.8
80.06266	2.7
81.06595	1.7
81.07060	30.2
83.04967	3.9
83.08632	5.5
85.06527	3.4
85.10182	1.5
88.07612	4.5
91.05483	46.1
92.06248	2.2
93.07048	49.4
93.07638	2.4
94.07841	2.5
95.04974	41.0
95.08610	26.2
97.06519	3.1
97.10192	1.4
100.94609	1.1
102.09184	4.0
103.05469	2.9
105.04503	2.1
105.07034	85.0
106.07813	4.6
107.04916	1.1
107.08598	39.6
108.09379	2.4
109.06515	4.8
109.10152	16.0
110.43071	1.1
111.08079	2.0
115.05453	4.8
116.06269	2.0
117.06233	1.9
117.07024	27.1
118.07802	2.9
119.04852	1.5
119.08587	100.0
120.09401	8.9
121.06503	1.9
121.10149	29.8
121.10976	1.0
123.08064	14.1
123.11728	5.7
125.09663	2.6
128.06233	11.1
129.07021	16.4
130.07765	10.5
131.08572	45.6
132.09369	9.9
133.10135	51.9
134.10965	6.3
135.08063	5.7
135.11696	16.2
137.09677	5.3
138.10437	6.8
139.11183	1.6
141.06998	8.1
141.07938	1.3
142.07793	20.3
143.08566	43.7
144.09346	13.9
145.10124	82.6
146.07312	1.1
146.10870	4.6
147.08041	2.0
147.11694	22.4
149.09624	4.4
149.13293	4.1
151.11150	3.2
151.14816	1.7
153.07001	3.0
154.07770	3.8
155.05991	1.6
155.08557	15.1
156.09344	17.6
157.10132	50.2
158.10913	12.8
159.08006	2.1
159.11699	36.5
160.12430	4.0
161.09622	6.3
161.13289	7.9
163.11171	3.9
163.14851	1.3
165.07008	6.5
166.07755	1.7
167.08543	9.4
168.09343	7.6
169.10135	26.4
170.10934	6.9
171.11694	33.1
172.12437	7.3
173.09731	1.4
173.13268	26.9
174.14001	2.2
175.11320	1.5
175.14832	20.0
177.12755	5.8
179.08568	8.7
180.09280	4.4
181.10124	16.6
182.10902	9.4
183.11707	28.6
184.12477	7.4
185.13258	21.9
186.14029	4.3
187.11172	1.6
187.14806	12.5
189.12726	4.5
191.14317	9.7
192.09378	1.3
192.15070	1.9
192.87427	1.1
193.10150	7.6
193.15884	1.5
194.10925	8.9
195.11702	20.5
196.12495	7.8
197.13283	23.9
198.13998	4.7
199.14792	12.2
200.15617	2.2
201.12689	4.2
201.16370	7.0
203.14301	3.0
205.10178	2.0
205.16022	1.3
206.10931	4.4
207.11679	11.3
208.12463	4.5
209.13261	23.4
210.14055	4.1
211.14816	16.9
212.15591	2.0
213.16403	5.3
215.14398	1.7
217.15907	6.5
219.11613	2.1
219.17426	1.8
220.12518	2.5
221.13240	10.3
222.14056	3.4
223.14792	9.0
224.15565	4.1
225.16344	8.1
226.17162	3.0
227.14249	2.3
227.17975	2.5
229.15697	1.3
230.16591	1.3
231.11572	1.8
231.17537	1.6
232.12560	1.7
233.13191	3.1
235.14803	5.6
236.15553	1.3
237.16405	7.3
238.17274	1.4
239.17914	4.4
240.18797	1.6
241.19542	2.5
245.13298	2.5
246.13911	1.3
247.14822	3.5
249.16393	4.8
251.17883	3.3
253.19641	2.2
255.17488	1.4
257.18985	2.5
259.14862	1.9
259.20493	3.1
261.16348	2.7
263.17984	4.2
265.16443	1.0
265.19534	4.6
267.17532	1.4
267.20947	1.2
270.19745	1.6
272.21463	1.3
275.18039	2.3
277.19556	3.4
278.20178	1.3
279.21033	2.2
281.19009	2.6
283.20514	4.3
283.26257	3.3
284.29443	8.5
285.22089	2.1
291.20990	1.6
297.22113	2.9
301.19284	1.4
305.22617	3.6
307.20490	1.4
311.29495	8.1
312.32626	3.2
320.24869	1.9
323.23721	6.3
336.24545	1.5
337.25220	2.7
338.26047	37.8
349.25085	3.0
351.27011	1.4
362.25739	1.5
415.29886	2.1
420.30087	1.7
430.32425	12.2
476.36615	13.3
568.42828	21.5
568.56494	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	569.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
55.01877	2.6
55.05515	24.0
55.92382	1.9
57.03440	3.9
57.07076	9.8
60.14330	2.0
65.03938	5.9
67.05508	78.4
69.03422	3.6
69.07079	20.6
71.04995	5.3
71.08635	3.6
71.51994	3.1
79.05495	76.1
81.03457	2.7
81.04896	1.9
81.07060	80.1
83.04991	6.1
83.08623	10.0
85.06510	2.7
85.10211	2.4
88.07651	4.4
91.05489	69.8
93.07048	80.3
95.04969	8.9
95.08613	50.5
97.06552	5.9
97.10181	6.2
102.09199	3.7
103.05455	2.5
105.04526	3.1
105.07035	45.5
105.37710	1.9
107.08594	46.8
109.06560	3.3
109.10158	18.8
111.08108	3.4
115.05477	3.1
117.07017	20.2
119.08583	31.8
121.10153	34.1
123.08111	3.3
123.11694	5.9
124.49184	2.0
125.09655	4.2
129.07019	6.2
131.08577	33.6
133.10152	21.2
135.11700	16.6
137.09590	3.9
143.08559	14.5
145.10153	16.0
147.11682	16.7
149.09680	2.8
149.13292	6.2
155.08609	3.7
156.37990	1.9
157.10121	11.7
159.11713	9.8
161.13284	8.5
164.69885	2.1
169.10162	5.0
171.11746	6.6
173.13257	7.3
175.14880	3.7
178.52399	2.1
183.11702	5.0
185.13383	3.9
187.14902	5.9
189.16429	5.7
197.13329	3.5
199.14883	6.8
201.16524	3.2
207.17513	2.3
213.16467	3.2
217.15973	6.5
225.16481	2.9
235.17018	9.0
261.22208	5.1
283.26367	3.4
284.26669	4.3
284.29590	5.9
285.29907	6.5
291.19598	3.2
311.29669	7.6
312.29773	5.5
335.25800	3.3
427.39087	2.0
477.37411	4.5
495.38394	4.6
551.41760	3.1
568.56982	5.6
569.42084	100.0
569.56171	27.3
579.33282	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.9
57.07080	57.9
67.05508	3.5
69.07066	8.0
69.51939	9.3
71.08242	2.6
71.08635	45.6
73.06532	3.1
79.05492	1.6
80.14803	1.5
81.07073	2.8
83.08614	4.3
85.10188	33.4
87.04475	5.8
89.06037	100.0
91.05505	2.0
91.07598	1.2
93.07050	2.0
95.08624	2.8
97.10175	4.2
98.20760	2.5
99.11757	7.9
107.07081	2.7
111.11711	3.8
113.13291	5.5
117.09143	5.4
121.10160	1.9
125.13243	1.7
127.14833	4.5
130.08672	1.9
131.07094	1.8
133.08615	65.9
135.10210	1.4
177.11247	25.1
212.14951	1.4
221.13838	6.7
239.14989	1.7
271.26285	2.7
283.17700	2.8
315.29022	3.3
327.20117	3.1
371.22797	9.8
404.92429	1.4
463.53949	1.7
546.25964	1.4
553.43060	12.2
565.90930	2.3
570.43127	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	571.136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90310	1.1
56.96562	2.7
57.34532	1.4
69.03429	4.7
69.37526	1.1
69.58701	8.9
71.04958	1.4
78.02951	1.3
80.05855	1.2
82.99882	4.5
85.02920	7.5
88.59064	1.3
97.02888	3.1
98.21532	1.3
98.97585	10.9
101.00882	18.8
109.02880	1.9
110.97575	2.5
113.00871	4.5
115.02415	2.9
116.98669	1.9
119.01928	18.3
127.02439	5.1
127.03934	3.7
128.98595	1.9
130.96306	2.0
131.01877	9.7
132.95824	3.3
133.03465	4.4
139.02406	2.8
143.01910	32.1
144.95876	1.5
145.03477	12.0
145.04637	1.6
146.99690	1.4
147.01430	1.6
155.01912	20.3
157.03462	8.8
158.99629	2.8
161.02971	23.0
167.01920	14.4
168.99860	3.6
169.03516	4.5
171.01439	2.7
171.05087	3.1
172.97533	2.5
173.02992	22.5
174.96881	2.0
179.01906	6.1
181.03490	1.8
185.02972	45.0
186.03119	1.3
186.96951	2.7
187.00922	2.7
187.04544	4.2
191.03951	2.8
196.97418	2.9
196.99275	1.3
197.02977	15.4
197.76964	1.4
198.96959	3.1
199.01012	3.0
200.04459	2.1
201.00740	1.5
201.02444	4.2
203.03986	9.1
213.02399	1.6
214.98579	2.4
215.00403	3.7
215.04071	8.6
216.98076	2.4
217.01958	2.9
219.01689	2.5
219.03546	2.0
224.96556	1.3
227.04024	10.9
229.01952	3.1
231.03505	4.8
232.99573	2.9
234.98965	3.3
237.02745	1.3
243.03520	1.5
245.05106	100.0
246.05266	2.8
247.02965	4.8
247.08412	1.5
257.05157	6.0
259.02914	2.4
263.06152	10.2
271.03070	2.6
275.00458	4.5
275.02954	2.4
275.06165	13.7
277.00125	13.9
281.07047	1.4
287.05402	1.5
289.00964	2.1
289.04013	13.4
293.07095	2.9
297.04868	1.2
301.04019	2.4
303.05673	2.0
305.01718	2.8
305.07172	12.5
307.01404	2.6
307.05142	10.6
310.08673	1.5
319.05188	4.4
319.08640	1.9
331.05167	4.8
333.06522	1.6
335.08234	5.6
343.05112	2.6
349.06165	8.6
359.04645	2.8
361.06107	2.0
365.09369	14.3
373.05682	1.3
377.05859	3.1
391.07260	6.4
400.04260	1.7
409.08557	2.7
458.26749	1.4
511.11343	4.1
539.11047	1.6
571.13770	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	571.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01868	5.6
57.03432	4.6
61.02924	3.6
65.03942	2.2
67.05470	1.2
68.99802	6.7
69.03083	1.8
69.03436	23.8
70.06593	2.1
71.01347	1.2
71.04984	3.3
71.42610	2.3
73.02914	4.4
79.05495	2.1
81.03424	27.0
81.07063	2.5
83.01371	1.4
83.04973	2.7
85.02911	31.7
86.09713	1.4
87.00836	10.4
87.04472	1.2
87.35387	1.1
89.03947	1.1
91.03938	1.8
91.05484	27.7
93.07045	1.6
95.04971	3.8
95.08607	2.0
95.27893	1.0
97.02900	20.1
97.06548	1.3
99.04464	8.3
101.02425	1.5
103.03931	2.5
103.05474	3.0
104.82626	1.1
105.01868	4.0
105.07020	6.0
107.04972	3.9
107.08577	1.2
109.02880	28.0
109.06528	1.4
109.10182	1.1
111.04438	2.8
115.03951	1.3
115.05481	4.5
117.07025	2.6
118.04144	2.0
119.04946	32.5
119.08585	2.6
121.02921	1.5
122.03663	1.6
123.04454	1.7
127.03922	32.0
129.01854	4.1
129.05461	1.3
129.07027	1.6
131.04965	3.9
131.08588	1.7
133.06491	13.3
135.04430	1.0
136.00128	1.0
137.05980	23.6
137.06955	2.0
139.03886	1.1
141.01828	7.5
141.07008	1.5
143.04979	3.0
144.05637	1.2
145.04965	6.4
145.06483	2.8
147.04417	100.0
151.03908	2.3
153.05473	6.1
153.06845	1.3
159.02893	4.8
159.04231	1.5
159.08054	1.4
161.05998	15.1
163.03897	2.6
163.07556	2.2
167.07069	2.0
171.02908	3.0
173.06003	4.7
175.07570	1.6
176.04729	2.9
177.05511	3.8
179.07040	76.0
181.05008	2.6
181.06444	1.4
184.05302	1.9
185.06007	2.8
187.07513	2.7
189.03951	2.2
189.05536	3.7
191.07031	19.1
191.08592	1.7
193.04962	1.2
193.08673	2.2
197.05946	2.2
198.06786	1.4
199.05942	1.1
199.07622	3.7
201.03951	1.8
202.07910	1.7
203.07086	5.1
203.08699	1.9
205.04877	1.3
205.08659	3.7
207.06552	1.4
211.07709	2.1
213.03922	3.8
213.05655	1.8
213.09090	1.2
215.07039	2.0
217.08553	2.6
219.06445	1.9
221.08049	9.2
223.07631	2.6
227.07024	1.3
231.05011	4.4
231.08069	3.3
231.10115	1.4
233.08098	4.7
237.05414	1.4
241.08632	4.0
245.08124	4.2
248.08388	2.4
251.07051	1.1
255.06552	1.5
257.08218	1.5
259.07516	2.8
259.09857	2.6
260.08353	2.4
263.10883	1.4
269.08109	8.1
275.09271	1.5
276.07889	1.6
285.07574	1.1
287.09167	8.2
291.10086	10.5
299.08923	1.3
305.10336	2.4
322.11899	1.7
323.12820	9.7
335.12881	1.6
357.08188	1.4
517.13641	1.9
535.14618	4.2
571.31879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01876	1.6
57.03433	1.4
57.69888	0.3
61.02927	1.1
62.95139	0.3
64.36343	0.3
65.03933	0.6
66.04725	0.9
68.99795	1.6
69.03432	6.8
70.06566	0.5
71.01373	0.5
71.04984	0.6
71.66539	0.3
72.08119	0.4
73.02915	1.5
79.05489	2.2
81.03428	6.6
81.07047	0.9
85.02911	10.0
87.00841	5.5
87.04487	0.4
89.03900	0.3
90.80725	0.3
91.03974	0.6
91.05494	1.9
93.07076	0.4
94.04197	4.2
95.04960	0.9
95.08615	0.5
97.02901	6.8
98.21155	2.1
99.04461	2.2
101.02409	0.5
103.03957	0.7
103.05486	4.0
105.01883	2.1
105.03384	0.4
105.07045	5.3
107.04958	1.7
109.02885	6.1
109.06545	1.3
111.04444	0.6
113.02345	0.4
115.03941	1.1
115.05447	2.3
117.01856	0.8
117.07030	0.4
118.04164	0.5
119.04958	0.6
119.08587	0.7
121.06528	0.5
122.02766	0.4
122.03658	8.5
125.02347	0.8
127.03925	8.9
128.06241	0.9
129.01851	0.7
129.07008	0.6
130.04124	0.4
131.04950	5.2
132.05693	0.4
133.06491	3.5
137.05984	100.0
138.06328	1.1
139.05428	0.5
141.07010	0.5
143.03439	0.7
143.04961	0.4
143.06013	0.3
143.08601	0.4
145.05002	1.8
145.06441	0.4
146.03636	2.7
147.02849	0.6
147.04466	1.9
147.08095	0.6
149.06007	1.1
151.03906	0.8
151.07507	0.6
153.05582	0.3
153.07025	0.5
156.05748	0.4
157.06476	0.4
159.02930	2.9
159.08083	1.0
160.05179	0.4
161.05988	32.2
162.06732	1.0
163.07547	10.4
165.06950	0.4
167.04947	0.8
168.05673	0.5
169.06502	0.6
171.08063	0.5
173.05940	0.4
174.06844	0.6
175.07594	2.5
177.05496	0.5
179.07036	1.1
181.06525	0.9
183.08063	0.5
184.05231	1.2
185.06070	0.4
187.07555	1.4
189.05472	0.6
189.07021	0.7
190.07709	0.6
191.07019	0.8
191.08598	1.3
192.09268	0.7
197.06013	0.5
198.06799	0.4
199.07545	7.2
201.09085	0.7
202.07770	6.4
203.07008	0.9
203.08594	11.6
204.07751	0.5
205.06516	1.2
205.10246	0.4
206.07283	0.5
209.05815	0.4
211.07562	0.8
213.03857	0.6
213.07144	0.8
213.09056	0.7
215.08571	1.1
217.10283	0.6
218.07375	0.8
219.08041	3.5
220.08884	3.9
221.09735	0.6
222.06946	0.4
227.08728	0.6
228.09489	0.4
230.07312	1.5
231.05209	0.9
231.08067	21.9
232.08847	3.6
233.05968	0.7
233.09642	0.9
234.06805	0.6
235.07600	0.5
235.11253	1.0
237.09111	1.1
241.08597	0.7
242.07283	0.5
243.08031	1.2
244.08711	0.7
245.09689	1.4
246.06790	0.4
247.07549	3.4
248.08345	8.9
249.05525	0.5
249.09059	1.5
253.08615	0.9
255.08151	0.5
257.05981	0.4
257.09903	0.4
258.06781	1.9
259.07553	18.3
260.08340	12.8
261.05487	0.5
261.09122	2.4
262.09982	0.9
263.10699	8.6
264.11395	0.4
265.08514	2.4
269.08206	0.3
271.07635	1.3
272.08365	1.0
273.09094	1.7
274.06213	0.5
274.09955	0.6
275.07104	2.1
275.10736	1.1
276.07809	8.0
277.08633	3.1
279.10208	1.0
280.11014	0.8
281.08044	0.6
285.09073	0.8
287.07083	0.4
287.10532	0.7
288.07861	0.8
289.08649	2.8
290.09375	1.4
291.10165	42.5
292.07797	0.5
292.10696	2.3
293.08118	2.8
293.11252	0.5
294.08994	0.5
295.09735	0.9
295.13266	0.9
296.10483	0.7
297.11234	1.0
300.07971	0.8
301.08569	1.4
302.09354	0.5
303.10147	3.1
305.08380	0.6
305.11716	2.1
307.09698	1.4
308.10483	4.1
309.11234	1.0
315.10141	1.5
317.11777	1.4
319.09732	0.7
320.10532	1.5
321.11237	4.0
322.11957	2.0
323.12793	47.5
324.13165	1.3
325.14301	0.4
329.11694	0.5
331.09775	0.5
332.10571	0.9
333.11292	4.5
334.12045	0.6
335.08810	0.5
335.12778	9.2
336.13300	0.5
337.14386	1.6
345.11203	1.3
347.12946	2.4
348.13535	0.5
349.14471	1.3
351.12405	1.3
353.14075	1.7
357.11206	0.6
359.12762	1.0
363.12277	0.5
365.13870	7.4
366.14307	0.4
371.12732	0.6
374.11417	0.5
375.11957	0.6
377.13797	2.2
389.13882	1.6
395.15054	0.7
399.12311	0.5
403.15509	1.0
407.14755	0.7
413.13885	1.5
431.14893	2.6
435.14386	0.6
449.15906	2.2
467.16821	1.1
485.18243	0.7
511.15912	0.5
521.13995	0.5
527.19025	0.5
535.16107	1.5
553.17059	1.9
571.18097	8.3
574.33081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.8
53.03959	2.4
54.99884	0.3
63.15561	0.4
63.22458	0.5
71.45387	0.6
77.03954	0.8
79.78030	0.4
81.03420	3.7
85.02900	0.4
91.05482	1.6
91.22310	0.4
95.04958	1.3
95.08607	0.4
95.25713	0.4
97.02914	1.2
99.83881	0.4
101.52649	0.4
102.04681	0.6
103.05476	44.6
105.03413	1.2
105.04507	0.9
107.04964	13.3
109.02892	8.9
115.05475	3.8
118.30872	0.4
119.04951	0.4
120.24850	0.4
127.03907	1.9
131.04939	100.0
135.04359	0.7
137.05992	0.5
141.07007	0.7
144.05707	1.5
145.06528	0.6
151.03952	2.2
157.06493	0.5
159.08173	1.0
160.05199	0.7
165.07042	0.5
166.07782	1.0
169.04964	1.0
171.08040	0.5
173.06015	1.3
181.10092	0.7
187.07520	2.0
191.08701	0.5
194.07327	1.0
197.05981	0.7
209.09625	11.6
215.07050	9.4
220.15114	0.4
233.08192	0.8
235.07677	0.5
237.09183	0.6
241.08641	1.2
243.58383	0.4
259.23651	0.4
275.09164	0.9
281.08139	0.5
317.10239	1.0
327.09915	0.4
407.64410	0.4
423.14484	2.0
543.20264	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
55.05503	0.9
57.02995	0.9
57.03431	0.9
57.62703	0.8
69.03423	1.1
69.07061	3.0
69.45351	5.8
73.32710	0.9
79.05494	2.6
81.03428	1.6
81.07061	10.5
83.05000	1.7
85.02901	4.0
93.07061	0.9
95.08609	2.9
97.02875	1.1
99.04532	1.0
103.05450	1.2
105.07058	1.4
109.02879	3.4
109.10194	1.0
122.03640	0.9
123.35340	0.8
127.03934	3.7
131.04984	1.5
131.08572	0.8
137.05986	9.7
145.05014	1.2
147.04482	1.0
147.08073	0.8
147.11700	0.9
151.07597	1.7
161.06021	3.2
163.07559	1.2
167.23723	1.0
169.03403	1.0
169.04758	1.8
170.36810	0.8
185.04221	1.8
187.04550	1.5
193.08658	1.1
194.08931	1.0
203.08577	1.3
215.07028	0.9
227.05301	2.1
229.03270	2.1
231.08276	2.0
243.04803	2.3
245.06450	3.4
248.08080	1.0
259.07535	1.8
260.08371	1.0
263.10736	1.6
287.03915	2.9
289.05353	5.0
291.10181	4.7
293.08716	1.0
321.11090	1.1
323.12897	3.8
331.10187	2.4
347.09222	1.2
349.11041	3.2
355.10037	1.5
372.06958	0.9
373.11218	5.2
389.10556	18.9
391.12152	18.5
399.09189	0.9
417.09949	5.3
433.09570	27.9
433.15286	1.5
435.11139	100.0
436.11902	1.0
454.78052	0.9
527.24640	16.8
571.23700	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30177	0.7
55.05512	0.8
64.02074	0.7
69.71514	3.6
74.27282	0.8
115.05376	0.8
115.12921	0.8
118.06540	18.5
127.22907	0.7
132.08080	5.9
142.06508	1.5
143.07317	2.1
144.08087	11.3
146.06017	62.8
151.11188	1.7
154.29590	0.7
159.09189	7.1
160.07626	0.9
169.12274	3.7
170.06004	5.2
188.07074	100.0
189.07434	1.0
205.09740	47.4
241.22552	0.7
376.37048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25675	0.2
51.02385	0.2
53.03942	2.5
60.73615	0.2
61.02914	0.4
69.03445	0.2
71.05019	0.2
78.03342	0.2
81.03421	18.4
85.02907	0.4
85.75880	0.2
86.93597	0.2
91.05492	0.3
97.02897	8.8
98.20766	0.5
98.21478	0.6
99.04444	0.9
99.46387	0.2
109.02885	100.0
110.03217	0.7
115.05470	0.3
119.05014	0.3
127.03924	27.4
128.04260	0.2
137.06006	0.3
139.03918	4.4
161.05927	0.2
163.88327	0.2
169.04968	32.1
170.05280	0.3
211.06006	2.5
229.07120	0.2
243.64096	0.2
271.08212	0.4
331.10330	1.6
393.80832	0.2
496.61481	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61524	0.8
55.05506	2.2
57.07080	27.8
59.05002	0.9
63.68182	0.9
64.96352	0.9
67.05492	3.2
69.07056	1.7
71.08638	29.1
71.19529	1.8
73.06571	7.5
79.05460	1.4
81.07061	1.6
83.08628	4.4
85.10188	24.2
86.29315	0.9
87.04467	7.2
89.06038	100.0
91.05468	1.0
97.10157	1.8
99.11726	3.4
105.06983	1.2
107.07059	1.8
117.09148	7.5
121.10154	1.1
130.08661	2.5
131.07027	1.8
133.08611	49.3
141.16380	3.9
177.11258	17.6
185.19017	6.7
190.84935	1.0
221.13795	3.9
229.21638	8.9
231.47021	1.0
239.14934	1.3
273.24228	5.2
311.25717	1.2
415.25638	2.4
547.86340	1.1
555.41125	5.6
572.43927	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.34
Annotation	13beta-Hydroxymilbemycin D
Peak:m/z	Relative Intensity
52.93903	0.5
55.05511	1.2
57.07063	1.3
67.05515	3.2
69.07069	0.9
69.32066	4.5
71.08643	0.8
79.05492	2.3
81.07072	4.1
87.04461	0.6
91.05481	0.9
93.07051	2.4
95.08601	3.4
103.74239	0.6
105.07035	1.5
107.08591	1.4
109.10160	1.5
110.09698	1.1
119.08561	1.2
121.10136	1.4
123.11672	0.7
133.10159	2.1
135.11728	0.9
145.56575	0.7
146.24727	0.7
261.22256	0.9
291.75394	0.6
359.21619	0.8
573.34015	100.0
573.48737	3.3
574.34546	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93409	1.2
53.03936	3.3
55.05511	19.6
57.07080	44.1
65.03944	1.6
67.05508	47.6
69.07069	20.8
69.17102	3.5
69.17520	12.0
71.08633	30.0
74.11163	1.2
79.05499	33.8
79.05936	1.2
81.07058	51.0
83.08622	19.0
84.32896	1.2
85.06526	1.4
85.10184	13.5
87.04472	2.2
91.05492	17.2
93.07047	35.8
95.04955	3.4
95.08607	47.1
95.43321	1.2
97.06509	2.4
97.10195	9.6
98.20728	2.5
103.05526	1.7
105.07028	12.0
107.08601	21.3
108.11906	1.2
109.10157	19.5
111.11746	3.7
117.07021	4.5
119.08595	7.6
121.10159	18.5
123.11700	8.2
131.08549	12.1
133.10138	10.5
135.11700	15.5
137.13232	3.4
145.10141	8.4
147.11699	8.4
149.13257	9.6
151.14929	1.6
159.11710	9.2
161.13275	6.9
163.14815	4.2
173.13295	5.0
175.14903	2.4
187.14825	3.3
239.23785	9.5
243.21094	7.7
259.20685	1.4
261.22125	23.6
313.27530	5.0
317.24744	7.9
573.48804	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05431	3.3
53.03944	4.5
55.01865	7.0
55.76913	3.5
56.96565	10.8
57.03432	9.4
61.02911	7.1
66.32303	3.8
69.03436	41.8
71.50041	8.7
72.93753	5.0
81.03419	7.6
84.08130	6.0
85.02912	69.5
87.04491	4.6
90.94798	6.2
91.03957	6.0
91.05495	17.7
97.02891	39.9
98.97592	37.5
102.94772	4.4
107.04963	17.3
109.02917	6.8
110.97576	9.4
116.98629	12.2
119.04970	30.1
122.03672	7.4
125.97217	4.3
127.03922	40.6
128.98633	10.4
129.10199	4.7
132.95840	15.4
135.04463	8.3
136.45810	4.2
137.05983	100.0
138.06326	4.6
141.35086	3.7
143.00237	4.6
144.95837	7.6
145.04982	24.9
147.04414	70.6
147.08215	5.1
158.97417	12.5
158.99661	9.0
167.07066	13.9
168.03232	4.6
170.99730	6.1
172.23270	3.6
174.96910	7.9
179.07060	42.1
180.07584	4.5
186.04428	11.2
186.96907	12.6
192.99692	4.6
194.97388	9.0
195.05023	8.0
197.08124	7.3
198.96873	8.0
204.05475	4.1
209.96123	11.1
212.98351	7.0
216.98079	9.9
219.01849	11.4
219.04877	5.2
221.05035	5.7
234.99030	30.2
235.97705	5.2
237.02780	10.2
237.06056	6.1
244.04309	21.8
251.00053	18.0
253.03925	5.8
253.95068	5.0
263.00174	4.9
269.01105	12.2
275.99399	11.7
277.00037	23.0
295.04773	5.9
307.06476	7.7
311.01944	5.4
347.02115	7.1
348.07001	14.9
363.09598	8.9
381.10187	13.3
383.04221	12.9
395.04373	8.4
399.11298	14.1
403.38416	4.6
413.05359	79.0
414.05634	4.9
415.08908	7.6
431.06271	11.6
439.52167	4.6
575.30084	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	576.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
54.38861	1.1
55.01880	5.2
55.05505	3.2
57.03443	13.0
61.02919	3.5
67.05504	1.8
68.99799	2.2
69.03436	16.6
70.06586	3.4
71.01357	1.3
71.05000	57.3
71.51213	1.3
73.02923	4.2
75.04490	1.1
79.05505	1.0
81.03428	18.7
81.07076	1.6
83.01370	1.3
83.04992	14.9
83.99066	0.9
84.08138	2.1
85.02910	100.0
86.09695	3.7
87.00833	16.5
87.04468	2.2
87.25735	1.1
91.05482	1.7
95.04980	4.0
97.02899	16.5
97.06530	1.1
99.04459	9.6
100.11246	1.5
103.03981	5.0
105.01875	17.1
105.07092	1.1
107.04955	3.6
108.04491	1.9
109.02890	20.1
111.04443	16.3
113.02379	1.4
115.03983	1.4
119.04978	1.1
123.04410	1.3
124.09174	1.0
125.02366	1.4
125.05988	1.0
126.05510	1.4
127.03925	34.3
129.01826	2.2
129.05484	23.1
129.10240	1.5
135.04442	2.0
137.05995	4.3
139.03911	1.9
145.04962	12.4
147.02895	3.4
147.06528	9.5
151.03918	3.5
153.05475	1.9
159.02879	6.0
164.09171	6.2
171.02907	1.2
171.06564	1.8
173.04521	1.3
181.05013	2.4
189.03935	5.8
189.09129	5.1
191.07179	1.5
193.04967	2.0
195.06458	1.9
213.03975	4.5
213.07536	1.9
231.04997	8.8
231.10345	1.8
237.07613	7.4
249.05959	1.4
255.08397	5.2
273.06134	2.2
273.11179	2.1
275.93631	1.0
293.29007	1.2
315.10663	1.9
341.08728	3.1
359.09836	2.8
377.10632	2.0
576.21179	1.9
576.41449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68060	1.3
53.03934	4.5
55.05484	2.5
67.05514	1.7
71.05000	1.4
71.51442	2.4
71.81934	1.4
73.77225	1.4
81.03419	25.4
81.07061	1.9
85.02895	2.4
86.06435	1.8
91.05480	2.0
95.04989	1.6
95.08601	1.7
97.02905	13.0
98.21156	1.6
99.04471	1.6
107.04955	3.0
107.24702	1.3
109.02891	73.3
119.08563	1.4
125.02099	2.7
127.02978	1.7
127.03931	36.1
131.08510	1.3
137.05945	1.8
139.03955	1.8
165.81477	1.5
169.04976	16.2
177.05508	1.9
191.03189	4.2
201.05316	1.8
209.04305	1.9
211.06029	3.5
233.04170	5.6
247.03447	2.2
247.05806	28.5
251.05289	24.5
290.23965	1.6
293.06369	17.4
311.07419	10.1
353.08463	74.5
371.09515	100.0
385.62952	1.4
481.33786	1.6
517.13013	2.3
577.15155	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	577.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.2
62.86663	1.6
64.07758	1.5
65.03935	2.3
69.03425	3.5
69.39341	1.5
70.06615	9.7
71.50795	2.2
71.58620	1.3
72.08145	2.5
74.76730	1.5
81.03434	2.6
84.08153	2.7
85.02920	7.5
86.09745	1.4
87.26599	1.6
91.05466	2.3
93.03442	1.7
97.02921	2.0
103.03896	1.3
107.04978	4.2
107.52451	1.5
109.02901	3.4
119.04981	8.9
120.08060	2.2
121.02891	28.8
129.10287	2.2
131.04965	2.0
145.02859	3.8
151.03859	2.2
163.04083	1.6
177.01886	5.2
179.03476	1.9
183.04378	1.4
187.03876	2.1
189.01872	6.4
189.05447	2.1
191.03517	2.1
195.02966	7.1
200.55424	1.3
201.05450	2.6
203.03439	10.0
207.02885	6.6
215.03419	1.9
217.04988	4.2
219.02994	1.7
221.04399	1.9
227.03261	2.3
229.05017	5.9
239.03433	2.1
243.02852	2.2
255.02916	6.3
257.04492	3.1
267.03232	1.5
267.06689	2.4
268.07285	5.4
269.08362	1.9
273.03955	2.5
279.06598	5.2
281.08136	2.0
283.06015	9.5
285.03964	4.9
293.08121	2.5
294.05243	7.0
295.06039	100.0
296.06641	8.0
297.07581	8.3
307.06012	39.0
308.06827	6.4
309.04312	2.1
309.07510	8.5
313.07114	3.9
317.08142	3.2
319.06024	3.0
320.06934	2.7
321.07620	21.4
322.08371	7.5
323.05493	4.4
323.09122	3.1
325.07086	99.9
333.07684	4.3
335.05643	2.5
335.09262	18.2
337.07117	17.0
337.10687	2.3
339.08975	1.7
345.07617	2.0
346.07941	2.0
347.09091	11.4
349.07104	27.5
351.04977	2.3
351.08823	5.1
357.07663	4.0
361.07031	20.9
363.08646	4.5
365.10318	14.0
373.07199	7.3
373.11237	1.7
374.07874	2.2
375.08728	6.6
379.08170	20.1
385.07056	5.9
387.08664	1.8
389.10446	2.4
391.08139	32.1
393.09647	2.0
399.08398	2.0
401.10205	3.4
403.08109	28.9
409.09207	52.5
415.09338	2.6
419.11749	2.2
421.09256	34.8
427.10370	48.8
429.09778	2.6
433.09186	4.4
439.10275	25.3
445.10413	6.6
457.11362	68.4
463.10464	2.2
469.09189	3.4
481.11215	8.1
487.10300	5.7
493.10971	3.0
499.12366	2.3
505.11502	12.4
511.12463	25.9
523.12396	35.6
529.13672	9.3
541.13428	34.6
559.14630	27.5
577.15643	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	577.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01853	1.2
57.03436	2.5
61.02876	1.7
63.86149	0.4
65.03904	1.1
68.99759	0.9
69.03374	1.3
69.57012	3.1
70.06554	1.1
73.02888	1.0
81.03427	2.5
83.01334	0.6
85.02438	0.5
85.02902	6.6
85.47361	0.5
91.05433	1.3
93.03366	1.4
95.04907	0.7
97.02839	1.2
98.20770	1.1
103.03875	2.2
103.05423	1.1
103.46150	0.4
105.03346	0.7
105.06996	0.9
107.04948	3.4
107.19552	0.4
109.02878	3.8
111.04401	0.7
115.05374	0.6
117.07013	0.8
119.04951	7.7
121.02866	41.1
121.03723	1.3
121.06421	1.4
128.06151	0.5
131.04918	1.3
133.02795	0.9
135.04329	1.3
143.04886	0.6
145.02840	3.4
145.06427	0.6
147.04338	1.8
149.02304	0.6
149.05948	0.8
155.04825	0.5
159.04416	2.3
161.02301	2.2
161.05916	1.5
163.03925	2.3
165.01779	1.5
169.06366	0.6
171.04379	1.0
173.02354	1.1
173.05951	1.3
175.03894	3.1
176.01103	0.5
177.01845	6.1
177.05487	2.5
179.03403	2.6
181.04918	0.5
183.04443	0.7
185.05951	1.0
187.03941	2.9
189.01813	8.1
189.05437	1.4
190.02580	1.6
191.03404	3.5
193.04906	1.1
195.02885	6.6
197.04379	0.9
197.06032	0.8
199.03857	2.0
201.01810	1.2
201.05484	2.9
202.02528	0.6
203.03381	19.0
204.04152	1.1
205.01329	0.8
205.04971	2.5
207.02887	6.3
211.03838	1.6
213.05463	1.6
215.03369	3.3
217.01402	0.6
217.04939	8.0
219.02831	2.2
219.06427	1.3
221.04373	3.2
225.05560	1.1
227.03458	3.1
227.07059	0.7
227.81380	0.5
229.04962	5.8
231.02870	2.7
233.04478	4.0
235.05933	0.7
239.03355	1.9
239.06987	1.3
241.05034	2.3
243.02921	2.7
243.06461	1.7
245.04471	1.3
247.05853	0.9
251.07019	1.4
252.07727	0.8
253.04935	1.1
255.02885	4.7
255.06476	1.1
257.04510	3.1
259.77356	0.5
261.03836	0.9
263.06989	0.8
267.03006	1.0
267.06534	2.3
268.07263	5.4
269.04388	1.1
271.05957	1.5
273.03888	2.1
276.07813	0.5
279.06564	6.2
280.07266	2.1
281.04398	1.6
281.08057	3.1
282.05234	1.5
283.06003	9.3
284.06760	1.4
285.04089	3.3
285.06958	0.8
289.08658	0.7
291.06561	1.2
291.09888	0.6
292.07269	1.7
293.04773	0.7
293.08051	7.0
293.11230	0.5
294.05167	6.1
294.08694	1.8
295.06015	100.0
296.06708	7.7
297.07510	7.8
301.08691	0.5
304.07422	1.4
305.08051	2.5
306.09033	0.9
307.06012	48.5
308.06778	19.1
308.10333	0.9
309.03906	2.0
309.07483	13.7
309.11087	1.1
313.06995	4.0
317.08038	3.4
318.08817	1.5
319.06027	2.9
319.09595	1.5
320.06754	5.2
321.07565	45.4
322.04892	1.3
322.08331	18.5
323.05493	3.6
323.09134	5.6
325.07050	94.2
326.07404	1.3
329.08121	1.8
331.06036	1.1
331.09589	0.6
332.06775	1.4
333.07520	15.2
334.08328	1.9
335.05469	1.9
335.09094	22.2
336.06177	2.6
336.09903	1.4
337.07053	30.2
337.10504	1.1
339.05060	0.9
339.08728	2.0
343.09705	0.9
345.07611	5.3
346.08472	2.8
347.09186	15.9
349.07059	47.3
350.07520	2.2
351.08624	36.9
353.06406	0.9
355.08307	0.9
357.07693	2.8
357.11420	1.0
359.05188	0.6
359.09146	2.0
360.06274	1.2
361.06995	24.9
361.10831	4.3
362.07553	1.1
363.08630	11.1
365.06226	0.6
365.10248	12.4
367.08194	3.6
371.09155	1.1
373.06949	9.0
373.10995	0.8
374.07813	3.0
375.08652	16.6
375.13303	1.0
377.06204	2.7
377.10294	1.6
379.08127	82.5
380.08493	1.5
381.10062	0.9
385.06998	4.0
386.07886	0.8
387.08688	4.5
389.05994	0.9
389.10477	5.2
391.08121	32.2
392.08731	0.8
393.09778	2.8
397.09247	0.8
399.08694	1.7
401.06165	0.5
401.10413	4.1
403.08105	30.5
404.08490	0.9
405.09744	1.4
409.09195	49.1
413.10361	1.6
415.08023	5.8
417.09702	4.3
421.09158	26.1
422.10095	0.7
427.10287	52.8
428.10712	1.4
429.10046	1.4
431.11496	1.6
433.09177	6.3
435.10901	1.4
439.10245	27.9
440.09946	0.6
441.09869	1.4
445.09543	8.7
449.12720	1.1
449.18890	0.6
451.09930	1.0
457.11313	78.6
458.11545	1.3
459.11032	1.1
463.10233	10.6
469.09662	1.6
475.10199	4.5
481.11316	50.3
482.11868	1.1
487.10236	4.8
493.11261	4.7
495.12744	0.6
499.12350	28.3
505.11288	10.6
511.12369	28.1
512.12567	0.9
523.12378	30.0
524.13031	0.6
529.13489	8.6
541.13416	34.3
542.13831	0.7
559.14459	25.7
560.14429	0.8
577.15613	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	577.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41135	0.7
55.05505	1.5
57.03432	1.2
59.04715	0.8
59.05005	15.5
59.47321	0.7
60.56380	0.7
69.03429	2.6
69.07063	0.7
70.06585	2.2
71.04996	4.6
71.50835	0.7
72.08112	0.8
73.02927	5.2
79.05444	0.8
81.03402	2.7
81.07053	0.9
83.04943	0.9
84.08120	0.7
85.02912	6.2
86.09704	1.1
87.04450	0.9
91.05477	1.3
93.07007	0.8
97.02893	2.1
98.93369	0.7
99.04455	0.8
100.11256	3.1
100.23695	0.7
101.06017	2.9
105.07030	1.9
107.04945	2.4
109.02902	3.6
111.04433	1.3
115.03886	1.1
119.04923	1.4
121.02869	2.5
121.06461	1.1
127.03880	4.2
129.04514	0.9
129.05482	17.6
129.06955	0.8
133.02850	0.8
133.06487	0.9
137.02287	0.9
137.05968	1.8
145.05008	0.8
147.04411	2.4
153.01822	2.0
161.06020	0.8
165.01802	1.9
167.07045	2.3
175.03903	1.6
175.07527	0.8
177.05557	1.2
178.86279	0.7
181.04938	0.9
182.15404	1.2
185.06021	0.8
200.83408	0.8
203.06923	0.8
207.06551	2.8
210.14967	0.7
213.05577	0.9
268.73111	0.7
273.09784	0.8
287.05515	100.0
288.05856	1.6
299.05835	1.1
329.06448	1.2
431.09598	1.7
577.20789	2.3
577.41705	4.3
577.91632	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01889	0.7
55.05509	1.3
56.05022	1.0
59.25703	0.4
61.01152	19.0
69.03416	2.5
70.06594	68.1
70.39492	2.0
72.08156	8.3
81.03428	5.0
83.06104	4.6
84.04512	12.4
84.08132	2.0
85.02906	3.9
86.09716	1.9
97.02896	1.9
99.04465	1.0
101.07140	6.6
104.05122	0.5
107.04964	3.7
109.02884	5.1
111.04359	0.5
118.06885	100.0
120.08156	0.7
122.09647	0.5
122.66078	0.5
124.07601	1.0
127.03915	4.9
129.06595	4.2
129.10231	1.0
132.08127	0.7
136.07593	0.7
138.09163	4.0
139.03891	1.8
144.08109	0.9
145.04930	0.7
146.06044	5.0
155.11774	2.0
157.06100	2.7
159.09171	2.5
163.09013	12.8
173.04436	1.3
177.57332	0.5
181.09857	0.6
182.12892	5.7
183.11308	7.4
187.06007	0.9
188.07077	13.3
194.86641	0.5
200.13982	4.6
205.09747	8.9
210.12421	1.8
226.05333	0.8
228.13499	3.8
243.07967	2.1
246.12733	9.5
274.12204	45.7
275.12442	0.6
287.05243	0.5
304.16547	5.1
345.19559	0.8
356.16534	0.8
373.19064	25.1
399.00790	0.7
414.21231	3.4
415.19763	1.2
432.22269	2.1
560.25031	1.9
577.20441	1.0
577.28253	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	577.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04192	2.3
56.05029	25.4
57.03432	3.5
58.06583	7.4
60.71629	2.3
62.46281	2.1
68.05034	3.7
69.03405	2.1
69.04560	2.3
70.06599	12.6
71.50469	3.9
72.08152	2.0
74.06084	100.0
81.52104	1.8
84.04504	52.4
84.08139	4.9
85.02890	8.7
86.06068	9.6
86.09712	59.3
96.04500	13.9
97.02933	2.3
101.07146	22.0
102.05544	33.0
104.06501	2.5
107.04945	2.5
109.03986	6.6
110.07132	2.7
112.03937	4.9
112.07610	14.4
113.07127	33.0
120.08116	2.4
121.02842	7.9
122.06024	2.4
124.07562	3.6
125.07122	4.7
130.04979	6.2
130.08607	2.8
131.08159	22.4
132.10214	29.8
137.03468	7.7
140.07077	53.5
141.06577	36.6
143.10757	2.7
143.11809	31.4
152.08185	2.2
153.06607	6.2
158.08134	6.0
159.07666	43.3
167.08167	2.9
168.06577	17.0
169.06105	13.6
169.13345	2.5
170.04442	2.4
170.09250	8.4
171.11259	2.7
181.06108	5.1
185.09254	13.0
187.07231	5.5
189.12357	45.2
198.08742	19.3
200.61653	2.1
203.08366	3.5
203.10269	71.8
206.09224	2.8
216.09785	8.2
222.12375	18.6
224.10300	8.8
226.08241	5.2
231.09756	51.4
242.11342	5.3
252.09811	4.7
264.09909	2.5
268.12903	6.0
270.10834	10.9
272.15958	3.8
280.09378	2.6
281.12393	5.4
285.15546	7.2
288.11942	21.6
290.17169	16.4
295.06003	13.8
301.18707	2.7
305.69864	2.2
307.05902	5.7
311.17142	4.0
321.07672	3.2
325.07120	13.6
325.15094	2.3
327.12897	4.0
329.14218	2.9
329.18164	50.1
329.21854	4.1
337.07062	5.7
343.16022	3.6
344.14398	4.5
347.19272	35.6
349.07028	4.4
351.08609	3.1
361.16934	5.9
365.19632	2.1
371.15601	17.6
379.08096	9.6
389.16714	37.2
391.08298	4.9
403.08286	2.9
409.09213	7.2
410.16724	6.8
421.08755	2.8
427.10056	6.0
428.17767	16.1
439.10156	4.2
440.21249	2.9
446.18704	9.9
457.11670	10.0
461.45975	2.2
463.10373	3.1
476.23322	4.2
481.11206	5.0
511.12708	3.3
515.24438	7.1
523.12573	4.5
523.24268	2.9
541.13477	4.7
541.26227	18.8
559.27283	23.2
577.28326	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
56.57994	0.4
59.07364	0.4
60.08165	1.7
69.03433	1.4
70.06593	1.5
70.57000	1.1
70.87924	0.3
71.04974	0.5
73.02917	1.1
73.59160	0.3
75.09786	0.3
77.03947	0.4
79.05502	1.0
79.13161	0.3
81.03421	1.4
84.08154	0.8
85.02927	3.0
86.09711	1.4
87.04473	6.3
89.34326	0.4
91.05489	3.2
95.04964	0.9
97.02893	1.4
99.04493	0.6
99.53916	0.3
103.90617	0.3
105.04501	0.5
106.21758	0.3
107.04965	100.0
108.05303	0.8
109.02887	0.8
111.04553	0.4
115.03931	2.4
115.05453	0.5
115.10522	0.3
117.07029	5.4
127.03940	1.4
130.35486	0.4
133.06598	0.5
145.05447	0.4
145.06496	2.8
147.46536	0.4
148.86755	0.4
153.44202	0.3
155.06036	0.7
161.06027	1.1
167.07045	3.7
173.04558	0.4
173.06046	0.9
181.05034	1.1
187.07565	1.6
188.08286	0.5
189.09126	5.1
205.08572	2.0
213.57858	0.4
231.08029	0.4
233.08102	23.4
234.08420	0.5
251.09186	8.8
264.16034	1.2
310.16550	6.9
387.14532	0.9
393.54990	0.4
416.21078	0.4
417.15720	0.5
420.93729	0.4
472.21750	0.6
578.26013	53.6
579.20447	1.6
579.27631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.094
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86317	1.1
71.49701	1.2
77.85197	1.1
78.95641	2.9
80.72569	1.1
91.84167	1.2
92.39983	1.1
102.35340	1.3
104.97175	7.5
104.99252	2.8
120.96677	2.9
132.96626	5.1
136.09976	1.2
164.69170	1.2
176.95648	8.0
180.97508	1.6
185.04269	4.1
188.95761	1.1
193.73631	1.0
203.05299	9.4
236.97749	100.0
237.03427	11.5
296.98633	11.2
297.04230	2.7
308.98605	2.4
365.05920	1.5
365.10571	31.9
381.07974	3.2
497.38080	1.3
579.21265	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	579.1502
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
50.63320	0.2
51.02375	0.6
51.31738	0.3
53.03952	1.6
55.01880	0.4
55.50438	0.3
56.37154	0.3
68.99780	0.4
69.03434	2.3
69.11839	0.2
69.30511	0.3
70.06599	0.5
70.76107	0.6
71.04976	0.6
77.03925	0.6
79.05498	0.4
81.02991	0.3
81.03422	5.2
84.08116	0.3
85.02913	2.1
88.95493	0.3
91.05486	1.7
93.07079	0.3
95.04974	1.0
97.02898	4.0
99.04461	0.6
101.69845	0.3
102.04659	0.4
103.05475	35.6
105.04542	0.5
107.04921	0.3
109.02895	3.2
111.00809	0.6
121.02862	1.5
127.03928	2.9
131.04938	100.0
132.05328	0.5
133.06468	0.4
137.02362	0.6
145.04916	0.6
145.06471	0.4
147.04413	0.6
149.05991	7.0
151.03946	0.4
153.01852	2.2
161.06013	1.2
165.01866	0.8
167.07083	0.7
171.04454	0.5
179.07114	0.5
181.05077	0.4
183.02821	0.5
187.05998	0.4
188.41183	0.3
213.05524	0.8
258.05200	0.4
275.09180	7.2
287.05518	44.6
288.06070	0.3
293.10330	1.3
329.06522	0.7
336.99744	0.3
454.87582	0.3
547.18848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	11.7
55.01860	2.6
57.03442	1.4
64.27872	1.4
65.03909	1.3
66.41935	1.0
69.03430	17.3
69.68471	7.2
71.01362	1.5
71.04985	3.5
77.58628	1.1
79.05491	2.5
81.03421	68.4
83.01366	1.8
83.04981	2.3
85.02908	18.4
91.05484	88.1
97.02901	19.4
99.04465	20.4
105.03365	1.9
105.07056	2.3
107.04939	1.7
109.02883	62.9
111.04372	2.6
115.05462	6.4
117.07017	5.9
119.04974	1.1
125.02331	1.3
127.03921	100.0
127.50179	1.1
128.04262	1.2
129.08760	1.1
133.06468	6.6
143.04921	5.3
145.04977	5.6
145.06476	3.3
147.04431	2.1
155.03372	1.7
161.04626	2.2
161.05984	42.2
169.04950	11.0
171.04410	13.6
175.03929	1.9
179.07016	9.1
187.06026	12.6
189.05487	2.4
196.57260	1.1
199.07596	1.5
200.19388	1.1
207.06525	1.8
221.08087	3.9
223.07544	2.6
229.07077	9.7
231.06540	1.6
253.07169	1.9
269.08060	1.4
271.08151	2.5
272.09561	1.1
273.15939	1.3
287.09149	2.6
305.10175	4.3
315.08466	2.8
333.09702	6.5
347.11322	1.8
351.10330	1.9
375.10638	2.0
381.95999	1.2
419.11819	2.5
426.56955	1.5
435.17670	1.4
495.85892	1.1
561.15930	3.5
579.17328	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	579.1711
Annotation	vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
52.64267	1.2
57.03434	3.9
69.77142	1.6
70.05577	3.7
71.04995	19.8
85.02909	21.7
91.05536	2.0
99.05591	1.3
119.04941	2.7
121.02872	10.7
124.01091	1.3
129.05470	3.8
145.02907	1.7
148.96272	1.5
149.02304	1.9
150.32903	1.2
163.03934	2.2
165.01830	6.1
183.02895	1.8
195.42490	1.5
213.05515	1.5
217.05028	1.6
222.54594	1.3
227.97688	1.3
255.06367	2.2
256.07254	3.0
267.06555	7.4
270.05185	3.0
271.06036	7.2
281.08069	4.8
283.06027	78.6
284.06778	23.2
284.62088	1.4
285.07510	2.7
295.06113	14.4
295.09354	2.5
297.04742	1.4
297.07687	8.7
307.05957	1.6
308.06769	2.5
309.07584	15.3
311.05264	2.1
313.07065	100.0
314.07681	2.0
321.07559	2.6
323.05493	2.8
323.09064	17.4
333.07523	3.2
337.07043	32.7
343.08084	3.1
349.07126	8.3
351.08646	4.8
361.07181	6.2
367.08170	22.7
379.08160	17.7
397.09192	24.9
415.10172	29.6
420.30103	1.4
433.11334	75.9
579.16547	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
51.99836	0.7
55.01888	0.8
55.05508	1.3
57.03442	8.3
57.08621	0.6
68.99812	0.7
69.03429	5.7
70.06586	2.7
71.05002	35.9
71.50932	0.7
73.02927	2.6
75.04493	9.5
83.04997	5.5
84.08146	1.1
85.02914	40.5
86.09710	0.9
87.04474	1.0
95.04992	1.1
103.00517	0.7
105.03416	0.9
109.02877	0.9
111.04463	5.9
113.06039	0.6
121.02887	8.1
121.06534	1.0
123.49589	0.7
127.03922	0.9
129.05502	13.9
133.02872	0.9
137.02309	0.7
141.33493	0.6
143.08762	0.6
145.04933	0.7
147.04449	1.6
147.06580	3.6
151.03928	0.8
153.01834	2.4
163.03923	3.3
165.01837	2.2
167.07085	5.6
173.05989	1.1
183.02834	1.0
213.05655	0.8
231.06618	1.0
239.09184	1.3
241.05009	0.8
245.04527	0.9
259.05981	1.0
283.05942	1.8
286.04761	1.5
287.05533	100.0
288.05939	1.0
297.07465	1.4
299.05539	12.4
300.06348	2.3
305.52917	0.8
311.05560	3.3
313.07108	3.0
323.05582	1.0
325.07288	3.7
329.06604	18.7
332.52560	0.8
337.07080	1.9
341.06439	1.5
344.08911	0.7
351.08630	1.9
353.06598	12.1
359.07602	1.3
362.90247	0.7
379.08209	5.5
397.04080	0.9
397.09213	16.0
415.10309	8.0
433.11362	23.3
469.62967	0.7
579.20471	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	579.1713
Annotation	vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
51.13219	1.5
51.31507	1.5
57.03432	5.2
60.31120	1.6
60.99939	1.5
63.76734	1.4
70.06587	2.2
70.95762	3.3
70.96089	1.6
71.04996	15.7
81.03399	1.9
85.02520	1.7
85.02914	20.5
86.09697	2.0
119.04935	2.5
121.02887	9.4
129.05438	4.0
149.02246	1.9
159.56947	1.7
163.03879	3.0
165.01831	5.7
167.07051	7.3
183.02930	1.7
217.04857	2.1
267.06445	4.0
271.06018	9.6
281.08017	3.8
283.06039	83.8
284.06802	27.1
285.07617	2.0
295.06088	15.9
297.04495	2.4
297.07452	9.1
308.06827	3.1
309.07541	13.9
313.07074	94.2
314.07397	2.6
323.09146	18.9
325.07062	4.1
337.07071	32.1
338.07211	2.3
343.08337	2.9
349.07040	6.1
349.82816	1.8
351.08548	6.5
361.07007	4.6
367.08047	16.9
379.08133	12.2
387.14340	1.8
397.09232	20.4
415.10211	37.2
415.70233	2.0
433.11353	100.0
527.02246	1.9
579.16705	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	579.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
53.97711	0.8
55.05508	2.4
55.63712	0.7
57.03444	7.0
61.02921	0.8
67.05510	1.6
69.03440	5.3
69.18745	8.9
70.06569	1.2
71.04999	37.6
72.32058	0.8
73.02928	1.8
75.04491	3.5
81.03419	2.6
83.04976	5.0
85.02911	54.7
86.09713	1.1
87.04473	2.0
91.05490	1.6
95.05025	1.0
97.02905	3.1
98.20724	1.7
99.04462	2.0
99.34308	0.9
103.03939	1.0
105.07043	1.4
107.04938	1.6
109.02877	2.6
111.04460	3.4
127.03922	4.1
129.05490	14.8
129.07039	1.0
137.05981	1.8
139.76721	0.8
145.04994	1.9
147.04408	2.0
147.06532	3.9
152.06213	2.0
161.06042	1.3
163.07568	1.1
165.07004	8.1
166.07809	1.9
167.05557	0.8
167.07042	3.3
167.08575	4.4
178.07811	1.4
182.07300	3.1
193.06432	4.9
194.07281	9.6
195.08028	2.4
197.09595	2.2
207.06535	1.1
210.06728	6.7
211.07465	0.9
217.06877	0.9
225.09114	40.0
239.07181	1.7
240.07721	2.0
241.05026	1.1
253.08615	59.3
254.09071	1.4
256.07269	2.0
265.08688	1.0
269.08206	1.0
271.09668	100.0
272.10300	6.6
277.44727	0.9
283.09653	1.7
295.09650	3.4
307.09378	1.0
313.10767	2.3
337.10577	2.0
433.15085	2.0
579.19263	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61581	0.8
58.66671	0.8
71.51093	1.4
86.67896	0.8
104.10559	0.8
111.18704	0.8
115.05457	1.3
117.05760	1.1
118.06557	17.9
127.03925	6.1
130.77759	0.9
132.08075	4.7
142.06503	1.5
143.07269	2.1
144.08086	11.7
146.06020	55.0
147.04436	0.9
151.03928	2.1
159.09157	6.5
165.17041	0.8
170.06053	4.7
174.85756	0.9
188.07079	100.0
189.07434	1.4
199.49187	1.1
205.09737	40.8
213.07553	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	579.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.7
55.05516	8.9
55.55803	1.3
57.03426	4.6
57.07075	4.0
65.03956	2.7
67.05511	43.9
69.03441	1.5
69.07077	11.6
71.05019	2.3
71.08638	2.8
71.24727	2.8
71.96320	1.9
72.18661	1.2
75.83769	1.4
79.05505	12.8
81.03429	9.7
81.07066	50.1
83.04967	1.7
83.08617	8.5
91.05488	11.8
93.07058	16.7
95.04961	2.6
95.08617	44.1
97.06540	2.8
97.10169	4.1
97.44403	1.6
98.33244	1.6
98.98476	100.0
99.35322	1.6
105.07040	6.1
107.08575	11.0
108.50496	1.3
109.02889	6.2
109.10157	19.2
111.08089	3.2
111.11690	1.6
116.99524	1.6
117.07076	1.6
119.08602	6.8
121.10159	7.6
123.11757	8.3
129.75951	1.4
131.08597	1.8
133.10141	7.8
135.11699	6.2
137.13210	1.9
147.11684	3.4
149.13272	4.0
151.14857	3.2
155.01057	95.5
161.13278	3.8
163.14818	4.3
167.57927	1.4
175.14885	4.9
189.16240	1.7
198.45486	1.6
219.54617	1.6
243.02672	2.3
245.22658	15.0
263.23700	28.1
317.06351	11.5
319.26303	2.2
337.27405	65.9
338.27322	1.6
407.27716	2.0
425.29056	2.9
561.27802	2.5
593.53894	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88884	0.1
55.05485	0.2
56.31038	0.2
57.03443	0.9
61.02900	0.2
69.03410	0.7
69.18190	1.7
70.27861	0.1
71.04991	4.3
72.31599	0.1
73.02901	0.4
75.04452	0.4
81.03406	0.3
83.04967	0.6
85.01450	0.2
85.02908	6.9
91.05487	0.2
97.02892	0.6
99.04451	0.2
108.99849	0.1
109.02843	0.2
111.04410	0.2
127.03905	0.3
129.05476	1.6
137.05940	0.2
145.04935	0.2
147.06526	0.5
153.06975	0.3
165.07021	0.2
168.05742	0.2
183.08044	2.9
186.30457	0.2
195.08015	0.7
196.05190	0.4
197.06006	0.7
198.06779	0.3
201.09157	0.2
211.07541	8.7
214.06276	0.4
215.07039	0.2
223.07547	0.4
225.09082	0.3
226.09932	0.4
229.08612	3.9
239.07030	17.8
240.07558	0.4
241.08482	0.3
253.08580	0.4
254.09369	0.2
255.10110	0.3
257.08087	11.5
271.09610	0.8
272.10428	100.0
273.10934	1.1
287.05573	0.2
291.67963	0.2
345.60648	0.2
434.15710	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
55.01854	3.1
55.05510	9.3
55.44501	3.6
57.03434	6.9
61.02919	7.0
62.45456	3.0
67.05507	18.1
69.03430	18.4
69.07054	9.9
70.06593	6.1
71.05516	5.2
71.05852	5.3
72.08163	3.2
79.05482	12.0
81.03417	6.6
81.07065	47.8
85.02912	100.0
91.05495	22.9
93.07056	34.6
95.04939	4.1
95.08609	57.7
97.02896	29.0
99.04426	4.6
99.60909	3.0
105.07038	52.5
107.08599	45.1
109.02883	10.1
109.10162	50.4
119.08595	41.8
121.10139	20.4
123.11693	10.4
127.03943	27.2
133.10156	28.4
135.11694	14.3
145.03912	5.1
145.04959	36.1
145.10149	4.8
147.04347	3.8
147.11694	46.8
149.13235	5.4
161.13326	14.9
163.06007	12.9
170.78699	3.1
175.14801	7.6
203.17961	75.8
221.19034	6.4
243.32034	3.5
252.34259	3.6
290.06393	3.7
322.16263	3.3
332.44290	3.2
341.16388	3.7
382.66531	3.6
385.58801	3.6
391.99835	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56733	1.5
53.03941	3.1
55.01888	2.2
55.05508	10.9
57.03424	2.5
61.02933	3.3
63.02581	1.5
67.05512	22.7
69.03433	8.8
69.07061	11.9
70.75938	5.0
71.04971	2.9
73.02944	2.1
79.05501	15.1
81.03402	3.9
81.07063	53.6
81.07536	4.1
83.08588	3.0
85.02912	38.9
91.05493	18.1
93.07047	39.3
93.07638	2.5
95.04970	3.2
95.08614	66.1
97.02917	8.4
99.04485	3.4
100.11250	1.7
105.07033	69.5
107.08604	58.5
109.02901	4.4
109.10161	55.2
111.11805	2.0
117.07023	3.4
119.07812	3.2
119.08593	47.2
121.10151	20.3
123.11697	11.0
125.09628	2.0
127.03895	11.5
131.04985	2.1
131.08611	2.3
133.10136	28.2
135.11679	14.6
137.06004	2.8
145.04976	12.5
145.10164	3.5
147.04430	2.4
147.11682	47.5
149.13237	3.0
159.11757	2.5
161.13268	18.6
163.06041	6.0
163.14844	10.4
175.14841	10.3
191.54333	1.6
194.11513	1.6
201.16457	2.3
203.17973	100.0
209.75157	1.9
221.18993	7.6
266.51657	1.8
560.52911	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1502
Annotation	Kaempferol 3-vicianoside
Peak:m/z	Relative Intensity
53.03945	0.7
55.01877	0.8
55.65996	0.4
57.03441	10.7
57.96714	0.4
59.04990	0.6
61.02931	3.8
69.03432	15.2
70.06583	0.7
70.89095	1.0
71.01341	1.6
71.04995	0.6
72.08137	0.6
73.02922	23.6
81.03423	2.6
85.02911	22.9
85.03348	0.3
85.03442	0.7
87.04465	1.4
91.03926	0.6
91.05487	0.7
95.21513	0.4
97.02898	22.4
99.04450	1.4
107.04959	1.8
109.02888	2.5
115.03936	13.5
119.04954	1.0
121.02866	1.9
125.96422	0.5
127.03912	6.1
133.04996	2.7
140.19138	0.4
145.04987	5.4
147.04410	4.6
153.01822	3.3
163.06071	0.5
165.01854	1.8
165.03163	0.4
167.06990	0.6
183.02908	0.7
187.05876	0.4
193.04993	0.4
213.05428	1.0
223.05919	0.6
241.07111	0.7
258.05322	1.0
267.63263	0.5
280.95807	0.4
287.05515	100.0
288.06018	0.8
299.05569	1.5
308.36490	0.5
329.06531	1.9
344.16080	0.5
353.06503	1.1
365.06436	0.4
383.07507	1.8
419.09421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1656
Annotation	4,2',3',4'-Tetrahydroxychalcone 4'-O-(6''-O-p-coumaroyl)glucoside
Peak:m/z	Relative Intensity
53.03939	0.6
65.03927	1.4
68.99766	0.3
69.03420	1.2
70.06582	0.9
71.04976	0.5
71.24576	0.4
71.24901	0.3
72.08130	0.5
79.05492	0.4
81.03419	3.7
84.08154	0.3
85.02905	2.3
86.09696	0.4
86.27708	0.3
91.05479	11.4
95.04951	0.5
97.02885	0.6
99.04442	0.3
107.04955	24.7
109.02868	1.8
111.00816	0.3
119.04942	26.3
120.08109	0.3
121.02862	0.8
123.04403	0.5
127.03905	0.6
129.10243	0.4
131.04915	1.2
135.04521	0.3
139.03915	3.7
145.06453	0.4
147.04408	100.0
148.04784	0.6
151.03830	0.5
154.62428	0.3
163.03870	0.3
165.01836	0.6
165.05540	1.7
165.06789	0.5
169.15370	0.3
173.06012	0.6
191.03360	0.4
195.02898	1.2
219.02933	0.6
229.05028	0.4
231.02687	0.3
231.06432	0.3
249.07579	0.3
255.06575	1.2
257.08099	5.1
261.03915	0.5
273.07571	1.0
283.06079	1.0
285.07663	0.3
287.05554	0.6
291.08646	5.4
297.07584	0.3
309.09659	0.9
315.08456	0.4
407.11069	0.5
417.11606	0.3
431.13037	0.4
497.13815	0.3
498.00986	0.3
527.15143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1665
Annotation	4,2',3',4'-Tetrahydroxychalcone 4'-O-(6''-O-p-coumaroyl)glucoside
Peak:m/z	Relative Intensity
51.38919	0.3
53.03944	0.7
54.59951	0.3
55.01896	0.4
57.03432	0.7
59.03401	0.3
65.03940	1.6
68.99792	0.5
69.03423	0.6
70.06593	1.1
70.76230	0.6
71.05006	1.8
72.08164	0.5
73.02917	0.3
81.03437	2.2
84.08145	0.6
85.02454	0.3
85.02921	3.4
86.09710	0.6
91.05491	13.6
95.04971	0.9
97.02905	0.7
107.04966	25.3
109.02875	1.0
111.04420	0.3
119.04955	29.3
121.02872	0.5
123.04438	0.7
129.10271	0.3
131.04944	1.3
133.06462	0.3
133.10214	0.4
137.06023	0.5
139.03900	3.7
147.04424	100.0
148.04770	0.6
150.05330	0.2
151.03915	0.6
153.01759	0.3
163.03961	0.5
165.01842	0.9
165.05519	1.0
171.03038	0.3
173.06036	0.4
177.01816	0.3
183.02939	0.4
187.07581	0.4
191.03491	0.6
195.02902	2.7
219.02882	0.7
231.02884	0.5
255.06583	1.0
257.08102	5.9
257.10641	0.5
261.03860	0.5
273.07651	1.3
285.07623	0.9
287.05560	1.2
291.08667	2.5
297.07623	0.5
303.04803	0.4
309.09750	0.7
315.08655	0.9
339.08685	1.0
351.08298	0.5
399.10745	0.5
417.12079	0.6
467.12881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.187
Annotation	(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03964	2.7
57.03431	13.8
61.50350	2.3
62.31583	2.8
67.20296	2.3
69.03426	3.5
69.16670	25.1
71.04999	48.5
81.03424	4.6
83.04967	2.9
85.02914	68.7
85.03439	3.6
90.61783	2.3
91.05498	7.4
95.04981	3.1
98.20808	4.4
106.24644	2.6
107.04942	18.9
109.02897	3.2
112.53653	2.5
119.04948	16.9
121.02859	4.6
123.04461	3.3
129.05496	10.2
147.04417	68.9
151.03874	3.5
153.01796	4.1
160.61913	2.5
161.06068	4.0
163.03836	4.4
165.01868	23.6
167.07071	9.8
177.01865	9.7
181.04987	2.6
183.02902	5.2
189.01883	4.9
191.03406	18.1
191.07169	2.3
195.02911	100.0
215.03447	2.4
219.02902	34.7
231.02896	16.7
233.04404	3.2
243.03030	4.7
249.03996	4.2
257.08179	5.0
261.03943	16.5
269.04233	3.1
273.07614	4.0
285.07590	22.4
287.05505	5.8
291.08862	2.8
297.07761	17.3
315.08673	33.9
339.08698	28.5
345.08801	2.4
351.08621	11.2
363.08630	3.5
381.09622	14.3
399.10660	17.5
417.11963	16.2
581.21301	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	581.1871
Annotation	(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	1.4
55.01871	1.6
57.03428	0.9
69.03433	0.6
69.08677	0.3
70.81971	0.4
70.82317	0.9
71.01339	0.4
71.04994	0.5
79.05495	1.3
81.03427	1.4
84.08086	0.4
85.02910	3.8
91.04362	0.3
91.05479	1.3
95.01402	0.4
95.04974	1.1
96.17454	0.3
97.02898	1.5
103.03970	0.5
103.05463	0.4
105.04549	0.7
105.07047	0.4
107.04965	100.0
109.02923	1.0
119.04937	2.7
121.02879	2.1
121.06476	0.5
121.85607	0.3
123.04445	0.5
131.04948	1.1
135.04433	0.7
135.07680	0.3
139.03925	1.3
145.06505	0.4
147.04428	8.8
149.06013	1.0
151.03943	1.4
153.01660	0.4
157.06490	0.4
159.04451	0.8
161.06041	1.0
163.03938	2.1
165.01855	0.5
165.47327	0.4
171.04442	1.0
171.52766	0.4
173.06084	1.3
175.03934	1.6
177.01848	0.5
177.05518	1.5
181.04965	1.9
185.06068	0.6
187.03920	1.7
187.07578	0.5
189.05544	1.1
191.03465	1.0
191.07115	0.5
193.04948	3.0
195.02939	1.4
197.06039	0.4
199.03932	0.4
199.07632	0.4
201.05560	1.6
203.03447	1.0
203.07051	0.7
205.04988	4.7
207.06531	0.4
211.07701	0.4
213.05498	1.3
215.03506	0.4
217.05017	4.4
219.02956	1.5
219.06433	2.3
221.04515	1.5
223.05959	1.7
225.05487	1.0
227.07114	0.9
229.04973	2.5
231.06558	2.1
233.04442	0.5
235.05917	1.7
241.04985	2.3
243.06606	1.4
245.04355	0.6
245.08115	0.5
247.06062	6.5
253.05022	0.9
255.06483	1.7
257.08203	1.0
259.06042	7.6
265.05099	0.4
267.06512	1.0
269.04675	0.4
269.07996	0.5
271.06061	3.9
273.07724	1.5
277.07288	1.3
279.06552	0.7
283.06052	2.1
285.07602	1.7
287.05630	1.7
287.09146	1.4
289.06964	2.5
295.06003	0.8
297.07687	1.6
299.05975	0.6
299.09021	2.1
301.07025	4.0
304.48505	0.4
311.09378	1.9
313.07080	4.2
317.10339	0.5
319.08118	0.5
323.09439	0.7
325.07074	3.0
325.10385	0.4
327.08786	1.0
329.10226	3.6
335.09299	0.5
337.06992	0.9
341.10355	1.7
343.08255	1.3
353.10242	7.2
355.08276	0.7
359.09109	0.5
365.10233	4.6
377.10120	2.8
383.11380	5.4
385.09396	0.4
389.10037	1.8
393.09671	0.7
395.11249	7.9
401.12384	0.5
407.11331	7.0
411.10873	0.6
413.12396	3.7
419.11270	7.9
425.12326	3.8
429.12039	0.5
431.13492	14.4
437.12372	1.1
443.13412	2.6
449.12311	7.7
461.12552	5.1
467.13474	4.2
473.12546	1.6
479.13571	4.5
485.14465	2.6
491.13446	2.9
497.14517	7.8
509.14554	3.4
527.15448	2.8
545.16528	2.8
563.17493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01625	1.0
55.01875	10.1
65.03944	24.1
67.05522	4.6
69.03432	2.2
71.01363	1.2
71.04977	0.8
71.51000	1.2
77.03929	0.9
79.05507	4.1
79.18597	0.8
80.02570	0.8
81.03415	2.9
81.07067	1.7
82.04198	4.5
83.04971	1.1
85.02905	4.6
86.09689	0.8
91.05479	5.9
93.03408	13.4
93.07034	1.3
94.04192	0.9
95.01315	2.6
95.04945	4.4
95.08611	1.1
97.02922	1.0
97.06522	1.3
99.04403	0.9
103.05454	2.1
105.03431	1.3
105.04499	0.9
105.07018	2.2
107.04961	8.8
107.08586	1.3
108.02087	4.8
109.02854	1.4
110.03670	19.2
111.04449	16.8
112.52937	0.7
112.91313	0.7
115.05458	2.6
117.07008	1.6
118.04158	0.9
119.04946	3.4
119.08578	1.2
121.02876	16.8
121.03778	1.3
121.06512	2.7
121.75188	0.9
123.04457	2.9
125.05074	1.0
125.05997	20.2
127.03928	1.2
131.04942	3.2
133.02850	2.1
133.06461	1.1
134.03665	0.9
135.04414	4.5
137.02365	0.9
137.05977	5.3
137.51352	0.7
138.03143	0.9
141.05455	1.0
145.06499	3.3
145.10211	0.9
146.03581	1.0
147.04414	3.1
149.05975	3.1
150.06776	0.9
151.03923	54.2
151.05023	4.2
151.07475	1.3
151.12405	0.8
153.05479	85.9
159.04440	2.0
160.05223	1.3
161.06000	3.4
163.03915	2.2
165.05565	1.8
165.07008	4.0
166.07803	1.0
167.07040	7.8
167.08466	1.4
173.05940	4.2
174.06754	1.8
175.07542	2.8
176.06165	1.0
177.05479	2.7
177.06906	0.8
178.06247	3.8
178.07799	4.7
179.07031	1.5
179.08583	4.5
181.04982	3.8
181.06541	4.8
185.06020	1.1
187.03960	0.8
187.07552	1.5
189.05434	0.8
189.07028	2.7
190.07803	2.3
191.07056	2.4
191.08609	2.3
193.04874	0.9
193.06491	1.9
193.08661	1.1
194.07329	3.1
195.06552	2.5
195.08119	2.6
196.07323	2.1
196.08867	1.3
201.05469	2.0
202.06245	1.8
202.07985	1.0
203.06993	2.6
205.04825	1.6
205.06531	3.4
206.07249	4.9
207.06609	1.5
207.08125	8.4
208.08885	1.7
209.06026	1.9
209.09642	1.6
210.06746	1.1
211.07547	1.8
213.09113	2.8
215.07048	3.1
218.07298	3.0
219.08090	2.8
220.05211	1.0
220.08786	1.6
221.05977	2.7
221.09602	2.9
222.06738	2.4
223.07494	4.3
224.08290	6.7
225.09161	1.8
234.06731	7.2
235.07555	7.4
236.08337	3.8
237.05499	1.8
237.09190	6.4
238.06311	0.7
239.06993	1.3
239.10625	2.0
241.08719	1.0
245.08113	12.1
247.07506	2.0
248.04678	0.9
248.08267	1.1
249.05516	1.9
249.09047	6.3
250.06174	1.0
251.07016	4.3
252.07846	23.3
253.08740	4.1
255.47949	0.9
262.06299	2.6
263.07050	5.0
264.07773	4.1
265.05188	1.2
265.08633	5.7
266.09433	3.5
267.06982	1.0
267.10175	11.8
268.07288	1.0
269.08124	2.2
273.10938	1.3
275.06992	1.3
276.07977	1.2
277.08594	4.8
279.06653	2.0
279.09802	1.4
280.07343	7.3
280.10428	1.1
281.08154	5.0
281.10904	0.8
291.06607	1.9
291.09760	1.1
292.07315	3.6
293.08142	5.1
293.11298	0.9
294.08823	1.9
295.09705	17.1
296.10480	2.6
297.07614	2.1
299.09485	1.0
304.07379	1.3
305.08206	2.1
306.08774	1.2
307.06509	0.9
307.09506	4.0
308.06915	1.8
309.07529	3.0
309.10965	1.2
312.10294	1.0
318.08926	1.3
319.09827	1.4
322.08020	0.8
323.09149	81.8
324.09824	3.7
324.13425	0.8
325.10712	4.5
327.12311	2.9
333.11169	0.9
335.09241	2.2
336.10046	1.1
337.10767	3.7
339.12326	4.4
349.10455	1.1
351.12131	1.7
353.10217	3.8
355.11777	100.0
356.12326	0.9
367.11746	10.4
368.12494	1.3
369.13474	1.5
385.12668	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	581.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38538	2.1
51.02394	2.7
53.03940	9.2
55.01867	6.9
55.05518	57.2
57.07064	9.6
59.05012	3.2
62.75962	2.2
64.17973	2.4
65.03960	3.9
67.05511	32.0
68.18103	2.2
69.03432	20.0
69.07070	21.5
71.04982	9.6
71.51665	3.3
79.05490	29.8
81.07059	31.2
83.04990	24.1
83.08149	4.0
83.08624	58.4
85.06541	7.8
87.04459	2.4
91.05482	50.2
93.07053	48.5
95.04979	12.5
95.08622	38.3
97.06544	46.4
97.10172	5.0
98.98466	19.0
102.95009	2.4
103.05495	2.6
105.07042	82.0
107.08602	59.6
109.06523	6.1
109.10146	24.1
111.08079	7.3
113.09649	23.3
115.05468	7.1
116.06230	6.1
117.07021	17.9
119.08590	76.6
121.06519	4.9
121.10158	40.9
123.08096	20.1
123.11729	5.6
125.09622	21.3
128.06259	20.6
129.07025	22.7
130.07796	9.1
131.08569	41.4
133.10141	34.9
135.08049	3.7
135.11719	15.3
135.76291	2.3
136.08876	2.5
137.09595	4.1
139.11174	26.8
141.06976	13.0
142.07776	31.3
143.08578	46.6
144.09328	9.5
145.06555	3.3
145.10153	42.3
147.08061	5.9
147.11711	12.1
149.09651	15.0
149.13297	3.7
151.11226	3.1
153.07001	13.1
153.12730	9.4
154.07759	5.3
155.01030	20.6
155.08562	27.6
155.10635	16.1
156.09351	27.1
157.10135	66.3
158.10896	8.3
159.08069	8.6
159.11714	24.1
161.09628	5.7
161.13266	7.4
165.06943	12.2
166.07730	6.0
167.08569	14.3
168.09384	14.5
169.10146	41.9
170.10925	12.4
171.11703	34.6
173.09627	4.5
173.13274	27.0
175.14842	8.5
178.07787	7.3
179.08582	31.0
179.14281	5.9
180.09373	13.0
181.10143	24.1
181.12227	25.0
182.10910	10.2
183.11705	36.0
184.12500	5.1
185.09631	3.1
185.13202	14.4
186.84966	2.4
187.11258	2.8
187.14842	5.3
191.08586	4.4
191.14351	7.0
192.09355	9.9
193.08557	3.7
193.10173	23.1
194.09369	4.2
194.10875	20.9
195.11700	32.8
195.13782	7.7
196.12457	9.4
197.09531	2.9
197.13287	22.1
199.11150	4.4
199.14830	19.5
201.12643	2.7
203.08519	3.3
204.09488	3.2
205.10153	7.4
206.10954	10.7
207.11713	27.3
208.12485	10.1
209.13272	45.1
210.14032	3.7
211.14873	11.7
213.16432	3.8
215.08531	2.9
215.14410	4.5
217.10161	7.8
217.15942	9.3
218.10971	5.0
219.11688	11.5
220.12468	7.9
221.13268	25.7
221.15388	15.0
222.14130	6.6
223.14841	18.6
225.12843	3.2
225.16432	6.4
229.10106	6.8
230.11053	3.4
231.11760	11.6
232.12502	8.6
233.13266	12.3
234.14154	6.2
235.14832	21.5
236.15620	3.5
237.12758	3.1
237.16406	7.8
239.17735	4.2
242.53453	2.5
243.11755	7.9
244.12437	6.1
245.13171	10.3
245.15497	3.5
246.14023	9.5
247.14874	13.7
247.17168	5.7
248.15671	4.8
249.16461	8.0
251.18063	6.1
255.11761	2.8
257.13290	6.7
257.19046	5.9
258.14142	5.6
259.14709	11.9
260.15735	4.9
261.16388	13.1
263.17993	9.5
265.19565	6.2
265.25192	5.4
269.13425	4.1
269.19064	3.5
271.14804	9.4
272.15622	4.4
273.16278	14.1
274.17145	5.0
275.17780	8.2
277.19302	5.3
282.13852	5.0
283.14899	7.3
283.20465	11.8
285.18646	8.3
287.17810	6.2
289.19470	7.3
299.20483	12.8
301.19397	4.9
309.16302	3.9
311.20392	4.8
313.19482	3.4
315.21243	3.7
317.22711	3.8
325.19489	4.3
327.21033	3.1
335.23834	3.1
339.21127	5.6
339.29016	14.2
345.22067	2.9
355.24283	4.1
364.23895	4.8
367.24121	2.8
377.24506	3.9
383.25818	7.1
395.27356	9.1
413.28363	10.3
507.33179	3.3
525.33478	3.6
563.38446	14.3
581.39880	100.0
582.40564	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	581.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68179	2.0
53.03944	4.0
55.01875	3.6
55.05262	2.8
55.05515	29.1
57.07072	3.7
59.05012	2.5
61.71703	1.8
67.05508	17.3
69.03436	8.0
69.07067	10.1
69.61562	5.4
69.61985	7.4
71.04994	7.0
77.03903	1.8
79.05503	16.7
81.07056	17.9
83.05002	10.4
83.08620	29.4
83.46558	1.8
85.06554	2.3
87.04456	1.9
91.05490	27.5
93.07044	30.3
95.04977	8.6
95.08614	29.7
95.57507	2.2
97.06539	35.2
103.05492	2.7
105.07040	42.3
107.08609	37.3
109.06499	4.8
109.10140	18.3
111.08108	8.5
113.09652	15.8
115.05475	4.1
117.07026	11.4
119.04923	2.1
119.08593	37.9
121.06501	6.3
121.10155	22.9
123.08080	8.5
123.11713	4.3
125.09655	9.5
128.06256	10.9
129.07008	27.9
130.07803	5.2
131.08586	22.3
133.06493	3.0
133.10153	25.6
135.08075	2.5
135.11710	7.2
137.09630	2.0
139.11209	14.4
141.07030	6.1
142.07797	22.2
143.08580	35.6
144.09367	23.6
145.06534	4.7
145.10139	36.5
147.08134	3.9
147.11710	8.6
149.09692	4.2
153.07016	4.2
153.09167	3.3
153.12762	8.2
154.07886	2.2
155.08598	12.8
155.10638	15.7
156.09363	13.8
157.10150	49.2
158.10910	3.4
159.08096	4.9
159.11694	16.9
161.09653	5.4
161.13272	3.7
163.11171	3.4
165.06976	13.9
166.07748	4.2
167.08618	10.4
168.09322	5.2
169.10133	22.6
170.10973	7.1
171.08147	2.1
171.11710	30.2
173.09686	4.6
173.13264	10.9
175.11147	2.7
175.14807	4.1
179.08553	18.2
179.14354	6.5
179.95522	1.8
180.09348	8.9
181.10179	20.1
181.12282	22.2
182.10947	7.1
183.11720	25.3
184.12502	3.5
185.09610	3.0
185.13297	13.6
187.11121	3.5
187.14867	3.6
187.96696	1.8
189.12816	1.9
192.09373	5.3
193.10124	15.6
193.11697	2.6
193.54976	2.0
194.10904	12.3
195.11732	34.3
195.13708	4.9
196.12483	9.6
197.13300	20.4
199.11174	3.1
199.14864	9.8
201.12839	2.5
203.14418	2.9
205.10181	5.3
205.15886	4.5
206.10992	9.3
207.11754	19.4
208.12521	8.8
209.13295	31.0
210.14006	3.4
211.14848	11.8
213.16446	3.9
217.10170	7.3
217.15964	2.6
218.11017	2.7
219.11758	8.3
220.12596	6.0
221.13301	19.8
221.15448	14.0
222.14128	5.5
223.14833	15.4
225.12885	2.5
225.16481	6.2
227.14326	3.4
229.16113	3.4
231.11771	7.2
232.12482	4.6
233.13315	8.2
234.14003	4.0
235.14835	10.7
236.15675	4.6
237.16545	4.4
239.14378	3.1
239.17917	2.7
243.11720	4.2
244.12407	2.4
245.13254	6.2
245.15474	2.9
246.14113	4.2
247.14810	8.9
247.17056	13.4
249.16515	6.0
251.18008	22.6
253.16058	3.1
255.11668	2.4
255.17502	4.3
257.19177	3.1
259.14923	5.4
260.15674	2.3
261.16467	6.9
263.18060	6.1
265.19507	4.0
265.40714	2.0
269.13120	2.3
269.19040	28.9
270.13992	2.0
271.14841	3.8
273.16196	3.7
273.18802	2.8
275.17911	3.8
277.19397	3.5
281.19125	4.0
283.20596	3.2
289.19504	3.6
293.19162	3.5
294.14175	2.2
295.20590	3.1
299.20334	14.3
303.21344	2.4
309.16315	2.4
309.22052	3.1
311.20328	9.2
312.20840	13.0
317.22531	5.0
325.19235	3.1
335.23782	5.3
339.21402	3.8
363.23456	3.9
373.25385	8.8
383.26147	2.9
387.27374	2.2
395.27515	4.8
413.28537	12.9
489.33408	2.8
505.34827	2.9
563.38867	20.2
581.39935	100.0
582.39868	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	582.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01869	2.6
55.05499	5.1
57.03435	6.0
59.04993	1.3
61.02907	1.5
67.05503	2.2
68.99792	1.3
69.03439	14.8
69.07064	2.5
71.04996	30.7
71.35632	1.2
71.35969	1.8
73.02911	2.6
73.06546	3.7
79.05477	4.5
81.03425	12.5
81.07064	16.0
83.04986	10.5
85.02908	56.8
87.00842	18.8
91.05479	1.9
93.07041	10.9
95.04964	2.1
95.08630	2.5
97.02883	8.2
97.06527	1.9
99.04443	4.8
103.03947	3.5
105.01868	20.0
107.04977	2.0
107.08625	8.2
109.02898	12.5
111.04433	16.8
113.02356	1.5
115.37135	1.2
127.03925	30.4
129.01854	3.1
129.05487	7.8
135.11702	20.7
137.05931	1.4
139.03879	2.3
145.04956	7.2
147.02884	4.0
147.06531	3.8
151.03903	1.9
153.12752	100.0
154.13062	1.5
159.03003	1.7
171.06451	1.3
173.04424	1.4
175.04013	1.1
177.05405	1.3
186.20811	1.2
189.03958	6.5
195.06456	1.3
209.08086	1.6
213.04070	6.7
231.05011	9.2
231.08629	2.4
237.07574	8.6
249.06093	5.0
255.08565	6.2
273.06070	1.5
275.07355	1.3
315.10800	4.6
341.08762	5.2
359.09665	6.7
377.10785	6.6
516.00244	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13202	1.7
53.03936	6.4
55.01847	3.5
55.05491	5.0
57.03429	6.5
57.07074	2.4
61.02949	1.8
63.26285	1.4
63.58602	1.6
65.03931	3.2
66.90697	1.9
67.05503	5.2
68.99770	1.8
69.03445	15.0
69.07053	4.2
69.47168	4.3
69.47581	7.9
70.06595	8.4
71.05002	19.7
72.08163	2.3
73.02909	2.1
75.04477	1.8
79.05492	10.7
81.03412	14.1
81.07060	20.5
83.04993	12.3
84.08129	5.2
85.02911	52.9
85.55078	1.6
86.09673	5.7
87.00838	10.8
91.05488	24.0
93.07048	100.0
95.04961	6.0
95.08607	10.8
97.02895	9.0
99.04446	6.1
105.01868	12.5
105.04507	2.2
105.07027	9.9
107.04939	3.5
107.07882	3.2
107.08598	57.0
109.02901	10.9
109.10156	3.6
111.04437	10.3
113.10590	1.9
115.05501	1.8
119.04992	1.7
119.08555	3.3
121.10154	2.4
123.04391	2.9
125.21123	1.7
127.03925	20.2
129.01799	2.5
129.05467	6.8
129.10208	2.6
130.72224	1.6
131.04965	1.6
133.10132	3.9
135.04439	6.8
135.11697	99.2
137.05969	6.6
137.13249	12.9
139.03850	1.9
143.04970	3.9
145.04945	4.4
147.04413	7.2
147.06505	3.0
151.03891	5.2
159.02898	2.9
164.07915	1.9
167.07089	10.6
181.04997	3.7
189.03886	5.7
213.03928	2.6
230.88683	1.9
231.05038	7.0
237.07571	5.9
255.08522	2.7
315.10748	2.2
329.78699	1.6
341.08881	2.5
359.09918	2.5
377.10706	2.1
407.88943	2.0
582.22906	1.6
583.20544	2.0
597.61853	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2015
Annotation	Gnetifolin K
Peak:m/z	Relative Intensity
53.03947	3.4
55.01870	3.7
55.05488	2.6
56.05046	2.0
57.03424	1.9
60.78074	1.6
65.03928	3.9
65.61348	2.0
66.55618	1.6
67.05502	4.7
69.03418	6.6
69.07066	2.2
70.06585	8.4
70.68504	4.4
70.68864	2.9
71.04985	2.6
72.08152	3.6
74.33338	1.9
79.05482	8.5
81.03413	11.1
81.07063	6.0
83.04981	1.9
84.08128	5.1
85.02907	10.9
86.09717	2.0
86.71883	2.2
91.05488	100.0
93.07059	4.7
95.05003	3.9
95.08624	3.5
97.02900	4.3
99.04402	1.9
103.05479	6.8
105.03419	2.5
105.07036	83.3
107.04956	10.7
107.08610	11.7
109.02872	8.7
109.06490	2.2
109.10149	3.6
111.04448	3.0
115.05473	15.5
117.07012	7.3
119.04935	5.3
119.08564	3.2
121.02866	9.0
121.10175	9.1
122.03645	6.0
122.07304	5.5
123.04421	5.1
124.05244	1.8
125.05972	2.7
127.03950	9.3
129.07021	4.0
129.10236	1.9
131.04950	5.7
131.08588	2.4
133.06488	8.0
133.10133	50.1
135.04395	4.1
135.08089	3.6
137.05988	72.0
137.09625	33.7
139.03900	2.6
143.04930	18.6
145.06464	5.9
147.04367	9.4
149.09650	3.3
149.13246	7.2
151.03899	23.8
151.04994	2.9
151.07596	4.4
153.05449	3.6
157.06464	8.0
159.08006	1.9
161.06003	6.1
163.03923	9.5
165.05521	2.3
167.07060	51.5
169.06464	2.1
171.04492	2.1
173.05966	6.3
173.13269	3.0
175.03918	5.2
175.07539	4.2
177.05496	3.7
179.07076	5.2
179.08542	2.6
181.04962	13.6
185.06007	2.1
187.03862	3.4
189.05515	4.3
191.07043	2.7
191.14314	27.8
193.04991	3.2
193.10167	2.3
195.02925	2.0
196.05127	1.9
201.05385	3.5
203.06995	3.9
203.08694	2.6
205.04974	7.9
205.08577	4.9
207.06473	2.8
213.05592	3.4
217.04958	6.6
219.08223	2.6
229.04996	4.4
235.09596	2.6
241.08640	2.4
247.05986	2.1
249.09106	4.2
259.05936	3.6
261.09122	2.8
263.06897	3.6
265.08676	3.5
271.05814	2.6
271.09637	4.1
277.08566	3.7
283.09613	7.5
289.08514	2.4
295.09592	10.4
303.10037	2.6
307.09631	5.9
309.10989	2.5
313.10834	12.0
315.10059	3.2
319.09625	4.8
321.11252	3.9
325.10776	13.0
327.12778	1.9
331.09692	3.3
333.11069	2.0
337.10629	19.0
340.68784	2.0
345.11090	3.6
349.10739	17.1
355.11798	7.2
357.13684	8.9
361.10785	6.0
367.11771	22.9
373.10751	6.6
379.11761	21.0
385.11768	2.6
387.14383	29.0
391.11862	20.9
397.12668	8.2
403.11484	15.0
409.13019	8.9
409.17883	2.5
415.14096	19.3
427.13580	5.6
433.12759	17.8
439.80472	2.0
445.12704	10.0
451.13779	7.4
457.12659	5.2
463.13654	9.5
469.15134	5.1
475.13998	4.5
481.14999	12.9
493.14825	6.0
511.16183	3.9
529.17352	2.7
547.20526	2.1
583.21472	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	583.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01870	3.2
56.54210	0.9
58.59050	1.0
62.71675	1.0
65.03941	3.1
67.05500	3.6
69.03451	2.2
70.05203	4.2
70.06586	3.7
72.08175	1.4
79.05486	5.8
81.03417	4.1
81.07059	2.5
84.08154	2.7
85.02890	5.0
86.09704	1.6
91.05503	6.6
93.03429	2.0
93.07060	2.3
94.04207	2.9
94.38779	1.2
95.04982	3.2
95.08625	2.3
96.08955	1.1
97.02897	1.4
98.20937	1.7
98.21466	1.3
102.04701	1.3
103.05468	16.5
105.03384	2.0
105.07040	5.5
107.04952	7.7
107.08604	2.3
108.02084	2.3
109.02881	1.7
109.06529	1.3
109.10148	1.9
111.04437	1.5
115.05464	5.1
117.07026	4.3
118.04164	3.4
119.04961	2.6
119.08602	2.1
120.05756	1.1
121.06521	3.4
121.10154	2.3
121.92365	1.0
122.03653	4.6
123.04435	3.4
124.05278	1.0
125.05978	3.1
127.03909	2.9
128.06242	1.7
129.07014	2.5
130.04172	1.2
131.04936	26.7
131.08609	1.8
132.05730	2.1
133.02843	5.4
133.06491	5.6
133.10135	5.0
135.04396	2.8
135.08064	1.4
137.05984	66.2
137.09625	3.5
139.07518	1.2
141.05505	1.0
141.06978	1.1
143.04953	2.1
144.05679	1.3
145.06499	4.5
145.10103	1.6
146.03685	2.0
147.04398	3.6
147.08089	1.1
148.05186	9.2
149.05992	3.9
151.03920	100.0
151.05026	8.2
152.04741	1.2
153.05486	2.8
159.11671	1.9
160.05229	1.4
161.05975	6.4
163.07553	20.4
163.08841	1.9
165.05510	4.8
165.06798	1.1
167.07051	19.7
171.04417	1.3
173.06024	4.6
173.13257	1.1
174.06790	1.4
175.07564	6.0
176.04826	1.5
177.05450	3.3
177.09192	1.0
178.06233	1.5
179.07063	1.9
181.04977	20.9
181.08601	1.1
182.44167	0.9
187.07585	3.0
189.05476	2.2
189.09143	2.1
189.16365	1.8
191.07039	86.0
191.14348	1.7
193.08656	2.8
195.06523	3.0
196.07436	1.8
199.07640	1.5
203.07028	3.6
205.06723	1.8
205.08646	4.9
207.08260	1.5
207.10086	1.8
209.08141	4.2
215.07068	1.6
217.08675	1.5
219.10172	2.2
231.06627	1.3
233.08089	4.1
235.07587	1.7
235.09601	6.2
237.09122	2.2
249.09267	1.4
261.09100	1.3
263.09143	8.4
265.08563	1.2
267.10120	1.9
269.08072	1.1
277.08597	2.4
295.09708	2.9
297.11392	1.9
305.08234	1.2
309.11346	1.7
312.09503	1.1
313.11032	1.2
316.86005	1.1
319.09766	1.5
323.09073	1.3
325.10587	2.0
327.12283	3.6
329.13895	2.3
351.12509	1.8
353.82922	1.2
355.11758	8.8
357.13388	4.3
369.13367	4.0
387.14371	16.1
396.88269	1.2
411.14792	1.2
459.16409	2.2
496.37329	1.1
547.19647	1.2
565.20807	1.4
583.21173	2.1
613.55115	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37685	1.4
53.03933	2.0
55.01857	2.1
55.05487	1.8
61.02942	1.7
65.03942	1.9
67.05496	2.8
69.03420	4.4
69.19521	11.7
69.19927	2.8
70.06593	3.7
78.04695	1.8
78.73880	1.6
79.05511	8.6
81.03406	12.7
81.07035	6.6
84.08114	1.4
85.02887	4.7
86.09731	1.5
91.05496	11.5
93.03451	2.2
93.07047	3.1
94.04186	6.4
95.04953	3.1
95.08582	3.7
103.05454	6.1
105.03426	1.5
105.07027	10.4
107.04963	12.1
107.08591	4.1
109.02897	2.5
109.06493	4.0
115.05449	14.8
117.07007	11.5
119.04957	2.6
119.08560	5.3
121.06470	4.3
121.10175	1.8
122.03660	10.1
123.04391	5.6
124.05219	2.3
127.03928	3.2
128.06180	1.7
129.07002	3.9
130.04179	1.8
131.04935	5.1
131.08539	2.9
132.05721	1.6
133.02789	2.5
133.06502	12.2
133.10133	5.0
135.04445	1.6
137.05988	100.0
137.09575	3.8
141.06992	2.6
142.07816	1.8
143.04921	4.3
144.05716	3.2
145.06502	19.4
145.10138	2.9
147.04401	2.5
147.08058	6.0
147.11711	1.8
149.05992	3.4
151.03903	17.2
151.04994	2.4
151.07530	3.4
152.04662	1.7
153.05513	2.4
155.06026	3.8
156.05681	1.8
157.06438	2.2
159.08051	2.8
161.05998	17.0
164.07060	1.6
165.05464	2.7
167.07047	84.8
173.06015	14.9
175.07529	5.4
177.05460	4.3
179.07019	6.0
181.04933	15.7
181.06407	3.2
181.08598	3.1
187.07550	5.3
189.05513	2.0
190.06256	3.0
191.07079	5.0
192.07703	2.0
193.08586	8.5
195.06573	2.7
197.05891	2.6
201.05475	1.7
203.06970	4.5
205.08607	15.5
207.06505	10.7
207.10059	3.2
209.06134	2.1
210.06850	2.2
211.07632	2.7
215.07045	1.7
217.08530	9.3
219.08170	3.6
219.10173	4.6
221.08014	3.0
226.06247	3.1
227.07227	2.1
233.08060	5.4
235.07545	3.0
235.09610	16.3
237.09186	2.1
241.08601	5.2
247.07504	3.8
247.09749	2.2
249.05360	2.0
250.06323	2.2
251.07092	1.8
257.08093	3.6
263.06915	2.7
265.08429	2.1
268.07336	2.5
269.08163	5.7
271.05896	3.9
276.07925	2.3
277.08575	2.6
283.09732	2.5
285.07614	2.5
289.10928	2.9
291.09927	2.2
295.09512	4.3
297.07755	2.2
301.10593	5.0
303.06812	2.0
303.09921	2.3
307.09467	3.4
309.11316	1.9
311.54959	1.7
314.07828	2.4
319.09546	2.9
321.11145	2.1
321.93283	1.7
323.09128	1.8
325.10541	4.0
327.12238	2.3
329.10181	16.1
331.11755	5.4
337.10617	4.1
339.12018	2.9
349.10950	2.0
351.12390	3.9
353.14169	1.9
355.11691	4.3
363.12247	3.1
365.13687	1.7
367.11786	3.8
369.13254	3.5
373.12286	1.8
381.13342	6.5
385.12891	4.4
387.14227	2.8
393.13165	2.9
395.15024	2.1
397.12854	2.6
399.14310	4.3
411.14423	6.9
411.21869	2.5
411.72198	4.4
429.15582	4.2
441.15445	5.1
455.16122	1.6
459.16599	18.6
469.54156	1.8
535.19562	2.2
547.19470	7.0
553.20612	8.8
565.20471	15.7
583.21466	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	583.2177
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
53.03943	4.2
55.01865	2.3
55.05497	1.9
65.03931	2.6
67.05495	4.7
69.03424	4.8
69.83180	5.3
69.83576	2.8
70.06577	3.9
79.05507	8.3
81.03420	10.7
81.07072	3.2
85.02921	3.3
91.05473	9.6
93.07035	3.4
94.04169	6.7
95.04974	2.9
95.08610	2.2
103.05461	7.3
105.07035	12.8
107.04961	14.6
107.08593	5.0
109.02900	2.3
109.10174	2.5
115.05454	13.7
117.07001	6.7
119.04939	4.5
119.08571	4.9
121.06495	3.5
121.10210	2.1
122.03653	8.4
123.04416	7.0
124.05244	4.0
125.05985	3.4
127.03919	3.1
129.06996	3.9
129.44711	1.6
130.04134	1.9
131.04897	6.5
131.08577	3.5
133.02802	2.2
133.06458	9.4
133.10149	11.1
135.04451	2.0
135.08073	2.1
137.05981	100.0
137.09596	7.7
138.06310	1.9
141.07031	1.9
144.05708	2.6
145.06511	16.2
146.03647	2.4
147.04411	2.8
147.08022	2.5
149.05940	2.7
149.13347	2.2
151.03908	16.8
151.04984	2.4
151.07520	3.2
152.04562	1.9
153.05493	3.4
155.06053	3.5
156.05719	3.0
157.06438	2.3
157.75244	1.6
159.04324	2.1
159.08040	4.1
161.05992	12.9
163.07550	2.5
163.56125	1.6
167.07048	76.5
173.05994	12.0
173.13268	2.2
175.07552	5.8
177.05396	3.8
179.07063	6.7
181.04967	14.9
181.06409	3.3
181.08508	3.4
187.07578	3.7
191.07002	4.2
191.14307	7.6
193.08595	7.0
195.06526	2.6
198.06798	2.1
199.07484	2.5
205.08586	13.2
207.06438	8.3
207.10135	2.6
208.29561	2.0
209.08032	3.3
211.07524	4.3
217.08583	8.3
219.08260	3.1
219.10210	3.5
221.07991	2.4
226.06323	2.6
227.06902	2.0
233.08093	5.5
234.06654	1.9
235.07553	3.7
235.09650	18.8
239.07037	2.3
241.08612	8.1
243.06471	3.3
245.07884	2.0
247.09698	2.3
248.08412	1.9
254.05867	2.9
255.06700	2.3
257.08075	2.6
263.06857	2.0
268.07071	2.4
269.08060	6.3
271.05914	3.4
277.08609	2.8
280.07239	2.5
282.05240	2.0
289.10858	2.5
292.07138	2.0
295.09775	2.8
299.09290	2.3
301.10605	6.4
306.08859	1.9
307.09549	4.9
309.11365	2.2
315.12448	2.4
321.07449	2.1
321.11203	1.9
327.12332	2.7
329.10226	14.3
331.11896	4.0
337.10687	3.9
338.22665	2.1
351.12463	2.8
355.11725	3.4
357.13397	3.6
367.11920	2.8
369.13266	3.8
381.13361	7.2
383.15189	2.6
385.12759	3.1
387.14261	5.7
395.14984	2.8
397.12564	2.4
399.14380	4.8
411.14426	5.8
423.14682	2.4
429.15482	4.0
441.15494	4.2
459.16586	18.9
535.19794	3.1
547.19580	7.2
553.20721	9.1
565.20557	14.4
583.21234	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	583.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.2
55.01860	1.2
55.05501	1.2
57.03427	1.3
65.03927	1.7
67.05499	1.5
69.03429	2.1
69.07065	1.2
70.06583	5.1
71.51333	1.3
72.08156	2.0
78.04692	1.5
79.05477	2.9
81.03406	2.8
81.07046	1.3
83.04992	0.9
84.08131	1.8
85.02894	2.9
86.09711	1.6
91.05478	13.1
93.03409	1.2
93.07034	1.0
94.04144	1.6
94.92599	0.8
95.04965	1.9
97.02884	1.1
98.97618	1.0
103.05449	2.3
105.07031	10.0
105.40050	0.7
106.04179	1.2
107.04979	4.3
107.08581	3.0
109.02854	2.0
109.06502	1.5
111.99616	0.7
115.05464	6.6
117.07001	2.8
119.04903	2.9
119.08557	1.2
121.02830	0.9
121.06487	1.2
121.10130	2.1
122.03649	7.2
123.04414	3.6
124.05215	1.0
125.05999	1.3
127.03915	1.8
129.10219	1.1
131.04912	1.7
132.05750	0.8
133.06464	2.5
133.10123	12.0
135.04456	0.9
135.08099	1.0
137.05980	100.0
137.09592	6.4
138.06415	0.8
143.04924	22.3
145.06450	3.6
147.04413	4.9
149.13292	1.4
151.03920	20.6
151.05038	2.0
151.07603	1.0
152.04648	1.1
153.05449	2.2
157.06483	1.2
161.05984	1.4
163.03938	1.0
163.07542	1.1
165.05423	1.3
167.07040	47.3
171.04459	1.0
173.05975	3.7
173.13203	0.9
175.07507	3.7
177.05496	1.1
179.07074	2.0
179.08627	0.9
181.04961	15.4
189.05414	1.6
189.55516	0.8
191.14297	6.6
203.07021	5.3
205.08598	5.9
235.09607	2.6
283.09595	1.7
295.09583	1.4
313.10599	1.1
325.10544	1.6
327.12277	2.6
337.10663	2.6
349.10703	2.0
355.11807	10.4
357.13312	11.6
361.10669	1.5
367.11880	1.4
379.11758	2.3
387.14374	43.0
391.11630	2.7
403.12088	1.7
415.13364	2.0
433.13199	1.3
451.13498	1.2
463.14191	1.1
475.13208	0.8
553.20667	2.2
571.10406	1.1
583.21790	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	583.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.9
67.13365	0.9
68.72890	0.9
71.48108	1.4
71.48452	0.9
77.25562	0.8
79.05468	2.1
81.07044	1.6
91.05463	2.5
93.07036	1.5
95.04992	1.5
95.08603	1.5
103.05477	1.1
105.07053	2.5
107.04966	1.8
107.08588	0.9
109.06458	1.0
118.06545	1.0
119.08618	1.2
131.04947	2.2
145.10085	1.0
147.04491	1.0
148.07529	0.8
186.09146	1.1
201.10294	1.0
204.10168	1.4
215.07065	1.2
216.10201	3.1
230.11797	4.1
245.10577	1.8
251.11852	3.9
252.15030	1.7
254.63548	0.9
258.11316	1.2
263.11850	1.1
264.11444	1.3
265.12244	1.8
276.12418	1.1
280.14487	8.5
292.14481	1.4
296.13757	0.9
301.11942	2.9
304.11795	14.5
306.16098	4.1
314.13101	1.3
319.12946	2.7
328.14465	1.9
330.15903	1.5
340.15085	1.1
342.16068	2.8
343.13086	4.0
343.16809	1.1
350.57538	0.9
356.17679	3.8
374.14877	4.9
384.17511	1.2
386.15219	1.2
387.15894	2.6
401.17114	1.1
402.18314	9.0
407.18924	1.5
415.09256	1.2
415.19055	1.4
435.18289	1.3
436.18951	3.6
446.18802	2.0
481.22437	2.8
493.19870	1.0
495.20203	1.6
506.20724	1.8
509.21964	1.8
511.27219	1.3
523.23907	1.2
565.24835	1.6
568.23218	3.0
583.25519	100.0
584.26074	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
54.40957	3.1
55.05515	18.3
57.07086	12.2
59.05001	4.1
65.03938	3.1
65.41251	2.5
67.05510	26.6
69.03419	9.2
69.07082	20.3
69.37214	6.3
69.37630	14.8
77.66583	2.6
79.05502	31.2
81.07075	33.4
83.04984	8.9
83.08617	9.4
83.81391	2.4
85.06549	5.5
85.08147	2.2
86.04909	2.2
91.05488	61.1
93.06482	4.4
93.07050	70.0
95.04979	9.5
95.08614	40.2
97.06519	2.6
97.10188	3.0
103.05499	5.2
105.06329	4.0
105.07038	82.6
107.08609	48.2
109.06545	13.3
109.10179	19.7
111.08081	3.5
115.05455	6.1
116.06219	4.7
117.07054	19.1
119.06084	2.5
119.08589	96.3
121.06524	4.3
121.10155	50.3
121.11028	3.2
123.08076	18.4
123.11716	6.8
125.06049	3.1
125.09673	2.8
128.06253	15.8
129.06987	25.9
130.07788	9.4
131.08572	38.5
131.19812	2.8
133.06485	4.0
133.10147	45.2
135.08104	8.1
135.11723	17.6
137.09628	11.7
139.11201	3.2
141.06989	12.0
142.07790	28.8
143.08568	53.9
144.09334	7.3
145.10133	60.0
147.08069	18.4
147.11700	17.9
149.09674	7.6
149.13361	4.5
151.07547	12.2
153.07034	5.3
153.09164	3.4
154.07813	3.8
155.08578	21.6
156.09344	22.0
157.10152	63.4
158.10919	8.0
159.08038	5.3
159.11714	30.5
161.09682	5.5
161.13292	7.4
163.11221	7.6
165.07008	9.2
165.09138	32.9
166.07816	4.8
167.08601	17.0
167.10715	9.4
168.09341	9.6
169.10156	32.0
170.10962	13.2
171.08191	2.9
171.11711	38.9
173.13254	32.8
175.11223	5.5
175.14857	11.4
178.07823	4.0
179.08589	24.3
180.09435	7.2
181.10153	22.9
181.12270	6.8
182.10954	10.4
183.11716	32.5
184.12479	4.9
185.13255	25.1
187.11229	3.9
187.14812	9.6
189.12775	8.8
191.14349	12.7
192.09364	7.7
193.10182	22.0
194.10930	17.5
195.11697	34.5
196.12442	9.6
197.13269	30.2
199.11281	3.5
199.14807	18.5
203.14319	15.1
203.28304	2.6
205.10191	4.8
206.10973	10.7
207.11758	23.3
207.13863	7.6
208.12445	8.1
209.13303	37.2
209.15244	2.4
210.14175	6.4
211.14795	17.8
213.12772	4.7
213.16364	4.0
217.10153	5.3
217.15881	13.6
218.10870	6.2
219.11700	8.8
220.12538	6.7
221.13287	21.2
221.15433	72.1
221.25491	2.4
222.14006	6.4
223.14839	22.1
224.15489	2.7
225.16397	8.4
227.14319	2.9
230.10925	5.8
231.11722	7.5
232.12518	5.6
233.13277	16.2
233.15320	4.2
234.14017	4.8
235.14720	14.5
236.15675	5.7
237.16414	11.3
239.17931	4.6
243.11749	3.3
244.12585	3.3
245.13361	7.8
246.14101	9.2
247.14958	12.2
248.15726	4.0
249.16414	14.9
251.17973	4.1
253.19624	3.1
255.17604	3.1
256.12921	2.7
257.13303	5.1
257.19012	6.8
258.14084	4.2
259.14886	7.2
260.15686	7.4
261.16367	12.0
263.18076	9.4
265.19540	11.8
269.18994	3.6
271.14935	3.8
271.20575	4.3
272.15845	3.3
273.16257	5.1
274.17023	3.3
275.17847	13.4
277.19568	5.8
279.17416	4.2
279.20895	3.5
281.18845	3.6
283.20584	20.8
285.16156	4.4
286.19391	3.7
287.17764	4.5
289.19458	3.7
295.20444	3.7
297.22232	6.2
299.17920	5.0
301.19324	3.0
311.20389	3.3
315.21191	3.2
331.24341	9.6
335.23740	3.4
349.25333	10.8
361.25101	3.2
365.24762	2.7
375.26877	6.7
403.30042	5.1
491.35657	5.4
503.35492	3.9
547.39600	2.7
565.40356	24.6
583.41461	100.0
584.42029	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.3
55.05517	11.8
57.07080	10.8
59.05012	4.0
65.03954	4.6
67.05512	23.0
68.99722	1.5
69.03432	8.2
69.07073	15.4
69.59749	10.4
77.03925	2.5
79.05498	23.6
81.07064	27.9
83.05007	8.4
83.08620	8.3
85.06537	7.6
91.05492	45.7
91.12016	1.6
93.07057	49.8
95.04995	8.6
95.08623	32.8
97.06538	5.6
97.36092	1.6
98.20907	1.9
103.05476	4.6
104.21821	1.5
105.04517	2.8
105.07045	69.5
107.05029	1.7
107.08606	39.3
109.06541	8.8
109.10168	18.7
111.08099	3.2
115.05451	5.4
116.06281	2.0
117.07040	16.1
119.08597	75.1
121.06526	4.9
121.10155	44.0
123.08084	17.3
123.11713	6.5
125.06045	3.6
125.09673	2.2
128.06247	11.2
129.07005	15.5
130.07814	5.8
131.08598	28.7
133.06514	2.7
133.10147	32.8
135.08064	9.1
135.11728	12.0
137.09618	10.6
141.07005	10.5
142.07790	24.3
143.08583	42.1
143.09698	2.3
144.09364	6.2
145.10143	43.6
147.08044	14.2
147.11687	13.6
149.09641	7.3
149.13222	3.7
151.07570	15.4
151.11316	1.7
153.06996	4.4
154.07773	3.3
155.08548	15.9
156.09364	22.7
157.10153	55.7
158.10973	7.5
159.08069	3.5
159.11714	27.3
161.09656	3.8
161.13297	7.4
163.11177	7.5
165.07024	6.9
165.09146	37.0
166.07819	2.1
167.08603	11.6
167.10693	10.2
168.09384	8.6
169.10153	25.1
170.10928	9.1
171.11688	27.5
173.09683	3.1
173.13295	22.4
175.11223	4.9
175.14856	5.8
177.09117	2.7
179.08566	15.6
180.09387	6.2
181.10168	16.6
181.12241	4.9
182.10927	9.3
183.11719	28.4
184.12538	4.9
185.09616	2.7
185.13272	18.8
187.11234	4.4
187.14877	5.3
189.12813	7.4
189.16417	2.1
191.14366	8.3
192.09364	5.9
193.10161	17.1
194.10956	13.9
195.11731	22.2
196.12497	6.1
197.09744	1.8
197.13306	23.5
198.14066	1.9
199.11284	2.8
199.14847	14.9
201.12842	2.0
201.16504	3.1
203.14296	15.9
205.10217	5.3
206.10980	6.8
207.11757	18.4
207.13841	6.7
208.12486	8.0
209.13284	24.4
209.15176	2.2
210.14008	3.5
211.11258	2.0
211.14847	10.1
213.16461	4.3
215.14346	3.2
216.09346	3.0
217.10182	3.6
217.15872	7.6
218.11041	3.7
219.11685	9.0
220.12570	6.5
221.13290	14.7
221.15437	64.7
222.14017	3.3
223.14832	14.0
224.15720	2.8
225.16360	7.9
227.14444	2.3
227.17970	2.0
229.10251	2.7
231.11710	6.4
231.17525	2.3
232.12344	3.1
233.13300	10.3
233.15448	7.1
234.14061	5.8
235.14857	15.1
237.12808	1.9
237.16426	7.5
239.18018	3.7
239.39267	1.9
244.12416	2.3
245.13338	5.3
246.14153	6.1
247.14757	8.4
247.17070	2.0
248.15819	3.7
249.16400	10.1
250.17268	2.6
251.17999	4.6
253.19519	1.8
257.13312	2.1
257.19080	5.4
258.14151	2.6
259.14859	6.2
260.15579	2.6
261.16272	7.4
262.17261	1.8
263.17990	6.8
264.18878	2.0
265.19592	6.3
269.19061	3.4
271.14859	2.9
271.20535	2.8
272.15710	2.1
273.16400	3.2
274.17236	2.9
275.17978	9.5
276.18671	2.5
277.19565	4.9
281.18936	2.2
283.20502	14.1
285.16412	3.7
286.17023	2.5
286.19769	2.0
287.17578	2.5
287.20316	2.5
289.19724	4.6
291.21231	1.8
295.20724	5.0
297.22189	3.5
299.20245	2.4
301.19177	2.4
303.21252	3.0
305.22516	2.2
309.22186	2.0
317.22714	1.8
331.24356	5.6
349.25360	6.3
357.25970	2.1
361.25473	2.4
365.25046	3.4
375.26843	7.3
403.30246	7.5
427.30173	1.8
491.34857	3.5
503.35236	4.5
547.39532	3.5
565.40454	24.6
583.41498	100.0
584.42096	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.05515	14.6
57.07069	5.9
59.04996	2.0
62.88230	1.6
65.03966	2.2
66.84571	1.9
67.05507	14.5
69.03428	4.6
69.07065	13.4
71.48241	4.2
75.89542	1.9
79.05490	21.2
81.07055	26.0
83.04979	4.9
83.08621	8.1
85.06543	4.8
91.05486	33.6
93.07050	45.1
95.04993	9.2
95.08614	27.2
97.06525	5.0
100.33603	1.9
103.05450	2.4
105.07030	58.3
107.08592	34.0
108.05775	2.1
109.06526	6.5
109.10162	19.3
111.08113	1.9
115.05461	6.1
117.07047	12.6
119.08587	63.5
121.06512	4.2
121.10147	40.8
123.08048	12.5
123.11707	3.5
125.09679	2.1
128.06238	6.1
129.07034	11.0
130.07785	6.3
131.08572	24.3
133.06509	4.1
133.10133	31.1
135.08044	5.9
135.11699	12.1
137.09644	6.4
139.11208	3.7
141.07022	10.3
142.07787	15.8
143.08585	23.5
144.09354	3.8
145.10123	35.1
147.08060	7.4
147.11711	12.8
149.09637	8.9
149.13298	3.5
151.07529	9.1
153.07018	2.7
154.07713	2.7
155.08537	12.9
156.09373	11.3
157.10135	40.8
158.10954	6.4
159.08012	4.4
159.11697	23.2
161.09683	2.9
161.13304	6.3
163.11249	6.2
163.14600	2.1
165.07036	5.2
165.09123	15.1
167.08562	7.5
167.10692	37.4
168.09419	8.1
169.10136	21.4
170.10904	6.3
171.11690	26.8
173.09695	2.4
173.13237	20.4
175.11211	4.5
175.14856	7.5
179.08530	9.8
180.09383	5.6
181.10104	12.6
181.12259	4.3
182.10904	5.4
183.11702	17.5
184.12500	3.3
185.13322	10.1
187.14854	5.9
187.93977	1.9
189.12755	7.0
191.14384	6.1
192.09320	3.7
193.10204	8.5
194.10941	7.7
195.11703	17.0
196.12486	3.4
197.13240	16.4
199.14828	11.1
201.12697	2.2
201.16472	3.0
202.70268	2.0
203.14375	6.3
205.10214	3.0
206.11009	4.5
207.11722	13.3
207.13864	8.4
208.12498	6.1
209.13249	21.4
210.14032	3.7
211.14839	11.1
213.16551	2.5
215.14371	4.7
217.15939	5.2
219.11743	5.5
220.12624	3.0
221.13283	12.0
221.15419	24.4
222.14177	3.6
223.14798	11.4
225.16309	5.0
229.16019	3.4
231.11723	2.7
232.12451	3.7
233.13248	10.7
233.15096	11.5
234.14061	2.7
235.14838	10.3
236.15594	2.6
237.16437	7.1
239.18100	2.6
244.12595	3.3
245.13306	7.1
246.14046	5.2
247.14824	7.5
247.17134	2.5
248.15605	2.4
249.16423	7.2
251.18050	5.1
253.15790	1.9
253.19672	2.3
257.19009	4.8
258.14246	2.1
259.14752	4.9
260.15677	3.6
261.16403	7.4
263.17972	3.7
265.15778	2.0
265.19629	6.3
269.19165	4.7
271.14957	2.6
271.20575	3.5
272.15298	2.6
273.16406	5.6
275.17929	6.0
281.19025	3.4
283.20590	6.6
287.17834	2.3
289.19537	3.4
295.20462	2.5
305.89609	2.7
307.20569	2.5
333.22168	2.6
335.23584	3.0
349.25247	4.4
361.25296	3.1
365.24683	2.4
371.40189	1.9
375.26926	3.2
403.30188	7.1
427.29877	2.4
491.34973	3.0
503.35837	2.1
547.39252	4.9
565.40393	23.4
583.41461	100.0
584.41528	3.2
606.25702	2.5
612.78113	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
55.05515	6.9
57.07070	5.8
59.05008	1.8
65.03941	1.7
67.05515	14.5
69.03435	4.9
69.07077	8.0
71.24924	3.1
79.05496	13.1
81.07066	19.7
83.04996	2.4
83.08627	4.7
85.06544	4.0
91.05479	19.5
91.19719	1.2
93.07056	31.5
93.82578	1.5
95.04962	3.9
95.08611	25.0
97.06546	3.8
101.34103	1.3
103.05492	1.7
103.09158	1.3
105.04504	1.4
105.07045	33.3
106.27473	1.4
107.04968	5.5
107.08604	22.1
109.06537	3.1
109.10168	8.9
111.08072	1.6
113.09666	2.4
115.05474	1.7
117.07007	6.9
119.08589	32.2
121.06525	3.2
121.10162	22.0
123.08095	15.6
123.11707	3.3
125.09633	2.2
127.11213	1.7
128.06265	2.6
129.06181	1.5
129.07039	6.0
131.08586	12.8
133.06517	2.4
133.10149	19.8
135.08060	7.4
135.11697	5.9
137.09615	7.8
139.11169	2.1
141.06993	2.8
142.07787	9.3
143.08583	17.8
144.09406	2.1
145.10139	24.1
147.08058	14.5
147.11749	5.8
147.25252	1.4
149.09645	3.3
151.07561	16.3
151.40906	1.6
153.06978	1.9
155.08585	6.7
155.10669	1.6
156.09366	5.9
157.10150	22.1
158.10916	3.2
159.08058	2.5
159.11699	11.0
161.09637	3.7
161.13292	4.9
163.11200	4.5
163.91377	1.5
165.07047	2.2
165.09134	29.8
167.08646	4.5
167.10762	1.3
168.09378	2.9
169.10135	11.3
170.10936	4.3
171.11726	13.4
172.12508	2.5
173.09625	2.4
173.13278	8.2
175.11288	2.8
175.14874	4.8
179.08643	5.2
179.14281	1.7
180.09427	1.6
181.10135	6.9
181.12250	3.8
182.10963	4.7
183.11711	10.8
184.12526	1.6
185.13281	11.3
187.11221	2.4
187.14850	4.7
189.12704	6.5
193.10158	5.7
194.10971	4.8
195.11736	9.4
196.12428	3.2
197.13269	11.3
199.11282	1.7
199.14853	4.3
201.16388	3.2
203.14352	15.1
205.10207	1.5
206.10983	3.3
207.11726	7.3
207.13893	6.5
208.12521	5.3
209.13264	11.1
211.14783	6.9
213.16388	3.3
217.15895	2.1
218.10904	2.3
219.11739	3.3
219.17516	2.5
220.12527	2.3
221.13287	7.1
221.15363	58.3
222.13945	2.1
223.14771	7.2
225.16467	3.2
227.14381	1.4
227.18304	1.4
231.17540	3.3
232.12466	1.6
233.13283	4.9
234.13979	2.1
235.14824	5.8
237.16495	3.5
239.18118	2.5
245.13139	2.5
246.14128	1.6
247.14755	2.4
247.17009	3.4
249.16479	4.6
251.18053	1.8
253.19595	3.3
257.19067	4.0
259.14798	1.6
261.16385	4.6
263.18082	3.3
265.19479	3.0
269.19077	2.6
271.20624	2.8
275.18002	3.1
277.19543	2.9
279.21082	2.6
281.94299	1.4
283.20612	4.1
295.20575	2.8
297.22253	5.4
299.20172	2.3
349.25381	2.1
352.24112	2.2
354.68100	1.6
357.25742	2.4
365.24835	3.5
370.39417	1.5
375.27008	6.4
385.28854	1.6
403.29922	9.7
491.35309	3.9
503.35324	6.2
547.39020	2.4
565.40442	30.7
583.41486	100.0
584.42242	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.2
55.05518	18.7
57.07076	9.1
59.04986	5.3
65.03939	3.4
67.05508	27.1
69.03419	8.0
69.07085	20.8
79.05499	34.8
81.07061	45.9
83.04977	11.1
83.08607	14.7
85.06535	5.8
89.06036	2.9
91.05488	53.8
93.07042	69.0
95.04964	13.0
95.07697	2.7
95.08614	39.0
97.06538	9.1
99.08083	3.5
103.05457	8.3
104.71812	3.3
105.04491	4.1
105.07034	87.7
107.04898	4.4
107.08594	54.2
109.06524	10.6
109.10168	24.7
113.09679	3.6
115.05459	5.8
116.06231	3.1
117.07037	18.3
119.08588	100.0
121.06509	2.9
121.10152	61.0
123.08073	7.9
123.11706	10.7
124.44647	2.8
125.06071	3.9
125.09615	6.6
128.06247	14.7
129.07011	18.3
130.07779	10.2
131.08578	39.4
133.10136	51.0
135.08060	10.6
135.11685	17.8
137.09618	12.5
139.11218	5.6
141.07019	12.4
142.07774	29.5
143.08566	40.1
144.09340	9.3
145.10141	57.8
147.08070	9.8
147.11694	19.3
149.09615	11.8
149.13272	7.0
151.07538	8.4
153.06998	4.2
154.07784	6.7
155.08560	21.1
155.10692	4.7
156.09349	17.0
157.10136	53.7
158.10884	8.5
159.08046	6.6
159.11699	32.2
161.09608	7.1
161.13234	5.1
163.11241	8.9
165.06970	7.3
165.09093	13.3
166.07817	4.7
167.08571	11.4
167.10689	39.5
168.09331	6.1
169.10135	31.0
170.10916	8.2
171.11687	30.2
171.13011	4.2
173.09608	6.4
173.13246	31.3
175.11191	5.9
175.14777	13.4
179.08589	13.3
180.09328	9.1
181.10120	16.6
181.12311	4.7
182.10887	11.2
183.11668	27.3
184.12460	9.6
185.13278	21.0
187.14857	12.0
189.12762	4.3
191.14337	9.2
192.09296	7.9
193.10179	16.1
194.10895	18.3
195.11739	24.5
195.13342	4.6
196.12482	7.2
197.13237	19.1
199.11160	3.8
199.14810	30.2
201.16476	6.5
203.14362	8.7
205.10127	3.7
206.10909	7.8
207.11728	14.4
207.13629	5.8
208.12511	10.1
209.13286	23.1
211.14833	13.7
213.12692	4.4
213.16376	5.7
215.14388	4.8
217.10321	3.4
217.15929	21.3
219.11729	9.1
220.12485	7.6
221.13217	18.1
221.15411	29.6
222.13960	4.0
223.14731	14.9
224.15285	3.9
225.12715	3.5
225.16469	4.9
227.14304	4.1
231.11754	6.6
233.13220	12.5
233.15454	16.3
234.14041	3.9
235.14893	11.8
236.15593	5.6
237.16441	8.0
243.11801	4.8
244.36739	2.9
245.13249	7.4
246.13995	4.2
247.14813	7.6
248.15460	4.6
249.16423	9.1
251.18013	8.2
257.18967	5.8
259.14774	7.6
260.15759	4.6
261.16406	9.4
263.17932	10.1
265.19427	6.3
269.19104	5.8
273.16318	7.3
275.17935	12.5
277.19565	4.2
279.17313	3.5
279.20767	3.4
283.20547	14.4
287.17786	3.8
289.19501	7.6
291.20715	3.7
295.20660	4.0
331.24207	4.6
349.25269	7.5
361.25229	5.5
373.24661	3.2
375.26852	4.9
403.30020	5.3
491.35257	7.4
565.40192	20.2
583.41467	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05400	0.2
55.05511	0.2
55.26637	0.2
65.03915	0.3
66.04716	0.3
69.03435	0.4
69.07047	0.3
69.42760	0.4
69.43166	1.3
77.46081	0.2
77.93354	0.2
78.04704	0.8
79.05485	0.8
81.03404	0.3
81.07066	0.3
85.02919	1.4
91.05478	0.8
93.07042	0.4
95.04969	0.5
97.02881	0.5
103.05469	0.8
105.07027	0.8
106.04163	0.7
107.04939	0.9
107.08600	0.2
109.06516	0.3
119.08658	0.3
121.06507	0.6
123.04437	2.8
124.05214	0.8
127.03938	0.3
131.04970	0.6
133.06509	0.5
134.03568	0.3
135.04427	0.3
137.05974	1.9
138.06300	0.6
149.05989	0.5
151.03912	3.3
151.05032	0.3
151.07532	0.2
151.63264	0.2
152.04407	1.1
161.05972	0.7
163.07561	0.6
164.07974	0.3
165.05568	0.2
166.06241	0.4
167.07042	100.0
168.07399	0.7
179.07010	0.5
180.08644	0.4
181.04985	0.5
181.08592	1.0
191.07027	2.1
192.07372	0.9
193.08611	4.6
211.09668	13.6
218.58589	0.2
239.09207	0.3
263.09079	0.4
284.18228	0.2
388.14758	0.5
589.30090	0.2
614.34052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67076	2.1
53.03948	3.8
55.01844	2.3
55.05508	8.2
57.07075	20.9
59.04987	3.9
67.05505	18.1
69.03430	6.9
69.07072	11.5
69.54328	15.8
70.06578	2.4
70.20832	2.0
71.08624	4.5
79.05132	2.4
79.05503	22.3
81.07059	26.8
83.04967	5.9
83.08624	7.3
85.06577	5.0
85.10184	4.4
89.06036	22.2
91.04903	2.4
91.05489	38.1
93.07049	39.7
95.04953	7.5
95.08607	29.1
97.06515	5.9
97.10210	2.6
98.21541	2.7
103.05456	3.8
105.07040	67.1
106.07826	3.5
107.08611	33.2
109.06527	8.4
109.10147	16.7
115.05473	5.1
117.07018	16.7
119.08592	77.0
120.09364	3.9
121.06493	5.1
121.10157	27.9
123.08067	11.9
123.11697	5.6
125.06023	3.8
125.09638	3.5
128.06233	8.6
129.06995	14.2
130.07790	5.1
131.08574	35.5
132.09392	3.4
133.08649	15.6
133.10138	37.5
135.08093	11.2
135.11734	11.7
137.05975	3.3
137.09610	8.4
139.07515	2.6
139.11177	3.2
141.06985	4.3
142.07774	19.1
143.08588	27.3
144.09280	6.6
145.10123	48.7
145.11172	2.2
147.08055	16.1
147.11700	18.1
149.09619	7.1
151.07544	4.1
153.06966	2.3
155.08577	14.3
156.09351	14.3
157.08943	4.0
157.10132	43.9
158.10880	7.0
159.08032	5.6
159.11708	33.4
160.12469	2.5
161.09621	5.2
161.13264	9.0
163.11201	8.0
165.06958	3.7
165.09142	23.4
165.49927	2.1
167.08546	4.6
168.09344	6.1
169.10124	22.0
170.10883	8.4
171.11696	29.7
172.12486	4.9
173.09637	5.2
173.13255	13.9
175.11182	14.2
175.14830	10.2
177.11205	5.5
177.12660	3.5
179.08601	8.8
180.09290	4.6
181.10127	11.5
181.12199	8.5
182.10806	7.6
183.11691	22.1
184.12308	5.8
185.09630	3.6
185.13239	12.9
187.14845	8.6
189.12761	5.2
190.13487	4.1
191.10709	3.2
191.14326	3.7
192.09291	2.6
193.10161	7.0
193.12172	4.3
194.10916	7.0
195.11696	15.4
195.13559	2.6
196.12416	5.0
197.13252	17.6
198.13997	3.9
199.11209	6.2
199.14920	3.6
201.12732	4.7
201.16350	5.3
203.14307	14.8
205.09895	2.1
206.10927	2.9
207.11717	6.2
207.13779	8.3
208.12448	5.2
208.14514	5.7
209.13261	14.9
209.15187	3.3
210.14014	3.2
211.11162	3.4
211.14819	12.1
213.12784	5.0
213.16403	3.1
215.14334	2.8
217.15894	3.6
219.11807	3.8
219.13774	3.0
221.13252	7.7
221.15366	49.1
222.13864	4.6
223.14810	10.3
225.12842	3.2
225.16368	5.3
231.11713	2.9
233.13269	3.5
234.14085	2.3
234.16174	8.1
235.14874	6.4
237.12671	4.7
237.16406	4.4
239.17924	3.8
241.15904	3.3
247.14748	3.4
247.16985	8.9
249.16403	2.4
251.17828	5.2
253.15869	3.8
255.17535	2.6
261.16260	4.9
263.18005	3.5
271.17032	4.0
271.20554	3.4
275.17972	3.0
279.78186	2.3
281.18921	4.1
283.26392	3.7
286.19165	4.4
287.19965	4.0
299.20184	10.5
300.20923	3.0
300.28922	4.2
311.29446	8.7
312.24371	4.1
319.20520	3.7
325.21716	10.4
337.21576	9.4
352.23981	71.7
365.24799	15.7
371.22260	4.9
378.25174	3.3
391.26288	4.4
397.27783	2.9
398.28098	6.9
404.30841	7.3
411.28674	2.4
412.29709	13.5
425.30325	3.7
438.31143	11.3
439.21371	2.4
474.34625	2.2
489.33499	5.5
491.35577	13.6
492.36072	5.5
504.36038	100.0
505.36447	3.2
525.24811	4.8
569.39703	2.7
584.42242	27.9
584.56274	28.2
585.27173	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	584.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56900	1.8
53.03940	4.2
55.05522	10.9
57.07075	13.8
59.04998	2.7
63.64539	1.7
65.03938	2.8
67.05511	15.6
69.03412	6.9
69.07075	13.0
69.85900	5.9
69.86308	3.8
71.08614	2.5
79.05502	18.7
81.07063	29.9
83.04974	5.5
83.08620	5.9
85.06536	4.9
85.76889	1.7
89.06044	11.8
91.05491	40.1
93.07051	46.7
93.88994	1.7
95.04964	7.4
95.08608	29.5
97.06524	4.1
98.20778	2.4
103.05426	2.7
105.05057	1.8
105.07043	62.0
106.07832	3.4
107.04922	2.5
107.08608	37.7
109.06530	8.5
109.10179	13.0
111.08091	2.8
115.05475	4.4
117.07030	16.1
119.06017	1.9
119.08594	83.5
120.09335	5.2
121.06502	4.3
121.10160	26.3
123.08094	12.0
123.11743	4.2
125.05977	2.7
125.09653	2.5
128.06201	7.3
129.07014	14.9
129.41676	1.9
130.07794	7.7
131.08589	41.1
132.09306	5.9
133.08618	11.3
133.10144	38.8
134.10889	2.1
135.08066	15.1
135.11700	11.4
137.09639	12.5
139.07527	2.5
141.06975	5.4
142.07794	19.4
143.08575	40.5
144.09363	11.2
145.10132	58.1
146.10854	2.8
147.08070	18.0
147.11693	15.9
149.09639	9.8
149.13297	4.2
151.07593	8.6
151.11206	3.6
152.08211	1.8
153.07021	2.2
154.04752	2.4
154.07794	3.5
155.08582	15.4
156.09375	14.4
157.06487	1.8
157.10144	58.0
158.10918	11.9
159.08055	5.2
159.11699	34.6
161.09642	12.6
161.13269	8.9
163.11208	10.1
163.14827	2.6
165.06978	6.2
165.09111	25.6
167.08559	8.9
168.09352	5.9
169.10139	21.3
170.10916	9.4
171.07991	2.3
171.11702	32.8
172.12439	7.2
173.09660	4.1
173.13246	24.8
175.11223	15.4
175.14828	12.5
177.09036	3.4
177.11258	3.5
177.12773	5.2
179.08556	6.9
180.09418	3.7
181.10179	13.9
181.12125	8.6
182.10960	8.7
183.11740	25.7
184.12456	5.8
185.09711	4.7
185.12108	1.6
185.13297	17.6
186.14111	2.1
187.11203	3.7
187.14873	8.9
189.12755	9.3
190.13544	7.1
191.10614	3.3
191.14331	3.0
192.09357	2.6
193.10130	12.5
193.12241	9.2
194.10962	6.1
195.11714	17.5
195.13545	2.9
196.12448	6.0
197.09650	2.6
197.13280	23.7
198.14000	5.2
199.11191	5.8
199.14799	6.5
199.90179	1.9
201.12752	5.2
201.16350	3.0
203.14349	17.3
205.12325	2.1
206.10997	4.1
207.11688	11.7
207.13806	11.3
208.12578	4.2
208.14613	5.1
209.09645	2.0
209.13300	15.0
210.13997	3.5
211.11195	5.5
211.14809	13.9
213.12727	3.0
213.16402	3.5
215.14279	2.2
217.15878	4.4
219.11765	4.4
219.13864	6.1
220.12448	3.4
221.13246	9.2
221.15344	57.5
222.13963	3.7
223.11223	3.0
223.14833	13.5
225.12712	3.1
225.16414	6.8
227.14311	3.9
229.15910	3.8
233.13286	3.6
233.15414	2.9
234.14026	3.3
234.16075	10.6
235.14792	6.6
236.15552	2.7
237.12758	6.9
237.16405	5.2
239.17953	3.4
241.15877	3.7
243.13927	2.6
245.13162	3.0
247.14766	2.5
247.16934	10.2
249.16443	5.1
250.17212	2.2
251.18042	2.6
253.15889	4.9
253.19347	2.2
255.17424	2.3
256.26352	3.1
259.17102	2.7
263.14282	2.4
263.17905	4.9
267.17407	2.4
271.16962	4.2
274.19370	3.1
277.19528	3.5
279.17422	2.5
279.58801	2.1
281.19107	4.4
283.20435	2.2
285.18539	3.8
286.19485	3.5
296.21295	3.7
299.20056	11.2
300.20514	2.2
300.28925	3.5
309.22125	2.3
310.19315	4.1
311.20364	2.6
311.29449	6.3
312.20819	2.1
319.20523	3.4
321.18460	2.7
325.21545	12.2
337.21701	11.1
352.23993	75.3
361.25183	3.1
363.22858	2.9
365.24716	14.3
371.22638	5.4
376.27292	2.5
385.27255	1.9
391.26138	3.9
397.27042	2.8
398.28107	6.4
404.30664	5.9
411.28983	3.2
412.29700	14.9
425.30334	4.6
438.31485	15.8
489.33679	4.9
491.34952	11.4
504.36026	100.0
537.62842	2.2
569.39899	3.9
584.42023	20.6
584.56158	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	585.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40197	2.7
53.03941	7.3
55.00121	3.1
55.01857	3.5
55.05511	25.1
55.52783	2.9
57.03429	11.9
57.07061	15.2
65.03928	4.9
66.23820	3.0
67.05178	4.3
67.05509	69.8
69.07073	27.3
70.06576	3.1
71.04975	5.8
71.08629	8.1
71.51901	5.3
73.04745	3.6
74.30064	3.0
79.05077	4.6
79.05499	73.2
81.06596	4.2
81.07059	71.2
83.04974	5.9
83.08598	3.9
85.06553	3.9
85.10166	4.5
89.06031	22.8
90.06336	4.4
91.05476	100.0
93.07047	71.9
95.04971	9.7
95.08061	4.3
95.08608	46.4
97.06536	7.1
97.10150	5.4
103.05439	6.1
105.07038	82.2
107.04974	23.7
107.08606	37.9
107.57843	3.5
109.06509	8.8
109.10149	22.4
115.05449	6.4
117.07030	27.1
119.08591	58.1
121.06528	3.4
121.10145	26.9
123.08093	8.1
123.11670	6.1
129.06973	16.2
131.08569	57.7
133.06432	5.5
133.08623	17.8
133.10130	21.2
134.08919	6.7
135.08038	6.0
135.11682	12.0
141.06961	5.6
143.08539	12.9
145.10114	26.1
147.11661	11.9
149.09633	6.5
151.07489	3.6
155.08501	8.1
156.47107	3.2
157.10173	5.9
159.11674	13.2
161.13309	5.9
169.10117	12.7
171.05867	6.3
171.11659	15.7
173.13206	11.5
175.14862	4.8
185.13173	5.8
187.14828	14.0
195.11664	3.3
197.13222	11.1
205.15881	6.1
211.14859	3.9
215.14285	9.3
221.13297	3.6
233.15375	71.3
239.84171	2.9
251.16385	6.7
267.26547	3.1
307.19043	37.5
311.29309	3.7
312.29645	4.5
335.25815	49.0
352.58322	3.6
372.22586	4.9
442.65106	3.2
511.72360	3.5
567.40533	61.4
569.14825	6.9
585.42285	6.8
585.56580	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	585.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	3.1
53.03945	6.4
55.05271	3.2
55.05516	43.4
57.03419	2.6
57.07067	10.0
57.70070	2.6
59.04980	3.9
61.74651	2.3
65.03947	6.4
67.05505	42.5
69.03420	5.1
69.07076	21.8
69.24323	4.7
69.24728	21.5
71.04984	8.3
72.64778	2.2
73.88583	2.7
79.05495	36.4
81.07064	65.2
83.04989	10.6
83.08622	43.0
85.06535	8.8
87.04488	3.5
91.05487	57.9
93.07047	64.0
94.07384	3.2
95.04978	11.4
95.08607	51.1
97.06538	14.3
99.04474	3.2
103.05476	6.6
105.07040	98.0
107.08603	66.2
109.06555	9.3
109.10165	49.6
113.09663	6.1
115.05476	6.3
117.07018	18.9
119.08595	100.0
120.08817	2.7
121.06512	5.6
121.10150	63.8
123.08129	12.8
123.08935	3.5
123.11712	12.8
125.06010	3.7
125.09651	13.5
128.06248	6.8
129.06996	11.0
130.07785	10.0
131.08588	39.6
133.10139	69.0
135.11719	30.3
137.09581	6.0
137.13297	3.2
139.11194	8.3
141.06990	7.0
142.07779	20.6
143.08574	34.4
144.09312	8.7
145.10139	72.7
146.10544	4.4
147.08051	5.2
147.11710	33.0
149.09631	6.3
149.13293	5.5
151.07552	4.1
151.11205	2.9
155.08569	13.9
155.10623	12.4
156.09312	12.8
157.10149	46.2
158.10895	7.7
159.11707	38.8
161.09680	4.5
161.13251	14.5
163.11176	5.8
167.08565	5.9
167.10713	8.7
168.09293	4.7
169.10130	23.6
170.10962	3.6
171.11710	21.7
173.09628	3.1
173.13275	19.8
174.13571	3.3
175.11131	3.5
175.14882	24.4
179.08591	5.4
179.14314	7.3
181.10161	9.2
181.12231	16.0
182.10876	9.1
183.11710	17.5
183.13396	3.1
185.13225	16.3
187.14825	10.7
189.16306	3.2
191.14336	7.2
192.09273	2.7
193.10155	9.6
193.15910	5.2
194.05141	2.5
194.10916	5.5
195.11705	14.6
195.13638	4.6
196.12407	6.2
197.13281	22.9
198.13905	4.1
199.14857	14.3
201.16357	7.2
205.15930	3.6
207.11821	5.5
207.13658	4.6
208.12471	4.4
209.13292	16.2
211.14830	17.1
213.16492	7.4
215.14288	2.6
219.11650	4.1
221.13260	9.0
221.15427	16.6
222.13855	4.1
223.14841	14.5
225.14830	8.7
225.16638	3.4
233.13301	3.9
233.15436	11.6
235.14767	7.1
237.16461	5.1
239.17999	4.1
246.13818	2.6
247.14763	3.9
249.16385	6.4
259.20569	3.1
261.16324	4.7
263.18192	2.8
267.21109	5.7
279.21048	4.1
302.61404	2.9
351.27283	3.0
371.27246	2.7
399.30597	6.4
567.41522	14.5
585.42828	27.1
585.56335	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	586.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01369	1.0
53.03943	2.2
53.95667	1.1
55.01862	2.2
60.92120	1.0
64.40881	1.2
65.03950	2.9
66.92444	1.1
70.06599	8.6
71.04985	1.3
71.51354	1.2
71.51701	1.5
72.08150	2.7
75.04482	3.0
78.04703	2.6
79.05483	2.4
81.45761	1.1
84.08137	3.4
85.02890	5.4
86.09698	5.6
89.03983	1.3
91.05486	9.8
93.03405	9.8
93.07067	5.7
95.04964	3.3
97.06557	2.6
103.05486	6.3
105.07020	5.1
106.04176	27.7
107.04964	1.7
118.04200	1.5
119.04932	1.3
121.06516	26.5
122.78761	1.2
125.05996	5.0
131.04955	2.4
133.02863	4.9
133.06494	5.1
134.03670	2.8
137.05971	7.3
138.06805	2.2
139.07585	2.8
147.04408	2.8
148.05200	2.9
149.05994	41.1
151.03847	1.9
151.07527	2.7
153.09099	10.2
157.07666	1.2
161.05971	9.3
163.07494	2.6
165.05486	2.1
166.06302	1.2
169.13351	1.7
177.05467	21.9
177.09035	1.6
179.06990	1.5
181.08598	19.2
191.07027	11.9
193.08563	8.7
197.13022	1.2
198.24762	1.2
209.08107	100.0
270.99493	1.2
341.13785	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01866	4.4
69.03434	3.3
69.51852	5.5
69.52257	10.4
70.06589	16.0
72.08166	4.2
75.04436	2.5
79.05466	5.4
81.03398	3.7
84.04494	2.5
84.08149	4.6
84.60517	2.2
85.02908	10.4
86.09698	5.9
91.05495	21.5
93.03400	6.7
93.07048	5.3
95.04966	4.4
97.02859	3.4
98.20715	2.9
103.05473	37.3
105.03352	4.2
105.07024	14.9
106.04174	13.8
107.04960	7.5
109.02908	2.9
109.06548	4.2
119.04956	19.2
121.06506	15.0
125.05961	3.1
127.03899	3.7
129.07069	2.9
131.04938	100.0
132.05707	3.5
133.06516	11.4
136.07567	2.6
137.05954	9.5
146.06017	2.6
147.04408	7.2
148.71014	2.2
149.05983	23.4
151.03946	2.8
151.07584	11.0
151.73886	2.3
152.10854	2.0
153.09111	7.4
159.08014	4.6
161.05992	40.8
162.06668	3.0
163.03931	2.5
163.07550	56.1
167.07048	28.5
174.05507	8.9
175.07529	8.0
177.05475	21.2
179.07068	7.3
181.08586	10.9
187.07596	15.7
191.06973	12.5
192.07986	4.5
193.08687	3.0
199.07559	2.4
205.08597	21.7
209.08104	77.3
217.08630	9.8
235.09666	8.3
276.01004	2.5
309.11090	2.5
310.35403	2.2
341.13760	6.0
371.15039	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	586.25
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57130	1.6
55.01860	2.9
65.03918	2.5
66.22536	1.7
69.03429	2.5
70.06605	14.3
71.04990	4.3
71.51014	2.2
72.08155	5.3
79.05473	2.2
81.03428	4.3
84.08152	5.5
85.02895	9.1
86.09702	3.7
91.04984	2.0
91.05494	19.8
91.54739	1.9
93.03407	6.3
93.07034	4.1
95.05004	1.9
103.04819	2.6
103.05480	40.3
105.07038	11.4
106.04189	9.6
107.04942	7.6
107.77845	1.7
109.06499	2.5
115.05460	2.2
116.10557	2.1
116.90127	1.8
119.04970	17.0
120.08121	1.8
121.06524	14.6
127.03915	3.0
129.06934	2.8
129.10265	2.3
131.04935	100.0
132.05745	2.0
133.06487	11.9
134.03638	2.6
137.05974	9.0
143.06030	2.4
145.04840	2.1
146.06104	1.8
147.04410	6.7
147.07985	2.8
148.05191	3.9
149.06001	26.3
151.07570	9.0
153.09109	7.7
159.08080	5.7
161.05992	40.6
162.06750	4.2
163.07564	51.3
167.07059	28.0
174.05542	6.9
175.07553	5.2
177.05502	15.0
179.07088	9.9
181.08603	11.7
187.07550	15.5
190.06255	3.4
191.07008	8.9
192.07991	4.8
193.08530	2.2
205.08633	20.8
209.08101	63.0
217.08688	3.9
235.09631	8.1
245.11327	4.0
288.22409	1.8
309.11340	1.8
321.11154	3.2
341.13913	5.8
353.13843	3.6
359.14978	2.6
371.14978	3.7
440.11856	1.9
458.37033	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
56.05021	2.2
57.07080	36.2
59.04995	1.0
65.98436	0.9
69.07063	3.1
70.70339	2.7
71.08239	1.4
71.08634	23.6
73.06559	11.4
79.05484	2.2
81.07059	2.8
82.39621	0.8
83.08623	3.5
85.10185	20.2
87.04475	6.9
88.97543	1.2
89.06039	100.0
91.05479	1.2
93.07040	1.6
95.08611	2.6
97.10168	3.4
99.11746	4.8
102.05534	4.3
105.07033	2.2
107.07032	1.4
107.08615	1.4
109.10213	1.2
117.09143	5.7
119.08565	2.4
121.10170	1.3
130.08615	2.5
131.07008	1.0
133.08612	49.5
135.10246	1.2
149.34341	0.9
150.62846	0.9
155.17958	3.9
161.11777	1.4
175.09648	1.2
177.11229	18.6
199.20563	3.7
221.13850	3.3
243.23265	8.3
266.61655	1.1
283.17203	1.4
287.25800	3.6
291.69220	1.0
313.27390	2.9
348.07892	1.0
349.59265	1.1
371.22809	0.9
415.25626	2.3
525.40063	1.4
569.42371	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	587.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66847	0.4
69.60381	2.6
70.06595	1.1
71.63672	0.4
81.07065	1.1
84.08162	0.7
85.02907	0.5
86.09731	0.8
91.05488	0.5
93.07057	1.0
98.21552	0.4
105.07065	0.4
107.08574	0.5
109.02847	0.7
113.00810	0.4
126.00939	0.4
130.81573	0.4
135.11702	0.7
169.04781	0.6
185.04311	0.8
193.12009	3.2
221.11444	0.8
227.05307	0.9
229.06868	0.6
241.70404	0.5
245.06276	2.2
273.27878	0.4
273.60742	0.4
289.05499	0.6
331.10159	0.6
337.16385	1.8
349.10986	0.8
355.17209	5.2
373.11060	1.2
373.17206	0.7
381.18774	0.6
391.12000	1.9
397.18304	6.5
417.10184	0.8
441.17609	0.9
483.21716	0.4
501.23047	10.4
502.23264	0.5
543.24158	34.2
544.24347	1.0
587.23145	100.0
588.23706	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.1
55.01869	2.6
55.05517	12.3
57.03438	3.8
57.07074	5.2
59.04959	1.8
61.02912	7.4
65.03944	4.4
67.05509	34.4
69.03436	24.6
69.07077	22.3
69.19765	4.6
69.20175	16.0
70.06584	4.2
71.04972	5.5
71.08613	2.0
72.08167	3.0
73.02924	4.8
74.09728	3.1
74.29568	1.7
79.05071	2.9
79.05498	30.3
81.03431	12.9
81.06595	4.3
81.07063	71.4
83.04973	4.4
83.08617	14.5
84.08112	4.0
85.02912	59.2
86.09724	2.6
87.04476	3.6
91.03955	2.6
91.05480	24.6
93.06492	2.9
93.07056	48.4
95.04999	10.2
95.08615	85.6
97.02904	20.8
97.06534	12.7
97.10191	4.0
99.04441	7.5
99.08083	6.0
100.11261	3.0
103.03940	3.7
105.07040	53.9
107.04943	7.3
107.08604	73.9
109.02874	7.8
109.06543	11.6
109.10165	74.9
111.04433	3.2
111.08100	11.4
111.11745	3.4
113.02381	1.9
117.07033	5.5
119.04912	3.7
119.08591	47.0
121.06500	5.0
121.10152	47.5
123.08090	11.4
123.11719	24.8
125.09615	2.3
127.03944	13.3
128.06184	3.3
129.05487	4.1
129.07030	2.5
131.08575	11.7
133.06511	4.2
133.07478	2.0
133.10155	32.4
135.08015	6.3
135.11697	42.2
137.05960	5.7
137.09622	4.1
137.13269	11.5
139.07544	10.5
141.09094	1.9
143.08566	4.8
144.09319	3.0
145.02940	2.7
145.04958	9.3
145.06479	2.8
145.10127	18.4
147.08080	4.2
147.11713	33.2
149.09613	2.6
149.13255	28.6
151.07550	3.6
151.14877	2.1
153.09094	5.8
155.08560	2.6
157.08618	2.5
157.10095	6.3
159.11711	25.1
161.09599	3.8
161.13260	29.6
163.07547	3.1
163.14766	9.1
165.09081	9.0
165.12822	2.6
167.07053	2.1
169.10112	3.9
171.11673	5.2
173.13245	7.6
174.13985	2.8
175.14828	14.6
177.05457	6.2
177.09171	2.1
177.16417	11.3
179.10748	2.5
181.08562	2.9
182.15442	2.0
183.11685	2.6
185.13232	3.2
187.14836	9.0
189.09111	4.3
189.16396	34.7
191.17969	100.0
195.10031	2.5
197.13335	2.3
199.14799	4.4
201.16432	16.9
203.17961	24.5
205.19539	5.9
207.10159	7.5
207.17461	2.6
213.09071	2.3
213.16383	4.2
215.17931	8.6
217.19537	37.1
219.17493	2.5
224.88753	2.2
225.11198	23.1
229.19562	6.3
231.21117	2.7
233.19017	4.4
235.20676	2.6
241.19531	3.2
243.12247	8.1
243.21111	6.3
255.21053	4.4
257.22726	5.4
261.13345	12.2
269.22604	2.7
283.24313	2.8
289.16599	2.7
295.24350	2.3
297.25790	7.9
299.27411	14.9
327.30371	3.8
351.30585	2.3
376.18469	2.2
407.36829	29.2
408.37537	2.1
425.38004	12.0
445.00937	2.0
551.40820	2.5
569.41913	5.4
587.23248	2.0
587.34644	2.4
587.43182	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	588.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61616	0.3
56.05037	1.0
57.05831	0.4
69.03436	0.4
69.07074	6.6
70.06605	1.0
71.50996	0.4
74.06087	3.7
84.04514	0.8
85.02898	1.3
86.09710	100.0
87.10085	0.3
97.02883	0.5
97.07656	0.3
98.06065	0.7
99.04469	0.3
102.05565	0.6
109.02891	1.4
116.07134	0.4
126.05513	6.5
126.06382	0.4
127.03931	1.1
137.06009	1.4
145.17950	0.3
148.06053	3.6
153.06624	1.4
157.13367	4.6
161.06024	0.5
169.09795	1.0
185.12898	1.0
187.06026	0.7
191.42010	0.3
197.09227	15.3
198.15208	0.3
199.18100	1.3
215.10269	5.5
215.12166	0.5
227.17690	1.9
238.15565	0.7
243.13495	0.4
247.08203	0.8
261.14459	7.7
282.18079	0.8
291.10129	0.5
298.21277	0.4
300.19186	13.5
310.17621	0.4
323.12900	0.5
328.18677	25.1
374.22729	0.5
388.38223	0.3
433.70923	0.3
441.27097	1.8
461.93875	0.3
526.35596	0.3
570.21466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
57.03436	0.9
61.02922	1.3
66.04741	0.9
69.03415	2.7
69.18700	3.6
69.19129	5.3
70.06589	3.1
77.85710	0.8
79.05482	2.2
81.03429	1.7
81.07042	1.5
84.08143	0.9
85.02903	6.5
86.09710	5.1
91.05476	3.5
91.89851	0.9
94.04177	4.8
95.04976	1.3
97.02876	3.7
98.20718	1.4
99.04459	1.0
103.05453	1.3
105.07028	7.2
107.04937	1.9
109.02876	3.1
109.06516	1.5
110.03267	1.1
114.15437	0.8
115.05462	4.8
122.03650	10.9
127.03901	2.1
128.06203	1.6
131.04918	1.5
133.06519	5.7
137.05983	100.0
141.07011	1.6
142.10933	0.8
145.06578	0.9
146.03635	2.7
147.04378	1.3
149.06046	1.3
153.13281	0.8
156.05701	1.0
161.05991	40.5
163.07532	1.3
167.07005	1.0
169.00768	0.8
171.08131	1.3
175.07568	2.1
184.05220	3.4
187.06039	1.2
187.07545	2.9
191.08563	2.6
199.07527	19.6
202.07755	7.9
203.08592	14.9
204.09283	1.3
215.08607	1.3
219.08109	5.3
220.08781	6.4
230.07332	1.9
231.08067	23.9
232.08791	5.9
235.11182	1.5
247.07660	4.9
248.08380	12.8
249.08971	1.4
259.05020	1.4
259.07574	17.5
260.08350	10.5
261.08981	1.8
262.09900	2.9
263.10693	12.5
265.08505	1.1
275.07053	2.3
276.07800	9.4
277.08597	3.4
280.11002	1.2
291.10159	70.3
292.10803	4.8
293.07996	2.2
295.09839	1.6
295.13174	2.9
308.10391	4.4
323.12790	48.9
380.88275	1.0
417.37274	1.0
522.24835	0.9
589.62756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55318	0.8
53.03942	0.9
55.01863	0.9
55.93179	0.7
61.30488	0.7
65.03915	0.7
67.25930	0.7
69.03423	2.2
69.34341	3.1
69.34766	2.6
70.06576	1.7
77.03952	0.7
79.05486	2.1
81.03419	1.9
81.07059	1.5
84.08137	0.8
85.02910	7.0
86.09704	0.9
91.03986	0.7
91.05463	3.2
94.04210	4.5
95.04991	0.9
97.02885	3.2
98.21557	1.5
103.05460	1.6
105.07032	7.5
107.04948	2.0
107.08612	0.8
109.02853	2.1
109.06548	1.3
110.26450	0.7
115.05470	3.9
122.03644	8.9
127.03911	2.9
128.06215	1.5
131.04953	1.6
133.06483	5.7
137.05980	100.0
138.06348	1.0
141.06979	1.3
143.06061	0.9
144.05719	0.8
145.04897	1.5
146.03688	3.6
149.06052	1.3
151.03908	1.1
156.05753	1.0
159.08038	1.6
159.17242	0.7
161.05981	43.0
167.07114	1.0
171.08076	1.4
175.07527	1.1
177.05432	0.8
179.07043	0.7
184.05206	3.1
187.06012	0.8
187.07559	2.3
191.08574	2.4
192.09340	1.4
199.07532	18.3
202.07780	9.2
203.08565	15.5
204.09297	1.6
205.06514	1.2
215.08578	1.9
219.08063	6.0
220.08899	3.9
229.27222	0.7
230.07271	1.5
231.08052	24.0
231.10252	1.4
232.08925	6.3
235.11346	1.5
237.09010	0.8
245.09641	1.2
247.07561	2.9
248.08351	14.3
249.09064	2.3
258.06906	1.9
259.07547	18.7
260.08255	9.5
261.09100	2.0
262.09930	1.6
263.10684	13.8
264.11099	0.7
265.08707	1.2
272.08142	0.7
275.06964	2.9
276.07791	10.7
277.08636	3.8
287.05347	0.7
290.09189	1.1
291.10156	73.3
292.10767	4.7
293.08099	2.8
295.13284	1.7
308.10455	3.0
321.11258	0.8
323.12787	47.3
324.13159	1.1
338.01889	0.7
420.43048	0.9
439.75491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
57.03436	0.9
61.02922	1.3
66.04741	0.9
69.03415	2.7
69.18700	3.6
69.19129	5.3
70.06589	3.1
77.85710	0.8
79.05482	2.2
81.03429	1.7
81.07042	1.5
84.08143	0.9
85.02903	6.5
86.09710	5.1
91.05476	3.5
91.89851	0.9
94.04177	4.8
95.04976	1.3
97.02876	3.7
98.20718	1.4
99.04459	1.0
103.05453	1.3
105.07028	7.2
107.04937	1.9
109.02876	3.1
109.06516	1.5
110.03267	1.1
114.15437	0.8
115.05462	4.8
122.03650	10.9
127.03901	2.1
128.06203	1.6
131.04918	1.5
133.06519	5.7
137.05983	100.0
141.07011	1.6
142.10933	0.8
145.06578	0.9
146.03635	2.7
147.04378	1.3
149.06046	1.3
153.13281	0.8
156.05701	1.0
161.05991	40.5
163.07532	1.3
167.07005	1.0
169.00768	0.8
171.08131	1.3
175.07568	2.1
184.05220	3.4
187.06039	1.2
187.07545	2.9
191.08563	2.6
199.07527	19.6
202.07755	7.9
203.08592	14.9
204.09283	1.3
215.08607	1.3
219.08109	5.3
220.08781	6.4
230.07332	1.9
231.08067	23.9
232.08791	5.9
235.11182	1.5
247.07660	4.9
248.08380	12.8
249.08971	1.4
259.05020	1.4
259.07574	17.5
260.08350	10.5
261.08981	1.8
262.09900	2.9
263.10693	12.5
265.08505	1.1
275.07053	2.3
276.07800	9.4
277.08597	3.4
280.11002	1.2
291.10159	70.3
292.10803	4.8
293.07996	2.2
295.09839	1.6
295.13174	2.9
308.10391	4.4
323.12790	48.9
380.88275	1.0
417.37274	1.0
522.24835	0.9
589.62756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.4
54.42218	0.4
55.01874	0.5
58.08500	0.4
65.03928	0.6
66.04735	0.6
69.03446	0.9
70.06593	0.9
70.63184	0.8
70.63535	0.6
78.27010	0.4
79.05480	1.4
81.03415	0.7
81.07052	0.5
84.08182	0.8
85.02915	1.2
86.09715	1.8
91.05480	1.8
94.04183	5.3
97.02895	1.1
99.04438	0.5
103.05472	1.5
104.47821	0.4
105.07052	4.3
107.04975	1.3
109.02903	0.8
109.06519	1.7
115.05476	1.4
117.03333	0.4
118.04168	0.6
119.04945	0.4
122.03660	11.0
127.03914	0.8
128.06248	1.8
131.04980	0.9
133.06483	2.7
136.07570	1.1
137.05986	100.0
138.06366	1.1
141.07007	1.0
146.03598	2.4
147.04404	0.5
149.05975	0.6
151.03963	0.5
156.05693	0.8
159.08075	0.7
161.05991	23.4
162.06615	0.4
163.07562	1.0
164.07100	1.3
167.04933	0.5
168.05632	0.6
169.06464	0.5
171.07993	0.7
175.07623	0.8
181.06544	0.5
184.05196	1.3
185.06050	0.5
187.07532	1.8
191.08585	1.3
192.09311	0.8
199.07555	13.7
202.07774	6.5
203.08554	11.0
204.09344	1.2
205.06593	0.6
205.10297	0.4
206.07108	0.5
209.09761	0.4
218.07373	0.5
219.08063	4.5
220.08891	3.4
221.09541	0.9
230.07228	1.1
231.08069	16.2
232.08818	3.7
233.09604	0.8
234.10533	0.6
235.07600	0.5
235.11206	1.0
235.27502	0.5
237.09192	0.9
245.09776	0.5
247.07555	3.8
248.08350	9.8
249.09090	1.4
258.06842	1.1
259.07559	12.2
260.08344	5.4
262.10040	1.2
263.10672	8.1
265.08633	1.2
273.09076	0.5
275.07095	2.0
276.07764	5.8
277.08536	3.0
280.11102	0.5
287.05658	0.7
289.08560	0.5
291.10172	40.1
292.10895	3.7
292.86261	0.4
293.08093	2.6
293.11447	0.9
295.09653	1.1
295.13260	1.4
296.68646	0.5
307.09714	1.0
308.10602	3.8
321.11081	0.5
322.11972	0.4
323.12799	28.4
335.12869	0.8
377.13934	0.6
589.19446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
66.04726	1.0
69.03422	1.0
70.06580	1.1
70.52455	1.2
70.52802	0.8
70.59740	0.5
75.85258	0.6
76.48693	0.5
79.05479	1.6
81.03444	0.8
81.07069	0.7
84.08159	0.7
85.02901	1.7
85.10901	0.5
91.05479	1.7
94.04181	4.9
96.17922	0.5
96.39430	0.5
97.02888	0.9
98.21425	0.7
103.05472	1.4
105.07032	3.9
107.04963	1.5
109.06501	1.4
115.05462	2.2
122.03661	8.9
127.03883	0.6
128.06235	1.0
131.04953	1.7
133.06572	2.8
137.05986	100.0
146.03641	2.8
149.06020	0.7
151.07547	0.7
156.05681	0.7
159.08054	0.7
161.05998	24.3
163.07561	1.0
165.07167	1.0
171.08081	1.3
175.07652	1.2
184.05235	2.2
187.07552	2.1
191.08557	1.9
192.09492	0.9
199.07550	13.4
202.07791	6.3
203.08542	12.1
204.09409	0.7
205.06599	0.7
205.56442	0.5
215.08624	1.1
219.08031	3.0
220.08864	4.0
230.07416	1.4
231.08078	16.1
232.08847	3.7
233.09567	0.7
235.11276	0.9
237.09029	1.3
247.07585	3.1
248.08340	8.4
249.09119	1.3
258.06720	0.8
259.07532	11.6
260.08267	6.7
261.09119	1.5
262.09946	0.8
263.08109	1.0
263.10672	7.8
265.08618	1.4
273.09137	0.8
275.07025	1.4
276.07864	5.7
277.08652	2.5
289.08643	1.0
290.09326	1.1
291.10178	40.0
292.08163	0.7
292.10846	3.9
293.08084	2.6
295.09741	1.4
295.13058	1.2
308.10562	2.8
323.12802	32.9
324.13486	0.6
335.12802	1.0
363.62314	0.7
420.58524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01622	0.2
53.03939	0.2
55.01875	0.2
55.05511	2.1
57.03431	0.9
57.06868	0.1
57.07080	1.3
59.46797	0.1
63.02383	0.4
67.05508	1.6
67.52715	0.2
67.85222	0.1
69.07071	2.4
70.76347	0.1
70.76656	0.2
71.08640	0.6
71.66552	0.2
77.03922	0.2
78.04726	0.4
79.05494	0.9
81.07056	2.1
83.08625	1.1
85.10201	0.2
86.83427	0.1
89.03918	6.2
91.05485	0.9
93.07059	1.2
95.04948	0.2
95.08608	1.8
97.06524	0.2
97.10162	0.6
99.08081	0.2
103.05495	0.4
105.07032	0.4
106.04196	0.3
107.08611	0.6
109.06571	0.2
109.09471	0.1
109.10122	0.8
117.03383	14.8
119.04959	0.2
119.08604	0.5
121.10152	0.7
123.11724	0.2
131.08575	0.2
133.10156	0.3
134.03630	1.0
135.04419	0.8
135.11702	0.7
137.05998	0.4
137.13313	0.2
145.02849	39.0
147.11681	0.3
149.05989	4.8
149.13266	0.4
151.07605	0.2
158.06049	0.5
159.11719	0.2
162.03145	0.4
163.03894	1.1
163.14728	0.2
177.05473	100.0
178.05846	1.0
179.14326	0.2
186.05493	2.0
195.06558	1.3
233.08110	0.1
251.09181	0.4
259.20679	0.2
277.21674	0.2
313.27405	0.2
395.35059	0.3
472.04309	0.1
589.40607	3.7
589.48309	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.9
55.05519	31.7
57.03424	6.7
57.07074	17.3
61.65829	3.8
67.05511	85.9
69.07082	42.2
71.08627	8.0
71.52278	5.6
79.05501	39.3
81.07065	93.1
83.08604	23.9
85.10204	6.1
91.05473	19.9
93.07053	59.5
95.08620	71.6
97.06554	8.0
97.10172	14.9
105.07032	15.9
107.08608	42.7
109.06464	4.2
109.10154	41.5
111.08130	6.2
119.08615	17.1
121.10155	26.7
123.11733	20.7
131.08591	12.5
133.10152	16.5
135.11719	32.4
137.06007	10.8
137.13266	8.1
145.10117	14.4
147.11713	9.1
149.13252	20.2
151.11153	4.6
159.11650	7.9
161.13300	9.8
163.14842	6.0
173.13397	6.1
175.14836	5.3
187.14804	5.8
243.21158	7.8
261.22144	31.8
269.29950	4.0
277.17978	6.8
277.21759	3.8
308.29526	14.3
311.25824	55.3
321.73581	4.0
325.32028	5.3
335.25800	31.8
371.12381	4.2
437.62634	4.3
445.28424	4.0
476.53036	4.8
497.43396	9.0
571.46930	20.3
589.48291	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.05511	22.7
57.03448	11.0
57.07078	46.3
65.03941	6.5
67.05508	48.1
69.07066	22.1
71.08635	31.1
71.43957	4.1
79.05498	38.8
81.07062	56.0
83.08629	18.7
85.10190	16.8
91.05486	59.5
93.07049	48.8
95.04962	2.8
95.08613	52.2
97.10180	9.4
99.08135	2.6
105.07037	64.5
107.08608	30.2
109.06530	2.9
109.10158	24.9
117.07030	16.9
119.08591	61.8
121.10152	22.5
123.11724	8.9
129.07018	8.5
129.07928	2.1
131.08577	23.0
133.10138	42.3
135.11699	20.9
137.05972	7.0
137.13307	2.6
143.08563	8.8
145.02864	3.4
145.10121	19.5
147.11702	43.5
149.09610	3.7
149.13266	14.4
157.10155	9.5
159.11731	18.0
161.13263	40.1
163.14867	5.4
171.11678	15.5
171.39000	2.1
173.12010	2.3
173.13226	13.6
175.11185	3.7
175.14832	15.1
177.05487	6.0
177.12802	3.2
185.13289	12.1
187.14850	3.9
189.16426	3.6
194.80182	1.9
199.14848	7.0
213.16417	3.6
215.18010	2.6
217.19698	2.7
231.17390	2.8
231.21132	9.6
239.23679	5.8
241.19528	43.0
259.20602	92.7
277.17999	5.8
277.21530	2.4
297.22137	2.6
313.27374	100.0
315.23245	8.9
333.24240	53.6
437.31332	2.1
571.47363	11.1
582.04041	2.2
589.48737	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	590.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.7
58.06585	0.3
60.08167	5.9
67.05508	0.4
71.07381	3.4
71.25204	0.3
81.07034	0.4
86.09714	31.6
98.97878	0.3
98.98476	3.6
104.10745	3.1
107.08577	0.2
125.00014	21.1
165.49310	0.2
177.59961	0.2
179.14250	0.3
184.07355	100.0
185.07758	0.5
258.52841	0.3
313.27350	0.4
532.25024	0.3
572.36658	0.9
590.38281	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.4
55.05507	13.0
65.03926	3.1
67.05509	68.2
69.07058	13.2
71.29801	4.8
76.40237	2.2
77.59546	2.1
79.05498	29.9
81.07059	96.9
83.08618	13.6
85.06546	3.4
87.26074	2.3
91.05489	35.3
93.07044	27.9
95.08610	63.2
97.06535	6.4
97.10156	5.5
105.07050	12.9
107.08610	22.0
109.10165	32.3
111.08090	6.2
112.83402	2.6
117.06974	4.2
119.04944	24.8
119.08572	9.8
121.10139	31.4
123.11713	23.7
131.08586	10.9
133.10144	24.4
135.11711	26.3
137.09631	4.7
139.11211	3.9
141.12698	3.6
145.10146	6.5
147.04416	100.0
147.11696	7.4
149.13272	9.5
151.11172	7.9
159.11662	6.2
165.05467	6.5
173.13254	3.2
177.16254	2.4
177.96434	2.2
187.14769	4.1
201.08281	2.1
215.17953	37.5
233.19006	39.9
235.20432	2.6
251.20074	57.4
269.21063	5.9
355.30084	5.5
373.31003	35.0
391.32181	11.6
409.32962	6.9
435.84003	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	591.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
64.98198	0.5
66.04723	0.5
69.25577	0.5
70.46110	1.4
79.05485	1.7
81.07050	1.9
86.14499	0.4
91.05487	5.2
93.07034	0.8
94.04193	4.3
95.04972	1.0
95.08607	0.6
103.05479	2.1
105.07059	1.6
107.04966	2.2
107.08571	0.7
109.06510	1.3
115.05448	3.5
117.07024	1.7
119.04948	1.9
121.06514	1.2
122.03652	8.9
128.06209	2.2
129.07030	2.4
131.04922	2.7
131.08563	3.0
133.06467	2.2
137.05984	100.0
138.06332	1.2
139.07532	1.2
143.04936	1.4
143.08553	3.2
144.05728	0.6
145.02846	1.1
145.06465	3.1
146.03578	2.4
149.05991	1.8
151.07549	9.2
153.07001	0.4
156.01910	0.5
157.06483	2.2
158.07204	0.5
159.04378	0.5
159.08054	1.8
160.05202	5.8
161.05997	9.1
162.03130	0.7
163.07533	3.2
165.09187	1.3
171.08099	3.9
173.05963	0.8
174.06761	3.8
175.07568	10.5
177.05470	1.4
177.09169	1.4
187.07434	0.6
188.08360	2.4
189.09111	13.8
190.02632	2.3
191.10732	2.1
193.41972	0.5
201.05496	1.8
201.09114	0.8
203.06992	0.6
203.10677	15.5
205.04970	15.1
219.06470	0.5
235.11165	0.5
247.06027	23.9
263.10864	0.5
295.13419	1.7
325.14514	1.3
327.15982	3.8
331.93170	0.5
363.58762	0.4
412.97675	0.5
591.21619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.22570	0.7
60.03915	0.6
63.74844	0.6
65.03929	1.1
67.05505	2.2
69.07081	0.8
69.41486	2.3
69.41916	2.9
79.05489	2.5
81.07057	2.4
91.05489	4.3
93.07068	0.9
94.04198	4.3
95.01301	0.8
95.04978	0.8
98.20769	1.6
103.05474	1.8
105.07052	2.0
107.04948	3.3
109.06515	1.6
115.05454	2.8
117.07001	2.1
119.04949	2.0
121.10118	0.8
122.03653	9.0
123.08069	0.7
128.06244	2.6
128.60107	0.7
129.07008	2.8
131.04936	2.9
131.08559	4.0
133.06543	2.1
135.04372	0.9
137.05988	100.0
139.07559	0.7
141.07013	1.0
143.04878	1.0
143.08559	3.8
145.06480	4.2
146.03653	1.9
147.04346	0.9
147.08078	1.0
149.05971	2.3
151.07581	9.7
157.06482	2.0
158.07306	0.8
158.87415	0.7
159.04515	0.9
159.08083	1.6
160.05212	5.8
161.06026	6.1
163.07570	4.0
171.08107	3.4
174.06781	4.6
175.07571	10.4
177.05495	2.7
177.09116	1.7
188.08345	2.6
189.09096	11.3
190.02637	2.7
191.10699	2.3
201.05463	2.6
203.10693	15.6
205.04985	19.3
213.57088	0.7
247.06042	23.4
263.10968	0.8
271.09796	0.7
295.13342	1.6
302.88925	0.7
313.27649	0.8
325.14417	1.7
327.15930	3.7
373.60837	0.7
417.19083	0.9
424.79965	0.9
461.62692	0.7
603.11652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63100	1.2
51.34148	1.3
53.03954	2.7
55.05518	15.2
55.85509	1.7
57.03446	10.2
57.07082	40.5
57.50821	1.1
59.33857	1.2
65.03942	2.1
66.70584	1.2
67.05511	66.6
69.07080	16.1
69.07432	2.5
71.04997	2.3
71.08242	1.3
71.08640	27.5
77.03961	1.4
79.05499	39.5
81.07064	66.0
83.08621	13.8
85.06525	1.8
85.10191	10.9
91.05482	19.6
93.06490	2.6
93.07052	45.1
95.04977	1.9
95.08616	56.4
97.06532	1.8
97.10177	6.4
97.93187	1.2
98.21630	3.0
99.08082	2.0
101.50859	1.4
104.79685	1.1
105.07043	15.8
107.08614	28.1
109.10165	28.2
111.11709	2.0
117.07034	6.8
119.08588	11.5
121.10158	21.2
123.08028	1.5
123.11726	12.6
127.02850	1.3
131.08589	15.5
133.10126	10.7
135.11708	17.0
137.13252	6.4
145.10182	9.3
147.11705	11.4
149.13268	11.3
149.34761	1.5
151.11165	1.2
151.14830	1.7
159.11731	10.5
161.13264	9.1
163.14828	7.6
173.13286	10.1
175.14806	4.0
177.16451	2.7
187.14790	6.0
201.16402	2.2
233.22665	2.1
239.23718	3.5
243.21124	11.4
257.24829	2.0
261.22174	60.9
279.23245	2.9
299.23569	2.8
313.27393	100.0
317.24704	13.3
335.25836	60.9
335.29932	2.4
499.45007	2.5
573.48785	18.2
591.50031	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	592.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.8
53.48022	2.0
55.01867	5.5
55.05505	4.0
56.05037	2.3
57.03432	7.1
60.04525	4.5
61.02921	4.5
65.03928	4.1
68.99782	6.7
69.03438	39.2
69.07050	1.7
70.06597	51.9
71.01344	2.6
71.04977	10.0
71.06913	2.7
71.51353	4.0
72.08158	22.1
73.02912	4.9
74.06079	4.2
81.03429	50.2
83.04977	4.0
84.04508	4.5
84.08151	30.4
85.02911	52.4
85.08491	2.6
86.09711	26.6
86.10203	3.6
87.00845	18.7
91.03944	2.8
91.05489	67.1
95.04963	3.0
97.02305	2.4
97.02901	38.1
99.04461	20.4
102.05552	2.8
105.01868	13.0
107.04974	2.6
109.02895	77.1
110.07177	9.8
111.04444	7.0
112.08740	4.9
115.08673	4.3
116.07133	2.1
117.01881	2.0
119.04949	2.4
119.08528	1.9
120.08097	4.2
121.02856	3.0
123.04468	3.2
124.07685	2.4
125.02400	3.2
127.03927	100.0
127.08713	3.5
129.01869	10.0
129.05540	3.0
129.10229	17.2
136.07616	2.1
137.06029	3.5
141.01828	19.3
145.04984	23.5
147.02875	9.6
151.03897	2.7
153.01891	2.6
155.08194	2.9
159.02940	12.4
159.11319	5.1
161.06018	2.7
165.05461	2.9
166.85616	2.0
167.07056	2.5
182.95193	2.0
187.10858	2.7
189.05440	2.8
193.05016	4.9
199.07616	4.2
207.06509	2.0
213.03984	15.9
231.04999	19.8
231.09950	3.1
231.12424	6.1
235.05939	2.6
249.06003	4.1
273.05991	7.9
285.06009	5.0
287.05463	12.0
288.05984	2.9
291.07169	5.0
303.07211	4.1
339.07138	12.9
343.20911	4.6
357.08267	27.8
375.09305	28.7
393.10129	4.5
555.35742	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1512
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
53.03943	1.1
55.01869	0.8
55.05516	0.7
57.03426	1.7
57.24161	0.4
59.00360	0.3
59.05006	0.9
60.04518	0.4
65.03939	0.6
68.99789	0.7
69.03085	0.7
69.03432	5.6
70.06607	2.7
71.01343	1.3
71.05014	3.0
71.51089	0.3
71.51460	0.4
72.08157	0.6
73.02927	6.0
79.05485	0.8
79.05914	0.4
79.45732	0.3
81.03415	4.4
81.07069	0.7
83.01373	1.9
83.01762	0.4
83.04990	2.0
84.04515	1.8
84.08141	1.6
85.02911	8.4
86.09702	1.7
87.00820	0.4
87.04480	0.6
91.05483	0.7
95.04963	0.4
97.02894	3.7
99.04459	5.7
101.02411	0.4
105.03416	0.4
105.07025	0.5
107.04972	0.7
109.02888	4.8
111.00825	0.8
111.04468	0.9
117.05491	1.5
119.04923	0.5
119.08562	0.4
120.08102	0.8
121.02867	3.3
121.03682	0.4
121.04038	0.3
121.06489	0.4
123.04451	0.3
126.05537	1.6
127.03920	9.8
129.05486	0.5
131.04919	0.5
133.02864	0.6
137.02342	0.7
137.05971	1.0
138.05507	0.9
144.06624	0.5
145.04947	2.5
145.06558	0.5
147.04434	1.1
153.01846	4.4
157.06555	0.7
157.10066	0.4
165.01828	2.0
165.05623	0.5
167.07085	1.1
171.04500	0.4
173.04477	0.8
175.07594	0.4
177.05513	0.6
181.05055	0.4
183.02919	1.2
185.05927	0.6
186.07619	1.0
193.95117	0.4
205.70677	0.4
213.05441	1.3
231.06595	0.5
241.04976	0.6
258.05200	1.3
287.05524	100.0
288.05765	1.8
289.09039	0.8
299.09210	0.4
303.05020	0.6
447.28024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
52.87806	0.3
67.05501	0.3
69.27501	2.2
76.58762	0.2
80.34767	0.3
88.60227	0.2
90.33714	0.2
98.21555	0.5
102.21855	0.2
134.09607	0.3
209.11005	0.3
242.97676	0.3
322.13583	0.3
387.15829	0.6
388.16714	0.4
389.17712	1.2
390.18631	0.3
391.19098	0.3
401.17783	0.5
402.18521	1.0
403.19208	3.3
404.19995	1.2
405.20786	1.7
415.19354	0.4
416.15720	0.5
416.20462	0.7
417.16632	1.1
417.21466	3.7
418.22037	1.2
419.22369	4.9
420.22662	0.3
430.17255	1.4
431.18356	8.5
432.18570	2.3
432.24203	0.6
433.24274	5.9
434.24985	1.3
439.47083	0.3
444.19174	0.6
445.20050	10.5
446.20767	4.7
447.21689	5.4
449.23349	0.6
459.21439	3.5
460.22562	11.1
461.23248	10.1
462.19308	0.3
463.21194	0.4
473.23666	2.2
474.24402	0.7
476.25818	0.7
477.22379	1.3
487.24991	0.9
488.26114	0.3
489.26749	0.7
490.24088	0.4
491.24551	0.9
492.25266	1.3
505.22021	6.7
515.24469	0.4
518.23090	0.6
519.23792	1.1
520.25739	0.3
533.25513	26.5
534.25977	0.9
561.25024	0.4
564.23798	0.9
565.28015	0.8
593.27594	100.0
594.27972	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	593.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34024	0.3
57.30680	0.3
67.05470	0.4
69.07039	0.5
69.52332	2.0
79.05453	0.4
81.07012	0.8
85.76106	0.3
95.08560	0.7
98.20774	0.8
107.08540	0.5
109.10160	0.5
235.42688	0.4
250.37733	0.3
344.13736	0.4
375.16504	0.4
387.15839	0.4
388.16943	0.6
389.17603	1.2
402.18515	1.0
403.19196	3.4
404.19925	1.3
405.20779	1.6
415.19452	0.8
416.20377	0.8
417.16190	0.9
417.21356	3.9
418.21979	1.7
419.22495	3.8
430.17075	1.7
431.18286	8.8
432.18436	1.8
432.24265	0.5
433.19293	0.6
433.24142	7.8
434.24582	1.2
445.19885	10.7
446.20679	4.4
447.21713	5.3
449.23526	0.5
459.21436	3.5
460.22598	13.9
461.23322	13.7
473.23734	3.1
474.24237	0.8
475.47922	0.5
476.25900	1.2
477.27545	0.7
487.24768	1.3
491.24225	1.3
492.25229	1.5
505.21777	4.6
515.24518	0.8
518.23236	1.4
519.24054	0.7
533.25537	49.9
534.25983	1.1
547.26959	0.6
565.28503	1.2
575.26581	0.5
593.27618	100.0
594.28119	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.5
53.03955	2.0
53.13281	0.4
55.01868	0.7
57.03422	0.6
58.23276	0.5
61.02919	1.0
69.03097	0.4
69.03437	6.5
69.62702	0.7
69.63109	2.2
71.05003	1.0
79.05487	1.5
79.61190	0.4
81.03421	6.4
83.01363	0.7
85.02908	10.3
86.09756	0.5
91.05491	0.9
95.04954	1.4
97.02895	8.8
99.04435	2.9
105.04527	1.0
107.04960	100.0
108.05283	0.8
109.02882	22.3
125.72552	0.4
125.81769	0.4
127.03927	14.3
135.24260	0.5
139.03920	1.4
145.04977	3.0
169.04951	4.3
169.68668	0.5
187.06020	10.5
196.78328	0.4
229.07079	2.5
247.08109	5.2
273.64270	0.4
304.20459	0.5
615.46863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
59.10721	0.6
61.02919	1.0
65.78135	0.6
67.68974	0.6
69.03436	8.8
71.04996	1.5
71.14630	1.0
79.05508	1.4
81.03423	7.1
83.01318	0.7
83.04973	0.6
85.02915	10.3
91.05460	1.1
93.07047	0.6
95.04982	0.9
97.02901	9.1
99.04462	5.5
105.06983	0.6
107.04963	100.0
109.02890	26.1
127.03926	30.5
132.94839	0.6
139.03931	1.5
145.04956	3.2
163.89384	0.8
167.07072	0.7
169.04959	5.0
187.06020	11.4
214.74535	0.7
226.81242	0.6
229.07074	9.9
234.67496	0.7
247.08173	11.4
452.78568	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01885	0.5
55.05516	0.6
57.03440	1.7
59.04995	0.4
61.02937	1.5
69.03432	3.2
70.06579	0.4
71.01350	0.2
71.04996	3.2
71.45406	0.3
73.02924	3.5
73.69812	0.2
75.04475	0.3
78.03455	0.3
79.05494	1.8
81.03419	1.7
83.01341	0.2
83.04986	2.0
85.02911	14.7
87.04483	0.6
91.03967	0.6
91.05463	1.3
95.04979	0.4
96.04444	0.3
97.02899	3.7
99.04475	2.4
103.03929	0.3
105.04540	0.2
106.06561	100.0
107.06877	0.6
108.08121	0.9
109.02888	1.0
111.04445	0.4
115.03947	0.5
117.05556	1.0
118.06551	9.8
119.04937	0.3
120.08116	1.9
121.02874	0.4
124.07619	0.7
127.03908	2.6
129.05492	1.0
130.06551	3.0
132.08116	1.6
133.04991	0.7
134.06032	0.9
135.61450	0.2
136.07544	0.3
143.07318	0.3
144.08081	1.3
145.04964	2.9
146.06038	0.3
147.06606	0.5
148.07582	3.0
158.06042	0.5
160.07578	1.9
163.06038	0.5
170.09731	0.5
172.07570	1.2
174.09198	1.2
178.08643	0.3
179.05496	0.2
186.09241	0.3
188.10805	0.4
190.08633	1.0
198.09084	1.1
216.10228	2.1
232.09755	0.4
234.11292	4.2
244.42204	0.2
250.10837	0.9
250.79155	0.2
252.12321	6.0
252.14786	0.4
268.11823	1.1
286.12805	1.1
287.05630	0.4
295.06079	0.8
307.05942	0.3
313.07086	0.2
325.07092	0.7
337.07114	0.4
349.06750	0.3
351.08923	0.4
361.07074	0.3
379.08356	0.4
396.16699	1.1
414.17584	2.9
427.10330	0.3
439.10229	0.4
457.11453	0.4
620.93146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66183	2.4
53.03933	5.3
55.01845	3.1
55.05499	9.0
57.03429	8.5
57.07064	3.3
59.05003	29.3
61.02915	6.5
65.35387	2.5
67.05499	15.3
69.03430	21.8
69.07053	9.3
70.06593	15.8
70.15600	9.6
71.04993	49.2
72.08138	3.9
73.02905	7.7
76.02225	2.9
79.05501	16.6
81.03405	9.3
81.07053	44.6
83.04967	7.3
83.08625	5.1
84.08121	7.0
85.02383	3.9
85.02905	77.4
85.06549	4.2
85.08433	2.5
86.09700	20.5
86.81940	2.5
91.05492	18.3
93.07034	30.2
95.04971	6.2
95.08066	4.2
95.08610	54.3
97.02901	17.9
97.06518	10.9
97.10190	3.2
99.04443	11.1
99.08085	3.6
105.07030	47.6
106.06547	22.2
107.04935	7.1
107.08599	39.0
109.02867	12.0
109.06498	7.7
109.10149	14.8
116.31287	2.4
117.07016	5.1
119.04915	6.8
119.08578	38.8
120.08093	18.1
121.02904	5.2
121.06577	3.8
121.10133	25.0
123.08089	15.8
123.11704	15.3
125.09635	30.3
127.03915	28.2
127.11201	3.3
129.06947	2.8
129.10231	4.0
131.08554	19.1
133.10139	68.7
135.11685	11.2
137.05978	5.4
137.09657	5.4
137.13242	9.0
139.11186	9.2
141.09113	28.3
143.08578	4.9
143.10684	6.3
145.04961	20.5
145.10103	17.5
147.04388	10.3
147.11705	45.5
149.09647	4.4
149.13222	6.7
153.01785	4.1
157.10078	7.8
159.11671	27.4
161.09599	4.1
161.13326	2.7
163.06026	8.2
165.11411	5.0
165.12755	66.0
167.10620	9.4
173.13182	7.1
175.11241	5.9
175.14845	23.5
177.05548	3.0
177.12759	7.9
183.12151	5.2
183.13805	100.0
187.06036	6.0
189.12813	2.8
189.16331	9.5
191.06868	3.2
193.15953	3.0
199.14806	12.7
201.16385	4.8
217.15881	42.1
219.17465	7.8
235.16927	73.5
239.13882	7.9
287.05533	97.4
288.05838	39.1
325.11008	3.2
327.17999	6.1
345.19040	6.2
356.42935	2.9
397.22232	4.4
447.21902	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	594.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26034	2.4
53.03939	6.2
55.01867	3.5
55.05507	10.7
56.78804	2.2
57.07074	6.8
57.96631	2.4
65.03922	4.7
67.05503	19.4
69.03404	3.9
69.07073	14.3
70.89153	6.6
72.09093	2.4
77.03956	2.4
79.05500	27.4
80.06253	2.5
81.07057	23.1
83.04981	6.1
83.08616	3.9
84.68728	2.3
85.06544	6.2
91.05483	56.1
92.06263	2.4
93.07047	45.2
95.04956	10.6
95.08614	28.8
97.02866	2.8
97.06515	2.6
103.05452	7.0
105.07037	81.3
106.07789	4.6
107.04952	4.0
107.08607	39.3
109.02886	3.1
109.06535	8.3
109.10160	16.8
115.03894	2.5
115.05458	10.2
116.06240	4.3
117.07012	35.9
118.07861	3.6
119.04941	3.7
119.08593	100.0
120.09357	5.7
121.06477	7.2
121.10159	25.6
123.04462	3.1
123.08068	6.3
123.11720	4.8
125.02342	3.3
125.09668	3.0
128.06259	15.2
129.07016	29.1
130.07800	10.0
131.04941	4.3
131.08580	57.6
132.09366	5.3
133.06516	3.6
133.10139	68.9
133.83537	2.3
134.10913	3.4
135.04433	3.2
135.08038	10.6
135.11684	13.9
137.06004	2.7
137.09604	3.0
141.07001	14.7
142.07800	18.5
143.08569	53.5
144.09418	14.2
145.06490	7.3
145.10136	79.3
146.10849	3.5
147.08067	11.4
147.11687	21.8
149.09595	5.6
149.13200	5.4
152.06184	3.0
153.07028	6.4
154.07758	4.5
155.08543	26.6
156.09366	23.1
157.10143	55.0
158.10930	12.0
159.08055	11.3
159.11690	48.6
161.06009	4.0
161.09587	5.7
161.13268	6.6
163.11241	2.7
165.07004	8.5
166.07756	6.1
167.08560	16.8
168.09348	10.2
169.10132	30.4
170.10907	9.6
171.08000	5.1
171.11681	34.7
172.12456	5.0
173.05940	3.0
173.09601	4.8
173.13275	29.9
175.07637	3.8
175.14835	22.2
177.05560	2.8
177.12718	5.4
178.07787	5.9
179.07016	4.1
179.08501	16.1
180.09319	9.6
181.10135	22.7
182.10931	12.1
183.11717	28.4
184.12463	7.4
185.09610	2.9
185.13271	21.7
186.14070	4.3
187.07593	5.1
187.11180	3.3
187.14822	16.4
189.09071	4.1
191.08624	2.4
191.14310	4.5
192.09261	5.3
192.15129	3.3
193.10120	17.5
193.15935	2.5
194.10913	11.7
195.07990	4.4
195.11716	28.0
196.12518	9.0
197.09636	7.0
197.13292	22.8
198.14040	5.0
199.07603	2.6
199.11119	5.4
199.14842	8.2
201.09099	2.6
201.12794	6.4
201.16406	11.0
203.14375	4.1
203.93987	2.9
206.10919	5.2
207.11719	17.7
208.12407	8.7
209.13228	30.2
210.14049	5.9
211.14830	15.4
213.16354	3.6
215.06856	3.7
215.14221	3.9
217.15871	10.4
219.11679	5.5
219.17334	3.9
220.08990	2.3
220.12517	5.0
221.13333	11.6
222.10269	2.5
223.11215	5.2
223.14816	15.3
224.11856	2.5
225.12709	4.5
225.16394	7.5
227.05536	4.6
227.10738	2.5
227.14250	3.3
229.16020	2.6
233.13260	6.5
235.11218	4.8
235.14815	5.7
237.12808	3.3
237.16373	9.8
239.17950	5.8
245.13179	3.9
247.11218	4.7
247.14859	3.5
249.07449	3.0
249.16330	2.8
251.17914	5.1
253.19597	2.5
255.17442	3.6
257.19064	3.2
261.16397	5.0
263.18018	3.5
265.19516	9.2
267.17264	2.8
269.19031	3.7
270.19720	4.2
271.20670	4.6
283.20508	3.6
284.21411	3.7
295.20419	3.3
307.20422	2.5
313.14276	4.0
362.26004	3.7
363.26825	4.5
383.18497	10.5
407.18768	3.4
419.29675	2.7
425.19647	3.1
427.21201	3.0
466.23892	3.0
502.25284	8.5
514.26074	2.5
576.30298	4.6
594.31934	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1449
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03938	0.8
53.78059	0.3
63.88129	0.3
65.03947	1.8
67.24854	0.3
69.03442	1.6
70.06613	0.6
70.90588	0.7
71.04982	1.1
79.05493	0.7
81.03419	4.8
85.02907	2.6
91.05482	11.5
93.07065	0.3
95.04955	0.4
97.02902	1.4
99.04453	0.7
103.05459	0.5
105.07040	0.4
107.04964	1.8
109.02893	2.6
111.04459	0.3
115.05435	0.6
119.04948	24.1
119.08542	0.3
121.02851	1.0
121.06535	0.3
123.04460	0.4
127.03919	2.7
131.04916	1.0
135.04362	0.3
137.05978	1.1
141.01843	0.4
145.06476	0.9
147.04416	100.0
148.04909	0.7
153.01822	1.3
153.05470	0.5
161.06108	0.4
163.03819	0.5
165.05508	4.2
165.60353	0.3
167.07057	2.1
175.07582	0.3
181.04982	6.5
187.06012	1.1
205.08644	0.6
220.07327	0.7
235.09795	0.5
272.10455	0.3
287.05515	23.4
291.08649	4.6
299.72922	0.3
306.42883	0.3
307.09756	0.3
309.09711	1.8
325.10706	0.3
339.12109	0.4
385.12833	1.5
415.13791	0.9
416.14658	6.5
549.80060	0.3
595.20782	0.6
617.83026	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97042	0.5
53.03920	0.5
57.03424	1.9
59.65762	0.4
61.02912	1.6
69.03417	0.9
69.93426	2.4
71.04996	8.0
75.04476	0.6
81.03400	1.4
85.02906	14.1
89.33199	0.4
89.80220	0.5
91.03918	0.8
97.02883	1.3
98.21480	0.6
100.39930	0.5
109.02892	1.6
121.02868	1.8
127.03938	2.2
129.05505	2.5
137.02351	1.0
145.04903	0.6
147.06512	1.0
153.01797	3.3
156.40085	0.5
165.01817	1.8
165.47076	0.5
183.02895	1.1
185.06165	0.6
187.06050	1.0
213.05511	1.2
231.50691	0.5
241.05124	0.7
255.10654	0.5
258.05179	0.6
269.04556	0.6
279.01422	0.5
287.05505	100.0
288.05844	1.5
290.20529	0.5
431.31433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03428	2.0
61.69777	0.5
68.99812	0.6
69.03391	0.7
70.90322	1.6
71.04994	12.0
83.04983	1.1
85.02437	0.9
85.02917	15.3
85.03436	0.8
97.02902	1.5
104.55299	0.5
107.04953	0.5
109.02884	0.5
111.00837	0.6
121.02856	1.8
127.03879	0.6
129.05486	3.8
135.86620	0.5
136.63889	0.5
137.02351	0.6
139.84721	0.5
147.06491	1.3
153.01845	3.4
165.01869	1.4
165.50476	0.5
170.19392	0.5
183.02974	1.0
213.05574	1.0
231.06409	0.7
241.05003	1.1
258.05203	0.5
287.05521	100.0
288.05881	1.5
329.06476	0.8
449.11426	0.7
611.17212	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
58.02032	0.3
69.03419	1.5
70.31462	1.5
71.04599	0.7
71.04993	12.0
75.23259	0.3
80.83918	0.4
81.03431	0.7
83.04955	0.4
85.02907	15.2
94.48882	0.4
97.02879	1.0
98.20869	0.4
108.13610	0.3
109.02898	0.5
111.00800	0.4
121.02886	1.3
123.78865	0.3
124.08144	0.4
127.03936	0.8
129.05476	3.6
134.67636	0.4
137.02380	0.5
145.04950	0.8
147.06499	1.0
153.01785	3.2
165.01825	1.4
183.02951	0.9
213.05470	0.9
231.06514	0.6
238.77403	0.4
241.04945	0.6
258.05225	0.9
287.05505	100.0
288.05902	1.5
353.43173	0.4
443.56213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
50.02370	1.8
61.02914	1.7
61.54920	1.8
61.86494	1.6
70.82608	2.2
70.82918	2.9
85.02904	5.3
92.89546	1.7
103.03907	2.7
109.02913	2.9
119.04940	7.3
121.02877	27.5
145.02837	4.3
175.03894	2.0
177.01880	6.1
179.03265	3.2
189.01825	9.4
191.03407	6.3
203.03392	11.0
203.04942	2.0
207.02875	6.4
215.03310	2.1
217.04932	2.5
219.02934	3.5
227.03392	2.0
229.04941	3.5
239.03383	2.4
255.02898	2.1
257.04370	2.8
273.03928	2.3
279.06531	3.8
281.08011	4.3
283.05991	9.2
293.08051	3.6
294.05222	14.9
295.06027	66.6
295.09412	4.8
296.06711	7.1
297.07614	7.0
307.06030	45.5
308.06714	13.6
309.07593	11.1
313.06998	4.9
318.08459	1.9
319.05936	7.4
321.07541	22.7
322.04987	2.2
322.08365	8.2
323.05505	3.6
323.09189	6.6
325.07092	79.1
325.11014	3.9
333.07520	8.7
335.09122	16.1
337.03229	3.9
337.07071	56.2
337.11108	3.0
345.07733	4.3
347.09174	9.3
349.07101	26.2
351.08643	19.6
355.08173	18.5
361.07010	15.6
363.08798	4.5
365.10266	7.4
367.08093	6.2
373.07129	5.2
375.08582	8.5
379.08127	52.4
385.07196	2.9
387.08066	3.6
391.08102	27.9
401.10175	3.7
403.08099	19.9
409.09222	46.6
415.08231	3.8
421.09143	25.0
427.10272	43.6
427.25696	1.9
433.09384	2.1
439.10223	31.1
445.10086	6.1
457.11349	100.0
463.10168	5.9
464.47977	2.0
475.12256	18.0
481.11282	26.7
487.09982	2.3
493.11475	5.9
499.12201	17.7
505.11411	7.8
511.12338	25.3
523.12555	23.8
529.13501	10.1
541.13373	28.0
559.14453	28.4
577.15216	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	595.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.3
56.04618	0.3
57.03447	2.1
61.02917	0.6
69.03448	1.6
69.91305	0.8
69.91691	0.7
71.01340	0.3
71.04999	10.3
73.02898	0.6
75.04461	0.4
81.03413	0.4
83.04981	0.8
85.02912	13.9
97.02895	1.2
98.20842	0.5
105.03397	0.3
109.02886	0.7
111.00811	0.7
111.04488	0.4
121.02885	2.3
127.03915	0.6
129.05493	3.4
133.02855	0.7
137.02310	0.6
143.36945	0.3
145.04950	0.7
147.04483	0.4
147.06538	0.9
153.01816	3.0
157.06464	0.4
165.01849	1.2
178.75439	0.3
183.02902	0.7
213.05521	1.2
231.06535	0.9
241.04964	0.9
258.05365	1.2
259.06262	0.5
287.05521	100.0
288.05820	1.1
313.07071	1.0
329.06506	0.6
335.82495	0.3
337.07260	0.3
415.10233	0.4
433.11279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	Datiscin
Peak:m/z	Relative Intensity
51.03502	0.9
51.63269	0.7
53.03941	3.8
55.01865	2.8
55.05503	1.3
57.03440	5.3
61.02917	1.7
69.03433	17.8
70.06573	2.3
70.60413	2.9
71.04996	21.5
72.05373	1.0
73.02907	3.3
75.04475	1.9
79.05505	1.2
81.03419	27.5
81.07053	1.5
83.01356	1.8
83.04984	3.7
85.02909	64.3
86.09702	1.7
87.04468	1.5
91.03982	1.1
91.05470	2.1
93.07053	1.2
95.04990	1.2
95.08604	1.6
97.02890	23.8
99.04459	10.8
103.03957	1.3
105.03460	1.1
105.07017	1.8
107.04948	2.1
107.08617	1.1
109.02888	37.7
111.04440	2.2
119.04949	2.3
121.02850	4.3
121.10091	1.1
123.25326	0.8
127.03922	46.7
129.05490	5.7
133.10101	0.9
141.05530	1.0
145.04973	9.6
145.06116	1.2
147.04433	9.3
147.06523	1.8
153.01837	3.0
163.03920	0.9
165.01855	1.7
165.12714	1.6
167.07086	1.3
169.04904	5.0
173.04538	1.8
175.14842	1.0
181.04950	2.4
183.13849	1.2
184.14207	1.3
185.05931	1.2
187.06023	25.5
198.06564	1.0
215.05569	1.3
217.15791	1.1
229.07057	9.9
235.17102	2.2
247.08105	2.6
253.07251	1.0
258.05225	1.4
287.05505	100.0
288.05817	2.1
295.05841	1.2
299.05582	1.9
303.04987	3.3
329.06586	2.0
397.09000	1.4
403.13516	1.5
413.08411	1.5
416.14630	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.1
55.05504	8.0
56.80251	2.0
57.03434	8.4
65.03922	2.5
67.05509	34.7
69.07063	7.9
71.04994	2.6
71.51147	3.7
79.05502	16.3
81.03430	10.2
81.07058	25.8
83.08615	4.0
85.02905	4.6
91.05460	9.6
93.07040	19.7
95.04958	2.1
95.08624	23.3
97.10163	2.5
98.98468	23.0
99.04525	2.4
105.07033	6.8
107.08592	11.0
109.02865	9.6
109.10185	8.9
119.08566	5.3
121.10169	7.8
123.11732	2.2
127.03930	2.9
131.08589	4.3
133.10097	5.7
135.11696	7.5
137.13310	2.3
145.10234	2.4
149.13252	2.4
159.11604	2.0
161.13251	2.5
243.18408	2.0
243.20914	2.2
261.03729	8.2
261.22040	3.6
281.32574	2.5
284.36554	2.0
287.05466	9.1
335.07361	3.2
335.25818	100.0
336.25897	2.1
595.38037	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	596.21
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
58.05261	0.3
61.02924	0.7
63.69509	0.4
66.84040	0.3
69.03444	2.8
69.26862	2.3
69.27274	0.7
70.06578	0.7
71.04971	0.6
73.02925	0.5
81.03413	0.8
81.07053	0.3
85.02907	10.5
86.09718	0.5
91.05479	0.5
97.02884	3.0
97.06526	0.3
99.04446	0.8
107.04929	1.4
109.02879	0.7
109.06535	0.3
111.65752	0.3
119.04905	0.6
124.77765	0.3
127.03915	2.2
145.04948	2.5
147.04410	2.4
148.04732	1.0
156.93297	0.3
160.02359	0.3
161.05966	0.4
163.06004	0.6
167.07060	1.0
167.08473	0.3
168.05727	0.7
181.04999	0.8
183.08054	3.1
187.07545	0.4
195.08072	0.6
196.05148	0.7
197.05968	1.2
201.09177	0.4
211.07538	9.1
214.06329	0.4
218.07094	0.4
223.07510	0.6
225.09259	0.3
229.08588	4.4
239.07025	19.3
240.07582	0.6
253.08685	0.4
255.09842	0.4
257.08093	13.4
271.09659	1.2
272.10437	100.0
273.10657	1.6
287.05582	1.6
288.05844	1.2
294.64371	0.3
339.12286	0.4
366.54947	0.3
434.16006	0.5
575.14734	0.3
586.66577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.1
56.55049	3.5
56.55341	3.0
57.03445	9.5
65.03955	4.4
66.86115	3.3
67.05511	11.1
69.03427	20.9
69.07072	8.3
69.38245	10.5
69.38656	14.8
70.06599	31.9
71.04996	58.4
72.08157	10.8
73.02911	5.4
79.05490	20.6
81.03426	25.6
81.07057	31.1
83.04995	13.5
83.08631	6.7
84.04496	3.9
84.08136	14.0
85.02435	6.1
85.02916	77.0
85.06546	5.3
86.03226	6.4
86.09693	18.3
91.05486	22.5
93.07065	25.6
95.04991	9.4
95.08635	21.3
97.02901	22.1
97.06520	8.5
97.10181	3.4
98.03246	4.5
99.04476	8.6
105.07050	54.9
107.04964	6.1
107.08603	35.3
109.02892	26.8
109.10160	14.7
110.03232	5.4
110.07201	8.3
110.61072	3.7
111.04491	4.6
117.07011	4.9
119.04914	7.4
119.08574	26.4
120.08119	7.5
121.02909	4.0
121.06487	4.2
121.10138	27.4
123.07989	3.4
123.11725	7.0
125.06026	6.8
125.09649	35.1
125.91683	3.4
127.03908	44.4
127.07579	4.5
127.11201	6.7
128.04243	8.1
129.05513	6.9
129.10248	5.7
131.08566	10.6
133.10141	95.8
133.11099	7.7
135.11664	5.5
137.06007	5.7
139.03914	3.8
143.07083	5.8
143.10681	87.0
145.04984	11.2
145.10146	13.2
147.04440	24.6
147.06633	3.9
147.11700	18.9
148.04750	8.1
149.13278	17.1
151.11185	11.6
159.11703	16.1
161.06065	6.2
161.13339	6.8
163.06046	4.9
167.07069	6.7
167.10805	3.9
167.14330	37.8
169.05049	5.0
169.12175	5.9
173.13298	3.7
181.04910	6.8
182.05232	4.6
187.06024	15.1
188.06416	6.7
191.17796	4.4
201.16431	17.4
219.17459	100.0
237.18462	23.2
253.07544	4.6
287.05502	63.0
288.05856	72.8
288.09128	3.0
596.21466	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	597.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
53.03945	1.1
55.01879	0.4
57.03434	0.5
64.43901	0.3
68.99795	0.6
69.03436	3.6
69.55543	1.9
70.06604	0.4
71.05004	0.5
77.03957	0.3
78.17628	0.3
79.05498	0.5
81.03424	4.5
85.02905	3.7
86.09734	0.6
91.05514	0.8
93.07041	0.5
95.04990	0.4
95.08602	0.4
97.02896	4.2
98.20788	0.7
99.04458	1.6
103.05483	0.4
105.03355	0.4
105.07032	0.4
107.04962	62.3
109.02882	3.3
109.06546	0.6
109.47015	0.3
111.00778	0.7
115.05453	0.3
121.02864	2.5
121.06519	2.6
127.03922	5.5
132.42818	0.3
133.02869	0.5
135.04370	0.3
137.02324	1.1
137.05975	0.5
145.04980	2.3
145.06528	0.4
147.04419	0.9
149.05983	5.0
153.01840	3.7
153.05444	0.4
156.88634	0.3
157.06461	0.5
161.05966	0.6
163.03889	0.4
165.01839	2.0
167.07056	2.3
173.05951	0.4
175.07594	0.3
181.04973	0.3
183.02899	0.8
185.06020	0.6
187.06020	1.3
187.07512	0.4
191.07022	1.0
203.07100	0.5
205.65648	0.3
213.05479	1.2
215.74243	0.3
231.06383	0.6
241.05061	0.8
258.05267	1.1
266.68350	0.3
271.16959	0.3
285.73410	0.3
287.05515	100.0
288.05859	1.4
293.10245	4.4
329.06549	0.6
339.12350	0.5
461.48544	0.3
488.25098	0.3
544.65369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.8
53.03946	8.8
55.01877	2.3
57.03421	1.5
58.08406	0.8
65.03944	1.4
69.03433	14.0
69.69430	1.0
69.75986	5.6
71.01360	1.4
71.04989	5.1
73.02916	1.9
81.03420	48.4
85.02901	17.3
91.05479	98.8
97.02899	12.9
99.04457	14.9
102.92659	1.0
103.05470	1.1
105.03389	1.1
105.07039	2.5
107.04948	1.3
109.02877	42.2
115.05448	8.2
117.06990	5.5
119.04948	2.2
127.03916	100.0
133.06500	4.4
137.05945	1.0
139.03902	2.1
143.04915	6.4
145.04965	9.1
145.06459	3.3
151.97153	0.9
159.69072	1.1
161.05977	39.2
169.04950	9.5
171.04408	19.2
179.07040	10.7
180.99869	0.9
187.06059	9.9
189.05423	3.1
195.02100	0.9
205.05017	1.1
205.07133	1.0
221.08087	5.0
222.89752	1.1
229.07092	11.0
231.06580	1.6
233.08095	1.6
247.08226	1.5
249.07538	1.8
269.07999	1.4
271.08112	1.4
287.09131	2.4
305.10321	4.5
315.08667	1.3
333.09735	1.5
347.11206	2.1
375.10757	1.7
393.11844	1.1
458.78009	1.1
463.51395	1.1
537.15857	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01869	1.8
56.74324	0.8
57.03427	2.2
60.89738	0.8
61.02932	1.1
65.03945	1.2
69.03432	18.1
70.04761	2.5
70.05158	1.4
71.01353	0.9
71.04990	3.3
77.69299	0.9
81.03420	45.1
83.01333	1.1
85.02438	1.3
85.02915	16.9
89.88267	0.8
91.05487	79.7
97.02905	11.8
99.04463	10.5
101.02420	1.3
103.03955	1.0
105.03400	0.9
105.07049	1.7
107.04932	1.7
109.02885	35.8
115.05444	5.5
117.07014	5.8
119.04950	1.4
123.04427	1.5
127.03925	100.0
133.06490	3.3
136.83786	0.9
139.03899	1.5
141.05441	0.9
143.04933	5.3
145.04955	6.3
145.06424	2.4
149.90750	0.9
151.03909	1.1
155.06044	1.4
161.05995	31.9
163.03912	0.9
169.04973	10.2
171.04417	16.9
175.03911	1.1
179.07051	14.0
187.06020	10.5
189.05511	3.4
193.04915	1.4
205.07114	0.9
215.05396	0.9
219.49811	0.9
221.08084	5.3
229.07079	11.0
231.06580	2.7
235.06123	1.2
247.08078	2.1
249.07600	3.2
253.06996	1.0
269.08218	2.1
271.08035	1.0
287.09195	1.8
305.10342	2.5
315.08405	2.5
333.09802	2.1
347.11349	1.9
375.10846	1.9
387.70743	0.8
393.11871	3.0
537.16083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.8
55.01872	2.6
55.94611	0.7
57.03424	2.9
59.44843	0.7
61.02928	1.1
61.37584	0.8
65.03937	1.5
65.35909	0.6
69.03436	20.1
71.01351	1.1
71.04987	5.4
71.20899	1.6
73.27886	0.7
77.83537	0.7
81.03426	48.0
83.01371	0.9
83.22007	0.7
85.02910	18.3
86.35329	0.6
89.80715	0.7
91.05490	78.2
95.04952	1.2
97.02907	16.1
99.04463	14.7
103.03987	1.0
105.07038	2.0
109.02892	36.8
111.04460	1.2
115.05457	5.1
117.07038	6.1
119.04964	1.3
127.03929	100.0
133.06499	4.2
139.03905	1.1
143.04947	5.5
145.04948	7.0
145.06514	2.5
153.05486	0.9
161.04640	1.6
161.05995	32.3
163.03882	1.0
167.07150	0.8
168.66951	0.8
169.04984	10.2
169.06392	1.2
171.04433	19.1
175.03932	1.3
177.95302	0.7
179.07054	15.4
179.08571	1.1
187.06026	10.9
189.05524	3.3
193.05104	0.8
205.07030	0.7
221.08167	4.9
229.07100	11.0
231.06575	1.8
233.08315	0.8
247.08243	1.2
249.07570	3.3
253.06999	1.3
269.08051	1.0
271.08212	1.4
287.09216	1.3
305.10287	2.2
315.08725	1.6
347.11374	2.8
375.10828	2.1
393.11917	2.3
443.67160	0.8
537.15997	2.0
604.71936	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
55.01865	2.1
57.03431	2.3
69.03425	13.8
69.91322	2.8
69.91712	1.8
71.04982	3.0
75.67560	0.9
81.02928	1.6
81.03421	48.6
85.02905	17.5
91.05483	94.3
97.02362	1.3
97.02892	11.5
98.20875	1.9
99.04451	11.3
105.07031	1.5
109.02883	36.3
112.08573	1.1
115.03886	1.0
115.05457	6.2
117.07029	6.6
119.04926	2.6
127.03923	100.0
133.06468	5.2
143.04945	5.0
145.04996	8.4
145.06468	4.0
161.05991	43.6
169.04948	10.3
171.04414	16.1
179.07050	12.0
187.06020	10.2
189.05446	3.0
221.08067	4.2
229.07050	9.9
231.06496	2.8
233.08130	3.0
235.05724	1.1
240.59753	0.9
247.08119	2.2
249.07639	2.0
271.08203	1.6
287.09149	2.3
305.10202	5.2
321.83588	1.0
333.09769	1.9
347.11261	2.7
393.11942	2.4
537.15546	1.6
623.52344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1819
Annotation	Naringenin 5,7-di-O-glucoside
Peak:m/z	Relative Intensity
51.44876	1.8
53.03942	3.3
55.01866	4.6
57.03442	10.8
63.87647	1.7
67.05506	2.0
68.99797	2.2
69.03419	7.7
70.06588	6.4
71.01373	1.8
71.04996	28.3
71.35406	2.9
73.02913	3.6
79.05488	2.6
79.18537	1.9
81.03409	5.6
83.04967	6.3
84.08158	2.5
85.02904	82.4
86.09704	3.2
91.05492	3.7
93.07024	2.4
95.04969	8.0
95.08589	2.8
97.02914	9.8
99.04447	2.4
99.24324	1.7
99.54688	1.8
105.07026	3.7
107.04970	8.3
107.08617	2.2
109.02866	6.2
109.06484	4.0
111.00847	1.9
111.04454	8.8
119.04932	5.4
119.08572	5.3
121.02850	8.8
121.06506	5.2
121.10159	4.8
123.04420	6.1
125.02339	3.1
125.06004	3.8
127.03910	5.1
129.05492	9.5
131.08603	4.0
133.10144	3.6
135.04385	4.4
137.05934	3.5
143.08548	3.0
145.10138	4.3
147.04425	16.6
147.06546	1.9
149.02386	2.9
149.05905	3.3
151.03932	3.6
153.01836	6.2
157.10120	7.4
163.03886	14.4
165.01846	29.0
169.10107	6.7
171.02975	2.2
171.11665	3.3
173.09641	2.6
173.13278	5.1
177.01875	13.5
181.10126	3.3
183.02893	7.8
185.09666	3.8
187.11140	4.0
189.01799	4.1
191.03424	22.0
195.02896	100.0
197.09653	2.8
203.03549	2.7
207.02921	3.0
211.14851	3.3
215.03323	2.1
219.02910	31.9
225.16267	2.0
231.02919	23.2
233.04384	1.8
241.15822	15.4
243.02936	8.5
249.03922	4.8
253.15877	7.6
261.03943	16.4
271.16913	28.2
273.07629	6.3
279.04990	3.7
285.07587	29.1
289.17981	7.3
297.07700	16.9
303.04953	5.2
315.08618	31.4
317.90753	2.2
326.07550	1.7
331.07385	2.0
339.08722	33.4
351.08694	13.0
363.08331	6.2
369.09637	6.0
381.09653	15.9
383.63635	2.1
399.10651	15.9
411.10831	2.0
417.11688	9.3
417.22668	2.2
434.03464	2.1
435.11847	2.4
437.47650	2.0
451.11212	3.3
597.28735	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	597.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91457	1.0
53.03936	3.5
55.01863	3.3
55.05510	2.9
57.03436	11.1
59.04987	2.2
61.02922	2.8
67.05492	3.6
69.03430	8.7
69.07072	1.8
69.62592	7.7
70.06586	5.9
71.01346	1.6
71.04996	60.4
72.08119	1.3
73.02898	4.9
75.04471	5.1
79.05485	4.2
81.03430	8.0
81.07058	2.9
83.04976	8.9
84.08134	1.7
84.88158	1.2
85.02908	100.0
85.06518	3.0
86.09708	2.5
87.04466	3.5
89.03908	1.6
91.05467	5.6
93.07040	5.0
95.04970	16.1
95.08604	2.9
96.13978	1.1
97.02898	11.3
97.06519	1.6
98.21543	1.4
99.04456	3.2
103.03945	1.5
105.07027	5.8
107.04972	14.0
107.08570	4.8
109.02865	2.4
109.06504	4.9
109.10162	2.4
110.07146	1.3
111.04453	8.8
117.03368	4.3
117.07030	1.9
119.04942	1.4
119.08574	7.3
121.02880	1.5
121.06484	4.2
121.10162	4.0
123.04433	10.2
125.05964	5.6
127.03911	5.4
129.05492	22.9
129.06972	2.8
131.04927	1.8
131.08569	3.9
133.10106	4.4
135.04434	5.6
135.08051	3.0
137.05945	2.1
137.09625	1.4
139.03877	2.6
139.07524	2.6
141.06943	1.7
142.07793	2.1
143.08592	2.8
145.02832	4.1
145.04939	3.4
145.06480	2.9
145.10104	6.6
147.04401	4.0
147.06512	3.9
147.11676	2.7
149.05981	1.3
149.09665	1.4
151.07498	1.9
155.08560	2.0
156.09338	2.5
157.10135	12.0
158.10892	1.8
159.08083	2.7
159.11700	2.9
163.03926	31.5
165.01880	2.4
165.05510	2.6
165.06934	2.3
167.07173	1.7
167.08565	1.6
168.09369	1.8
169.10130	8.1
171.08112	1.3
171.11673	3.6
173.09607	3.4
173.13309	8.7
181.05009	2.2
181.10126	6.7
183.11676	4.9
185.09601	9.2
185.13272	2.2
187.11205	5.7
187.14867	2.3
191.03416	2.3
191.07068	1.5
193.10092	3.1
195.02936	8.4
195.11639	2.2
196.12468	1.8
197.09628	7.4
197.13257	3.2
199.11200	2.7
211.11188	3.8
211.14839	3.8
213.12769	2.7
213.16408	4.5
215.10629	4.6
219.02904	2.6
223.11226	1.9
223.14851	4.1
225.12711	2.3
225.16322	4.3
229.15813	1.4
231.02951	1.5
235.14859	1.8
240.15089	4.4
241.15901	28.5
253.15894	12.4
257.08096	3.4
261.03711	1.4
271.16934	46.5
272.17157	1.3
273.07556	1.4
283.06094	1.6
285.07440	1.9
289.06912	1.2
289.18002	10.3
297.07581	1.4
301.06732	1.4
303.04953	8.4
307.08234	1.5
315.08429	2.0
325.09583	1.2
339.08401	3.4
381.09695	1.3
401.73825	1.4
417.10858	1.2
417.22836	2.7
579.28400	1.4
597.29187	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	597.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01867	3.5
55.05500	4.6
57.03436	13.2
61.02922	1.2
67.05499	4.0
69.03439	9.4
69.07059	4.8
69.24769	7.0
69.25194	3.6
70.06594	6.4
71.01339	1.9
71.04998	57.8
72.08148	1.9
73.02907	4.8
75.04470	4.3
79.05482	4.8
81.03414	8.7
81.07051	2.5
82.02724	1.0
83.04987	11.2
84.08122	1.6
84.46432	1.1
85.02911	100.0
85.06525	2.8
86.03250	1.2
86.09696	1.8
87.04446	3.1
89.03933	1.9
91.05484	6.6
91.56675	1.1
93.07042	4.8
95.04975	17.5
95.08607	1.7
97.02893	12.4
97.06514	1.4
98.20673	2.2
99.04472	5.6
103.03922	1.4
103.05469	2.2
105.07040	6.5
107.04964	16.7
107.08600	2.8
109.02867	4.4
109.06517	7.0
109.10182	2.8
110.07162	2.0
111.04453	11.2
116.64577	1.2
117.03396	3.6
117.06989	1.5
119.04918	2.2
119.08585	9.0
121.02883	2.8
121.06506	5.4
121.10135	5.0
123.04448	15.5
123.08056	1.4
125.05959	6.1
127.03929	6.2
129.04538	1.2
129.05489	23.2
129.06952	1.7
129.10237	1.3
131.08559	5.2
133.06480	2.3
133.10123	4.5
135.04431	6.8
135.08043	3.3
137.05951	3.6
137.09656	1.8
139.03915	2.2
139.07521	2.4
141.07005	1.7
142.07799	2.4
143.08565	3.9
144.09315	1.6
144.10931	1.1
145.02888	2.6
145.04948	2.4
145.06465	2.3
145.10081	5.6
147.04411	5.0
147.06522	7.0
147.08025	3.2
147.11681	2.6
147.13326	1.1
149.06004	2.4
149.09622	1.3
151.03896	1.9
151.07558	2.1
151.11139	2.0
153.06961	1.2
155.08528	2.5
156.09377	2.7
157.10129	14.4
158.10928	2.1
159.08076	2.4
159.11673	5.4
161.09688	1.9
163.03905	28.6
163.06001	2.0
165.01805	2.8
165.05487	2.9
167.07114	2.0
167.08467	2.8
168.09262	1.3
169.10144	8.3
170.10852	1.3
171.08075	2.8
171.11691	4.3
173.09683	5.4
173.13280	9.3
177.01869	1.4
178.57800	1.3
179.08484	1.5
181.04999	1.8
181.10191	5.6
183.08067	1.3
183.11659	6.9
185.09615	8.5
185.13243	3.3
187.07541	1.6
187.11156	6.1
187.14906	1.4
193.04997	1.4
193.10118	2.5
195.02844	8.9
195.11664	4.0
196.12532	1.5
197.09605	4.6
197.13287	3.6
199.11174	2.5
199.73943	1.3
208.12383	2.0
210.13957	1.4
211.11183	2.5
211.14763	4.0
213.12733	3.6
213.16302	3.1
215.10620	6.0
219.02898	2.0
223.11299	1.4
223.14804	4.5
225.12759	3.2
225.16437	3.8
231.02904	2.7
235.14792	1.9
238.13570	1.4
240.15062	7.1
241.15898	33.3
253.15891	16.3
255.06270	1.3
257.08087	2.6
271.16940	49.1
272.17471	1.3
273.07407	1.9
285.07632	2.5
287.05527	2.3
289.06552	1.5
289.17911	9.9
297.06952	1.4
301.06815	1.3
303.04999	9.2
315.08490	3.8
339.08377	1.4
351.08609	1.4
381.09497	1.5
399.10361	1.8
399.21603	2.1
417.11826	1.4
417.22797	1.4
433.21921	1.7
447.12552	2.6
543.14313	1.4
568.37317	1.2
579.28644	1.7
597.28949	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	597.3035
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03941	1.8
55.05511	12.6
57.03445	7.2
57.07075	1.8
67.05512	27.2
69.07072	14.4
71.31584	2.9
77.66558	1.7
79.05498	8.5
81.03441	9.6
81.07050	29.9
83.04984	1.4
83.08623	7.9
85.02900	2.9
85.06530	1.7
91.05473	7.8
93.07042	10.3
95.08611	19.6
97.06552	2.2
97.10192	3.9
98.98470	25.8
99.04428	2.4
100.96741	1.5
105.07012	3.3
107.08601	5.0
109.02898	9.7
109.10180	7.5
119.08578	6.1
121.10118	3.0
123.08076	2.7
123.11682	4.3
127.03919	3.5
133.10130	5.7
135.11763	1.9
138.89671	1.6
155.01033	3.0
163.05978	3.1
175.14851	2.1
194.56702	1.9
261.03720	6.3
263.23761	4.0
269.16998	1.5
301.20218	7.2
335.07166	2.7
337.27390	100.0
537.28894	2.3
597.39258	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	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.05505	1.5
57.03446	8.7
57.34155	1.2
69.03430	4.5
69.90986	3.7
69.91376	2.4
71.04999	46.0
73.02934	1.6
75.04469	3.3
81.03406	1.8
83.04971	5.6
85.02907	65.1
87.04456	1.4
93.33483	1.3
93.46194	1.2
97.02884	2.4
99.04451	2.5
127.03877	2.3
129.05492	18.2
145.04956	1.7
147.06512	9.7
161.05994	3.4
164.09193	3.1
169.61768	1.1
181.06422	1.7
195.08110	3.4
195.18202	1.3
211.07549	1.4
212.08318	4.1
213.09203	1.9
223.07524	2.4
224.08366	2.7
227.07097	1.6
227.10689	6.6
240.07799	2.7
241.08607	5.1
242.09383	13.5
253.08934	1.6
255.10197	19.9
258.08752	3.3
266.09424	1.5
271.09705	1.8
272.10211	1.4
273.11234	100.0
274.11685	1.7
284.10358	3.1
295.09418	1.4
297.11282	2.9
309.11041	1.5
315.12192	5.6
339.12195	4.3
365.13770	3.8
383.14725	2.6
563.80121	1.3
602.38556	1.3
610.94824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10096	1.4
53.03959	2.9
55.01861	1.9
55.05500	2.0
56.37657	1.2
57.02570	1.2
57.03423	2.4
59.05011	1.3
61.02928	2.3
62.44053	1.2
64.96885	1.2
69.03429	6.1
69.07056	1.7
69.90626	7.1
71.04999	8.6
73.06528	1.9
79.05496	4.8
81.03424	18.3
81.07057	10.6
85.02911	13.2
87.00838	2.0
91.05470	3.3
93.07042	6.3
94.02048	1.3
95.04956	2.7
97.02890	7.7
98.21458	1.6
99.04485	2.4
103.05435	3.5
105.01879	1.8
105.07037	2.0
106.04207	1.4
107.04960	9.5
107.08598	7.4
109.02896	8.5
109.78196	1.1
115.05483	7.0
117.07030	14.9
123.04426	4.5
127.03909	9.2
129.06998	1.9
130.04143	2.5
131.04881	2.0
131.08585	3.9
133.06458	1.2
135.11674	12.2
141.01852	1.5
141.06953	2.8
144.05696	3.3
145.04958	5.9
145.06471	33.2
152.04735	1.7
152.55048	1.4
153.12753	59.5
155.06004	5.8
156.05684	7.1
157.06473	2.1
159.02847	1.4
159.08031	5.0
161.05984	5.0
167.07048	49.9
173.05989	60.7
175.07623	1.3
180.08650	4.2
181.05000	1.6
181.08734	1.7
181.13338	1.3
183.06500	1.3
184.05206	1.7
187.07550	6.3
190.06256	34.3
191.06999	2.4
193.08516	1.9
202.06241	4.2
203.06998	5.8
203.69971	1.4
205.08606	100.0
207.06487	2.0
215.07086	1.3
217.06551	2.6
217.08609	41.7
219.08150	1.7
219.10167	5.3
223.09656	3.6
231.04909	2.6
235.09659	28.0
247.07545	1.5
247.09726	9.6
248.08241	1.6
263.10367	1.6
265.08289	1.1
265.10745	24.8
274.10233	1.2
276.07709	1.9
287.05246	1.4
307.09818	1.6
315.08545	4.8
323.12604	2.8
330.11005	7.0
331.11768	2.0
339.12296	1.8
351.12219	3.0
357.08063	2.4
371.14801	2.7
375.09277	3.7
383.14908	11.0
401.15759	10.4
473.21057	1.6
518.43176	1.5
612.25879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01862	1.4
55.05499	1.8
57.03428	1.1
59.04989	1.8
60.34177	0.6
63.23243	0.6
67.05483	1.7
68.99782	1.1
69.03423	5.8
69.07058	1.9
70.06573	1.2
71.04993	12.5
73.02922	1.1
73.06555	4.0
76.57372	0.5
79.05484	4.2
81.03419	5.7
81.06598	1.0
81.07057	18.3
83.04964	0.6
85.02904	8.9
86.35151	0.6
87.00850	3.7
88.76884	0.6
91.05481	1.6
93.07048	11.2
95.08613	3.0
97.02898	6.9
97.06536	1.4
98.20733	1.5
99.04469	2.2
105.01864	4.2
105.06995	0.9
107.08595	9.4
109.02879	9.7
109.10141	2.1
111.04407	1.0
111.08035	0.5
125.02263	0.6
127.03917	14.2
129.01830	0.9
135.11696	21.7
136.07619	0.7
139.03894	0.6
141.01865	1.3
145.04942	4.6
147.02879	0.9
153.12749	100.0
159.02882	1.8
167.07039	1.0
173.06027	1.2
190.06277	0.7
191.48701	0.7
205.08633	1.8
213.03947	1.7
217.08536	1.0
231.04977	3.4
249.06088	1.8
249.30946	0.6
301.18875	0.7
339.07101	1.7
356.74194	0.7
357.08160	4.0
375.09213	8.4
393.10117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14851	0.6
55.05518	3.0
57.07078	34.3
58.06604	0.7
59.05001	0.7
66.59646	0.6
67.05508	3.0
69.07066	5.3
70.63820	1.6
71.08633	30.6
73.06557	6.8
79.05479	1.4
81.07046	2.2
83.08628	6.4
83.97797	0.6
85.00845	0.6
85.10185	20.3
87.04474	7.0
89.06033	100.0
91.05476	1.4
91.07588	0.7
92.00113	0.6
93.07055	0.9
95.08606	2.2
97.10159	6.1
99.11750	3.0
107.07082	1.0
107.08602	1.3
109.10175	0.9
111.11733	4.0
113.13333	0.8
117.09147	6.3
121.10079	0.7
125.13300	1.4
127.14845	1.4
130.08655	2.1
131.07053	1.8
131.08582	0.7
133.08607	55.9
141.16425	1.3
161.11798	0.9
177.11230	19.6
195.12354	0.7
211.24257	2.5
221.13890	4.3
239.14954	1.2
243.64137	0.7
255.26872	1.1
258.41733	0.6
265.16492	1.6
283.17447	2.1
299.29413	6.3
327.19974	1.0
343.32086	3.9
371.22757	5.5
402.54877	0.6
493.40982	0.8
500.35913	1.5
505.37967	0.8
521.59454	0.7
537.43665	1.2
563.41858	0.7
581.46100	5.7
598.48578	2.1
598.62842	1.1
601.74402	0.6
629.46808	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29242	0.4
53.03937	1.1
68.99802	0.4
69.03425	1.2
69.62610	2.3
73.02941	0.5
77.03918	0.5
77.81657	0.4
78.29103	0.3
79.05482	1.4
81.03424	0.9
81.31756	0.3
85.02897	1.7
91.05483	0.7
95.04951	1.5
95.08619	0.4
97.02898	0.6
103.03946	0.8
103.05463	0.8
105.03371	0.8
107.04964	14.3
107.08586	0.4
109.02860	0.6
111.04447	0.8
121.02876	0.5
121.06506	0.6
123.04436	0.9
127.03963	0.8
131.04846	0.6
133.02856	5.7
135.04416	6.1
137.06004	0.9
139.03909	8.9
145.06479	0.5
147.04356	0.7
149.02356	8.2
149.05975	2.1
151.03935	1.4
161.05960	0.8
163.03912	100.0
164.04230	1.3
166.31332	0.3
173.05930	0.5
177.05525	1.1
179.03459	0.5
181.04971	5.3
191.03430	2.7
201.05489	1.0
205.04967	4.2
229.05034	1.0
247.06055	3.7
257.08109	3.9
265.07068	0.7
275.09158	0.7
299.09213	0.6
317.10315	0.4
360.84897	0.4
365.10147	1.0
403.61548	0.4
445.11450	1.0
463.12521	0.6
599.19427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01873	1.4
56.65113	0.5
57.03429	0.8
69.31794	4.1
79.05487	1.7
81.03420	1.5
85.02905	1.8
86.93919	0.5
95.04950	0.9
97.02898	0.7
102.20698	0.5
107.04963	100.0
108.05272	0.6
109.02902	0.6
116.59807	0.6
121.02842	1.5
123.04426	0.7
131.04929	1.9
135.04404	0.7
139.03947	0.7
145.06483	0.9
147.04390	1.4
149.06018	1.2
151.03934	1.9
159.04457	1.1
161.05904	0.7
163.03914	2.1
173.06075	0.9
175.03920	2.3
176.51936	0.5
177.05493	1.1
181.04955	1.3
185.06064	0.7
187.03908	2.1
189.05571	0.7
191.03397	0.7
193.05000	1.8
199.03960	0.8
201.05531	1.5
205.05026	5.2
213.05460	2.0
215.03439	0.6
217.04974	5.5
219.03070	0.9
219.06531	1.8
221.04478	1.3
223.06065	2.3
225.05447	0.9
229.05052	1.7
231.06560	2.0
235.06003	3.2
235.40366	0.5
241.05042	1.7
243.06487	1.4
247.06017	4.1
253.04955	1.1
255.06621	1.2
257.04367	0.5
259.06036	6.7
267.06741	0.9
271.05966	2.6
273.07620	1.2
277.07111	2.1
281.08154	0.8
283.06039	1.8
285.07495	0.6
289.07202	2.5
293.08096	0.6
295.05957	0.9
297.07648	0.8
299.09302	1.3
301.07028	4.0
309.07684	0.5
311.09113	1.5
313.07031	2.4
317.10150	1.1
323.09195	1.2
325.07144	1.9
327.08771	0.7
329.10110	3.2
335.09012	0.6
341.10114	3.2
343.08511	0.9
349.21756	0.6
353.10248	6.4
365.10248	3.3
377.10327	1.8
383.11307	7.3
389.10358	0.8
395.11334	7.4
399.35056	0.5
401.11859	0.5
407.11365	6.6
413.12317	2.6
419.11267	6.0
425.12488	3.5
429.11899	0.7
431.13501	8.5
443.13232	2.4
449.12378	6.1
461.12537	3.9
467.13327	3.4
473.12317	0.9
479.13513	3.4
485.14413	1.7
491.13470	1.5
497.14417	4.8
509.14511	2.2
527.15527	1.5
545.16406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.05514	24.5
57.03418	6.7
57.07049	7.0
63.01486	2.0
65.03937	4.5
66.31574	2.0
67.05507	76.1
69.07068	27.4
71.04996	4.1
71.08601	2.4
79.05068	3.3
79.05499	41.0
81.07060	85.5
83.04979	1.8
83.08628	16.1
85.06535	5.2
91.04996	2.3
91.05495	31.2
93.06500	3.3
93.07050	54.5
95.04973	2.9
95.08612	76.2
97.06519	4.0
97.10162	8.2
105.06403	3.0
105.07043	40.0
107.08604	45.8
109.06548	3.6
109.10158	37.3
111.11698	2.8
117.06352	1.6
117.07029	13.6
119.08591	39.0
121.10149	34.1
123.11712	15.9
128.06142	2.8
129.06992	7.1
131.08575	25.4
133.10143	31.5
135.11694	20.6
137.09575	1.8
137.13269	3.9
142.07744	2.2
143.08540	11.4
145.10139	26.9
147.11694	21.4
149.09628	2.5
149.13249	14.8
155.08536	2.6
157.10167	13.4
159.11697	22.6
161.13271	12.3
163.14783	8.1
169.10123	3.8
171.11688	10.3
173.13263	15.8
175.14835	7.6
177.16357	2.4
183.11717	6.4
185.13264	8.2
187.14838	6.9
189.16306	4.2
197.13304	3.3
199.14815	5.2
201.16379	6.0
203.17926	4.3
209.13298	3.1
211.14789	2.5
213.16449	4.7
215.17946	2.5
217.19556	2.2
225.16379	2.3
227.17967	5.2
229.19443	3.5
241.19679	2.8
245.19145	4.5
247.20515	2.9
259.20584	4.6
261.22116	5.1
287.23270	2.2
303.23276	2.6
321.24341	6.0
323.25916	4.8
333.24100	3.5
335.25925	7.2
337.27408	3.6
414.41199	2.2
473.27811	2.3
489.35391	2.8
507.41714	5.7
525.42883	4.0
581.45941	12.6
599.46783	100.0
600.46918	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	599.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.05518	18.6
57.03444	7.2
57.07079	4.6
65.03937	2.8
67.05509	55.4
69.06301	1.7
69.07069	22.2
69.83055	2.5
69.83444	4.4
71.08625	2.7
79.05499	29.5
81.07061	66.8
83.04950	2.1
83.08624	12.6
85.06532	1.7
91.05490	28.9
93.07044	45.8
95.04961	3.6
95.08615	56.1
97.06554	2.5
97.10162	4.3
105.04559	1.9
105.07037	32.7
107.08593	23.4
109.06525	2.1
109.10159	26.6
111.08087	2.6
111.11745	2.0
117.07001	8.3
119.07798	2.6
119.08592	30.9
121.10152	22.1
123.11705	10.6
129.07010	4.8
131.08563	23.2
133.08562	1.8
133.10139	26.1
135.11720	15.4
137.13255	3.9
139.11189	1.8
143.08545	9.2
145.10109	23.7
147.11674	17.0
149.13249	11.4
157.10118	8.7
159.11700	18.4
161.13289	9.4
163.11223	1.6
163.14853	4.8
169.10129	3.7
171.11737	8.4
173.13301	11.6
175.14865	5.2
177.16354	1.7
183.11827	1.7
185.13214	7.9
187.14847	7.6
189.16344	3.5
195.20746	1.8
197.13315	2.2
199.14883	4.2
201.16548	3.2
203.17892	2.1
211.14709	2.4
213.16376	3.8
215.17851	2.4
217.19669	1.9
227.18063	2.3
238.34596	1.5
241.19666	2.6
243.20992	1.7
245.19038	3.0
247.20601	6.4
259.20657	7.1
261.22202	7.0
273.22348	2.0
296.43643	1.6
299.23764	2.5
309.24277	2.6
313.06699	1.7
315.23227	1.6
319.22281	2.0
321.24301	11.9
323.25897	5.0
333.24216	3.7
335.25793	8.1
337.27399	4.6
341.28247	2.6
461.32480	2.1
468.22336	1.9
503.36447	2.7
507.41797	6.3
525.42828	3.7
529.39014	3.2
581.45764	12.0
599.46710	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69412	3.4
53.03936	6.8
55.01865	4.2
55.05503	12.2
57.07055	10.1
57.33405	3.4
58.34274	3.6
59.49800	3.2
60.85097	3.1
67.05516	21.7
69.03429	20.7
69.07066	14.1
69.45533	5.9
69.45866	26.6
71.04973	4.1
79.05495	33.8
81.07068	41.1
81.97282	3.6
83.04977	14.2
83.08638	5.3
85.06539	10.6
91.05486	54.8
93.07053	66.1
95.04980	18.5
95.08607	39.2
97.06523	6.6
103.05476	4.4
105.07040	90.8
107.08601	52.6
109.06519	17.3
109.10191	20.1
115.05434	5.4
117.07045	25.9
118.35362	4.1
119.08594	77.5
120.09330	4.0
121.06490	16.1
121.10144	44.5
122.07302	3.5
123.08086	29.4
123.11658	5.6
125.06000	5.5
125.09618	8.9
128.06218	15.1
129.07022	28.4
129.60286	3.7
130.07796	11.1
131.08583	54.0
133.06487	13.8
133.10127	41.8
135.08044	21.9
135.11684	11.9
135.50664	3.7
137.05988	4.3
137.09604	17.5
139.11143	3.9
141.06998	12.5
142.07784	30.9
143.08563	51.2
144.09328	14.1
145.06473	6.4
145.10141	56.6
147.08051	34.3
147.11688	14.8
149.09676	20.6
151.07576	18.8
151.11211	3.9
153.06950	4.8
154.07811	4.3
155.08542	21.3
156.09389	20.2
157.10138	67.3
158.07314	4.3
158.10921	7.1
159.08049	18.9
159.11713	33.5
160.08870	6.3
160.12381	3.8
161.09644	22.0
161.13245	8.8
163.11206	17.4
165.07016	5.6
165.09122	41.0
166.07768	4.2
167.08630	9.3
167.10632	16.3
168.09326	7.1
169.10106	28.9
170.10870	10.3
171.11696	45.9
172.08890	4.7
172.12372	5.3
173.09625	17.6
173.13277	19.3
175.11229	29.7
175.14763	5.5
177.09027	4.0
179.08524	11.8
179.10608	5.2
180.09361	8.0
181.10094	18.2
181.12244	9.7
182.10941	11.0
183.11703	25.8
184.12445	4.6
185.09544	8.3
185.13310	19.7
187.11234	11.0
187.14854	8.0
188.11955	4.8
189.12726	8.2
190.13528	15.9
191.14311	8.3
192.09233	4.9
193.10132	17.8
193.12216	12.6
194.10977	7.3
195.11728	24.8
195.13354	4.6
196.12401	8.2
197.13295	17.7
199.11098	7.5
199.14847	6.2
201.12738	7.0
203.14326	33.0
204.14905	3.5
205.10098	7.0
206.10771	3.4
207.11662	15.6
207.13818	16.0
208.12425	9.5
208.14586	9.9
209.13190	20.6
209.15138	6.4
210.13995	5.1
211.11259	6.7
211.14796	12.2
213.12799	8.6
215.14209	5.6
219.11737	6.7
219.13756	7.9
220.12405	5.8
221.13231	14.9
221.15331	100.0
222.15849	6.1
223.11060	3.7
223.14928	8.8
225.12746	7.7
225.16325	10.2
227.14297	4.2
231.11630	4.5
231.13722	6.6
233.13303	9.1
233.15359	23.4
234.16164	7.0
235.14803	10.7
237.14633	28.3
239.14383	7.7
247.16930	10.3
248.14120	15.0
249.16359	6.2
253.15903	6.3
255.17436	20.4
260.15207	4.0
261.16473	6.5
263.18106	6.3
267.17444	4.9
270.19733	5.1
271.17062	8.0
274.19336	8.9
275.17950	5.9
281.18988	8.3
285.18512	5.9
286.19260	11.3
287.20071	12.8
294.19894	10.4
295.20505	7.4
299.20148	18.5
303.19568	56.1
307.20468	4.3
312.20770	9.4
313.21573	16.6
325.21609	13.0
337.21594	11.1
347.23676	5.2
352.23978	85.0
353.24472	5.3
365.24683	23.6
487.31992	6.8
502.34512	17.0
503.35117	8.6
505.33038	8.7
507.34595	12.7
508.35086	11.2
520.35522	51.4
567.38513	4.6
582.40344	5.5
600.41602	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	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.9
55.05508	12.6
57.07084	14.0
58.18283	2.0
59.04996	4.3
67.05514	19.3
69.03423	10.3
69.07055	9.8
69.37746	17.9
71.04988	2.4
77.03961	2.4
79.05503	24.6
81.07059	32.7
83.04975	11.8
83.08604	7.9
85.06526	6.9
86.65074	2.0
89.06016	8.7
91.05489	35.5
92.06289	2.5
93.07050	47.4
95.04987	11.5
95.08615	29.6
97.06533	7.9
99.08032	2.5
103.05456	3.6
105.07041	68.8
106.07841	2.7
107.07886	2.9
107.08602	38.6
108.09432	2.8
109.06530	11.0
109.10176	13.1
117.07008	22.1
119.08588	71.8
120.09398	3.4
121.06491	9.1
121.10138	31.5
122.07304	4.4
123.08086	23.5
123.11736	3.3
124.08784	2.3
125.06001	8.7
128.06216	8.0
129.07021	13.1
130.07790	5.1
131.08578	37.1
133.06502	9.6
133.08609	5.2
133.10153	33.1
135.08052	20.1
135.11690	8.7
137.09607	14.7
139.07550	3.0
141.06984	6.2
142.07788	14.5
143.08578	32.1
144.09354	13.5
145.06410	3.4
145.10130	56.9
147.08043	27.7
147.11685	9.3
149.09634	15.9
149.13173	3.5
151.07535	12.5
151.11174	3.7
153.09160	2.5
154.07797	5.4
155.08562	13.6
156.09392	10.5
157.10152	41.5
158.10893	6.9
159.06891	2.9
159.08009	12.9
159.11705	31.6
160.08859	5.9
160.12538	2.5
161.09612	12.3
161.13242	7.0
163.11237	20.4
165.07005	3.9
165.09119	51.5
167.08556	5.8
168.09352	5.0
169.10115	20.7
170.10884	7.3
171.08092	2.2
171.11719	25.7
172.12532	3.2
173.09648	13.3
173.13196	12.2
174.10406	2.2
175.11185	27.1
175.14813	5.3
177.09021	4.7
177.12782	4.1
178.09868	5.3
179.08588	6.9
179.10727	2.4
180.09294	6.1
180.11472	3.2
181.10175	12.6
181.12215	22.1
182.10904	6.2
183.11696	16.1
184.12402	4.4
185.09688	5.5
185.13271	15.9
187.11151	6.9
187.14771	6.3
188.11536	2.7
189.12766	13.0
190.13490	12.1
191.10669	5.3
191.14343	3.1
192.09322	3.0
193.10187	7.2
193.12259	16.2
194.10924	6.2
195.08072	2.1
195.11670	16.8
195.13542	4.1
196.12416	7.1
197.09587	5.5
197.13293	19.5
198.10587	2.7
199.11166	5.9
199.14789	7.2
201.12784	8.2
203.14333	23.4
205.12309	2.3
206.10965	2.7
207.11673	8.9
207.13821	13.5
208.12645	5.0
208.14597	10.9
209.13295	13.7
210.14098	3.0
211.11255	3.6
211.14763	9.1
212.15553	3.1
213.12753	8.1
215.14412	5.1
219.11787	4.1
219.13806	9.4
221.13257	9.5
221.15350	100.0
222.15781	3.2
223.14828	7.5
225.12700	5.3
225.16429	5.0
227.14345	4.4
229.15814	3.2
231.11691	2.5
231.13795	2.9
233.13239	4.1
233.15366	4.6
234.16132	26.3
235.14780	6.0
235.16963	3.7
237.12708	3.7
237.16383	4.9
239.14395	3.2
239.17879	2.7
241.12216	2.5
241.15866	4.6
247.14671	1.7
247.16969	29.3
248.17627	2.6
249.16504	4.1
251.14122	4.5
251.18176	2.8
253.16002	3.5
254.16827	2.4
255.17525	2.0
257.15482	2.4
259.16949	7.6
261.18484	3.3
263.14236	4.1
263.17789	3.8
265.16132	2.2
271.16833	5.2
273.18362	2.7
274.19315	14.3
279.17422	3.3
281.19113	2.6
283.16940	2.8
283.26752	2.3
285.18829	3.9
285.21805	2.4
286.19370	3.8
287.20084	10.3
289.19519	2.3
297.18549	4.5
299.20151	17.3
300.20847	3.3
309.18542	2.4
311.19928	4.6
312.20764	10.0
313.21664	7.3
325.21616	15.0
327.23312	4.8
331.20425	2.6
337.21689	5.0
339.23184	3.7
340.23969	17.9
352.23929	36.3
365.24619	7.9
366.25568	4.0
379.26080	5.5
387.25024	5.8
391.26404	5.1
392.26956	3.0
396.42227	2.3
413.26715	7.2
419.29434	10.8
420.30420	4.7
425.26877	9.6
426.27383	4.0
427.28339	16.1
440.29260	41.5
442.30820	6.6
494.34009	3.1
507.34384	4.4
508.35452	7.9
520.35577	38.3
521.36115	4.2
582.40521	2.6
585.38879	5.2
600.41730	33.7
628.99335	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78472	2.4
53.03942	6.4
55.01855	2.6
55.05513	13.4
57.07070	11.2
59.04991	5.0
65.03954	5.9
67.05499	18.6
69.03436	13.5
69.07079	13.9
71.05006	5.9
71.36680	4.9
79.05489	29.1
81.03414	2.6
81.07057	32.1
83.04976	11.7
83.08624	8.4
85.06555	6.8
89.06017	2.4
91.05499	46.1
93.07054	63.8
95.04995	20.4
95.08616	33.7
97.06535	9.7
99.36473	2.7
103.05493	5.3
105.07037	90.7
107.04989	4.2
107.08602	46.7
109.06531	18.0
109.10155	17.6
111.08071	4.9
113.09639	4.1
115.05443	5.5
115.53039	2.2
117.07044	15.0
119.08593	76.8
121.06537	13.8
121.10153	38.7
123.08085	26.8
123.11723	5.2
124.14822	2.3
125.05994	6.2
125.09628	9.9
128.06229	12.1
129.07010	23.6
130.07751	7.1
131.08577	37.2
133.06511	8.0
133.08598	3.3
133.10149	36.4
135.08069	22.2
135.11665	15.2
137.05983	3.7
137.09644	15.3
139.07611	4.5
141.07028	8.2
142.07806	25.2
142.49039	2.4
143.08588	48.1
144.09381	12.2
145.10138	59.3
145.11269	3.0
147.08052	33.4
147.11696	16.1
148.08691	3.7
149.09651	19.5
151.07562	17.7
154.07832	3.7
155.08577	18.3
155.10674	2.7
156.09364	16.0
157.10138	73.7
158.10921	9.9
159.08055	17.9
159.11700	35.1
160.08897	2.9
161.09619	19.1
161.13280	8.4
162.10345	2.6
163.11218	18.3
165.06993	6.0
165.09117	36.1
166.07851	3.3
167.08569	8.6
167.10715	13.3
168.09346	7.7
169.10159	27.1
170.10869	10.7
171.08133	4.2
171.11697	36.4
172.08853	4.6
172.12381	5.4
173.09706	11.4
173.13281	16.7
175.11212	26.1
175.14877	5.4
177.09070	3.4
177.12752	5.3
179.08569	8.4
179.10707	3.8
180.09317	7.8
180.11476	4.7
181.10107	13.8
181.12242	10.9
182.10869	10.7
183.08104	2.4
183.11710	22.2
184.12434	5.7
185.09654	7.1
185.13271	18.6
187.11150	12.5
187.14764	4.4
188.12012	3.1
189.12720	11.9
190.13533	11.4
191.10672	5.1
191.14334	6.9
192.09351	3.1
193.10143	15.1
193.12291	8.3
194.10947	9.0
195.11760	24.8
196.12370	5.9
197.09636	7.1
197.11649	5.0
197.13293	22.3
198.10382	2.7
199.11234	8.0
199.14828	9.0
201.12794	4.8
203.10757	2.5
203.14343	24.2
205.12286	2.9
206.10887	5.7
207.11740	14.5
207.13811	15.1
208.12581	5.8
208.14615	9.8
209.13312	20.0
209.15199	4.2
210.13995	4.5
211.11253	7.3
211.14845	8.4
212.15591	2.4
213.12759	15.0
215.14391	4.6
217.10126	3.0
218.16731	4.0
219.11713	3.4
219.13846	4.3
220.12537	5.4
221.13264	11.6
221.15352	88.2
223.14848	13.2
224.15732	3.1
225.12822	7.2
225.16373	7.8
226.13545	3.0
227.14250	6.1
230.12955	2.6
231.11734	4.5
231.13878	3.5
233.13322	6.0
233.15298	18.2
234.15997	12.4
235.14784	8.6
236.15437	2.9
237.12708	5.5
237.14697	28.8
237.17024	2.8
239.14392	3.2
246.14032	3.5
247.14888	4.2
247.17014	10.4
248.14165	9.1
249.16499	9.3
251.14232	3.9
253.15898	7.3
253.24300	3.0
255.17409	20.6
258.87540	2.4
259.17035	3.6
261.16422	7.0
263.18085	5.2
265.19635	3.0
267.17480	5.0
269.18967	6.1
270.19647	3.8
271.17053	4.0
273.18594	4.8
274.19296	11.7
279.17419	5.9
281.19046	6.8
285.18625	5.9
286.19345	15.7
287.20059	12.3
294.19830	5.2
295.20651	4.3
297.18710	3.4
299.20206	14.2
303.19568	50.7
309.18756	3.9
311.20187	5.9
312.20792	7.7
313.21912	12.5
319.20563	3.8
322.22910	3.0
325.21606	15.8
333.22186	3.8
337.21738	4.1
352.23999	100.0
365.24759	21.7
377.24707	6.0
383.25809	7.1
463.32526	2.8
487.32178	5.6
502.34225	7.7
503.35144	5.7
505.32956	6.6
507.34692	13.8
508.34787	7.5
520.35541	37.9
582.40570	5.2
585.39496	3.5
600.41614	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
55.01863	3.1
55.05519	26.2
56.08113	2.5
57.07069	9.4
65.20537	3.1
67.05182	3.5
67.05511	41.1
68.29023	2.8
69.03427	19.7
69.07067	28.6
69.50014	18.3
71.04976	8.2
73.06547	3.3
79.05489	39.1
81.07057	50.0
83.04980	21.2
83.08623	15.8
85.02904	4.1
85.06535	12.2
87.04476	4.9
89.06016	10.9
91.05484	60.4
92.05817	2.7
93.07043	74.3
95.04964	27.2
95.08620	44.5
97.06532	19.9
97.10179	2.7
98.20759	5.3
103.05457	5.3
105.07030	100.0
107.08598	75.8
109.06499	18.3
109.10158	43.9
111.04439	3.5
111.08072	9.8
113.09671	6.9
115.05422	8.6
117.07016	28.2
119.08585	93.3
120.00617	2.7
121.06498	12.0
121.10147	70.7
123.08076	34.6
123.11729	6.8
125.06020	3.4
125.09639	17.3
128.06209	13.7
129.07018	31.5
130.07764	8.8
131.08583	43.1
132.09073	2.5
133.06499	7.2
133.07619	2.4
133.08588	9.6
133.10130	58.3
135.08081	21.3
135.11674	15.3
137.09615	10.7
139.11182	8.8
141.07005	12.6
142.07779	32.9
143.08563	67.5
144.09387	18.5
145.06462	8.9
145.10133	81.2
146.07196	4.2
146.10861	5.6
147.08057	18.8
147.11682	25.9
149.09639	18.7
149.13277	5.5
151.07556	5.2
153.06995	7.4
154.07736	3.2
155.08595	23.4
155.10632	16.2
156.09352	25.6
157.10133	86.0
158.07265	4.0
158.10835	10.8
159.08073	25.8
159.11699	60.7
160.08818	7.9
161.09679	19.9
161.13257	7.4
163.11165	11.8
165.06970	8.8
165.09134	7.8
165.12837	4.3
166.07796	6.1
167.08540	17.1
167.10652	23.1
168.09343	11.2
168.10927	2.7
169.10132	39.1
170.10912	17.9
171.08057	3.3
171.11703	52.3
172.08804	5.1
172.12448	7.8
173.09644	15.1
173.13278	27.7
175.11166	18.9
175.14792	7.9
177.12712	4.1
179.08545	15.0
180.09300	11.6
181.10107	24.6
181.12204	7.4
182.10962	13.3
183.11710	34.6
184.12415	6.3
185.09608	6.6
185.13264	33.2
186.14047	5.5
187.11182	10.4
187.14810	14.6
189.12727	8.6
190.13443	4.4
191.08513	3.7
191.14281	7.2
192.09399	6.3
193.10121	23.8
193.12006	5.3
194.10837	11.8
195.11697	31.8
196.12437	12.6
197.09531	5.3
197.13234	36.0
198.14091	5.7
199.11217	8.0
199.14873	16.7
201.12669	10.1
203.14299	11.8
205.10152	6.3
206.10901	8.5
207.11671	26.3
207.13747	6.8
208.12459	11.6
208.14328	2.7
209.13251	35.9
210.13972	4.5
211.11247	6.5
211.14833	19.3
212.15491	2.9
213.12752	10.8
213.16357	8.9
215.14314	8.1
217.10034	4.2
217.15828	4.5
218.16583	3.9
219.11694	7.3
220.12537	9.1
221.13269	17.2
221.15375	23.5
222.13940	8.7
223.11232	4.0
223.14781	21.0
224.15613	4.9
225.12723	6.6
225.16284	13.3
227.14276	8.7
229.15839	5.7
230.10858	4.2
231.11676	6.7
232.12425	4.9
233.13228	9.4
233.15344	22.9
234.13966	6.3
234.16116	9.5
235.14844	13.2
236.15428	4.8
237.12686	4.6
237.16451	16.8
238.17130	2.8
239.14201	5.2
241.15820	5.2
245.13255	8.2
246.13968	4.7
247.14778	12.6
247.16968	5.2
248.15460	4.3
249.16376	11.2
251.14290	3.7
251.18042	6.9
253.15862	5.5
255.17461	36.8
259.14722	6.8
260.15521	3.8
261.16367	10.1
263.17932	9.9
265.15887	6.3
265.19452	6.0
265.25272	4.9
267.17374	4.5
269.19116	7.2
270.19852	9.8
273.16165	5.1
273.18744	5.3
274.19278	4.0
275.17969	7.8
277.15900	4.9
277.19403	3.8
279.17477	3.9
281.18991	9.6
282.19644	3.4
283.20544	4.0
285.18515	4.3
286.19223	6.2
287.20190	3.4
289.19550	3.9
295.20383	3.8
299.20041	9.5
313.21909	3.3
317.22943	4.1
329.22495	3.4
345.22086	3.5
347.23495	4.8
351.23474	3.0
365.24844	6.1
367.26898	2.9
377.24448	3.1
383.25650	6.5
600.41504	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
55.01883	3.4
55.05522	18.8
57.07056	9.6
59.04971	2.4
65.03922	6.0
67.05504	36.1
69.03432	14.3
69.07072	15.9
70.23720	3.4
70.24089	4.0
71.04975	4.0
72.54428	2.4
77.03909	2.8
79.05067	3.3
79.05492	40.1
81.06599	3.4
81.07056	42.4
83.04989	23.2
83.08634	12.9
83.09048	2.3
85.06523	10.1
87.04456	5.5
91.05477	56.0
93.07042	74.4
95.04978	24.2
95.08610	37.1
97.06515	13.4
103.05456	6.6
105.04478	4.0
105.07034	100.0
107.04942	5.1
107.08597	65.8
109.06537	20.6
109.10153	34.6
111.08071	9.1
113.09598	5.1
115.05407	7.8
116.06254	3.5
117.07024	22.1
119.06057	2.5
119.08585	83.9
120.09335	3.1
121.06490	15.7
121.09325	4.6
121.10145	57.9
121.30933	2.2
123.07331	3.4
123.08081	37.0
123.11674	9.1
125.09620	10.9
128.06195	14.7
129.07007	22.3
130.07770	9.7
131.08565	51.9
132.09312	5.8
133.06474	5.5
133.10139	55.6
135.08083	21.8
135.11685	13.0
137.09621	12.9
139.11168	5.9
141.06985	14.9
142.06761	3.5
142.07784	37.7
143.07503	4.8
143.08560	58.7
144.09340	14.4
145.06477	5.0
145.10120	78.2
146.10843	3.0
147.08063	22.9
147.11662	17.6
149.09578	16.5
149.13220	4.0
151.07518	11.2
151.11218	3.4
153.06982	7.0
154.07735	5.7
155.08553	31.4
155.10635	7.2
156.09375	22.6
157.06483	2.5
157.10135	79.8
158.10875	9.2
159.08089	20.7
159.11693	52.5
160.08797	7.6
161.09625	18.6
161.13275	9.4
163.11191	16.6
165.06992	11.2
165.09114	19.3
166.07828	5.4
167.08562	15.6
167.10661	17.7
168.09351	9.8
169.10138	36.6
170.10878	14.8
171.11693	54.9
172.12439	8.1
173.09685	16.0
173.13248	23.6
174.10466	4.0
175.11169	20.7
175.14861	7.8
177.09207	2.9
179.08537	11.7
179.14288	3.1
180.09277	8.0
181.10109	24.4
181.12212	7.0
182.10899	15.8
183.08156	3.6
183.11676	37.5
184.12372	5.0
185.09608	7.4
185.13264	27.1
186.10321	3.1
186.13931	3.8
187.11179	10.9
187.14832	9.8
189.12755	12.2
190.13528	6.9
191.08592	2.5
191.14244	4.9
192.09311	5.9
193.10153	21.7
193.11971	3.7
194.10936	14.2
195.11696	32.1
196.12502	12.0
197.09656	4.4
197.13257	32.2
198.13988	4.6
199.11140	8.8
199.14825	17.2
201.12706	8.0
201.16371	4.9
203.14264	16.3
204.09340	3.1
205.10173	5.1
206.10869	7.4
207.11658	21.6
207.13721	6.7
208.12404	7.3
208.14337	3.1
209.13307	29.1
209.15295	6.0
210.14131	5.5
211.11212	6.9
211.14769	20.3
213.12714	14.9
213.16307	6.1
215.14372	11.4
216.15018	3.8
217.10225	4.8
218.10927	2.6
218.16621	5.8
219.11713	7.8
219.13721	4.3
220.12442	7.2
221.13220	15.7
221.15356	36.7
222.14011	6.6
222.15903	3.3
223.11319	2.7
223.14864	21.4
224.15327	3.0
225.12723	8.8
225.16380	9.4
226.13426	2.7
227.14261	7.9
227.17859	3.1
229.15939	2.9
231.11687	7.0
232.12448	6.3
233.13153	12.7
233.15349	31.2
234.13928	4.9
234.16090	7.5
235.14870	15.3
237.12686	4.4
237.16579	14.7
239.14270	4.1
239.18022	3.1
241.15884	3.4
245.13144	5.4
246.14046	5.9
247.14821	10.6
247.17027	4.4
249.16422	10.7
251.14215	3.3
251.17952	5.9
253.15834	6.9
255.17461	38.3
257.18765	3.0
258.13971	3.2
259.14780	6.5
261.16345	11.6
263.17935	10.0
265.15823	2.9
265.19388	6.2
267.17365	4.6
269.19101	6.5
270.19724	6.7
271.17218	3.8
273.18515	8.6
274.19452	4.0
275.17831	5.3
277.15848	4.0
277.19250	2.7
279.17493	5.1
281.18851	6.6
283.20328	3.3
285.18701	3.8
286.19330	4.6
287.20074	7.7
289.19373	3.8
293.19037	2.7
294.19720	4.8
299.20096	7.5
303.19565	8.2
307.20502	3.2
313.22028	3.2
325.21542	3.3
345.22223	2.9
347.23703	7.1
352.23935	17.5
365.24716	10.3
383.25610	6.3
384.99442	2.8
444.53278	2.8
480.95862	2.5
503.35349	2.9
520.35565	5.1
567.37903	3.3
582.40436	5.9
585.39520	4.1
600.41248	18.2
612.12305	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	600.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01866	1.9
55.05527	6.9
57.07085	10.0
59.05003	4.6
65.03942	1.5
67.05505	13.1
68.02483	1.3
69.03430	8.3
69.07064	6.8
71.04999	1.9
71.42928	1.8
71.43269	1.9
77.03983	1.2
79.05494	13.5
81.03437	1.9
81.07058	17.8
83.04980	5.8
83.08618	3.5
85.06555	5.5
89.06052	4.2
91.05489	26.5
92.06287	2.5
93.07052	31.9
95.04974	8.7
95.08619	20.8
97.06532	5.9
98.01077	1.3
98.07555	1.3
103.05470	2.7
105.07043	44.0
107.04973	2.0
107.08595	21.1
109.06539	10.1
109.10176	6.9
110.10413	1.3
111.08109	1.9
115.05502	1.4
117.07012	12.8
119.04983	1.7
119.08591	53.1
120.09379	2.7
121.06506	5.0
121.10160	19.4
122.07304	2.7
123.08099	15.9
123.11661	1.4
125.06001	10.0
128.06239	4.2
129.07008	9.2
130.07808	4.2
131.08577	22.5
132.09358	3.0
133.06480	3.4
133.08650	2.2
133.10132	22.3
134.10927	2.6
135.08066	21.3
135.11742	6.0
137.06001	2.7
137.09621	13.4
139.07538	3.3
139.11115	1.9
141.07019	4.3
142.07771	10.0
143.08575	23.5
144.09328	6.2
145.06496	2.2
145.10133	35.2
146.10873	2.0
147.08058	25.6
147.11716	7.8
147.87279	1.4
148.08701	1.3
149.09616	13.4
149.13364	2.3
150.10419	2.8
151.07567	10.7
151.11211	2.3
153.07007	2.0
154.07802	1.6
155.08534	10.6
156.09357	10.4
157.10159	31.8
157.11475	1.8
158.10873	5.7
159.08099	7.7
159.10480	1.8
159.11711	22.7
160.08855	1.7
160.12592	1.3
161.09605	9.8
161.13297	5.5
163.07527	1.5
163.11198	16.2
165.06976	2.9
165.09116	44.6
166.09483	3.8
167.08585	3.2
168.09315	3.1
169.10130	12.6
170.10898	7.9
171.08095	2.3
171.11708	16.0
172.08821	2.1
172.12462	3.4
173.09660	7.6
173.13277	8.0
175.11200	22.6
177.09149	3.5
177.11368	2.1
177.12787	2.3
178.09914	3.3
179.08582	3.7
179.10748	2.6
180.09349	2.3
180.11571	3.4
181.10141	7.7
181.12225	16.4
182.10840	4.2
183.08104	1.3
183.11694	15.2
184.12463	4.2
185.09599	3.6
185.13229	9.8
187.11160	5.4
187.14845	3.6
189.12737	7.0
190.13496	9.9
191.10669	6.1
191.14337	1.8
193.10165	4.0
193.12256	14.3
194.10925	4.0
195.11725	10.0
195.13719	2.7
196.09013	2.6
196.12411	4.1
197.09662	2.2
197.13261	11.9
198.10483	1.8
198.13930	1.6
199.11180	6.8
199.14769	3.4
201.12816	6.5
201.16408	1.7
203.14326	19.4
206.10938	2.2
207.11737	5.3
207.13834	9.4
208.12538	2.7
208.14537	6.5
209.09663	1.8
209.13335	7.9
209.15085	1.6
210.10437	1.5
210.14061	3.7
211.11163	5.1
211.14865	6.4
212.15535	1.9
213.12717	5.8
213.16342	2.2
214.13416	1.6
215.14375	1.7
216.15005	1.6
217.12207	1.8
219.11853	2.3
219.13837	8.0
220.12550	2.0
221.13362	5.6
221.15369	100.0
222.15768	6.6
223.11180	2.5
223.14795	5.1
225.12753	4.0
225.16373	3.0
227.14375	3.3
229.15945	2.8
231.11830	2.3
231.13838	2.1
233.13220	2.2
233.15401	3.4
234.13916	3.3
234.16139	23.4
235.14868	4.6
237.12787	5.4
237.16394	1.7
239.14349	2.1
239.17998	2.7
241.15891	2.4
243.13841	2.2
245.15480	1.5
247.14626	2.0
247.16975	28.5
248.17763	3.0
249.12660	1.5
249.16414	3.8
251.14296	2.4
251.17903	1.5
253.15935	1.9
259.14630	2.0
259.16980	4.6
261.18643	3.1
265.15887	2.1
267.17514	1.8
271.16891	4.1
273.18597	1.9
274.19330	12.4
277.15948	1.9
279.17404	2.8
281.19107	3.7
285.18582	2.4
286.19348	4.0
287.20166	12.1
297.18439	4.7
299.20123	15.8
300.20889	2.2
307.20602	2.4
309.18506	1.4
310.19257	2.1
311.20334	6.5
312.20911	7.4
313.21594	8.3
315.21133	1.6
325.21683	15.9
327.23331	3.0
337.21524	4.2
339.23331	5.1
340.24011	16.6
345.20963	1.4
351.23016	1.7
352.24020	25.0
353.24918	1.6
365.24756	4.4
366.25464	5.9
377.24838	1.9
379.26239	4.1
380.09131	1.5
381.70432	1.3
387.25418	5.1
391.26309	4.2
392.26907	3.6
400.26361	1.8
402.27640	2.5
402.49496	1.6
413.26947	4.6
417.94040	1.4
419.29773	9.3
419.34952	1.6
420.30173	5.3
425.27054	7.4
426.27521	5.6
427.28452	16.4
428.29404	1.8
440.29297	46.4
442.30823	3.6
454.30518	1.3
457.31049	1.5
494.34137	1.9
507.34683	2.4
508.35229	6.9
520.35431	30.1
521.36255	2.1
525.15924	1.3
572.10785	1.6
582.40405	3.0
585.39148	4.7
600.41620	30.4
600.50934	2.9
601.41907	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05507	6.4
56.55931	1.8
57.07081	11.9
59.04999	4.1
61.72635	1.9
65.03946	2.2
65.36834	1.9
67.05517	15.7
69.03410	8.8
69.07055	6.7
70.69550	4.2
70.69920	4.5
77.03915	2.4
79.05505	17.1
81.03392	2.5
81.07058	22.0
82.07372	2.5
83.04977	4.9
83.08605	3.6
85.06532	5.6
89.06024	9.9
91.05490	33.9
93.07053	34.0
95.04968	10.0
95.08617	22.9
97.06532	5.8
100.85072	1.8
103.05453	2.0
104.84357	2.0
105.06325	1.9
105.07032	39.4
107.04911	2.0
107.08601	21.8
109.06524	12.9
109.10146	7.1
112.58190	1.8
115.05424	3.0
116.06219	1.9
117.07055	13.1
119.04942	1.8
119.08581	55.0
120.09403	2.1
121.06490	6.8
121.10161	19.2
123.08090	16.5
125.05971	11.2
128.06218	4.6
129.07024	9.3
130.07768	3.8
131.08588	24.9
132.09384	2.2
133.06544	3.4
133.08582	3.2
133.10138	22.9
134.10884	2.9
135.08069	20.9
135.11690	7.9
137.05995	4.1
137.09610	13.7
141.07008	4.8
142.07784	9.4
143.08586	22.1
144.09303	4.7
145.06500	4.0
145.10130	37.6
147.08057	25.9
147.11676	7.3
149.09604	12.3
151.07584	13.1
151.11198	2.1
153.07024	3.2
154.07758	2.3
155.08603	10.3
156.09308	8.0
157.10133	37.0
158.10913	3.6
159.08086	7.3
159.11682	22.4
160.08835	4.4
161.09566	11.5
161.13214	6.8
163.11169	18.0
165.07008	2.5
165.09128	44.2
167.08568	2.8
168.09273	2.8
169.10121	13.0
170.10880	6.0
171.11697	13.7
172.08762	2.2
172.12379	3.0
173.09665	9.3
173.13225	7.8
175.11157	21.9
175.14783	3.6
177.09187	3.0
177.12720	3.1
177.22208	2.2
179.08565	4.8
181.10356	9.2
181.12224	22.7
182.10988	4.7
183.11717	15.2
184.12372	3.3
185.09583	4.8
185.13229	7.3
187.11203	5.3
187.14859	4.2
188.12029	1.9
189.12721	7.9
190.13522	10.1
191.10680	5.5
192.09497	2.7
193.10152	6.6
193.12260	15.2
194.10889	3.2
195.11740	9.8
196.12498	4.2
197.09642	3.5
197.13330	11.5
199.11226	4.3
199.14873	2.7
201.12697	6.9
203.14343	18.6
204.14658	2.1
205.10220	2.9
207.11652	8.5
207.13791	12.5
208.12511	4.7
208.14609	8.9
209.13200	8.0
210.13966	3.5
211.11166	3.6
211.14764	7.5
213.12778	5.6
215.14360	4.7
216.15079	2.6
217.15697	2.3
219.11774	3.8
219.13817	7.5
221.13341	7.0
221.15364	100.0
222.15761	10.2
223.14813	4.8
225.12753	3.6
225.16312	4.1
227.14308	2.8
229.15834	4.4
233.13237	3.7
233.15359	3.9
234.16144	24.0
235.14790	2.5
237.12715	3.2
237.16438	3.1
239.14281	2.5
241.15996	3.0
247.14775	2.7
247.16988	34.5
248.17615	4.7
249.16385	3.7
251.14267	2.2
253.16045	2.7
259.16925	5.4
261.18643	3.1
269.15308	2.2
271.16916	3.6
272.17938	2.3
274.19266	13.9
279.17368	3.1
283.26413	3.5
285.18628	3.0
286.19269	3.7
287.20166	10.6
297.18619	2.6
299.20117	17.1
300.20856	3.2
300.29022	2.5
310.19299	2.7
311.20105	6.8
312.20801	8.5
313.21518	8.1
325.21521	13.3
326.22110	2.1
327.23242	4.9
337.21378	3.2
339.23157	4.9
340.23981	17.1
352.23969	31.1
365.24753	7.3
366.25491	3.8
377.24631	2.7
379.26407	4.0
387.25183	4.6
391.26221	3.7
392.26855	4.3
400.26007	3.1
413.26663	6.5
419.29626	10.6
420.29947	3.5
425.26721	4.5
426.27826	4.4
427.28525	17.2
440.29266	42.4
442.30573	2.6
494.33698	3.7
507.34549	3.1
508.35535	10.0
520.35522	34.2
521.35828	2.7
538.51776	2.7
585.39117	4.3
600.41565	40.3
600.56567	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63203	1.5
53.03935	3.6
55.05513	9.9
57.07077	14.9
58.64680	1.6
59.05013	2.1
65.03938	4.1
67.05504	17.0
69.03439	10.6
69.07057	7.0
71.08614	1.9
71.51497	2.1
79.05492	19.4
81.07059	28.0
83.04990	10.2
83.08611	3.7
83.29856	1.7
85.06544	3.6
87.04425	2.3
89.06038	13.8
89.65170	1.9
91.05482	35.4
92.06281	2.6
93.07053	39.7
95.04961	10.6
95.08618	26.2
97.06524	7.8
103.05472	2.2
105.07040	63.2
107.04934	2.7
107.08614	29.7
109.06519	15.8
109.10170	10.7
111.08043	2.9
115.05447	4.9
117.07030	13.9
119.08589	63.0
120.09379	2.3
121.06516	10.0
121.10159	25.1
122.07238	2.6
123.08064	17.2
123.11728	2.6
125.06007	14.6
128.06216	8.4
129.07013	11.5
130.07784	4.7
131.08588	26.6
132.09309	3.4
133.06502	5.5
133.08614	4.3
133.10135	27.7
134.10876	2.5
135.08075	24.7
135.11699	9.6
136.08827	2.1
137.09628	16.4
139.07526	4.4
139.11148	2.0
141.07024	5.4
142.07784	13.7
143.08569	29.0
144.09331	5.8
145.06503	3.7
145.10139	45.4
147.08051	27.9
147.11708	9.0
149.09637	13.5
151.07564	10.5
154.07811	2.4
155.08542	9.7
155.10689	2.1
156.09351	13.2
157.10139	38.4
157.11339	1.3
158.07294	3.1
158.10901	6.5
159.08075	9.4
159.11707	26.1
160.08789	5.0
160.12454	3.7
160.88777	1.9
161.09601	12.9
161.13249	7.2
162.10385	1.8
163.07498	2.4
163.11194	19.7
165.07048	2.8
165.09132	52.0
167.08588	5.4
168.09377	5.0
169.10109	16.5
170.10899	5.8
171.08080	2.7
171.11670	18.2
172.12514	3.7
173.09569	11.0
173.13290	8.2
175.11172	25.5
175.14873	3.5
176.11954	2.0
177.09132	2.3
177.12708	3.4
178.09912	3.5
179.08519	4.4
179.10747	4.1
180.09335	3.1
180.11444	2.5
181.10143	7.8
181.12234	22.2
182.10931	4.6
183.11702	19.2
184.12424	3.9
185.09633	4.3
185.13301	12.5
187.11192	8.8
187.14868	3.2
189.12758	7.9
190.13522	11.1
191.10680	7.3
191.14247	2.7
192.09299	2.2
192.11388	2.4
193.10181	6.5
193.12253	15.6
194.10890	3.0
195.11746	12.3
196.12469	4.6
197.09604	4.1
197.13290	13.4
198.10406	2.1
199.11174	7.6
199.14876	2.6
201.12845	9.0
203.14297	18.8
205.10117	2.1
206.10867	2.2
207.11705	5.3
207.13828	11.6
208.12645	4.3
208.14580	10.0
209.09480	1.9
209.13368	9.8
210.14069	4.0
211.11253	3.2
211.14862	9.1
212.12016	2.8
213.12784	4.8
215.14351	6.6
219.11903	2.9
219.13820	10.4
221.13402	6.9
221.15370	100.0
222.15729	4.7
223.11243	3.3
223.14851	6.4
225.12787	3.1
225.16331	2.7
227.14281	4.6
229.15863	6.0
231.13744	2.8
233.13364	2.9
233.15419	3.8
234.16113	27.5
235.14824	6.1
237.12654	5.0
238.17078	1.9
239.18004	3.3
240.18617	2.2
241.15912	3.1
247.14592	3.0
247.16969	32.3
248.17709	3.4
249.16385	3.9
251.14433	2.3
251.17992	2.6
253.15833	2.1
255.17393	4.1
259.16962	6.1
261.18634	3.5
265.15961	2.6
269.19040	2.4
271.16864	5.0
273.18698	2.3
274.19336	16.0
279.17474	2.5
281.18839	2.7
285.18536	5.1
286.19223	2.9
287.20010	14.3
299.20102	18.1
300.20618	4.2
307.20541	3.0
310.19177	2.7
311.20068	6.1
312.20795	9.3
313.21515	10.5
325.21640	18.3
337.21671	8.4
339.23181	5.7
340.24094	15.9
345.74750	2.4
351.23257	2.3
352.23993	34.3
353.24454	2.9
365.24814	5.5
366.25488	3.3
377.24768	2.5
379.26288	2.8
387.25266	7.8
391.26349	3.9
392.27191	3.2
400.25931	2.5
402.27859	1.9
413.26801	7.0
415.25394	2.3
419.29486	14.1
420.30066	4.5
425.26758	7.2
426.27579	4.8
427.28470	13.4
440.29260	54.3
442.30649	5.0
505.33136	2.8
507.34586	2.7
508.35056	7.2
520.35553	27.5
521.35669	4.2
585.39233	3.6
600.41815	33.6
600.55090	3.3
601.41638	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.4
55.01867	3.7
55.05521	16.2
57.07064	13.8
59.04986	7.1
65.03938	3.3
67.05514	28.7
69.03439	18.3
69.07058	13.6
69.49827	2.9
70.76944	9.1
71.04990	6.7
79.05489	31.5
81.07061	34.2
83.05001	20.1
83.08625	6.1
85.06539	7.8
91.05486	47.0
93.07044	66.7
95.04974	23.1
95.08598	33.3
97.06534	11.4
103.05495	3.2
104.73276	2.8
105.07037	95.3
107.08604	57.3
109.06514	21.6
109.10158	16.3
111.08076	5.9
115.05471	6.1
116.06213	3.3
117.07061	20.6
119.08590	71.3
121.06508	17.9
121.10162	43.6
123.08064	33.6
125.05991	9.5
125.09647	10.3
128.06174	17.1
129.06993	27.1
130.07780	11.6
131.08574	52.5
132.09306	6.4
133.06525	7.8
133.10129	40.6
135.08060	22.6
135.11713	14.3
136.19154	3.1
137.06023	3.4
137.09627	24.4
139.07541	7.2
139.11194	6.3
141.06987	10.3
142.07773	34.2
143.08575	44.1
144.09386	15.4
145.06500	8.7
145.10138	69.0
147.08052	35.0
147.11670	16.1
149.09575	21.2
151.07535	26.3
151.11185	3.9
152.36989	3.0
153.07031	6.4
153.09131	4.4
155.08539	18.9
155.10695	2.9
156.09369	20.6
157.06519	3.0
157.10144	75.5
158.10861	11.2
159.08046	16.2
159.11693	33.2
160.08839	6.4
161.09631	24.9
161.13251	10.5
163.09929	4.1
163.11150	23.8
165.07019	6.8
165.09128	44.0
166.07773	3.7
167.08543	13.4
167.10675	13.5
168.09361	7.1
169.10138	31.6
169.12411	3.6
170.10881	13.6
171.08049	8.7
171.11691	48.6
172.12381	5.6
173.09621	15.0
173.13214	14.7
175.11179	27.1
176.11937	5.9
177.09071	5.8
177.12807	3.3
179.08568	11.7
180.09349	7.2
181.08734	3.8
181.10135	18.3
181.12213	24.4
182.10924	11.9
183.08060	4.8
183.11716	23.4
184.12502	7.7
185.09648	6.2
185.13307	20.7
187.11232	12.8
187.14784	8.8
189.12726	22.1
190.13538	12.6
191.14227	5.7
192.09430	5.4
193.10121	14.8
193.12254	9.6
194.10936	10.1
195.08127	3.3
195.11696	30.1
195.13556	5.1
196.12451	9.6
197.09703	6.4
197.11604	5.8
197.13194	22.2
198.10529	3.2
199.11224	10.5
199.14870	10.6
201.12747	7.9
203.14319	31.7
205.10233	5.1
205.12213	3.8
206.10994	6.1
207.11661	17.0
207.13792	27.7
208.12607	7.1
208.14626	9.8
209.13239	18.0
209.15234	6.5
210.14090	7.2
211.11179	5.7
211.14723	16.8
212.12015	3.8
213.12778	9.1
213.16405	7.4
215.14351	6.3
217.10181	5.2
219.11652	9.6
219.13705	4.3
220.12488	7.2
221.09850	3.8
221.13278	13.2
221.15356	100.0
221.17609	4.7
222.15768	7.1
223.14832	9.7
224.12003	3.8
225.12779	8.3
225.16281	7.2
227.14383	7.4
231.11713	6.8
233.13263	12.8
233.15443	19.3
234.14032	3.5
234.16159	13.2
235.14774	10.3
237.12721	7.9
237.14597	27.8
241.15927	6.3
247.14929	6.3
247.16954	14.3
248.14104	3.4
249.16360	10.1
250.15518	3.9
251.14296	5.6
253.15836	8.3
255.17514	20.5
259.14636	5.1
259.17068	4.0
261.16458	9.5
265.15802	4.8
265.19586	3.9
267.17578	6.3
269.18887	5.5
270.19925	5.3
271.16992	7.1
273.18643	4.0
274.19241	9.5
279.17575	4.3
281.19012	9.2
285.18497	9.2
286.19388	18.4
287.20016	12.2
294.19638	5.9
295.20499	5.2
297.18652	4.5
299.20047	12.9
300.20755	4.3
303.19638	34.4
311.20120	9.5
312.20816	10.2
313.21640	16.9
319.58109	4.8
325.21671	32.3
337.21536	8.7
352.23953	60.7
357.61981	3.3
365.24780	39.4
377.24509	5.6
383.25534	6.8
402.28818	3.6
487.31921	3.6
502.34341	8.2
505.33679	4.0
507.34695	31.2
520.35455	29.3
567.37854	4.6
582.40112	5.7
583.41534	7.3
585.39459	5.2
600.41138	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01865	2.3
55.05507	4.3
57.03427	1.6
59.05013	2.3
61.02918	2.0
65.03957	1.2
67.05508	4.8
68.99792	3.7
69.03433	16.5
69.07069	4.6
70.06591	6.4
71.04987	3.4
72.08167	1.1
72.58208	1.0
73.02898	1.8
79.05499	5.6
81.03426	14.5
81.07062	6.2
83.04996	5.5
83.08627	1.0
84.08142	3.1
85.02915	11.8
86.09721	6.4
87.00826	3.1
91.05502	5.7
93.07063	7.2
95.04977	3.9
95.08607	9.6
97.02912	9.9
97.06518	2.5
99.04465	4.3
99.08109	1.3
103.05491	1.0
105.01875	1.2
105.04510	1.2
105.07048	7.5
107.04971	5.9
107.08605	21.2
109.02887	18.6
109.06513	8.4
109.10165	7.7
111.04412	1.1
111.08089	1.3
117.07026	1.4
119.08571	4.7
121.06514	4.0
121.10147	17.6
122.07291	3.0
123.04444	1.7
123.08068	5.3
123.11707	3.2
125.06007	1.4
125.09638	2.2
127.03929	22.3
129.01817	1.1
129.10248	3.0
131.05002	1.0
131.08588	3.3
133.10141	48.4
135.04413	1.5
135.08075	6.4
135.11700	3.1
137.06023	1.2
137.09637	35.2
141.01797	2.6
145.04953	5.4
145.10124	1.7
147.02994	1.1
147.04416	2.3
147.11702	3.6
149.05971	1.6
149.09657	5.3
149.13269	10.8
151.03952	1.0
151.11197	49.1
153.09119	1.3
158.10953	2.0
159.02881	1.7
161.09621	1.3
163.03957	1.7
163.14812	4.6
165.12759	31.7
167.07059	1.3
171.11737	1.1
173.13298	6.2
177.05560	1.7
191.14323	49.8
193.15942	5.9
195.02934	1.4
201.03918	1.2
209.15384	100.0
210.15598	1.2
213.03947	4.3
231.05035	3.6
257.12723	1.9
259.09714	4.5
260.10031	4.2
269.74667	1.0
283.48535	1.4
339.07269	1.6
357.08270	2.7
429.16754	1.1
457.31964	1.0
535.33344	1.0
601.26752	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.9
55.05519	24.7
57.07080	6.7
59.05000	3.8
65.03933	4.8
67.05511	29.5
69.03433	18.6
69.07076	28.8
70.98861	3.1
71.04998	6.4
73.72094	3.4
77.03934	7.0
79.05495	35.7
81.07064	41.6
83.04994	19.8
83.08627	18.0
85.06554	4.1
87.04487	4.4
91.05483	55.6
92.12843	3.1
93.07052	76.0
94.07380	4.5
95.04972	22.6
95.08618	39.3
97.06542	12.5
103.05510	5.5
105.04554	3.3
105.07039	100.0
106.07361	5.4
107.08609	74.3
108.08917	4.7
109.06521	18.2
109.10157	34.1
111.08047	5.5
113.09663	4.4
117.07031	19.5
119.06055	2.8
119.08592	93.4
121.06538	9.8
121.10153	85.6
122.10458	4.1
123.08088	15.1
123.11708	10.5
125.06032	6.4
125.09637	14.0
128.06218	12.9
128.31625	3.4
129.07021	23.5
130.07799	7.0
131.08588	48.0
133.06496	6.7
133.07564	3.5
133.10147	65.9
134.64807	3.5
135.08054	18.5
135.11693	16.9
137.09633	8.5
139.11162	5.5
141.06979	8.1
142.07765	26.7
143.08580	43.0
144.09322	11.2
145.06366	4.7
145.10139	72.1
146.10532	5.9
147.08076	11.2
147.11684	23.5
149.09630	15.5
151.07564	4.8
153.06937	3.7
155.08588	20.3
155.10692	6.4
156.09338	16.7
157.10146	66.1
158.10805	9.9
159.08060	13.2
159.11687	39.4
160.12234	4.4
161.09651	12.4
161.13269	5.7
163.11232	8.8
165.06941	5.4
165.09129	7.6
166.07851	4.2
167.08554	9.2
167.10699	54.4
168.09383	6.1
169.10132	28.6
170.10831	5.9
171.11702	42.3
173.09650	9.6
173.13290	23.7
175.11240	10.4
175.14842	13.5
179.08560	14.1
180.09314	7.1
181.10136	12.4
181.12239	5.3
182.10933	9.3
183.11708	30.8
184.12476	4.8
185.09683	4.9
185.13284	18.6
186.13734	3.7
187.11282	7.2
187.14856	11.6
189.12769	4.7
191.14290	7.6
193.10194	14.8
194.10938	7.9
195.11694	26.9
196.12437	10.4
197.13249	30.9
199.11243	6.4
199.14825	14.7
201.12685	4.9
201.16449	8.6
203.14340	7.9
206.10899	7.9
207.11717	16.0
208.12416	6.6
209.13292	22.5
209.15016	4.4
210.13815	6.4
211.14809	14.6
213.12645	5.1
213.16371	6.1
215.14299	4.7
217.15962	7.0
219.11649	5.1
220.12480	6.9
221.13216	12.9
221.15427	18.5
223.14841	13.3
224.15298	3.3
225.16399	9.6
227.14415	6.5
231.11632	7.5
233.13177	9.6
233.15431	28.0
235.14870	10.1
237.16423	8.7
239.18034	4.9
247.14886	7.5
249.16386	6.9
251.18053	5.6
255.17407	5.6
257.18945	3.9
261.16422	6.9
265.19452	4.4
269.18988	7.4
271.20517	4.0
275.17853	6.0
283.20587	6.2
287.20041	4.2
295.20700	4.2
481.94943	3.4
565.39917	5.1
583.41412	4.8
601.42444	10.5
603.95837	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	601.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99514	1.5
53.03939	4.3
55.01863	1.8
55.05511	6.7
57.07089	8.9
59.05007	2.0
65.03940	2.4
65.55229	1.3
67.05505	9.8
67.07617	1.3
69.03428	8.9
69.07066	7.1
71.01990	2.2
77.03944	1.8
79.05493	14.5
81.07053	19.2
83.04973	5.7
83.08633	3.8
85.06549	2.9
91.05482	23.6
93.06485	3.0
93.07046	34.9
94.07367	2.0
95.04979	8.9
95.08613	19.8
97.06563	2.8
103.05453	2.6
105.07029	40.1
106.07346	1.9
107.08584	20.9
109.06522	11.4
109.10145	9.4
115.05424	2.4
117.07037	10.5
119.08585	42.9
120.08920	2.4
121.06505	6.3
121.10140	23.0
123.08061	15.1
123.11703	2.7
125.05997	5.0
128.06262	3.9
129.07018	8.4
130.07755	3.9
131.08571	16.6
133.06442	3.0
133.10132	27.6
135.08058	12.1
135.11711	8.6
135.18411	1.5
137.09618	14.5
139.07507	1.7
139.59961	1.6
141.06976	3.4
142.07748	7.7
143.08572	15.3
144.09323	4.7
145.10127	29.8
146.10449	2.5
147.08051	22.0
147.11717	7.8
149.09619	6.7
151.07584	12.1
153.38597	1.5
155.08562	5.2
156.09326	6.5
157.10133	21.0
158.10712	3.4
159.08051	3.4
159.11684	16.9
161.09615	5.3
161.13318	7.5
163.11189	10.9
165.06990	1.9
165.09122	47.9
166.09544	3.5
167.08525	2.1
168.09369	1.9
169.10114	10.5
170.10855	3.4
170.78273	1.7
171.11720	13.9
172.12253	3.1
173.09569	2.3
173.13301	7.7
175.11223	5.3
175.14850	4.3
181.10165	4.1
181.12196	8.8
182.10939	2.7
182.12555	2.3
183.11699	8.3
185.09596	2.6
185.13258	8.1
187.11142	2.4
187.14833	5.3
189.12782	4.7
190.13519	2.4
191.10696	1.8
191.14128	3.4
193.10129	4.9
193.12044	1.9
194.10916	3.0
195.11710	6.1
195.13655	1.7
196.12419	2.1
197.13290	7.0
199.11166	3.1
199.14903	2.9
201.12657	3.3
201.16449	1.8
203.14346	19.1
206.10913	1.9
207.11844	3.4
207.13832	7.9
208.14439	2.0
209.13249	7.5
209.15117	3.4
211.14867	4.2
213.12888	1.8
213.16389	2.7
221.13322	4.8
221.15359	100.0
222.13872	2.2
222.15727	11.7
223.14682	3.3
225.12750	2.1
225.16399	1.5
227.14436	1.7
232.12466	2.1
233.13266	1.8
233.15422	2.4
234.13832	2.0
234.16106	2.8
235.14691	2.7
235.16823	2.5
237.12654	1.9
237.16393	2.4
239.18001	2.2
241.19341	1.6
243.13818	1.7
247.16942	9.5
248.17274	3.0
259.16995	2.5
261.16296	1.9
265.19461	1.9
274.19241	2.3
275.19672	2.1
277.19495	2.3
283.20712	3.1
287.20084	6.7
299.20026	5.6
300.20673	7.1
301.21716	3.7
311.20068	2.2
312.20551	2.0
313.21567	4.7
319.03424	1.7
325.21698	3.2
326.21893	2.0
340.23883	2.1
341.24283	1.8
352.24127	5.0
353.24289	5.8
365.24768	2.4
367.26324	6.9
393.27792	2.4
420.30182	2.3
428.28775	3.2
440.29605	3.8
441.29486	8.8
491.35181	11.0
504.59988	1.7
504.86081	1.7
509.35907	4.7
521.36230	9.5
535.56848	1.7
565.40149	3.2
583.41241	12.5
586.39063	1.8
601.42328	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	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.5
55.05507	5.0
57.07071	7.4
59.04995	3.1
67.05511	12.3
69.03428	7.8
69.07063	5.5
69.52222	12.9
73.60646	2.0
79.05500	15.4
81.03409	2.2
81.07059	23.1
83.04984	5.7
83.08607	3.5
85.06558	3.4
89.55260	1.7
91.05492	23.3
93.07053	39.7
94.07375	2.6
95.04980	7.3
95.08611	19.2
97.06554	3.6
98.20769	3.9
105.07046	39.4
107.08607	21.3
109.06527	7.2
109.10149	8.8
117.07034	8.6
119.08594	49.6
121.06535	5.7
121.10174	19.1
123.08073	15.3
123.11722	3.3
125.05992	4.9
128.06216	3.8
129.07021	6.6
131.08595	19.3
133.10149	21.3
134.10524	1.9
135.08018	14.5
135.11702	6.7
136.08391	2.5
137.09641	9.0
139.07549	3.2
141.07005	2.2
142.07788	8.4
143.08563	16.2
144.09326	2.9
145.10138	24.2
146.10474	4.1
147.08069	27.2
147.11714	7.6
149.09627	6.5
151.07568	14.6
155.08549	6.0
156.09355	6.2
157.10153	21.3
158.10623	6.7
159.08069	4.2
159.11720	17.4
161.09663	7.4
161.13319	3.3
163.11166	11.2
165.07007	2.5
165.09131	52.2
166.09480	4.0
169.10132	10.8
170.10857	3.0
171.11682	10.7
172.12411	2.7
173.09674	4.2
173.13303	6.9
175.11232	7.7
175.14847	6.5
176.11658	2.7
179.08670	3.1
179.10617	3.1
180.09344	2.6
181.10155	6.8
181.12248	13.1
182.10974	2.2
183.11717	12.0
184.12163	2.7
185.13268	7.8
187.11142	3.0
187.14830	6.9
189.12732	6.7
191.14220	4.1
193.10155	3.8
194.10921	3.6
194.12729	2.1
195.11661	8.9
196.12384	3.6
197.13286	9.2
199.14799	2.7
201.12729	3.3
203.14316	21.7
204.14687	2.9
207.11848	4.2
207.13828	8.6
208.14438	2.4
209.13278	6.8
209.15138	3.1
211.14803	3.7
213.12779	2.2
215.14360	2.2
221.13405	4.6
221.15379	100.0
222.15752	13.3
223.14937	5.0
225.12808	2.1
225.16403	2.1
227.14313	2.8
231.13911	2.2
233.13300	3.4
234.16183	7.8
235.16777	2.8
237.16498	2.8
239.14424	2.5
247.14795	2.2
247.16922	9.1
248.17400	4.4
249.16489	2.0
267.17563	2.1
274.19278	3.7
283.20660	2.9
286.15515	1.9
286.19196	2.6
287.20135	6.2
299.20120	5.3
300.20712	7.6
301.21744	5.5
311.19781	2.3
313.21317	4.5
314.21786	2.5
325.21756	3.2
326.21814	4.1
327.23111	2.6
340.23895	5.1
341.24362	5.0
349.25293	1.9
352.23911	4.4
353.24454	8.7
367.26291	6.9
393.27551	3.5
427.28342	3.4
428.28836	3.8
440.29309	5.7
441.29559	12.6
491.35037	8.1
509.35840	4.1
521.36115	15.6
582.17755	2.2
583.41565	10.5
601.42505	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	601.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.05517	26.1
57.03452	5.3
57.07071	9.8
57.38012	2.2
67.05509	41.4
69.07072	34.5
70.72503	4.6
71.08628	5.8
77.03905	2.2
79.05496	29.1
81.07064	54.4
83.08614	19.2
89.06046	2.6
91.05479	21.9
93.07052	41.7
95.08607	50.9
97.06516	3.9
97.10175	7.3
98.95890	2.2
99.11449	2.1
105.07037	26.2
105.32494	2.5
107.08597	35.3
109.10150	23.0
111.08069	4.0
113.09644	2.7
117.07040	10.3
119.08579	29.1
121.10149	20.0
123.11729	8.0
125.09624	2.8
129.07060	2.7
131.08591	16.8
133.10155	23.2
135.11731	15.5
137.13322	3.8
143.08598	5.2
145.10118	19.4
147.11685	17.5
149.13266	16.4
157.10193	5.3
159.11722	11.9
161.13287	11.9
163.14864	5.1
171.11696	5.9
173.13235	5.5
175.14832	7.4
177.16374	3.1
181.38255	2.2
183.11717	2.9
185.13353	4.5
187.14886	6.4
189.16454	3.6
199.14903	4.7
203.18102	2.8
205.19489	3.0
217.19513	2.4
241.19803	4.6
259.20621	9.3
287.23883	3.0
311.52805	2.2
322.80676	2.9
325.27536	9.7
333.24146	3.0
343.29852	5.9
417.33545	2.8
418.96939	2.7
509.43500	3.8
583.47235	12.2
601.48285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01883	0.7
55.05513	5.5
57.07079	0.7
58.06603	36.4
59.08956	0.6
60.04516	1.3
67.05499	3.4
69.03431	1.5
69.07088	2.8
69.25908	3.1
69.26330	2.3
72.08136	1.6
78.78792	0.5
78.86541	0.6
79.05504	4.2
81.07052	4.7
83.04983	37.9
83.08614	1.3
84.08155	0.8
84.38125	0.5
85.02892	0.7
91.05485	5.1
93.07047	5.9
95.04964	1.1
95.08617	5.1
97.06517	0.9
98.21624	0.5
100.07614	8.3
105.07029	5.8
107.08598	7.5
109.06538	1.7
109.10173	1.9
109.79014	0.6
111.08078	1.6
117.07007	1.6
119.08582	9.5
120.99745	0.6
121.06518	1.3
121.10163	3.0
122.20393	0.6
123.08083	6.1
125.05959	0.6
129.07011	2.3
130.07787	1.2
131.08580	4.9
133.10136	4.0
135.08069	2.3
135.11761	0.9
137.09665	1.0
141.07024	0.9
141.20604	0.5
142.07741	1.4
143.08560	3.6
145.10143	8.0
147.08061	1.4
147.11693	4.1
149.09610	1.8
149.13286	1.1
155.08586	1.6
156.09369	1.0
157.10139	6.0
159.08066	1.0
159.11720	5.2
161.09691	1.9
161.13289	2.9
163.11261	3.3
169.10173	2.5
170.10997	0.8
171.08150	0.6
171.11653	4.6
172.12543	0.7
173.09641	1.4
173.13290	3.5
175.11148	1.1
179.08594	0.7
181.10101	1.8
183.11711	4.0
185.09639	1.1
185.13245	4.2
187.11151	0.9
187.14835	2.0
189.09091	0.7
189.12737	1.1
193.10118	1.0
195.11757	3.0
197.13243	3.3
199.11336	0.9
199.14848	1.8
201.12775	1.7
201.16499	0.7
203.10670	0.7
203.14265	1.3
207.11719	1.3
207.13638	0.7
208.12578	0.7
209.13304	2.2
211.14828	2.0
213.12872	1.5
213.16470	1.2
215.14325	0.9
217.12215	0.6
217.15950	1.3
221.13251	1.8
223.14845	4.1
224.15569	0.9
225.12817	0.7
225.16420	1.3
227.14337	1.0
227.18060	0.9
231.13759	1.1
233.15367	1.1
235.14949	1.0
237.16444	1.2
239.14380	0.6
239.17993	1.8
241.15854	0.8
243.14066	0.8
243.17564	0.7
245.15421	0.9
247.14879	0.7
249.16476	0.7
251.17845	0.7
253.19490	0.9
263.17990	0.8
265.15662	0.6
265.19574	1.6
267.17468	0.9
279.21304	0.7
283.20956	0.6
293.22699	0.7
325.21667	3.9
339.23428	1.0
341.10022	0.7
343.22437	0.8
367.22678	1.1
381.24365	0.7
423.29166	1.6
447.29007	2.4
465.30051	4.9
471.27463	3.2
483.31137	1.6
525.32050	6.6
542.35107	0.8
602.36902	100.0
603.37134	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	603.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
56.96568	2.7
64.94408	0.8
66.06742	0.9
67.46187	0.9
70.06602	1.5
71.50852	0.9
71.51246	1.1
71.83664	0.9
85.02914	1.9
96.14091	0.9
97.02974	1.2
98.97597	3.5
109.10147	1.1
110.97569	2.0
115.00717	0.9
116.40349	0.9
122.63268	0.9
125.87512	0.8
127.03956	1.1
128.98573	1.3
135.11716	0.9
137.06023	3.9
138.45389	0.9
169.05368	1.0
175.07552	2.2
209.15433	1.3
215.42131	0.9
219.01790	1.7
227.09589	2.6
237.02911	3.1
240.06903	1.0
245.10770	2.3
269.10709	2.6
281.10593	1.5
311.12671	1.0
371.13843	5.9
389.14963	7.0
413.14960	3.2
431.15948	1.9
517.20209	1.7
535.20404	1.1
559.21594	20.1
560.22241	1.0
603.20587	100.0
604.20831	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	603.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48714	1.0
54.82296	1.2
55.05520	1.1
56.96555	2.6
69.03433	1.4
69.91132	5.3
69.95074	0.8
70.06611	1.2
74.90737	0.9
83.04995	1.0
84.96069	1.1
85.02908	2.4
98.97599	5.3
110.97569	2.7
112.43426	1.2
127.03825	1.3
128.98648	1.1
137.05963	3.5
158.53426	1.1
175.07594	1.2
179.02197	1.1
219.01791	4.0
227.09686	3.0
237.02777	2.7
245.10449	4.8
269.10620	2.1
277.08798	1.0
281.10632	1.5
371.13876	7.0
389.14911	9.0
413.14987	2.1
431.16168	2.3
517.20361	1.6
547.91724	1.3
559.21619	19.4
578.15918	1.3
603.20526	100.0
604.21100	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01846	1.5
55.05503	2.9
57.03436	2.3
58.71074	0.7
59.05012	1.0
61.02914	0.7
63.38757	0.8
67.05498	1.7
69.03433	12.7
69.07064	1.4
69.43134	6.3
70.06586	3.7
71.04997	6.6
72.08138	1.1
73.02901	2.7
79.05510	1.2
81.03427	8.3
81.07053	2.4
81.94135	0.7
83.04966	4.6
83.08643	0.7
84.08153	2.0
85.02446	1.3
85.02914	20.5
86.09692	1.6
86.46617	0.8
87.00809	5.7
91.05483	2.0
93.07049	1.3
95.04967	2.5
95.08600	2.7
96.35739	0.7
97.02869	4.0
99.04462	2.0
103.05475	0.8
105.01873	6.2
105.07062	1.5
107.04956	1.5
107.08604	5.6
109.02883	4.4
109.06519	2.8
109.10135	3.6
111.04442	3.1
119.08579	2.1
121.06457	1.0
121.10151	8.7
123.08060	2.9
123.11711	2.3
127.03922	10.9
129.01840	1.0
129.05515	2.1
129.10213	0.9
133.10141	3.9
135.08046	1.6
135.11678	1.0
137.09628	8.9
145.04942	2.9
147.11668	1.7
149.09612	3.6
149.13303	4.6
151.11198	14.9
159.02924	1.6
165.12773	27.9
165.14137	1.8
173.13321	1.0
189.03903	2.0
191.14330	8.5
193.15909	3.0
201.38931	0.9
209.15381	100.0
210.15773	1.4
213.03964	1.5
230.86636	0.9
231.04904	2.4
298.17273	0.8
363.08920	2.1
365.10571	1.0
451.10648	0.9
457.20633	1.4
601.45947	1.1
603.21857	4.0
603.29974	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01856	4.3
55.05505	3.7
57.03441	12.7
58.11498	0.9
58.37459	0.7
61.02917	3.8
61.46954	0.8
67.05489	1.5
68.90789	0.9
68.99774	2.8
69.03089	1.4
69.03435	20.9
69.53591	6.5
70.06594	1.9
71.01334	1.4
71.04997	40.1
73.02929	5.0
74.04073	0.8
75.04478	2.8
79.05495	1.7
81.03425	21.9
83.04987	17.5
83.34581	1.0
85.02910	100.0
87.00835	20.9
87.04473	1.0
91.03970	0.9
91.05511	1.4
95.04972	3.6
97.02300	1.4
97.02902	18.1
97.06515	1.0
98.20750	1.2
99.04459	10.9
101.06036	1.0
103.03969	5.8
103.05470	2.1
105.01203	1.3
105.01880	21.0
105.06989	1.8
107.04963	4.7
108.04466	2.0
109.02888	25.7
111.03722	1.4
111.04453	21.1
113.02379	1.3
113.06003	1.8
123.04421	2.6
125.02341	1.6
126.05553	1.6
127.03928	37.5
129.01813	3.3
129.05492	21.4
135.04431	2.2
135.08087	2.8
137.05928	1.3
139.03902	3.8
145.04967	10.7
146.08105	2.4
147.02859	3.1
147.06526	6.1
151.03902	3.4
153.05423	1.9
154.06277	11.8
159.02959	5.1
163.07533	10.1
164.09215	3.8
165.05495	1.7
167.07091	1.1
169.04955	1.5
171.06516	2.3
173.04480	1.5
181.04947	3.0
189.03929	7.1
191.07097	2.5
193.04997	1.8
195.06500	2.7
195.10179	24.1
209.07982	1.2
213.03958	6.1
213.07489	2.0
219.06485	1.4
231.05016	8.5
231.08614	2.3
233.06393	1.2
237.07593	9.3
248.07625	2.1
249.06093	3.0
255.08598	6.8
266.08624	1.7
273.06146	2.3
303.12064	1.0
315.10703	2.9
341.08691	4.3
359.09720	4.1
369.63617	1.0
377.10867	1.4
542.13416	1.1
587.24023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52475	1.0
52.60885	1.0
53.03946	2.1
54.16768	1.3
55.01865	2.5
55.97146	1.0
57.03432	3.2
61.02930	3.0
69.03443	7.6
69.39374	7.5
70.06596	2.9
73.02915	1.1
78.04736	1.9
79.05502	5.7
81.03423	3.3
84.08140	2.5
85.02908	18.6
86.05644	1.2
86.09713	3.2
91.05487	4.5
93.07082	1.4
95.04994	2.4
97.02898	7.8
103.05473	4.0
105.07037	10.5
106.04167	1.3
107.04960	12.1
109.02872	3.6
115.05473	4.3
116.06239	1.8
117.07011	1.9
118.04137	1.5
119.08589	2.7
121.06565	1.4
122.05367	1.2
123.04446	6.1
124.05212	3.8
127.03933	3.2
128.06227	5.3
128.53484	1.2
129.07036	7.6
131.04916	4.6
132.05704	4.8
133.06487	7.8
137.05963	3.2
140.04713	2.2
141.07010	1.5
143.04926	1.6
145.06450	2.0
147.08061	4.5
151.03976	1.2
152.04672	3.3
153.05466	5.6
155.04892	1.5
155.07033	3.7
156.05675	1.5
159.08057	7.4
160.05202	3.9
161.05980	14.6
167.07053	100.0
169.06433	2.0
171.08101	1.3
172.05185	2.5
173.05948	1.4
175.07574	34.5
176.04782	1.4
177.05365	1.4
177.09055	1.6
178.07736	1.9
179.07082	2.0
181.08722	1.6
183.08115	1.4
187.07561	27.2
189.06917	1.3
189.09148	5.1
190.07826	2.6
191.07054	11.1
191.08540	2.0
192.07733	1.4
193.07159	1.3
193.08586	7.7
193.10094	1.2
196.58189	1.3
199.07578	15.5
201.09114	3.9
202.07889	1.9
203.08566	4.0
204.09438	1.6
205.06570	2.8
206.07344	1.6
207.08101	1.9
209.08131	2.3
215.08659	2.1
217.08496	2.7
218.07327	3.8
219.07986	3.0
220.08798	2.4
221.09674	3.7
231.08060	4.0
232.08867	2.4
233.09586	5.2
234.06764	3.4
235.07657	6.5
241.10841	3.9
243.08145	1.5
245.06035	1.9
246.06741	4.2
247.07530	3.7
248.08449	2.7
249.09201	7.7
250.06146	1.4
250.09883	1.6
251.07043	3.7
259.07489	1.7
260.08279	4.1
261.09189	7.7
262.09860	1.4
263.07043	4.9
263.10718	2.6
265.08551	3.1
266.09384	1.6
267.12320	4.8
273.08960	1.9
274.06232	2.4
275.07166	1.9
276.07785	2.2
277.08658	8.3
278.09500	3.6
279.06631	1.7
279.10031	2.2
281.11716	10.8
283.09683	2.0
288.07703	1.7
289.08578	7.9
290.09485	3.3
291.06458	3.1
291.10092	3.3
292.07501	1.6
292.10818	1.5
293.08102	3.2
293.11865	3.6
294.08978	2.2
295.09561	3.3
297.11218	1.6
305.08041	3.6
306.08942	6.4
307.09622	4.5
309.11282	15.5
311.09317	2.3
320.10489	2.6
321.11249	19.5
323.09210	4.0
323.12915	1.3
325.10818	1.9
325.14322	2.9
326.11502	15.9
335.12595	1.6
337.10663	5.3
338.11588	8.4
339.12326	5.4
339.34146	1.4
340.13080	21.1
341.13846	52.9
351.12311	2.0
352.13068	16.8
353.13834	23.8
355.15305	1.7
383.14685	1.6
393.82214	1.3
415.17508	7.7
427.17630	5.0
572.13489	1.4
595.49573	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2556
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05493	1.5
67.05502	2.0
69.28417	2.7
69.28836	2.8
79.05499	1.5
81.07047	1.7
91.05495	2.2
93.07042	1.3
95.08604	1.8
105.07047	2.7
107.08572	1.0
109.06566	0.8
119.08593	2.0
131.08586	1.0
133.10150	1.0
135.11731	1.1
145.10196	1.0
147.11703	1.0
210.04623	0.6
219.17493	1.3
225.10553	0.7
241.19669	0.7
275.20178	1.2
352.13065	0.6
374.15137	0.9
375.16138	0.9
376.17285	0.6
379.28375	1.7
380.28595	0.7
387.16324	0.8
388.17044	2.2
389.17639	4.7
390.18356	2.1
391.19272	1.2
402.14282	1.3
402.18933	0.8
403.19504	6.5
404.20032	2.2
405.20853	2.6
415.19766	0.9
416.16232	1.8
417.17139	5.1
417.21185	3.1
418.17084	1.1
418.22000	1.4
419.22519	7.5
420.22906	0.8
430.17984	1.8
431.18356	9.6
432.19366	3.5
433.20203	3.4
444.19833	1.0
445.20273	9.3
446.21109	7.8
447.21848	12.9
459.18317	3.5
460.18167	0.9
461.19794	2.0
463.25397	1.3
473.19232	1.6
474.20444	12.7
475.21133	13.6
476.22006	1.3
477.23181	0.8
487.21082	3.3
488.21970	1.2
490.23694	2.7
491.20816	2.0
491.24942	0.7
501.22839	1.9
503.24353	0.9
505.22275	0.9
519.24109	13.1
532.21088	1.1
547.23431	76.9
548.23462	3.5
561.24640	0.7
579.26074	5.3
580.26416	0.8
589.24164	1.7
607.25543	100.0
607.42505	2.3
608.25775	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	607.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.8
55.01867	5.4
55.05517	20.9
57.03442	7.1
57.07079	2.0
64.24155	1.7
65.03948	3.7
65.07331	1.4
67.05508	72.6
69.03432	17.7
69.07074	23.3
69.34685	10.2
71.04997	5.9
73.02899	1.9
78.29688	1.4
79.05500	48.3
81.03426	72.9
81.07063	100.0
83.01316	1.5
83.04980	14.7
83.08629	14.3
85.02910	11.0
85.06562	4.8
91.05487	41.0
93.07051	61.4
94.07347	2.0
95.04980	12.4
95.08616	26.5
97.02893	12.7
97.06531	10.2
97.10198	2.2
98.21564	3.2
99.04463	5.6
99.08100	3.6
103.05496	2.4
105.07030	22.9
107.04978	6.4
107.08613	33.2
109.02898	16.4
109.06527	6.0
109.10175	4.1
111.04445	9.6
111.08070	6.1
113.06005	2.2
115.05522	1.7
115.07578	1.6
117.07020	14.3
119.08607	12.4
121.06527	4.6
121.10145	15.2
123.08092	1.8
123.11727	8.3
127.03930	7.8
128.06183	1.4
129.05522	2.0
129.07011	5.0
131.04910	1.9
131.08582	15.4
133.06494	2.7
133.10135	13.9
135.08078	4.9
135.11719	10.9
141.06978	2.1
143.08630	3.2
145.06502	2.2
145.10040	2.2
147.08092	2.3
147.11694	12.5
149.09602	2.3
149.13280	26.5
151.11243	2.0
154.02466	1.5
155.08594	3.2
157.10193	3.3
159.11714	15.5
161.13298	2.7
165.12775	4.3
167.14198	1.6
173.13223	1.6
175.11229	1.6
177.12785	11.1
183.06619	3.2
193.12354	1.8
195.13800	21.6
213.14937	4.5
219.13841	1.7
229.14357	2.5
249.15025	1.8
251.16444	1.8
260.32095	1.8
267.16031	3.2
269.17517	12.1
275.05490	1.5
275.16501	2.6
285.14621	2.4
303.15955	4.0
311.18387	1.5
321.17001	6.1
339.17996	11.7
377.19775	3.7
395.20743	13.2
406.71680	1.8
411.82004	1.8
463.30627	13.3
529.31543	2.0
571.32605	1.9
589.33698	5.7
607.34814	85.1
608.34528	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00082	1.2
53.03950	12.6
55.01875	6.6
55.02093	1.3
55.05511	26.0
57.03447	8.0
57.07065	2.4
65.03942	4.1
67.05508	69.9
69.03428	19.1
69.07070	23.6
71.01356	3.1
71.04998	8.4
71.51446	2.5
79.05495	52.2
81.03423	76.9
81.07059	98.3
83.04983	19.6
83.08622	15.8
85.02898	7.7
85.06559	5.5
91.04910	2.3
91.05483	46.4
93.07047	66.8
95.04972	11.1
95.08613	31.2
97.02895	14.3
97.06528	12.8
97.10175	2.2
99.04459	6.4
99.08089	1.8
103.05494	2.2
105.04526	3.9
105.07037	24.2
107.04969	5.9
107.08607	30.2
109.02879	13.8
109.06527	6.5
109.10159	6.3
111.04465	12.0
111.08096	8.9
115.05437	2.5
117.07010	17.3
119.08587	14.2
121.06523	3.6
121.10151	18.2
123.04444	2.5
123.08058	2.7
123.11739	8.4
125.09632	1.5
127.03930	14.2
128.06302	1.8
129.07011	6.2
131.04918	2.6
131.08583	18.7
133.06509	2.5
133.10143	14.4
133.19832	1.4
135.08089	3.6
135.11681	10.0
141.06982	2.5
143.08598	5.1
145.06516	4.5
145.10118	6.7
147.04463	1.8
147.11665	12.0
148.12056	1.3
149.09648	3.2
149.13261	25.1
151.11247	2.3
153.07001	1.7
155.08592	2.4
157.06509	2.9
157.10193	5.2
159.08075	2.8
159.11717	17.2
159.59886	1.3
161.06232	1.5
161.13351	1.8
163.07634	1.5
165.12767	5.3
169.06604	1.3
169.10133	1.4
171.11754	2.0
173.04553	3.7
173.13292	2.0
175.11179	3.1
177.12781	7.9
179.08615	1.4
179.14305	1.6
183.06609	2.9
183.11826	1.5
183.13873	1.7
187.14919	1.6
193.12231	1.8
195.11961	2.6
195.13779	22.9
198.06845	2.1
213.14919	3.5
215.14253	1.8
227.07085	1.7
233.15372	2.3
233.60577	1.3
251.16438	1.4
253.18091	1.3
255.79163	1.4
261.15030	2.6
267.15958	4.6
269.17490	13.2
275.16602	3.3
285.14615	1.8
299.24979	1.4
303.15945	4.7
307.84415	1.4
321.17108	5.7
339.18054	12.8
353.25113	2.0
371.25772	2.0
377.19482	3.3
389.26871	1.9
395.20642	11.6
411.19406	1.5
425.36267	1.4
445.29678	10.3
463.30576	13.5
474.98535	1.4
479.30185	1.9
529.31665	1.7
533.31055	1.7
571.32184	2.9
589.33795	6.0
607.34796	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04379	0.7
53.03934	1.2
55.01868	5.2
55.05514	6.5
56.84925	0.8
57.03427	1.4
57.06830	0.9
57.07076	12.3
61.81772	0.8
65.03960	0.7
67.05506	12.6
69.07071	6.8
71.08626	7.7
71.12276	1.1
79.05500	7.8
81.07058	35.6
83.04980	2.9
83.08605	4.6
85.06534	1.0
85.10190	4.6
91.05494	4.1
93.07043	6.3
95.08613	14.1
97.06530	1.2
97.10163	1.4
105.07021	5.2
107.08599	8.3
109.06528	11.1
109.10158	8.1
111.04443	15.4
111.08121	0.9
117.07005	0.9
119.08570	7.3
121.10145	7.3
123.08072	2.3
123.11683	4.0
125.05969	4.1
131.08549	3.1
133.10123	6.2
135.08058	2.8
135.11708	5.2
137.05978	100.0
137.13235	2.1
138.06306	1.0
143.08592	1.3
145.10165	3.3
147.08058	2.1
147.11697	8.5
149.09660	4.0
149.13258	2.4
151.07544	2.5
151.11295	1.4
157.10123	3.6
159.11722	2.7
161.09618	5.5
161.13225	4.5
163.11223	4.1
163.14766	1.1
165.09146	2.9
165.12834	1.3
167.10667	0.8
169.10130	0.8
171.11658	3.3
173.13295	2.2
175.11183	5.4
175.14822	1.7
177.12700	1.0
178.79315	0.8
179.10678	1.7
181.12206	1.4
185.13266	1.9
189.12723	1.4
193.12270	1.2
197.13391	1.2
199.14828	0.9
203.18008	6.7
205.19504	1.0
213.16414	3.0
221.18962	3.4
227.17882	0.8
231.17462	10.7
239.23801	1.1
241.15910	1.5
249.18526	13.3
277.17993	76.5
278.18292	1.0
295.19034	10.7
313.27359	32.5
327.07693	0.8
351.21613	10.0
359.14072	0.8
495.26703	1.0
503.59079	0.8
547.26624	0.8
589.44562	15.6
603.05634	0.8
607.29456	1.4
607.53772	5.7
633.23511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.89742	0.1
58.33528	0.1
59.30191	0.1
66.59541	0.1
69.17783	0.6
69.18214	0.6
70.06585	0.1
71.04993	0.6
72.15108	0.1
85.02907	1.2
87.20407	0.1
97.02914	0.1
107.04924	0.2
108.18475	0.1
129.05519	0.2
140.38387	0.1
149.05920	0.1
153.01830	0.7
229.04874	0.4
257.04404	0.2
258.05252	14.9
269.04657	0.2
285.07730	0.4
286.04724	35.0
287.05170	0.5
301.07065	100.0
302.07401	1.4
463.12210	0.4
609.17517	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2712
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
51.84378	0.5
53.03950	1.6
55.01867	1.5
55.05508	6.1
57.03432	1.4
65.03946	1.2
67.05508	18.1
69.03460	0.7
69.06722	0.8
69.07067	6.9
69.46494	1.6
69.46918	2.5
71.04993	0.7
72.15522	0.6
79.05495	16.2
81.07059	17.9
83.05004	1.4
83.08625	2.6
85.06547	0.9
91.05480	13.3
91.06020	1.0
93.07047	17.5
95.05000	2.0
95.08608	12.4
97.06549	2.1
97.10183	1.4
99.08110	0.9
100.23208	0.5
103.05461	0.8
105.07035	12.6
107.04968	1.2
107.08600	9.9
109.06538	1.6
109.10162	3.6
111.08094	1.6
115.05435	1.0
117.07025	6.9
119.08578	8.1
121.06537	0.5
121.10142	7.0
123.08071	0.6
123.11706	1.1
125.09650	0.9
128.06248	1.2
129.06985	3.5
131.08569	9.2
133.10133	7.8
135.08055	1.1
135.11707	3.9
135.98962	0.5
137.09712	0.7
141.06996	0.8
142.07768	1.2
143.08575	3.8
145.10118	11.7
147.11716	5.5
149.09665	2.1
149.13261	1.6
154.07663	0.7
155.08575	2.6
157.10164	3.0
158.49673	0.5
159.11699	6.8
161.13293	2.4
163.11223	1.6
167.08612	0.9
169.10124	3.0
171.11705	3.7
173.12001	0.7
173.13225	3.3
175.14784	0.7
181.10153	1.2
183.11700	2.8
185.13304	2.3
187.14848	1.0
189.12874	0.6
193.47951	0.6
195.11740	0.8
197.13286	2.4
199.14877	0.9
200.51884	0.6
209.13261	1.4
211.14830	1.6
213.16382	0.6
219.17496	1.2
223.12436	0.8
223.14830	0.8
225.16418	0.7
227.18060	0.6
229.19559	1.4
236.13402	0.6
237.14040	0.8
237.16385	0.8
239.17967	2.3
247.20885	0.7
249.16635	0.7
249.40079	0.5
257.19052	6.2
261.22284	0.6
275.20026	9.9
293.21301	0.9
313.21890	0.5
325.24991	0.5
331.22769	1.7
333.24445	0.6
335.25809	3.0
375.16370	0.6
376.16751	0.6
377.17838	0.9
378.18823	0.8
388.17294	0.6
389.18677	1.5
390.18555	1.2
391.18967	2.7
392.20035	1.4
393.20828	0.6
403.19446	1.1
404.20764	0.9
405.20920	3.1
406.21420	1.7
407.22256	3.5
413.17642	0.7
414.18414	1.4
415.19113	3.1
417.21353	0.7
419.18167	1.0
419.22830	1.1
420.23114	1.0
421.23911	4.4
422.24780	0.8
427.19150	0.8
429.21094	3.3
430.21924	1.9
431.17966	1.2
432.19543	1.2
433.15521	0.9
433.20255	2.1
442.21255	1.0
444.23203	1.6
445.20215	1.2
447.17566	3.1
449.23291	1.1
457.24622	2.9
458.25140	0.7
459.21899	1.9
460.23114	1.1
461.18982	4.9
462.20508	2.0
463.21252	1.1
470.21536	0.7
472.22668	0.7
474.20444	1.1
475.21021	7.4
476.22025	7.1
477.22589	5.2
478.23782	1.0
485.23752	8.7
486.20343	3.5
487.20273	0.7
487.26007	0.7
488.22217	1.1
489.22974	4.7
490.20587	0.6
493.22314	1.1
494.26819	0.8
497.23499	0.9
499.21289	2.1
500.22137	1.7
502.23929	1.3
503.24527	6.0
504.24533	0.5
507.24017	1.5
513.23029	1.6
515.24426	8.6
517.22827	1.1
517.40173	0.9
521.25830	4.2
531.23987	15.2
535.23462	1.4
535.41528	0.8
541.22485	1.1
549.24939	2.3
550.25787	4.1
559.23383	8.2
577.24762	1.9
591.26038	33.7
592.26337	0.9
609.27094	100.0
609.44678	25.6
610.27313	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	1.4
51.02372	2.1
51.48913	1.0
52.23566	1.0
53.03950	12.0
55.01877	11.4
55.05268	2.2
55.05516	30.5
57.03443	8.9
57.07072	2.9
61.47091	1.2
65.03942	6.7
67.05511	85.4
69.03417	2.2
69.07072	31.2
70.95824	2.0
70.96166	2.6
71.04996	3.9
71.10714	1.2
72.76764	1.1
73.06573	1.1
74.26070	1.4
77.03916	2.8
79.05500	86.7
81.03430	4.7
81.07063	93.8
83.05010	7.3
83.08634	13.1
85.06542	4.1
90.63042	1.4
91.05485	87.6
93.07050	83.1
95.01352	5.9
95.04987	12.5
95.08616	60.8
97.06532	14.2
97.10180	4.7
99.04477	2.5
99.08111	1.7
103.05486	3.8
105.04525	4.5
105.07042	77.4
107.04969	12.9
107.07877	2.4
107.08597	40.9
109.06522	13.8
109.10162	22.9
109.10842	1.9
111.08091	4.4
115.05455	3.4
116.06256	1.7
117.07027	29.1
119.08595	58.0
121.06539	3.3
121.10160	31.7
123.04532	1.7
123.08086	5.5
123.11732	5.6
125.09632	1.5
128.06250	2.9
129.07002	9.8
129.37057	1.2
130.07828	3.0
131.08583	39.9
133.06580	1.8
133.10143	41.9
133.11099	2.6
135.08090	4.2
135.11711	17.9
137.09613	6.5
139.11162	1.9
141.07025	5.6
143.08546	12.1
145.06514	1.5
145.10126	35.3
147.08138	2.0
147.11702	21.9
149.09634	10.3
149.13275	9.1
155.08586	5.9
156.09277	1.8
157.10120	10.1
159.11703	21.7
161.09637	1.3
161.13286	7.5
163.11206	6.0
163.14862	4.1
165.09134	1.8
165.12759	1.5
167.08629	2.7
168.09479	1.4
169.10086	6.2
171.11696	8.6
173.13272	11.0
175.14815	2.8
177.12799	3.2
179.14343	9.4
181.10176	2.9
183.11723	5.8
185.13225	7.2
187.11281	1.8
187.14828	4.3
189.16350	1.6
191.14319	2.1
195.11765	3.3
195.13741	1.2
197.13249	6.9
198.46654	1.5
199.14874	3.2
201.16487	4.8
203.14375	2.2
209.13362	2.7
211.14879	4.4
213.16463	2.9
215.18059	1.7
219.17464	58.0
221.13292	1.5
223.14847	1.3
225.16513	2.1
229.19574	3.9
239.18105	4.5
247.20602	3.6
257.18982	13.6
259.20657	2.7
261.22235	3.8
275.20093	72.0
293.21185	5.1
331.22794	5.2
335.25858	6.7
349.23935	3.8
517.40692	3.0
535.41937	2.2
591.44507	2.4
609.27197	4.0
609.45190	100.0
609.53009	4.2
610.45203	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	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00016	0.9
53.03939	2.4
55.01870	2.7
55.05513	15.5
57.03436	3.8
57.07076	2.4
57.63414	0.7
65.03940	1.8
67.05507	28.0
69.07070	12.7
71.04973	2.2
76.49740	0.8
79.05500	21.4
81.07061	30.3
83.04954	1.5
83.08619	8.4
85.06552	1.3
87.68179	0.8
91.05475	18.9
93.07050	23.3
95.04980	2.1
95.08614	24.9
97.06553	3.0
97.10184	4.3
105.04502	1.1
105.07036	18.7
107.04996	1.0
107.08614	12.9
109.10158	12.5
111.08037	2.0
115.05453	2.7
116.06259	1.3
117.07017	11.3
118.90331	0.9
119.08590	17.1
121.06478	1.1
121.10147	10.2
123.11711	2.1
125.09663	2.2
128.06227	3.4
129.07022	10.7
130.07875	1.1
131.08574	15.8
133.10130	12.7
135.11720	6.0
137.13255	1.5
139.11153	1.0
141.06990	4.5
142.07794	3.4
143.08577	14.0
145.10121	18.8
145.11148	1.4
147.11702	6.9
149.09598	1.7
149.13303	2.8
153.06937	1.5
154.07758	1.4
155.08575	12.2
156.09328	1.4
157.10135	14.6
157.11328	1.2
157.65468	1.0
159.11705	12.8
161.13327	3.2
161.71452	0.9
163.11194	1.3
163.14908	1.7
165.07050	1.8
167.08618	5.0
168.09355	1.9
169.10129	14.6
170.10966	1.8
171.11691	12.9
173.13274	6.9
175.14827	2.4
179.08633	2.2
181.10147	9.0
182.10909	1.8
183.11716	14.8
185.13293	8.9
187.14879	4.4
189.16466	1.1
193.10172	3.1
195.11684	9.7
196.12509	1.1
197.13268	12.7
199.14883	7.0
201.16441	1.8
207.11783	3.3
209.13234	7.1
211.14845	8.4
213.16484	4.4
221.13260	4.4
223.14847	7.1
225.16368	4.6
227.18010	2.6
229.15858	1.1
229.59752	1.0
235.14850	1.5
237.16431	4.0
239.18018	5.1
241.19603	2.1
249.16399	2.0
251.18007	2.6
253.19537	1.7
257.19077	5.0
257.21341	0.9
265.19547	2.0
275.20190	5.5
279.21182	1.2
294.86945	1.1
297.22131	1.1
307.20349	1.0
311.23843	1.4
313.21631	1.9
331.22879	2.0
335.25916	3.7
339.22946	1.1
341.24670	1.4
349.25098	1.2
351.26779	2.5
353.25174	1.1
363.26685	1.2
365.28607	1.6
366.85547	0.9
379.30243	1.5
391.30246	1.0
393.31625	1.9
407.29303	1.0
409.30670	1.1
421.30997	1.5
433.31131	1.4
439.32629	1.0
447.32721	1.2
449.33920	1.5
461.33966	1.3
468.37878	0.9
475.35019	1.2
482.32956	1.0
499.39310	2.4
508.46268	0.9
517.40515	13.3
524.18994	0.9
535.41370	7.2
553.43188	1.0
573.43188	2.5
591.44067	13.8
609.27142	4.2
609.45197	100.0
610.45459	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.4
65.68725	1.5
67.05505	8.1
69.07055	4.5
69.20148	3.2
69.20560	8.7
70.21453	1.1
73.04350	2.9
73.04759	60.1
75.02665	2.1
77.03948	1.4
79.05506	9.5
79.05889	1.6
81.07068	9.4
83.08633	2.3
91.05818	73.3
93.03677	1.2
93.07074	11.7
95.04956	1.8
95.08617	8.1
96.21838	1.4
97.06548	1.3
105.07031	7.0
107.08578	5.3
107.09222	1.2
108.08933	1.3
109.10138	3.6
114.07367	8.7
117.07008	2.8
119.08564	5.1
121.10150	4.7
131.08527	3.3
133.10121	3.9
135.11726	2.1
142.34766	1.2
143.08568	1.3
145.10165	2.8
147.11729	2.2
149.04500	8.0
149.09596	1.1
152.78560	1.3
159.11740	4.4
161.13249	2.3
163.14819	1.3
167.05554	24.5
185.13295	1.3
187.14859	1.2
221.08440	2.4
225.04305	5.6
239.09518	34.3
266.99893	8.2
268.97876	15.1
275.20035	4.2
281.05252	2.9
283.03091	8.5
285.01007	33.3
299.06192	32.3
303.02057	2.0
344.97589	7.8
355.07016	100.0
356.07059	1.9
371.10196	2.9
373.07870	6.0
400.98380	2.5
402.96658	6.0
415.03705	6.1
418.99399	9.0
489.05847	1.6
609.44843	3.6
609.53290	4.0
610.18640	1.3
610.45239	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	610.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
57.03439	1.6
61.02910	0.2
67.05499	0.4
69.03407	0.5
69.14920	2.8
70.06588	0.5
71.01341	0.3
71.05000	6.3
73.02904	0.4
75.04475	0.8
81.03415	0.4
83.04968	1.0
85.02912	10.1
86.03168	0.2
86.09707	0.3
93.07052	0.4
95.81522	0.3
97.01120	0.3
97.02895	0.6
98.58120	0.3
99.04455	0.4
111.04472	0.3
127.03936	0.5
129.05498	2.3
137.06017	0.3
147.04393	0.8
147.06479	0.5
152.06223	0.4
153.07014	0.8
161.05930	0.4
181.06477	2.0
182.07237	0.6
183.08124	0.3
195.08098	0.6
197.06046	0.4
198.06747	1.3
199.07561	0.7
208.05389	0.4
209.06030	1.3
210.06693	1.2
212.04668	2.3
213.05592	0.6
213.09134	5.2
223.07576	0.6
225.05426	0.5
225.09135	0.5
226.06274	2.3
227.07050	5.5
228.07805	3.8
229.05115	0.4
237.05481	0.6
238.06238	0.9
240.04201	2.2
241.04948	0.5
241.08609	10.0
243.06572	0.7
244.07320	4.6
254.05746	0.9
255.06496	3.1
256.07333	3.0
259.09683	18.1
269.08084	7.3
269.17484	0.2
272.06723	0.5
287.09155	32.0
288.09677	0.3
302.11499	100.0
303.11761	1.4
327.88638	0.2
447.21359	0.4
448.21793	1.0
464.16797	1.7
589.72046	0.3
610.24805	0.3
610.34943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	22149-35-5
Peak:m/z	Relative Intensity
53.03952	0.6
54.64708	0.6
55.01840	0.7
55.91171	0.6
57.03429	1.1
61.02924	1.8
64.04086	0.6
69.03436	2.9
69.96976	1.5
69.97370	1.3
71.04993	3.4
73.02902	0.9
76.33587	0.6
81.03417	1.3
85.02436	1.0
85.02911	14.4
97.02914	3.8
99.04443	0.7
109.02877	1.4
111.00799	0.9
121.02842	3.2
127.03907	2.8
129.05487	1.1
137.02344	1.3
145.02863	0.7
145.04974	3.3
153.01840	4.4
154.68716	0.7
165.01868	1.9
177.05455	1.0
183.02861	1.0
213.05495	1.7
229.04980	1.2
258.05200	1.4
274.04660	0.8
287.05527	100.0
288.05905	2.0
303.05005	35.1
329.06561	2.1
345.14209	0.6
353.06396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03939	0.6
53.06155	0.2
55.01863	0.3
57.03450	1.0
61.02938	1.4
67.88873	0.2
68.99789	0.6
69.03439	3.3
70.46244	0.4
71.04995	0.4
73.02908	0.5
79.05507	0.3
81.03432	1.5
83.01330	0.2
84.74766	0.2
85.02913	16.5
87.04454	0.3
91.03947	0.6
97.02898	4.1
99.04456	0.6
105.03393	0.2
107.04958	0.4
109.02895	1.9
111.00816	0.9
115.03932	0.3
121.02883	2.6
121.03784	0.3
127.03936	3.3
133.02844	0.5
137.02315	0.7
141.07011	0.3
145.02968	0.3
145.03915	0.3
145.04955	3.7
145.06284	0.3
147.04414	0.5
153.01852	4.1
157.06488	0.6
163.03891	0.3
163.06038	0.5
165.01869	1.8
171.04416	0.3
173.85417	0.2
177.05495	0.5
183.02896	0.8
185.06003	0.4
189.73209	0.2
213.05481	1.5
231.06499	0.9
240.21065	0.2
241.05075	1.0
241.07222	0.2
258.05270	1.3
259.06161	0.5
269.04541	0.2
287.05521	100.0
288.05777	1.8
299.05719	0.4
329.06512	0.6
353.06445	0.3
383.07822	0.2
584.04559	0.2
636.67413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03948	0.3
55.01871	0.5
57.03435	1.8
61.02923	0.8
68.99815	0.3
69.03427	1.1
70.05630	0.6
70.06029	0.7
70.66086	0.3
71.04998	11.0
73.02924	0.7
75.04478	0.6
81.03413	0.6
83.05005	0.4
85.02908	15.1
87.04493	0.3
90.63827	0.3
91.03923	0.3
97.02885	1.9
109.02877	0.8
111.00802	0.7
111.04467	0.5
121.02851	0.7
127.03923	1.1
129.05487	3.5
137.02347	2.8
145.02881	0.5
145.04961	1.0
147.06548	1.0
149.02325	0.6
153.01814	3.1
161.06152	0.3
163.04010	0.3
165.01833	1.3
173.05875	0.3
177.05507	0.6
183.02950	0.4
201.05472	1.2
208.44539	0.3
219.02791	0.2
219.06479	0.2
229.04973	3.4
239.66026	0.2
247.06004	0.5
257.04501	2.2
274.04800	0.5
275.05420	0.3
285.04022	1.2
287.05524	8.4
303.05002	100.0
304.05380	2.0
345.06131	0.4
465.10318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15042	1.3
50.85694	1.4
57.03433	3.2
65.03946	1.4
69.97232	2.6
69.97631	5.0
81.03419	3.4
85.02909	7.5
93.03422	2.5
93.46873	1.3
97.02913	2.4
102.66107	1.2
107.04935	2.1
109.02864	2.3
121.02883	2.7
135.04405	9.9
137.01378	2.2
137.02359	32.5
137.03377	2.2
146.79181	1.5
147.04373	1.9
160.73827	1.4
161.02310	5.8
163.03853	2.7
165.01826	2.0
172.24423	1.7
173.02344	2.9
176.01106	2.6
177.01811	6.9
177.05476	1.8
179.03384	4.2
187.03899	2.9
189.01862	11.3
190.02646	2.3
191.03372	7.4
195.02911	5.2
199.03923	1.7
201.01657	1.7
201.05573	2.5
203.03397	13.5
205.19371	1.5
207.02908	7.5
211.03990	1.5
213.05403	3.1
215.03394	3.0
217.04945	5.6
219.02925	4.1
229.04980	3.2
231.02762	2.6
233.04419	2.7
239.03531	1.8
243.02733	2.1
255.02936	3.2
255.06453	1.8
257.04514	4.6
283.05957	3.9
284.06778	4.5
285.03955	3.0
287.05527	59.7
295.05969	8.4
296.06708	3.4
297.07547	6.9
299.05441	6.5
300.06381	2.3
303.05042	1.8
309.07532	3.9
310.04688	24.8
311.05515	80.9
312.06326	9.1
313.07043	9.4
321.07651	2.9
323.05533	56.7
324.06296	18.4
325.07080	16.0
328.05508	1.5
329.06580	5.7
333.07468	2.0
335.05490	6.8
335.09201	2.7
336.06223	4.1
337.07040	27.2
338.07718	10.2
339.04953	3.3
339.08640	3.9
341.06586	99.8
349.06955	9.5
351.04895	2.2
351.08624	13.5
352.05756	3.9
353.06573	66.7
355.08142	2.3
361.07034	2.9
363.08618	13.3
365.06580	32.0
367.08185	21.1
371.07590	21.8
377.06494	20.3
377.10406	3.0
379.08157	7.7
381.09854	9.9
383.07611	3.9
389.06561	6.4
390.07275	3.4
391.08112	11.7
395.07611	55.1
401.06470	5.1
403.08240	3.2
405.10046	2.9
407.07614	28.7
417.09766	2.8
419.07642	26.2
425.03165	2.7
425.08679	46.2
431.08041	2.8
433.09296	2.6
437.08609	25.5
443.09845	44.3
449.09656	7.0
455.09729	32.5
461.10086	7.6
473.10828	100.0
474.11121	1.7
479.09662	5.4
485.08313	2.1
491.11661	18.1
497.10864	29.3
503.09964	4.2
509.10519	5.4
515.11804	16.7
521.10712	4.8
527.11829	25.7
539.11896	25.0
545.12878	8.1
553.07806	1.7
557.12866	26.3
575.14014	24.9
593.14789	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	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03930	0.4
57.03420	0.4
61.02911	0.7
65.87275	0.2
67.06584	0.2
68.99791	0.5
69.03435	2.1
70.75216	0.4
71.04974	0.4
73.02921	0.2
81.03433	0.9
85.02911	5.4
87.04469	0.3
91.03961	0.4
97.02384	0.2
97.02909	1.7
99.04434	0.2
107.04971	0.4
109.02876	0.7
111.00806	0.6
121.02879	2.6
127.03902	1.2
133.02872	0.4
135.04344	0.3
136.98480	0.2
137.02397	0.9
145.04953	0.8
147.04352	0.4
153.01822	2.8
157.06500	0.4
165.01852	1.4
171.04475	0.2
183.02911	0.6
185.05959	0.4
213.05435	1.3
226.76497	0.2
231.06447	0.5
241.04799	0.8
258.05289	0.8
259.05957	0.3
269.04495	0.2
287.05505	100.0
288.05804	1.8
299.05518	0.3
303.04907	1.0
311.05472	0.3
325.76331	0.2
329.06720	0.3
341.06445	0.2
353.06433	0.2
395.07462	0.3
449.10861	5.4
479.19147	0.2
497.09821	0.2
523.65302	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Rhodiosin
Peak:m/z	Relative Intensity
50.76215	0.4
53.03947	0.7
54.87487	0.4
55.01866	0.5
57.03423	1.7
60.69081	0.5
61.02909	1.4
61.54499	0.4
68.99812	0.5
69.03430	3.2
71.04997	12.5
71.24276	0.8
71.24608	0.4
73.02895	0.8
73.06640	0.4
81.03409	1.1
83.04952	0.5
85.02909	20.7
87.04443	0.5
91.03956	0.5
97.02915	2.4
109.02889	1.2
111.00795	0.5
121.02881	2.6
127.03896	2.3
129.05493	4.4
131.04924	0.5
135.10756	0.4
137.02348	1.9
142.04033	0.4
145.05000	2.1
147.06494	0.7
153.01822	4.1
165.01874	1.6
169.01349	1.1
177.05518	0.9
182.74077	0.4
183.02887	0.9
201.05536	1.3
213.05559	1.1
229.04970	1.9
257.04388	1.4
258.05252	0.5
259.05917	0.5
262.51712	0.5
274.04776	0.6
287.05515	51.3
288.05881	0.7
303.05008	100.0
304.05411	0.8
329.06519	0.8
402.27826	0.5
415.69540	0.6
449.10818	7.5
465.10565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.4
55.01849	0.2
57.03428	0.5
57.21704	0.2
61.02934	1.0
68.99801	0.3
69.03436	1.6
71.01338	0.3
71.04991	0.5
73.02919	0.4
79.05524	0.2
81.03419	1.0
83.01306	0.2
85.02904	5.6
87.52795	0.2
91.03973	0.2
97.02897	2.0
98.20732	0.6
99.04488	0.2
105.03411	0.4
107.04960	0.5
109.02856	0.7
111.00792	0.3
119.04903	0.2
121.02865	3.0
127.03914	1.2
133.02849	0.6
135.04439	0.3
137.02354	1.6
145.04970	0.9
153.01839	3.2
157.06487	0.4
165.01805	1.5
183.02861	0.7
185.05894	0.3
189.01784	0.4
191.03398	0.2
195.02867	0.2
203.03427	0.4
207.02866	0.2
213.05452	1.4
230.72704	0.2
231.06619	0.4
241.04976	1.0
257.04373	0.2
258.05203	0.8
259.06006	0.4
287.05508	100.0
288.05670	1.1
299.05692	0.6
303.04977	1.0
310.04669	0.4
311.05533	2.2
312.06174	0.3
323.05469	1.9
324.06271	0.4
325.06927	0.4
329.06638	0.5
337.07053	0.7
338.07980	0.4
341.06580	2.8
349.06754	0.4
351.08734	0.3
353.06586	1.6
363.08389	0.4
363.60751	0.3
365.06485	1.0
367.08051	0.7
371.07706	0.6
381.09302	0.3
391.07910	0.3
395.07516	1.5
407.07675	0.7
413.08383	0.2
419.07556	0.6
425.08545	1.3
437.08606	0.7
443.09842	1.0
449.10791	4.6
455.09698	0.9
473.10858	2.3
491.12183	0.4
497.10803	0.7
515.11499	0.3
527.11798	0.6
539.11688	0.6
557.12561	0.7
575.13788	0.4
593.14563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Rhodiosin
Peak:m/z	Relative Intensity
53.03952	0.4
55.01867	0.6
55.05521	0.3
55.43927	0.3
57.03437	2.1
57.33976	0.3
59.04997	0.4
60.45913	0.3
61.02921	1.0
67.05481	0.3
68.99792	0.5
69.03434	1.8
70.04801	1.5
70.06592	1.1
71.04997	10.7
72.08142	0.3
73.02919	0.6
75.04479	0.6
81.03412	0.7
83.04963	0.7
85.02907	16.7
87.04478	0.4
95.04980	0.3
97.02896	1.3
99.04467	0.3
105.03391	0.4
107.04949	1.1
109.02894	0.6
111.04430	0.5
117.03393	0.5
120.08078	0.3
121.02863	3.6
123.00797	0.5
125.02287	0.5
127.03911	1.0
128.17752	0.3
129.05472	3.4
129.10234	0.5
131.04898	0.6
135.04431	0.6
137.02348	1.2
145.02841	0.5
145.04953	0.7
147.04399	0.4
147.06528	0.6
153.01814	1.2
159.04387	0.3
161.02293	0.3
163.03929	0.4
164.72017	0.3
169.01344	2.6
173.05948	0.4
177.05528	1.1
181.01299	0.9
182.76666	0.3
183.04448	0.5
189.01877	0.4
201.05490	0.8
203.03336	0.5
207.02910	0.6
212.84578	0.3
229.04974	0.9
247.06219	0.4
257.04443	0.9
274.04797	0.4
285.03967	1.0
286.04633	0.6
287.05518	6.8
287.08511	0.5
295.05920	0.4
297.07593	0.3
299.05618	2.1
300.06244	0.6
303.04999	100.0
304.05331	1.6
310.04849	0.5
311.05566	3.6
312.06323	0.5
313.07031	0.6
323.05548	2.1
324.06198	0.8
325.06989	1.1
329.06595	2.1
337.07056	1.2
337.46567	0.3
339.04559	0.4
339.08414	0.5
341.06613	4.1
345.05841	0.5
351.08661	0.9
353.06534	2.7
362.32388	0.3
363.08768	0.6
365.06641	1.8
367.08310	1.0
371.07822	0.7
377.06454	1.1
381.09476	0.4
383.07492	0.3
389.06592	0.3
391.08224	0.6
395.07700	2.4
407.07578	1.2
413.08713	0.8
418.06238	0.3
419.07513	0.7
425.08630	1.9
431.09729	0.5
437.08795	0.7
443.09674	1.5
449.10901	1.5
455.09747	1.0
465.10202	1.0
473.10947	3.0
491.11533	0.8
497.10580	1.5
509.11047	0.4
515.11853	0.6
527.11957	1.4
539.11810	1.0
557.12921	1.3
575.13702	1.2
593.14990	0.7
611.15790	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98345	0.4
53.03941	2.9
54.34642	0.4
55.01630	0.7
55.01871	7.1
55.05514	14.9
57.03431	2.4
57.07082	2.7
65.03950	2.7
65.15099	0.5
67.05511	34.5
68.36170	0.5
69.03416	1.3
69.07072	12.2
69.24179	2.5
69.24596	1.7
71.04974	1.4
71.08614	0.7
71.30550	0.5
77.03893	1.1
79.05499	34.8
79.29649	0.5
81.03394	0.5
81.07063	56.7
83.04628	0.4
83.04987	3.9
83.08630	6.1
85.06532	1.2
91.05480	23.2
93.07050	32.9
94.07409	0.5
95.04994	3.4
95.08613	29.2
97.06522	2.2
97.10154	2.2
99.08093	1.0
101.09655	0.9
103.05482	1.0
105.04529	1.2
105.07042	20.9
107.04936	0.7
107.08607	20.4
109.06522	12.4
109.09476	0.7
109.10169	10.3
110.26858	0.5
111.04449	16.2
111.08066	2.2
111.11729	0.6
113.06021	0.5
115.05460	1.1
117.07024	7.8
119.06050	0.6
119.08587	17.4
121.10151	16.6
123.08065	2.5
123.11713	5.4
125.06000	4.8
128.06244	1.0
129.06987	3.7
130.07802	0.7
131.08578	12.4
133.10146	15.8
135.08055	3.6
135.11710	12.2
137.05986	100.0
137.09634	1.8
137.13287	3.0
138.06380	0.5
139.07530	1.0
139.11110	0.5
141.07013	1.2
142.07777	0.9
143.08566	5.9
144.09372	0.7
145.10129	12.2
147.07961	1.2
147.11702	16.1
147.12819	1.1
149.09633	5.5
149.13251	5.9
151.07590	2.4
151.11221	1.4
151.14879	0.6
153.12801	0.7
155.07260	0.5
155.08583	1.8
157.10124	6.0
159.11700	10.2
160.08868	0.5
161.09654	7.1
161.13254	8.2
163.11168	4.1
163.14859	2.1
165.09128	2.9
165.12766	0.7
166.27045	0.4
167.10660	1.1
169.10143	2.4
171.11682	6.2
173.09657	1.0
173.13258	8.2
175.11206	5.4
175.14813	3.3
177.12746	1.3
177.16383	0.8
179.10703	2.5
183.11700	2.3
185.13243	4.0
187.14825	2.0
189.12798	1.3
189.16356	1.0
193.12253	1.4
195.11748	0.8
197.13239	2.5
199.14856	2.9
201.16364	1.4
203.14439	0.8
203.17966	6.9
205.19521	0.9
209.13237	0.7
211.14844	1.9
213.12813	0.6
213.16452	4.2
215.17949	0.9
221.19112	2.7
223.14850	1.7
225.16525	1.2
227.17952	0.5
231.17464	11.3
231.21133	1.0
239.17975	1.1
241.15849	1.3
241.19647	3.1
243.21104	1.5
249.18521	14.5
257.19058	1.8
259.20615	8.9
261.22147	4.1
275.20044	1.0
277.18021	77.1
277.21457	4.7
278.18463	1.2
279.19623	1.2
295.19113	10.7
295.22385	0.8
315.23233	1.6
317.24631	0.8
333.24323	6.0
335.25797	7.3
337.27487	1.0
356.07401	0.9
363.29007	0.5
519.42834	2.6
537.41235	0.8
541.39594	0.9
555.41571	0.7
567.44446	1.2
583.43909	1.4
593.45825	3.5
611.27936	1.5
611.45337	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01865	2.3
55.05510	16.5
57.03439	6.0
57.07072	2.2
57.91419	1.0
59.82824	0.9
65.03934	1.9
67.05506	46.7
69.07069	16.3
69.94402	1.4
69.94793	3.2
71.04999	2.5
71.08623	0.9
79.05493	37.0
81.07056	49.1
83.08620	9.5
85.06551	1.1
91.05480	32.2
93.07045	36.3
93.07636	1.8
95.04978	3.2
95.08611	39.6
97.06528	3.9
97.10162	4.0
98.21422	1.5
99.08080	1.6
103.05414	1.1
105.04533	1.8
105.07030	31.9
107.04922	1.6
107.08598	21.1
109.06512	1.4
109.10158	16.0
111.08088	1.3
115.05447	2.0
117.07018	12.0
119.08591	27.1
121.10140	20.0
123.08060	1.2
123.11710	4.6
125.09632	1.2
128.06216	2.3
129.07008	10.4
130.07881	1.1
131.08574	24.6
133.10135	23.9
135.11679	10.7
137.09608	1.7
137.13231	1.0
141.06981	2.1
142.07771	1.5
143.08574	12.7
144.09299	1.5
145.10129	23.5
147.11700	21.3
149.13260	7.3
155.08582	7.0
157.10115	13.0
158.10815	0.9
159.11702	16.5
161.13261	10.5
161.30019	1.0
163.14830	3.4
167.08572	1.4
169.10149	8.0
171.11707	13.0
173.13258	12.3
175.14792	5.9
177.12901	1.3
177.16412	1.6
181.10184	2.0
183.11690	6.5
184.12437	1.0
185.13246	9.4
187.14818	6.0
189.12834	1.0
189.16460	2.6
193.09984	1.1
195.11714	2.7
197.13264	5.1
199.14835	5.3
201.16412	2.9
203.17969	1.4
209.13359	2.6
211.14880	4.6
213.16501	4.4
215.17972	2.8
219.17427	1.2
221.13220	1.1
223.14841	1.6
225.16412	2.5
227.18037	1.7
229.19576	2.2
231.17511	1.1
231.21159	2.1
233.19145	1.1
237.16438	1.4
239.18018	2.7
241.19557	11.1
251.18002	1.0
257.19009	3.4
259.20578	20.9
261.22186	4.5
273.22162	1.0
277.21704	1.8
277.92520	1.0
281.22803	1.1
285.21988	2.0
315.23111	2.2
315.26685	1.1
333.24210	13.3
335.25800	18.3
337.27655	1.5
339.26877	1.7
367.30310	1.6
387.51419	1.1
430.26108	1.0
489.35794	1.1
503.37027	1.7
515.36945	1.3
519.41949	7.9
521.09943	1.1
529.38965	1.7
537.43622	4.5
541.39111	1.1
593.45612	8.3
593.67383	1.1
611.46704	100.0
612.46906	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	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01888	2.9
55.05516	23.9
57.03442	7.4
57.07069	3.2
65.03942	4.2
67.05508	53.5
69.07069	18.5
69.92928	6.4
71.05000	1.8
71.08634	1.2
79.05498	41.4
81.07063	52.1
83.04993	2.5
83.08627	10.7
91.05485	41.3
93.07048	46.9
95.04967	3.9
95.08614	43.2
95.09241	1.5
97.06539	3.1
97.10185	4.2
99.08070	1.9
103.05510	1.5
105.07037	37.7
107.08596	28.1
109.06567	3.4
109.10172	18.5
111.08105	2.4
115.05453	2.5
117.07018	17.5
119.08595	32.9
121.06568	1.3
121.10149	22.3
123.11732	5.0
124.99586	1.3
125.09611	1.5
128.06242	2.5
129.07018	11.7
130.07776	1.6
131.08574	29.4
133.10141	26.1
135.11694	13.3
137.13283	2.8
141.07014	3.7
143.08553	15.4
145.10138	25.3
145.80873	1.2
147.11700	21.9
149.13248	8.9
154.07680	1.2
155.08588	6.3
156.09428	2.0
157.10147	15.6
158.10980	1.2
159.11700	19.9
161.13263	14.4
163.11069	1.4
163.14853	5.1
167.08554	1.6
168.75542	1.3
169.10139	9.2
170.10938	1.4
171.11723	15.4
173.13289	16.2
175.14833	5.9
175.53752	1.2
177.16434	1.7
181.10103	2.1
183.11725	6.9
185.13297	10.7
187.14734	9.2
189.16371	3.0
195.11751	2.9
197.13226	6.9
199.14865	6.7
201.12836	1.5
201.16425	3.2
209.13330	3.1
211.14830	4.6
213.16341	2.8
215.17957	4.4
223.14766	1.5
225.16515	2.7
227.18143	1.9
231.21193	2.4
233.22562	1.4
237.16475	2.1
239.18092	2.7
241.19688	9.3
243.21078	2.5
244.17862	1.4
251.18123	1.6
257.19092	4.3
259.20609	17.6
261.22028	5.9
299.23959	1.6
315.23300	2.8
325.25473	1.5
331.22836	1.6
333.24237	12.7
335.25793	20.5
337.27774	1.3
353.28607	2.9
367.30011	1.5
391.29752	1.5
454.51474	1.2
519.41974	7.8
537.42731	3.4
541.39276	2.8
593.45728	10.8
611.46765	100.0
612.47046	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	612.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12980	0.5
61.02916	1.1
69.03435	3.9
70.06582	1.7
70.99960	1.3
71.04998	0.5
81.03414	2.0
82.13178	0.5
82.14005	0.4
84.04535	0.5
84.08112	0.9
85.02910	12.0
86.09695	1.3
87.04466	0.5
91.03925	0.7
91.05462	0.4
93.07049	0.5
95.62071	0.4
97.02912	3.2
97.03417	0.5
99.04432	1.0
105.07043	0.6
107.04903	0.8
109.02881	2.5
120.08092	0.7
127.03938	2.8
137.05956	1.5
145.02847	0.7
145.04951	2.8
152.06195	1.3
153.12781	0.5
159.07941	0.6
160.51355	0.5
163.05984	0.9
165.07001	5.9
166.07793	1.1
167.07068	2.6
167.08572	3.8
167.14233	0.4
177.05457	1.2
177.06961	0.5
178.07848	0.5
179.08516	0.8
180.08681	1.0
181.04912	0.8
181.06558	0.6
182.07257	1.9
193.06454	3.8
194.05682	0.7
194.07297	6.9
195.08018	1.4
197.09608	1.6
210.06775	4.2
214.40813	0.5
219.10158	0.8
222.06760	0.7
224.04736	0.5
225.09123	41.4
240.07759	1.5
253.08623	55.2
254.08942	0.7
256.07327	2.5
271.09662	100.0
272.10004	2.0
287.05356	0.6
313.10654	0.9
326.84485	0.6
385.12607	0.6
397.12579	0.7
433.14984	19.4
434.15424	0.6
581.12134	0.5
584.20483	0.7
595.19952	1.7
613.22778	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87038	1.3
55.01874	2.2
57.03413	1.7
63.23137	1.1
63.25221	1.3
65.03940	2.0
68.99781	5.4
69.03405	1.7
70.06573	1.6
71.35094	2.8
81.03396	1.2
83.01321	1.2
84.08147	1.6
85.02905	6.1
91.01247	1.2
91.05441	1.6
93.03397	1.7
95.04959	2.0
97.02877	4.4
101.36731	1.3
104.56114	1.5
107.04961	6.4
109.02882	2.0
111.04433	2.8
119.04964	3.3
120.08096	1.4
121.02879	100.0
121.03874	3.0
123.04430	3.5
129.06966	1.8
133.06499	1.8
135.04430	3.9
139.03909	3.7
147.04399	4.4
151.03929	3.0
153.01845	2.5
159.04366	1.6
161.05962	2.8
163.03925	18.9
165.01880	2.9
173.06029	2.2
175.03897	3.1
177.01822	4.7
177.05513	2.4
181.04941	3.6
187.03943	3.5
189.01855	4.1
189.05505	3.0
191.03439	3.1
193.04855	1.8
195.02892	3.7
199.03972	1.6
201.05533	2.3
203.03394	3.0
205.04947	5.8
207.02925	8.5
213.05412	1.7
215.03358	2.7
217.05038	6.2
219.02826	7.7
220.46223	1.2
225.03947	1.5
225.09715	1.5
229.04929	5.8
231.02892	7.5
233.04445	3.1
235.05913	1.6
237.03944	3.0
241.04950	1.9
243.02849	5.0
243.06555	2.4
245.04474	2.4
247.06064	4.4
249.03963	3.2
255.02785	1.8
257.04428	3.0
259.06015	4.1
261.03925	11.0
271.06006	3.9
273.03809	6.1
283.06009	2.3
285.03955	8.8
287.05457	5.5
288.05798	2.4
289.06238	4.3
291.04913	4.7
295.05920	6.4
299.05429	2.3
301.07068	2.1
303.05042	4.0
307.05850	2.5
311.05377	1.6
313.07059	3.1
321.05978	1.6
325.07004	6.4
327.04929	5.0
331.08557	1.6
337.06952	5.4
339.07401	6.6
341.06879	1.3
343.07794	2.0
345.06021	3.9
349.07092	4.0
351.08484	1.6
355.07822	2.8
363.07031	4.5
367.07828	2.1
375.07141	3.0
379.07822	7.7
387.06949	2.6
391.07947	3.8
393.08136	3.5
405.08011	2.3
409.09152	4.8
421.09378	3.1
423.09131	4.5
427.10095	5.8
433.09436	2.7
439.09671	1.8
440.39069	1.5
441.10239	8.2
445.09726	1.9
457.11392	11.6
463.10165	2.3
475.11740	2.7
481.11014	3.0
493.11176	2.1
499.12323	2.7
511.12225	6.2
523.12140	2.9
541.13239	3.7
559.14429	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2282
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03936	0.7
55.01867	0.6
57.03404	0.4
65.03926	2.3
67.05484	1.0
69.03414	1.6
70.06577	1.2
71.24387	0.8
72.08148	0.4
77.97163	0.4
78.04720	3.3
79.05478	1.7
81.03417	1.1
82.04198	1.0
84.11440	0.4
85.02911	4.3
89.03922	0.7
91.05485	5.0
93.03388	1.0
95.04964	1.4
96.05753	0.5
97.02901	1.3
97.06504	0.6
103.05452	2.5
105.03406	0.6
105.07063	0.6
106.04168	1.8
107.04961	2.6
109.02888	1.3
110.03689	1.1
111.04454	0.8
115.05465	5.7
117.07029	7.6
119.04964	4.3
119.05726	0.9
121.02882	0.5
122.03665	0.9
123.04436	9.0
124.05247	2.6
125.06001	0.9
127.03899	1.1
127.05436	1.7
128.06229	0.5
131.04900	0.6
133.02861	0.6
137.02275	0.5
137.05981	5.7
142.02628	0.9
143.04938	0.6
144.05725	0.5
145.05215	0.6
145.06491	12.2
147.04420	4.8
147.08047	0.5
151.03925	2.2
151.07535	1.2
152.04669	1.5
153.05490	2.5
155.04868	0.8
155.06039	6.5
155.07162	0.7
160.05241	0.6
161.05995	0.8
163.07538	0.5
167.07048	100.0
168.07439	0.7
171.06505	1.4
172.05215	0.5
173.05988	20.8
175.07495	1.1
176.03236	0.4
177.05505	0.7
179.07048	1.2
181.04962	30.9
190.06322	0.7
191.07037	1.0
201.05566	0.5
203.07001	1.2
205.08603	5.9
219.06511	0.6
231.06577	0.9
233.08092	5.7
234.08850	0.6
235.09653	5.4
273.13971	0.4
287.05527	6.1
288.05865	5.2
289.06067	5.5
297.11346	0.7
325.10834	0.6
355.11783	0.5
357.13464	3.4
361.02521	0.6
385.12848	21.7
386.13821	0.7
387.14429	5.0
417.15549	10.7
436.06833	0.5
583.21820	2.4
610.31842	0.5
613.22821	38.1
614.22992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2285
Annotation	Divinyl chlorophyllide a
Peak:m/z	Relative Intensity
53.03931	1.3
55.01862	1.5
65.03943	3.7
67.05481	1.9
67.13606	0.5
68.99799	0.6
69.03408	1.4
69.73428	3.2
70.06568	1.0
71.04974	2.4
78.04704	3.6
79.05491	3.0
81.03396	2.2
81.07040	2.0
82.04175	0.9
83.04954	1.0
85.02904	6.8
91.05481	5.7
93.03381	0.9
93.07069	0.7
94.04175	1.0
95.04957	2.6
97.02896	0.7
97.06528	1.3
98.21411	1.0
103.05460	6.5
105.03387	1.2
105.07014	2.3
106.04176	1.8
107.04969	3.5
107.08557	1.0
108.02086	0.9
109.02876	1.3
109.06510	1.1
109.10130	1.0
109.27451	0.6
110.03639	1.5
111.04372	1.4
112.58147	0.6
115.05469	7.6
116.34623	0.5
117.07020	10.5
118.04124	0.7
119.03431	0.6
119.04954	4.6
119.08526	1.0
121.02797	0.7
121.06514	1.2
122.03637	1.8
123.04441	9.0
124.05246	3.3
125.05978	2.1
127.03927	1.6
127.05437	1.6
129.05475	0.6
129.07002	1.0
129.40683	0.5
131.04938	7.4
131.08633	0.8
132.05675	0.8
133.02850	1.7
133.06451	1.1
133.10069	0.8
135.04379	1.2
135.08110	0.8
137.05980	22.4
138.03139	1.0
139.03845	0.6
142.02612	1.3
143.04851	0.8
145.06490	11.9
145.10147	1.3
147.04424	4.5
147.08052	0.6
148.05156	2.1
149.05991	1.0
151.03906	19.5
151.05011	1.1
151.07526	1.5
152.04727	2.7
153.05461	5.0
155.06018	7.2
155.07152	0.7
157.10190	0.7
159.11627	0.8
160.05197	0.9
161.05969	2.8
161.13210	1.8
162.06778	0.8
163.03967	1.1
163.07541	4.4
165.05516	2.4
167.07042	100.0
168.07388	1.2
171.04337	0.7
171.06485	2.1
173.05991	21.1
175.07597	2.7
176.04672	0.7
177.05463	1.2
177.09175	0.9
178.86383	0.6
179.07050	1.5
181.04958	42.8
187.07570	0.8
189.09184	1.2
191.07031	22.8
193.04968	1.1
201.05511	0.9
201.16379	1.3
203.06982	2.1
203.18037	1.0
205.06712	1.1
205.08574	6.2
207.06525	1.7
208.07335	1.0
209.08058	1.2
217.08533	0.8
219.06667	0.8
219.10251	0.7
222.06779	0.8
225.07664	1.7
231.06508	0.9
233.08023	6.8
234.06717	0.7
235.07561	1.0
235.09622	5.5
249.05890	0.6
263.09207	2.6
267.10046	0.7
277.08728	0.7
287.05460	1.9
295.09521	0.9
297.11215	0.8
323.09351	0.6
325.10760	1.4
355.11893	1.8
357.13156	3.7
369.13330	0.9
385.12817	20.2
386.13416	1.1
387.14374	11.9
417.15439	10.5
583.21625	3.6
613.22784	39.8
614.23206	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4838
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.01611	1.6
53.03944	4.8
54.74448	1.3
55.01883	3.4
55.05512	24.5
55.15387	1.4
57.03433	7.9
57.07072	8.5
65.03941	3.8
67.05507	64.9
68.05846	3.3
69.07067	24.3
71.04991	2.7
71.08630	3.2
71.20934	3.3
73.04760	11.0
74.05094	1.8
75.04470	2.1
79.05494	39.9
80.05843	1.6
81.07058	70.8
81.07536	3.4
82.07405	3.1
83.04960	2.3
83.08620	10.8
83.80479	1.4
85.06532	3.1
89.06048	3.6
91.05416	33.2
92.05733	1.8
93.07047	40.7
94.07388	2.2
95.04984	3.2
95.08611	48.6
97.06528	4.4
97.10165	5.3
105.04547	2.0
105.07034	34.3
105.07694	2.5
106.07351	2.3
107.08597	26.9
109.06561	2.6
109.10161	23.0
110.10521	2.0
111.08086	3.0
115.05440	2.4
116.68264	1.6
117.07014	13.1
118.06666	1.4
119.08585	38.8
119.87669	1.5
120.08894	2.8
121.10144	22.0
122.34533	1.9
123.11684	8.6
125.09635	2.8
129.07019	6.0
131.08565	24.7
133.08652	1.6
133.10136	24.1
135.11710	15.4
136.12102	1.8
137.06000	3.1
137.09631	2.0
137.13300	3.3
141.07033	1.8
143.08578	8.8
144.08990	1.9
145.10130	24.5
147.07925	1.7
147.11694	20.0
148.11983	1.5
149.13234	7.5
151.07568	4.3
151.11185	2.6
151.14833	2.5
155.08566	3.1
157.10120	10.3
159.11694	19.8
160.12140	1.4
161.13255	13.8
163.11252	1.5
163.14859	2.4
167.05571	4.9
169.10106	3.6
171.11685	11.5
173.13271	13.7
175.14824	8.3
177.16373	1.7
181.10219	2.0
183.11714	5.0
185.13202	7.6
187.14856	6.5
189.16393	3.6
189.55188	1.8
197.13327	3.2
199.14877	4.6
201.16423	5.9
203.18022	3.0
211.14868	2.4
213.16492	2.5
215.17990	5.1
217.19545	2.0
225.16539	1.9
229.19585	2.3
231.21005	1.8
239.09509	2.0
239.18027	2.1
240.09673	2.7
241.19572	8.3
243.21182	3.3
257.19067	3.7
259.20630	16.3
261.22131	4.8
270.97626	1.7
271.98007	1.7
277.18613	2.3
277.21777	6.8
286.01013	1.9
287.00531	2.2
288.00726	2.0
301.06116	2.2
315.23257	1.9
325.25143	1.6
333.24286	9.7
335.25854	5.8
337.27356	12.7
347.97018	2.4
355.06903	2.5
356.07239	3.9
357.06854	5.0
358.07043	4.4
521.43555	6.0
539.44354	2.4
595.46924	10.1
613.48132	100.0
614.48529	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03948	3.6
53.22666	1.0
55.01868	1.4
55.05513	16.7
57.02327	1.2
57.03444	5.8
57.07072	3.8
61.54645	1.0
64.81937	1.1
65.03924	2.2
67.05507	54.3
67.37927	0.9
69.06728	1.7
69.07073	18.5
69.31387	4.8
69.31816	4.4
71.05015	1.8
71.08636	2.1
79.05495	32.1
81.07060	57.2
83.05003	2.0
83.08623	9.7
85.06519	2.3
91.04974	2.1
91.05489	20.5
93.07048	37.9
93.07633	1.9
95.04960	1.8
95.08613	44.5
96.30533	1.0
97.06535	4.1
97.10176	4.5
99.08076	2.1
105.04572	1.2
105.07037	21.2
107.08593	26.3
109.10162	22.9
111.08101	1.4
117.07027	9.8
119.08587	22.8
121.10157	21.1
123.11723	9.6
125.09554	1.1
128.06215	1.0
129.07021	4.8
131.08568	20.3
133.10129	19.2
135.11691	13.5
137.09627	1.2
137.13290	3.9
142.07669	1.1
143.08562	6.5
145.10123	17.4
145.11150	1.4
147.11691	14.5
149.09570	1.4
149.13234	8.9
154.33478	0.9
155.08604	2.6
157.10152	5.9
159.11705	14.7
161.13242	11.5
163.14851	4.6
169.10225	3.3
171.11662	5.2
173.13277	11.7
175.14801	6.6
177.16406	1.9
181.10187	1.4
183.11728	2.6
185.13284	5.3
187.14848	6.5
189.16417	2.6
191.17982	2.2
199.14906	4.7
201.16492	4.2
203.18036	1.4
213.16441	1.8
215.17921	2.5
217.19498	1.4
227.18037	1.6
229.19542	1.6
231.21170	1.6
241.19675	2.4
243.21120	2.2
257.18985	1.2
259.20587	9.2
261.22119	10.3
263.23746	2.8
277.21472	1.2
299.23776	1.8
315.23297	1.2
315.26962	1.3
317.24878	1.8
333.24310	6.1
335.25867	17.2
337.27414	10.0
378.57806	1.1
421.30038	1.2
483.27811	1.1
489.36276	1.3
503.37085	2.0
517.38696	1.4
521.43951	6.2
531.40399	1.9
539.44843	3.8
543.40656	1.9
595.47229	12.6
613.48279	100.0
614.48456	3.9
627.87036	1.2
633.54333	1.2
634.94257	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03946	2.9
55.05515	18.9
57.03428	6.3
57.07078	3.7
65.03930	2.1
67.05511	63.2
69.07072	18.8
69.80975	4.7
69.81383	3.0
71.04990	2.7
71.08620	1.5
71.14550	1.3
77.03898	1.3
79.05501	37.2
81.07064	63.1
83.08620	11.1
85.06526	2.1
91.05488	27.7
93.07051	38.8
95.04980	2.3
95.08614	48.7
97.06546	3.4
97.10177	5.6
99.08134	1.9
105.07043	29.5
105.20214	1.5
107.08604	25.5
109.10163	25.0
111.08100	2.1
117.07013	10.4
119.08597	24.3
120.27376	1.3
121.10153	23.1
123.11707	8.9
128.06255	1.9
129.07027	4.9
131.08571	22.5
133.10139	23.9
135.11681	16.8
137.13281	5.7
141.07013	2.0
143.08571	7.9
145.10132	19.8
147.11681	17.7
149.13281	12.0
151.14832	2.4
155.08566	1.9
157.10127	6.7
159.11710	16.2
161.13281	11.5
163.14822	6.3
169.10126	3.6
170.67616	1.5
171.10519	1.6
171.11664	7.3
173.13258	11.8
175.14877	5.9
177.16420	2.9
179.14351	1.7
185.13283	5.4
187.14828	7.5
187.88860	1.4
189.16469	2.2
195.11879	1.6
197.13313	2.2
199.14919	3.0
201.16429	5.6
203.18010	2.2
213.16493	2.6
241.19614	3.8
243.21255	3.0
247.20624	2.0
259.20670	5.6
261.22208	10.5
263.23755	1.9
277.21762	1.6
285.22272	2.1
299.23767	2.0
329.28540	1.6
333.24399	5.1
335.25870	14.6
337.27557	7.8
355.30051	1.9
489.35681	1.9
517.38745	1.8
521.43640	5.2
539.44403	3.4
543.40936	1.7
595.47449	12.8
613.48334	100.0
614.49084	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	613.4831
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.83385	0.9
53.03947	3.1
53.63623	0.9
55.01889	2.1
55.05517	16.4
57.03446	4.1
57.07088	5.6
59.04989	0.9
65.03947	2.2
67.05509	41.5
69.07073	17.8
69.53635	3.2
69.54068	3.4
71.04990	1.7
71.08629	2.7
73.04762	2.6
79.05499	27.2
80.54951	1.0
81.07062	50.9
83.04982	0.9
83.08628	11.2
85.06556	1.9
91.05460	19.3
93.07050	30.0
95.04990	2.0
95.08616	37.2
97.06541	3.3
97.10168	5.3
98.21479	1.5
99.08103	2.0
105.07047	22.7
107.08604	18.4
109.06530	3.1
109.10175	17.9
109.41283	0.9
111.04454	2.8
111.08099	2.5
115.05505	1.0
117.07008	8.7
119.08588	24.2
121.10151	17.1
123.11720	6.8
125.09622	1.6
129.07033	7.7
130.07684	0.9
131.08571	17.1
133.10138	16.1
135.08098	1.1
135.11696	10.7
137.06000	15.4
137.09642	1.9
137.13284	2.9
139.11189	1.7
143.08546	7.6
145.10149	17.2
147.11717	13.7
149.09698	1.8
149.13272	6.9
151.11172	1.3
155.08591	2.6
157.10144	7.8
159.11707	13.5
159.77203	0.9
161.09644	2.2
161.13235	7.7
163.11232	2.2
163.14813	4.2
165.16409	1.1
167.05583	1.0
169.10185	3.5
171.11761	5.9
173.13272	9.8
175.11206	1.6
175.14764	5.3
177.16373	1.6
179.14404	3.9
181.10014	1.4
183.11708	3.0
185.11903	1.0
185.13272	6.4
187.14780	6.1
189.16425	3.6
191.18059	1.4
195.11794	2.7
197.13367	2.5
199.14856	3.3
201.16484	3.2
203.18016	3.4
205.15933	1.2
209.13252	1.4
211.14941	1.8
213.16425	3.0
215.18036	2.8
217.19594	2.0
219.21220	1.0
223.14996	1.2
225.16394	1.5
229.19565	1.9
231.17491	2.0
231.21184	1.4
243.21193	1.6
247.20648	0.9
249.18576	2.4
255.21257	1.3
257.19095	1.6
257.22809	1.4
259.20679	2.9
261.22192	3.8
267.21066	1.3
277.18094	14.8
277.21600	2.9
279.23322	1.3
285.22110	1.1
295.19083	1.9
299.23773	1.5
301.21927	1.3
301.25372	1.1
303.23187	1.2
313.25241	1.6
317.24777	1.1
325.37827	0.9
333.24286	3.0
335.25699	4.9
337.27536	3.4
341.28488	1.4
357.06900	1.5
358.06677	1.4
383.33197	1.2
451.35873	1.2
472.58136	1.0
475.34665	1.2
491.37793	1.0
503.42737	1.8
521.43585	7.1
529.39124	1.2
539.44592	3.1
595.47021	9.1
613.48309	100.0
614.48505	1.9
629.81799	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77619	0.3
55.01869	0.5
57.03437	0.6
61.02917	1.1
67.35393	0.3
69.03436	2.7
70.85717	0.8
71.04996	0.3
73.02894	0.3
81.03416	1.2
85.02907	9.9
91.03951	0.5
91.05507	0.6
94.63381	0.3
96.70182	0.3
97.02898	3.4
99.04449	0.6
104.47217	0.3
109.02891	0.7
115.05447	0.4
117.07027	0.3
123.04443	0.5
127.03912	1.9
137.06039	0.3
141.07018	0.3
145.04979	2.5
145.06502	0.5
151.07535	0.5
152.06247	0.5
155.06081	0.3
161.05992	2.7
163.06053	0.8
165.07010	0.9
167.07065	4.3
167.08456	0.7
168.07362	1.5
169.06427	0.3
173.06038	1.1
180.05714	0.9
180.08765	0.4
181.04950	1.1
181.06459	0.6
182.07339	0.3
183.08118	0.3
185.09677	0.3
195.08038	4.8
196.08852	2.8
197.05977	1.2
198.06731	0.5
199.11229	0.4
209.05943	0.4
211.07506	0.4
212.08319	5.0
213.09122	2.2
223.07561	2.5
224.08337	3.6
225.09198	1.1
226.06123	0.4
227.07211	2.3
227.10667	7.8
233.08159	0.4
237.09125	0.7
238.09943	1.6
239.07108	0.4
240.07852	3.8
241.08617	5.8
242.09389	14.3
242.11874	0.7
243.06511	0.9
243.09665	0.3
245.11647	0.5
245.79338	0.3
246.74690	0.3
253.08585	0.3
255.10170	25.0
256.10721	0.6
258.08875	5.7
271.09564	0.5
272.10388	0.4
273.11224	100.0
274.11572	1.9
297.11252	0.8
299.60696	0.3
315.12271	0.7
339.12259	1.2
350.77341	0.3
385.12723	0.4
386.13031	0.5
399.14270	0.8
417.15430	0.4
418.15823	0.7
434.99130	0.3
435.16635	4.7
614.23163	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01867	2.8
55.05506	4.6
57.03440	15.3
59.04991	2.5
61.02939	2.0
66.93995	1.6
67.05507	5.2
69.03431	21.1
69.07062	3.0
70.06596	10.0
71.04996	60.5
72.08160	4.7
73.02920	6.0
75.04482	5.1
79.05510	7.7
81.03428	2.9
81.07046	6.8
83.04983	12.3
84.04501	3.1
84.08134	2.9
85.02908	100.0
86.09712	4.2
87.04469	5.2
91.05470	7.5
93.07056	9.4
95.04972	6.2
95.08625	11.9
97.02890	15.8
97.06527	2.0
99.04440	3.1
105.07046	13.6
107.04964	3.4
107.08586	11.2
109.02902	3.5
109.06516	6.8
109.10153	8.0
111.04431	19.0
111.08054	2.6
115.03941	13.6
117.06998	4.3
119.08582	13.0
121.06509	7.1
121.10159	21.2
123.08086	9.7
123.11703	2.8
125.06034	2.4
127.03923	3.4
128.06233	2.0
129.05495	48.4
129.06944	3.3
131.08577	8.3
133.06517	5.4
133.10153	8.6
135.04430	2.0
135.08127	4.3
135.11685	11.7
137.05995	3.7
142.07838	2.1
143.08551	6.2
145.05045	2.8
145.06416	1.8
145.10103	9.7
147.06573	9.5
147.08051	5.6
147.11725	6.7
149.05974	7.6
149.09654	3.4
151.07555	6.6
153.06960	2.2
155.08598	5.1
156.09311	2.3
157.10115	6.6
159.08075	6.5
159.11752	8.5
160.08878	2.0
161.09575	4.2
161.13225	3.4
163.06036	3.1
163.07574	4.4
167.07057	7.3
169.08652	2.9
169.10138	5.8
171.08069	6.3
171.11693	3.9
173.09639	9.7
173.13295	11.3
175.14839	5.9
177.09256	2.3
179.08675	1.8
180.09418	3.0
183.08252	2.7
183.11717	6.6
185.09666	3.5
185.13264	3.2
187.11220	8.2
187.14888	4.9
191.10692	2.1
193.10144	3.1
195.11752	2.2
197.09647	8.8
199.11227	2.9
201.12801	2.5
203.14368	3.1
211.11212	5.5
211.14795	2.5
213.12662	2.5
215.10695	26.0
225.12923	2.4
225.16393	5.3
227.14310	7.0
229.15918	3.9
233.11671	4.3
241.15959	2.6
243.17461	2.8
245.15337	2.6
247.17163	2.2
253.15906	21.5
271.16928	41.9
289.17984	45.4
292.10410	2.0
307.19052	12.9
490.58997	2.1
519.44342	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01865	1.4
55.05271	1.5
55.05515	22.2
57.03442	6.2
57.07081	6.2
59.92929	1.0
61.44319	1.0
65.03930	3.2
67.05507	49.1
67.94998	1.1
69.06733	1.7
69.07072	25.1
70.63800	2.0
70.64130	2.2
71.04992	1.3
71.08632	2.3
79.05496	26.6
81.07060	53.9
83.04976	2.4
83.08624	14.3
85.06537	2.2
85.10152	1.7
91.05489	20.7
93.07047	35.2
93.78560	0.9
95.04960	2.2
95.08614	47.6
97.06552	3.1
97.10159	7.0
97.27881	1.0
105.04467	1.2
105.06329	1.0
105.07033	23.1
107.08596	24.6
109.06572	1.5
109.10161	20.3
111.08067	2.2
111.11730	1.9
117.07040	7.0
119.06339	1.2
119.08594	24.2
121.10149	19.0
123.11707	10.1
125.09624	1.5
129.07018	2.5
131.08551	14.0
133.10132	18.0
135.11690	14.2
137.13301	2.7
139.11162	1.1
143.08589	3.5
143.34979	0.9
145.10130	12.6
147.11694	11.8
149.09596	1.1
149.13245	6.8
151.14897	1.9
153.12935	1.0
157.10187	3.5
159.11710	10.8
161.13258	9.9
163.14821	4.1
171.11740	3.0
173.13274	7.7
175.14851	5.5
177.12799	1.3
177.16425	2.8
183.11694	1.3
185.13280	2.2
187.14819	3.4
189.16472	2.6
197.13214	1.1
199.14906	2.4
201.16425	1.9
203.17908	2.4
213.16527	2.3
215.17911	1.3
217.19519	1.8
219.21115	1.8
229.19511	1.3
241.19707	1.4
243.21240	2.1
245.22813	1.3
247.24252	1.6
255.67757	1.0
259.20590	4.6
261.22223	8.9
263.23767	1.9
273.22391	1.3
289.25180	1.2
301.25504	1.3
313.25162	1.1
317.25058	1.9
317.28317	2.1
318.34378	1.1
333.24280	2.0
335.25839	9.6
337.27405	10.6
339.28992	4.5
343.29929	1.6
355.62091	1.0
391.31958	1.3
434.58554	1.1
449.32883	1.3
465.78516	1.1
491.37762	1.2
517.38715	2.0
523.44849	5.4
541.46307	3.5
557.46112	1.4
597.48755	12.7
615.49835	100.0
616.49750	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	615.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
55.01876	1.2
55.05520	19.9
57.03445	5.2
57.07084	5.6
65.03944	2.2
67.05513	51.1
69.06729	1.6
69.07076	22.1
70.07410	0.8
71.04996	2.0
71.08644	2.1
77.03931	1.1
79.05502	30.3
79.44729	0.7
81.07067	53.0
83.05000	1.5
83.08631	11.0
85.06564	1.8
85.10181	0.8
91.05492	18.6
93.07055	33.3
95.04996	1.7
95.08618	44.8
97.06552	3.5
97.10182	8.0
99.08128	1.9
105.04499	1.1
105.07043	21.3
107.08607	22.6
109.06522	1.4
109.10171	19.6
109.10920	1.0
111.08102	1.6
111.11728	1.6
117.07021	6.8
119.08598	21.2
121.10150	16.2
121.11029	0.9
123.08070	1.2
123.11716	8.0
125.09638	1.9
129.07045	2.5
131.08585	14.8
133.10144	16.1
135.08046	0.9
135.11696	13.2
137.09621	0.9
137.13249	4.1
143.08614	3.8
145.10156	12.6
147.11710	11.3
149.09593	0.8
149.13254	8.3
157.10172	3.0
159.11699	8.4
161.13284	7.8
163.14848	3.9
165.68857	0.8
169.10248	1.4
171.11765	3.7
173.13254	6.2
175.14839	5.0
177.08089	0.9
177.16380	1.5
183.11659	1.2
185.13300	2.3
187.14853	4.8
189.16434	3.2
199.14836	1.7
201.16458	1.9
203.18069	2.2
211.14845	1.0
215.18091	1.3
217.19627	1.0
231.17426	1.2
231.21074	1.2
233.22678	1.0
241.19635	3.1
243.21217	3.2
245.22539	1.1
247.20642	1.0
259.20575	5.1
261.22162	10.3
263.23767	0.9
275.23862	1.8
277.21774	1.2
287.23825	1.5
289.22003	0.9
289.25409	1.4
291.23367	1.2
315.26892	1.3
317.24988	1.1
317.28461	0.9
333.24399	2.1
335.25821	8.6
337.27469	12.2
339.29062	4.1
351.29037	1.0
357.31882	1.3
385.34952	1.2
421.29681	1.0
491.37222	1.3
503.37549	1.4
517.39142	1.5
523.45184	4.4
541.46564	4.2
559.46350	1.2
597.48920	13.5
615.49896	100.0
616.49994	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
54.97322	1.6
55.01871	2.7
65.03947	4.2
70.06593	4.4
71.05008	4.3
71.50907	2.3
75.04478	4.8
76.76620	1.8
79.05491	3.8
81.03425	2.0
85.02907	10.5
91.05472	12.4
93.03400	11.4
93.07040	6.9
95.04992	4.8
97.02910	2.7
97.06522	3.1
103.05486	6.9
105.07048	16.1
106.04177	31.7
106.73505	1.6
107.04971	3.5
114.98632	1.7
115.05477	3.0
118.04174	2.9
119.04949	1.8
121.06505	33.0
123.04427	2.1
125.06007	8.8
127.59895	1.5
129.05444	2.0
131.04912	4.7
133.06506	12.1
134.03650	5.3
137.05991	5.1
139.07564	1.8
148.05226	2.1
149.06001	49.7
151.06059	1.4
151.07542	3.5
153.09135	13.2
153.17763	1.6
161.05994	23.8
163.07579	4.6
167.07051	2.9
177.05479	23.2
181.08623	19.4
191.07040	24.6
191.08609	2.2
193.08659	26.0
209.08112	100.0
233.74731	1.6
290.18491	1.9
333.12753	1.7
385.36670	2.0
401.15735	1.8
409.15390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.3
55.01867	3.6
65.03937	2.8
69.03433	1.5
70.06599	5.1
71.51160	1.2
72.08158	1.2
75.04491	4.3
78.04706	2.7
79.05488	3.2
81.03419	1.4
84.08131	2.5
85.02911	6.8
86.09702	3.0
89.03934	1.0
91.05484	12.2
93.03407	12.0
93.07066	5.1
95.04977	4.7
97.02888	2.1
97.06527	3.3
103.05468	9.4
105.03416	0.9
105.04554	1.1
105.06331	1.0
105.07027	16.9
106.04176	29.6
107.04996	3.9
108.05791	1.0
109.02882	1.0
110.07172	0.9
115.05462	3.3
117.03413	1.0
118.04154	1.6
119.04970	1.7
121.06516	27.7
121.07390	1.3
122.07317	1.3
123.08118	0.9
125.05988	8.3
127.03901	1.1
129.10272	1.5
131.04933	3.9
133.06491	15.3
134.03647	5.5
135.04420	1.1
137.05980	5.0
138.06717	1.4
139.07544	1.8
143.06096	1.8
145.02866	1.3
148.05167	3.1
149.05991	49.6
151.07539	2.9
153.05501	2.0
153.09123	13.2
161.04642	2.0
161.05983	37.1
163.03908	1.0
163.07532	4.2
166.06279	1.5
167.07056	2.5
168.06618	0.8
177.05486	24.1
181.08585	22.3
188.78119	0.8
191.07039	17.5
193.08609	39.8
195.63213	0.7
206.14343	0.9
209.08096	100.0
210.08597	1.0
218.82483	0.8
243.82266	0.8
287.05661	2.8
345.58832	1.0
369.13315	1.0
387.14355	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	616.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
56.05043	38.6
56.96569	1.1
57.03445	0.7
57.07092	0.5
67.05513	5.4
67.88818	0.5
69.07059	1.4
70.89629	1.2
74.06103	0.6
79.05504	4.2
81.07072	5.1
83.08648	0.6
90.97888	0.5
91.05493	2.7
93.07051	3.7
95.04981	0.5
95.08619	3.5
98.97589	1.8
99.08096	0.6
102.05553	100.0
105.07036	2.2
105.94228	0.5
107.08598	1.7
109.10175	2.3
112.99142	1.0
116.98621	0.6
117.07021	0.6
119.08623	1.6
121.10159	2.2
123.11724	0.6
125.09682	0.5
131.00189	1.5
131.08580	1.7
133.10168	1.4
135.11716	1.5
143.00148	0.7
145.10158	1.5
147.11737	0.7
149.01216	1.4
149.13295	1.0
151.14948	0.6
157.10185	0.5
158.99673	1.0
159.11722	1.0
161.13297	1.0
163.14888	0.9
171.11647	0.7
173.13232	0.9
177.00787	1.0
181.12321	0.6
185.13260	0.7
185.51022	0.5
189.16209	0.5
243.21149	1.0
261.22177	4.1
275.04456	1.2
293.05453	1.7
311.06622	0.7
317.17960	2.8
335.18893	0.7
335.25671	0.8
353.26965	1.5
369.24219	0.7
553.26910	2.0
592.69171	0.5
616.37988	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.42
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56947	6.7
53.03943	9.8
55.05309	6.6
55.05516	73.3
57.07073	15.8
65.03956	6.2
67.05516	43.4
67.57344	5.7
69.03426	18.1
69.07062	22.7
69.26579	15.4
69.26984	54.8
71.04998	10.0
71.08645	9.3
79.05496	41.3
81.07072	55.9
83.04984	27.0
83.08624	80.2
85.06532	8.3
87.04478	10.2
89.06023	20.8
91.05499	49.4
93.07057	60.8
93.86586	5.8
95.04976	34.0
95.08612	56.7
97.06546	44.7
105.07038	100.0
106.07333	12.3
107.07971	8.9
107.08617	73.5
108.08916	9.6
109.06525	16.3
109.10166	34.9
111.08077	7.3
112.79968	6.7
113.09641	18.8
115.05467	8.5
116.01482	6.8
117.07039	23.0
119.08601	82.2
120.08942	8.5
121.06512	28.2
121.10149	48.7
121.10916	7.3
122.10467	9.2
123.08096	36.2
123.08917	8.0
125.06002	10.1
125.09644	28.4
128.06250	11.8
129.07022	16.1
131.08600	41.9
132.08870	8.1
133.08621	8.3
133.10162	40.3
135.08118	14.6
135.11742	7.0
137.09654	7.9
139.11194	24.9
141.06987	9.9
142.07764	24.1
143.08626	37.8
144.09004	10.7
145.10127	62.9
146.29596	6.1
147.08066	12.2
147.11700	14.4
149.09616	17.5
151.11159	6.0
154.07704	6.1
155.08540	16.0
155.10675	12.6
156.09358	14.1
157.10162	64.2
158.10504	7.5
159.08060	26.9
159.11755	33.0
160.08484	7.8
160.12105	7.1
161.09685	15.1
161.13293	6.7
162.59854	6.5
163.07481	7.8
163.11131	8.2
167.08415	10.2
167.10674	18.9
168.09286	9.7
169.10159	37.1
170.10800	7.8
171.11652	31.5
173.09633	18.5
173.13260	21.7
179.08562	15.4
180.09245	12.3
181.10081	18.7
181.12233	33.3
182.10852	7.5
183.11746	30.1
184.12169	7.1
185.09518	9.5
185.13359	14.5
187.11295	7.9
187.14804	7.5
191.14375	9.0
193.10199	17.1
194.10831	11.4
195.11703	23.7
196.12222	14.2
197.13315	25.7
199.11093	9.1
199.14847	11.5
206.10876	10.3
207.11803	13.5
207.13655	7.7
208.12569	6.4
209.13274	24.7
210.13663	7.1
211.14864	17.0
221.13354	14.7
221.15402	26.6
222.13857	7.3
223.14871	8.0
225.14764	7.5
226.16844	8.1
227.14470	8.1
233.15393	16.9
235.14688	9.8
247.14799	8.1
255.17442	10.6
256.17813	9.5
263.18002	14.5
271.14728	8.2
277.19678	6.3
285.18503	10.4
339.86389	6.9
364.23734	10.6
599.41150	9.9
617.23315	18.9
617.41461	25.6
617.51099	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	617.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98446	2.1
53.03942	3.3
55.01855	3.0
55.05278	3.7
55.05517	47.1
57.07070	7.4
59.04992	3.1
62.91322	2.1
65.03942	2.8
67.05515	14.1
69.03418	7.3
69.07053	5.4
70.55547	2.2
71.04993	4.4
79.05495	16.7
81.07065	24.5
83.04987	10.9
83.08149	4.3
83.08623	61.9
85.06538	6.7
91.05483	24.3
93.07046	29.3
95.04955	10.4
95.08617	26.1
97.06523	15.2
98.20687	3.3
102.57133	2.8
105.06405	3.2
105.07044	33.5
107.08598	37.1
109.06510	8.2
109.10167	10.5
111.08076	5.4
113.09631	7.8
115.05460	3.4
115.21082	2.6
117.07025	11.0
119.08585	35.8
121.06485	5.0
121.10177	15.4
123.08064	20.9
123.11705	2.3
125.09634	14.9
128.06186	3.6
129.06998	8.1
131.08586	32.1
133.06511	4.0
133.10139	23.4
135.08070	12.1
135.11710	3.0
137.09653	11.3
139.11163	6.7
141.07008	5.7
142.07784	7.7
143.08559	17.2
144.09386	3.4
145.10133	35.5
147.08049	26.8
147.11703	8.4
149.09592	5.7
151.07585	23.9
153.12820	3.7
155.08540	8.4
155.10663	11.2
156.09300	6.6
157.10138	28.3
158.10733	2.9
159.08054	6.4
159.11694	17.9
161.09618	5.7
161.13245	7.1
163.11163	6.1
165.09142	39.4
167.08542	6.2
169.10173	14.7
171.11665	12.5
173.13280	6.6
175.14764	2.9
179.08644	6.2
179.10574	2.7
179.14374	3.4
181.10202	12.0
181.12248	19.3
182.10889	4.3
183.11708	12.9
185.09660	3.0
185.13257	5.8
187.11203	4.3
189.12764	7.5
191.14313	3.1
193.10159	7.2
193.12111	3.9
194.10956	4.8
195.11705	10.4
195.13562	3.8
197.13260	18.8
199.14865	3.6
203.14313	17.3
207.11867	5.0
207.13834	9.9
208.12509	5.6
209.13255	11.6
209.15210	4.7
210.13976	2.5
211.11201	3.3
211.14848	6.6
213.16391	3.6
215.14307	2.5
221.13341	6.6
221.15361	100.0
222.15773	3.1
223.14890	15.9
233.15375	4.5
237.16528	3.1
246.14200	3.5
247.16933	6.0
249.16234	2.7
249.54828	2.6
251.18039	3.8
253.15747	3.0
285.18515	2.6
286.19229	7.1
287.20172	10.9
297.18173	2.7
299.20029	13.2
300.20715	7.8
312.20721	2.4
313.21658	5.1
365.24728	5.4
375.23032	3.0
391.26132	7.2
413.27902	5.1
431.29544	5.4
599.40546	12.4
617.41943	33.9
618.41656	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	617.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.05276	4.5
55.05521	55.5
57.03448	3.6
57.07077	10.4
59.04996	5.6
59.34621	3.6
59.58155	3.1
65.57384	3.2
67.05515	30.3
69.03432	10.2
69.07069	7.3
70.20109	6.1
70.20525	11.6
71.05010	6.1
78.34478	3.0
79.05499	26.5
81.03429	4.8
81.07069	31.6
83.04984	14.9
83.08627	65.3
83.09119	4.3
85.06535	10.9
87.04465	6.2
87.62344	3.6
90.27554	3.4
91.05490	43.2
93.07054	60.6
95.04983	18.6
95.08603	32.5
97.06534	22.2
103.05483	4.4
105.07047	56.6
107.08607	58.0
109.06528	11.6
109.10184	20.0
111.08080	8.1
113.09653	10.1
115.05464	3.9
117.07027	13.9
119.08596	56.6
119.30279	3.9
120.08900	4.4
121.06509	9.4
121.10165	37.4
123.08080	29.5
125.05971	5.2
125.09650	20.7
128.06245	10.1
129.06978	16.4
130.07794	4.2
131.08582	35.9
133.06482	3.8
133.10155	37.6
135.08107	16.8
135.11668	4.9
137.09648	16.1
139.11227	9.1
141.06999	6.0
142.07831	18.7
143.08583	24.0
144.09317	6.0
145.10147	51.4
146.10486	3.6
147.08073	26.7
147.11690	18.1
149.09639	6.5
151.07532	22.7
155.08563	11.3
155.10701	14.7
156.09314	12.4
157.10146	41.1
158.10869	5.7
159.08073	7.6
159.11710	27.1
161.09621	11.3
161.13274	7.1
163.11172	12.6
165.07007	5.5
165.09148	45.8
167.08682	4.5
168.09363	4.3
169.10156	21.7
171.11732	25.6
172.12131	3.4
173.09608	8.0
173.13292	14.9
175.11169	4.2
175.14777	5.4
179.08582	5.2
179.10733	4.5
179.14352	4.8
181.10138	10.6
181.12262	17.1
182.10843	5.7
183.11714	23.2
185.13261	10.6
187.11134	5.1
187.14777	6.5
189.12727	9.9
192.09181	3.7
193.10132	5.7
194.10797	8.2
195.11670	13.2
196.12289	8.0
197.13280	25.9
199.14848	6.7
201.12692	4.4
203.14311	20.3
207.11670	9.5
207.13806	12.4
208.12216	4.5
209.13258	14.7
211.14801	12.2
213.16298	5.3
215.14235	3.9
219.11627	5.1
219.13728	5.0
221.13277	9.8
221.15364	100.0
222.13777	4.2
222.15822	7.8
223.14862	15.7
229.15807	4.3
233.15388	6.6
234.13821	5.3
235.14841	6.0
239.14267	4.0
247.16988	7.7
251.18112	5.2
261.18665	4.2
283.15164	5.0
285.18491	8.0
286.19238	3.9
287.19995	11.2
299.20056	16.0
300.20874	8.6
311.20154	4.2
313.21512	7.7
325.21622	6.1
353.24854	6.7
365.24646	10.1
386.60840	3.7
391.26309	11.1
413.28418	4.0
419.29529	4.8
431.29443	9.8
599.40533	15.3
617.40869	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17813	4.4
53.03950	10.2
55.01869	7.4
55.05302	5.1
55.05513	48.6
55.66170	5.5
57.07068	18.4
57.81793	4.3
59.04996	5.2
67.05510	46.7
69.03408	12.1
69.07056	22.3
69.29216	36.7
69.29630	10.9
71.05010	5.5
79.05497	37.1
81.07058	60.1
83.04977	25.0
83.08625	68.0
85.06558	11.1
87.04449	10.0
89.06039	5.0
91.05485	71.2
93.07045	92.2
95.04984	28.3
95.08607	56.5
97.06528	26.8
105.07040	82.9
107.04961	5.8
107.08605	78.4
109.06512	20.3
109.10159	27.1
111.08082	8.5
113.09653	10.2
115.05466	7.2
116.06260	5.8
117.07021	20.3
119.08585	75.1
121.06477	11.9
121.10149	69.2
123.08061	24.4
125.05995	14.1
125.09664	25.8
128.06238	12.1
129.07008	19.0
130.07791	13.1
131.08578	53.7
133.06522	10.2
133.10135	49.2
135.08060	22.9
135.11700	10.9
137.09662	13.3
139.11217	8.2
141.07018	6.3
142.07770	27.4
143.08566	35.1
144.09337	10.6
145.10147	80.9
146.10515	5.4
147.04391	5.0
147.08058	28.1
147.11703	24.1
149.09637	18.1
149.13263	5.0
151.07561	23.8
155.08583	14.3
155.10654	12.9
156.09357	12.0
156.69283	5.2
157.10149	51.1
159.08038	18.1
159.11732	35.7
161.09631	13.6
161.13260	10.5
163.11162	22.7
165.07051	6.0
165.09143	44.7
166.07826	8.6
167.10684	49.4
168.09334	10.3
169.10143	36.3
170.10921	9.1
171.11620	30.5
173.09595	6.8
173.13261	22.4
175.11249	14.8
175.14827	9.8
177.12791	6.8
179.08574	17.5
180.09373	8.1
181.10162	15.9
181.12241	37.4
182.10901	13.6
183.11665	29.6
185.13261	14.5
187.11159	6.8
187.14801	7.3
189.12712	13.3
191.08633	5.6
191.14362	5.6
193.10156	9.0
194.10793	5.6
195.11737	22.4
196.12514	10.4
197.13309	21.8
199.14865	13.7
201.12764	7.9
203.14352	17.8
207.11749	13.0
207.13779	13.1
208.12505	10.1
209.13237	18.5
211.14818	14.9
213.16478	7.0
215.14381	6.3
217.10274	6.0
219.11636	6.8
221.13240	18.0
221.15340	100.0
221.17349	8.1
223.14905	24.2
225.16428	10.5
227.14317	5.9
231.11655	5.4
233.13284	7.0
233.15370	26.7
235.14851	10.1
237.16281	5.2
247.17038	8.9
249.16469	6.8
257.18848	5.2
259.14886	7.0
269.18948	8.8
273.18655	5.9
283.54361	5.0
285.18457	10.4
286.19189	10.0
287.20078	11.8
299.20126	13.5
300.20688	8.7
313.21609	8.0
365.24692	5.8
391.26520	7.5
431.29248	7.0
581.39813	7.6
599.40369	17.5
617.42017	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	617.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.3
53.03942	3.7
55.05514	24.8
57.03437	4.3
57.07080	10.1
65.03944	2.6
67.05509	59.6
68.05834	2.0
69.07071	32.3
70.07397	2.1
71.04993	3.8
71.08636	4.4
71.24953	2.0
71.25300	1.3
79.05495	29.4
79.50381	1.2
81.07059	69.5
82.07390	2.2
83.08621	16.7
85.06566	2.3
85.10203	1.8
87.04490	2.4
89.80926	1.1
91.05479	16.8
92.05830	1.6
93.07047	37.5
94.07381	1.8
95.04979	1.2
95.07990	2.7
95.08609	56.0
96.08950	4.3
97.06544	4.9
97.10176	9.9
99.08064	1.5
105.04521	1.4
105.07029	18.2
107.08598	27.4
109.10162	24.4
109.10855	2.2
111.08067	1.7
111.11720	2.7
112.04803	1.5
117.07034	4.4
119.08588	19.4
119.09371	1.8
121.10146	20.1
123.11717	9.2
131.08571	9.6
133.10144	11.0
135.11688	11.3
137.09576	1.3
137.13260	3.6
139.11263	1.6
143.08607	3.1
145.10149	11.6
147.11731	7.4
149.13272	6.9
151.11176	1.3
157.10135	3.4
159.11740	6.3
161.13266	6.2
162.13664	1.3
163.14867	4.9
165.71515	1.2
171.11729	2.1
173.13307	4.3
175.14870	4.6
177.16455	1.6
185.13315	1.6
186.56653	1.3
187.14864	2.6
189.16454	2.0
201.16533	1.7
205.19659	1.7
215.18027	2.0
219.21037	2.0
233.02707	1.3
243.21120	2.6
245.22562	1.7
259.20648	1.3
261.22205	5.7
262.22684	1.6
275.23810	1.7
289.25272	1.6
317.25156	1.5
335.25836	5.1
336.26367	1.2
337.27328	5.4
339.28992	8.7
340.17865	1.4
363.29120	1.9
447.38583	1.5
505.38602	1.4
520.17462	1.3
525.46790	6.0
543.48035	3.7
599.50446	13.8
608.44629	1.1
617.51270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5137
Annotation	1,3-Dilinolein
Peak:m/z	Relative Intensity
53.03949	3.6
55.05514	21.5
57.03440	5.2
57.07089	10.2
65.03947	2.9
67.05509	50.9
69.07072	27.2
71.05000	1.9
71.08627	3.1
79.05503	24.9
81.07063	60.2
83.05006	2.2
83.08630	18.8
85.06540	3.0
87.04471	1.9
91.05481	15.7
93.07052	35.9
95.05016	2.0
95.08614	51.4
97.06535	3.6
97.10174	10.8
98.20690	3.0
99.08121	1.5
105.07034	18.5
105.07594	1.7
107.08611	18.4
109.06496	1.9
109.10161	21.9
109.10844	2.3
111.11720	2.1
117.07017	3.4
119.08595	14.7
121.10149	24.2
123.11698	7.9
125.09617	2.0
131.08594	10.7
133.10164	9.4
135.11743	13.7
137.13251	3.6
139.11246	2.0
141.54033	1.6
145.10156	9.3
147.11705	5.7
149.13298	6.9
151.14845	3.1
157.10176	2.2
159.11729	5.8
161.13271	5.4
163.14862	6.4
165.16447	1.9
173.13301	4.3
175.14897	3.7
177.16487	3.2
185.13289	1.7
187.14853	4.0
189.16411	2.2
199.13176	1.7
201.16412	2.0
203.17921	1.5
205.19722	2.2
214.06316	1.6
229.45377	2.1
245.22600	2.2
261.22247	7.0
273.08508	1.6
275.23669	2.7
303.26846	2.2
335.25854	4.7
337.27411	3.0
339.28979	9.3
349.27185	1.7
359.33148	1.9
397.76971	2.0
525.46869	6.1
533.41901	2.1
543.47925	4.4
550.10461	1.7
599.50403	19.3
617.51410	100.0
618.52173	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.0
55.01884	4.4
55.05514	45.0
57.07075	10.4
59.05003	4.3
60.67447	2.9
65.03946	4.0
67.05511	34.3
69.03428	13.5
69.07063	18.2
71.05002	7.3
79.05502	31.3
79.25879	3.3
80.06264	4.2
81.07056	40.9
82.06572	4.7
82.07384	3.6
83.04972	18.0
83.08625	59.4
85.02914	3.5
85.06551	8.5
86.71557	3.4
87.04458	9.7
91.05491	45.9
91.77565	3.1
93.07049	57.1
94.06592	6.6
95.04968	25.6
95.08052	5.4
95.08614	44.8
97.06535	25.4
98.21516	6.6
99.04460	4.1
100.98164	3.3
105.07036	77.7
107.04967	5.4
107.08594	64.9
108.08897	2.9
109.06535	18.1
109.10162	19.3
111.08090	6.6
113.09685	6.3
117.07009	24.5
119.04927	4.3
119.08587	78.8
121.06502	12.6
121.10139	45.2
123.08093	29.5
123.11725	7.5
125.06017	10.0
125.09648	16.8
126.09167	5.3
127.85130	3.7
128.06245	6.8
129.07014	19.4
130.07806	6.8
131.08566	41.0
132.09335	3.1
133.10146	45.4
135.08084	18.1
135.11679	15.7
137.09607	9.3
138.09178	15.4
138.10129	4.6
139.07614	4.6
139.11209	14.5
140.11456	3.3
141.06990	10.9
142.07808	20.2
143.08580	37.0
144.09291	13.7
145.06500	5.2
145.10141	75.5
147.08008	18.1
147.11688	18.3
149.09642	10.3
151.07524	16.7
155.08565	13.9
155.10675	10.0
156.09326	16.3
157.10132	53.0
158.10883	11.6
159.08070	12.0
159.11691	37.5
160.08824	12.9
161.09668	17.0
161.13255	3.2
163.07500	2.8
163.11205	36.8
165.07037	4.2
165.09120	27.4
165.45209	3.4
167.08557	11.2
167.10677	5.4
168.09258	5.6
169.10109	18.6
170.10928	9.8
171.10278	5.6
171.11658	34.2
172.12523	4.7
173.09590	14.4
173.13310	12.3
175.11188	19.0
175.14778	3.1
179.08524	6.0
180.09282	6.4
181.10165	10.9
181.12248	26.5
182.10912	10.2
183.11713	26.2
183.13150	3.5
183.13680	2.8
185.09639	4.5
185.13272	20.7
187.11194	9.7
187.14812	11.4
189.12759	10.3
190.13524	9.1
191.14276	5.8
193.10185	10.1
193.12280	11.0
194.10793	5.3
195.11736	21.6
195.13356	3.9
196.12535	9.1
197.13237	17.0
198.10492	3.2
199.11229	8.0
199.14864	6.9
201.12755	6.5
203.14368	10.4
206.10957	4.8
207.11691	10.3
207.13847	13.0
208.12515	6.7
208.14613	15.2
209.13278	23.1
210.13818	6.9
211.11176	6.7
211.14854	12.1
213.12753	8.9
215.10970	3.1
215.14409	5.8
219.13878	5.6
220.12509	4.1
220.14734	3.4
221.13252	9.8
221.15352	51.4
222.13905	4.1
223.14853	10.0
224.15555	4.8
225.12807	5.4
225.14885	24.3
227.14459	3.6
227.17924	3.3
231.11679	4.0
231.13785	6.3
233.13405	5.5
233.15413	21.2
234.16061	16.8
235.14806	8.6
237.12753	5.0
237.16608	7.2
239.18045	3.8
247.14734	4.1
247.16969	13.3
249.16624	5.3
251.17987	5.9
253.15849	5.3
255.17227	6.3
259.17056	3.8
261.16354	5.2
263.17984	5.4
267.77652	3.0
273.18600	6.5
275.17859	4.1
277.19482	4.2
285.18616	4.7
286.19296	6.1
287.20129	49.3
297.22473	3.4
299.20062	13.2
300.20667	5.7
309.22031	4.7
311.20175	5.8
313.21689	4.7
319.20578	4.1
325.21579	9.2
337.21689	8.6
339.23187	4.7
352.19925	6.1
352.24002	71.2
353.24670	6.1
356.49243	3.5
365.24728	12.6
367.26486	7.6
394.28738	7.1
395.25787	7.1
438.35938	8.0
472.31900	6.4
495.69788	4.1
525.35693	10.6
538.36621	100.0
600.41663	4.4
618.42639	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	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55946	2.3
51.02398	3.5
53.03944	6.9
55.01849	3.8
55.05513	40.6
56.05046	15.4
57.07070	8.1
59.05012	3.4
63.61069	2.4
65.03947	4.6
65.74091	2.8
67.05514	39.0
69.03416	11.0
69.07070	19.6
71.04980	9.7
71.51659	3.8
75.08304	2.9
79.05499	34.0
81.07059	52.5
83.04996	18.8
83.08157	3.2
83.08624	54.7
85.06528	7.3
87.04478	4.4
91.05487	55.2
93.07051	71.2
95.04989	29.9
95.08613	39.7
97.06541	26.2
98.97584	9.1
99.04451	4.0
102.05547	38.4
103.05452	3.5
105.07036	100.0
107.04926	6.6
107.08598	68.7
108.05755	3.5
109.06509	15.9
109.10151	24.0
111.08114	6.7
113.09679	4.9
115.05461	7.7
117.07017	24.5
119.08590	75.5
121.06506	14.0
121.10144	57.2
123.08047	19.2
123.11695	7.0
125.06023	5.1
125.09620	14.9
128.06247	13.6
129.07016	17.7
130.07779	7.0
131.00157	4.8
131.08575	40.0
132.09309	3.8
133.06482	2.9
133.10139	45.3
134.10495	3.9
135.08057	14.4
135.11690	9.0
137.09639	8.9
139.11203	11.9
141.06987	12.6
142.07784	23.1
143.00192	3.0
143.08568	39.6
144.09273	12.2
145.06516	7.7
145.10133	73.1
146.10942	3.2
147.08046	10.7
147.11703	20.8
148.12138	2.8
149.09668	14.8
149.13239	6.4
151.07503	3.0
151.11168	6.2
153.07014	4.4
155.08607	15.4
155.10648	12.2
156.09357	21.6
157.10139	62.8
158.10793	4.5
159.08128	14.5
159.11691	40.5
160.08821	10.4
160.12332	3.0
161.09666	14.5
161.13260	9.4
163.11179	10.2
165.06982	8.5
165.09108	3.0
165.12738	3.9
166.07796	5.2
167.08578	11.9
167.10666	13.9
168.09396	4.8
169.10147	25.3
170.10893	8.9
171.08070	3.7
171.11700	34.5
172.12282	3.7
173.09642	7.3
173.13326	14.7
175.11198	13.2
175.14809	7.8
179.08540	10.4
179.14330	8.1
180.09332	8.1
181.10210	14.1
181.12242	24.5
182.10895	9.5
182.12465	2.9
183.11749	22.6
184.12390	3.3
185.13251	14.9
186.14023	3.1
187.11191	6.9
187.14862	9.7
189.12787	6.8
190.13573	3.0
191.14334	6.1
192.09343	5.0
192.87195	3.0
193.10106	11.2
194.10909	7.5
195.11699	25.1
196.12578	6.8
197.13249	26.9
198.13950	3.8
199.11214	4.8
199.14902	14.0
201.12799	4.2
201.16394	3.7
205.10204	5.1
206.10924	8.7
207.11668	15.5
207.13667	4.5
208.12411	6.1
209.13280	19.4
209.15054	4.1
210.13988	4.9
211.14821	17.3
213.12822	6.9
213.16469	5.7
215.14323	7.7
217.15948	4.6
218.10785	3.5
219.11722	4.0
219.13634	3.4
220.12473	9.4
221.13217	15.2
221.15408	17.4
222.13858	3.9
222.15837	3.9
223.14799	15.7
225.12865	5.8
225.14726	8.0
225.16591	5.5
231.11563	4.1
233.13242	8.7
233.15419	32.4
234.14044	4.2
235.14777	10.4
237.16493	7.8
239.14236	3.1
243.17554	3.4
246.13951	5.4
246.16216	4.7
247.14886	3.7
247.17058	4.3
248.15555	3.5
249.16429	6.7
251.17996	6.6
255.17471	25.4
259.14944	4.1
261.16385	8.6
263.18011	5.3
265.19397	6.7
267.17621	4.9
268.18054	3.1
269.19040	3.7
270.19711	3.9
271.20599	5.2
275.17865	4.7
277.19284	3.6
281.18954	6.6
286.19254	3.2
289.19464	3.9
293.19034	3.4
299.20135	4.7
312.21054	3.2
319.20184	3.6
349.25259	4.9
365.24878	3.5
375.26700	3.0
383.25955	10.6
393.27502	4.7
439.29889	4.1
457.31250	4.6
517.06934	4.1
547.43262	2.9
555.29108	3.4
600.41174	4.7
618.43091	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
53.25932	2.1
55.05516	29.2
57.07080	16.8
57.07310	2.8
59.05013	3.2
67.05509	20.8
69.03426	9.2
69.07084	12.8
69.36343	8.3
69.36762	13.3
71.04977	3.9
71.47140	2.2
78.95135	2.3
79.05499	23.7
81.07054	42.1
82.07434	2.6
83.04997	5.5
83.08625	34.6
85.06527	7.9
87.04475	37.3
91.05491	34.5
93.07043	41.1
95.04977	19.5
95.08617	25.4
97.06523	14.1
105.07034	55.7
107.05026	3.8
107.08594	33.7
109.06541	12.7
109.10186	15.8
111.08079	5.1
115.05470	4.8
117.07026	15.0
119.07728	2.8
119.08585	55.0
120.09442	3.0
121.06516	9.6
121.10127	22.9
123.00590	2.4
123.08089	18.5
125.09636	9.0
127.05413	2.8
128.06227	7.4
129.07011	16.8
130.07808	5.7
131.08571	34.5
132.09311	3.0
133.06487	3.8
133.10127	23.7
135.08044	10.8
135.11691	9.8
137.09613	7.3
139.11198	7.2
141.07008	5.0
142.07793	14.8
143.08568	27.4
144.09322	9.9
145.06485	5.5
145.10141	48.4
147.08057	20.0
147.11700	9.9
149.09625	9.4
151.07532	8.6
155.08559	11.4
155.10617	5.5
156.09363	11.4
157.10133	48.9
158.10902	10.6
159.08083	8.0
159.11688	26.7
160.08829	10.6
161.09598	8.5
161.13281	5.3
163.11189	8.8
165.07031	3.8
165.09145	27.1
167.08565	6.5
167.10693	3.4
168.09416	4.1
169.10129	13.1
170.10872	6.4
171.07977	3.0
171.10333	3.8
171.11676	19.7
172.12421	6.9
173.09651	7.4
173.13303	12.1
175.09737	2.4
175.11186	17.9
177.12735	2.7
179.08530	6.2
180.09386	4.0
181.10101	7.5
181.12238	15.2
182.10925	5.9
183.11714	15.2
185.09605	3.4
185.13248	9.3
187.11186	6.8
187.14824	4.7
189.12735	7.8
190.13542	8.3
191.10681	4.5
191.14432	3.3
193.10260	5.7
193.12234	6.1
195.11681	12.1
195.13635	5.1
196.12311	3.6
197.13266	14.8
198.13998	2.9
199.11154	4.7
199.14851	5.0
201.12862	4.6
203.14308	13.1
206.11124	2.6
207.11661	6.8
207.13800	8.6
208.12717	3.6
208.14581	11.8
209.13278	13.3
209.15031	3.2
210.13846	2.6
211.11133	3.8
211.14844	11.4
213.12823	6.2
219.13826	5.0
221.13374	5.1
221.15364	62.6
222.13814	2.5
223.14839	5.1
225.12823	4.9
225.14851	10.8
225.16713	4.0
227.14409	4.8
231.13828	5.1
233.13309	3.7
233.15280	13.0
234.16124	15.0
235.14764	5.4
237.12781	5.3
237.16483	4.2
247.14719	3.0
247.17039	12.3
249.16388	3.0
251.18027	4.5
253.15886	4.0
260.17776	3.1
265.16132	2.6
267.17563	3.5
271.17093	5.2
279.21518	2.7
281.15417	2.7
281.18759	3.0
285.18463	3.2
286.19269	7.3
287.20071	53.7
288.20535	3.5
297.18536	3.8
299.20242	14.1
303.19852	3.6
312.20935	4.6
313.21509	3.3
325.21793	13.1
329.21173	3.6
337.21655	10.3
339.23184	7.0
352.23996	82.0
353.24573	3.8
365.24814	12.5
367.26407	4.2
391.26590	3.9
395.25873	7.6
465.39328	3.1
472.31918	8.6
524.35168	3.4
525.35602	8.9
538.36450	100.0
600.40845	3.6
618.42615	19.5
619.42871	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	618.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88581	4.1
53.03935	4.9
55.05513	38.3
56.18534	4.3
57.07072	12.4
59.05017	6.2
65.03934	5.7
67.05508	40.1
69.03426	14.3
69.07069	23.0
71.04987	11.3
71.51447	5.9
76.50321	3.6
79.05497	44.6
81.07069	56.4
83.04985	17.3
83.08621	67.8
85.06548	10.4
87.04454	7.5
91.05490	59.9
93.07050	75.4
93.89344	3.7
94.07332	5.3
95.04983	27.5
95.08607	38.4
97.06532	23.4
99.04469	7.8
103.05486	4.1
105.07043	100.0
107.04999	8.2
107.08604	75.3
109.06526	14.9
109.10177	30.2
111.08089	8.9
113.09680	11.8
115.05472	6.5
117.07037	27.4
119.04977	4.1
119.06057	4.5
119.08592	96.2
121.06516	15.7
121.10142	56.8
121.40437	3.9
122.10467	5.4
123.08058	22.2
123.11726	6.5
125.09632	15.8
128.06219	18.2
129.07002	22.5
130.07808	10.2
131.08583	48.3
132.09261	5.1
133.06497	4.7
133.10130	53.5
134.10477	5.5
135.08054	14.3
135.11673	13.5
137.09636	9.9
139.11189	14.0
141.07053	9.8
142.07782	28.2
143.08563	58.4
144.09323	14.6
145.06459	6.7
145.10132	76.2
147.08058	10.9
147.11734	22.0
149.09636	14.7
149.13222	3.7
151.07535	5.2
151.11215	4.3
153.07039	4.8
154.07855	4.7
155.08582	18.5
155.10620	15.5
156.09329	18.8
157.10158	60.3
158.10860	11.8
159.08080	18.5
159.11720	34.0
160.08878	19.5
161.09616	15.4
161.13274	5.7
163.11201	14.4
165.07014	8.5
166.07758	5.6
167.08539	11.1
167.10693	11.9
168.09261	10.8
169.10114	29.2
170.10901	9.5
171.10313	9.4
171.11710	32.1
173.09644	10.0
173.13298	19.0
175.11218	10.5
177.12706	5.5
179.08592	14.0
179.14366	5.0
181.10155	17.9
181.12175	26.4
182.10860	13.2
183.11699	27.7
184.12416	8.2
185.09592	5.1
185.13286	24.2
186.14020	4.8
187.11172	9.8
187.14830	8.3
189.12773	8.1
191.14302	10.2
193.10097	12.0
194.10976	8.4
195.11751	24.0
195.13535	5.2
196.12486	11.4
197.13235	34.5
199.11163	5.9
199.14850	18.6
200.78397	4.5
203.14275	7.9
205.10202	6.0
206.10916	6.5
207.11703	17.0
207.13744	9.8
208.12439	7.8
209.13333	25.5
211.11258	4.8
211.14853	18.8
212.15414	4.8
213.12813	8.8
215.14320	11.1
217.15869	4.5
219.11682	7.0
220.12375	4.1
221.13258	15.1
221.15439	31.8
222.15736	6.3
223.14839	13.4
225.14865	14.5
225.16713	5.6
226.16994	4.3
233.13390	6.6
233.15355	33.4
234.13806	7.3
235.14938	6.9
237.16370	9.3
247.14757	5.4
247.17026	6.6
249.16423	8.1
251.17842	4.8
255.17419	26.8
257.18967	5.9
259.14841	4.8
261.16391	9.6
263.17984	11.3
265.19708	4.9
269.19104	10.0
270.19733	6.6
282.19797	6.0
285.18536	4.9
286.19406	7.6
287.20178	7.3
294.58762	4.5
299.20197	9.3
331.24237	6.0
351.23407	5.1
367.26291	8.6
383.25851	8.4
490.40994	4.7
582.40875	9.0
600.41290	9.6
618.24023	6.2
618.42395	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	618.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	3.4
51.17906	2.7
53.03949	8.3
55.01871	6.0
55.05517	56.1
57.03450	4.2
57.07065	9.4
65.03904	3.0
67.05510	32.3
69.03437	11.7
69.07084	20.3
70.71149	7.7
71.04998	4.7
79.05511	39.6
81.06651	5.1
81.07066	53.6
83.04993	19.3
83.08630	64.4
85.06535	6.6
86.09730	3.2
87.04498	7.3
89.06027	8.0
91.05485	53.5
93.07053	67.8
95.04961	29.2
95.08619	33.2
97.06522	21.1
99.04453	6.9
103.05450	6.7
105.07042	100.0
107.04976	4.1
107.08610	65.3
109.06512	16.0
109.10170	23.4
111.08095	9.5
113.09659	13.7
115.05464	7.3
117.07018	22.9
119.08592	74.5
121.06509	15.8
121.10160	59.6
123.08089	18.9
123.11688	7.9
125.09699	17.8
126.10490	3.5
128.06245	17.6
129.07031	23.7
130.07765	13.0
131.08591	45.5
132.09366	5.2
133.06499	5.1
133.08595	5.8
133.10152	57.5
135.08073	10.6
135.11688	13.7
137.09598	10.6
139.11205	16.3
141.06981	17.7
142.07817	29.6
143.08589	54.4
144.09335	12.7
145.06448	7.0
145.10138	73.1
147.08095	16.7
147.11684	22.4
149.09615	14.7
149.13254	4.8
153.06975	3.7
154.07750	5.0
155.08574	19.7
155.10643	11.1
156.09396	21.0
157.10149	72.0
158.10902	9.9
159.08066	15.0
159.11722	36.8
160.08846	15.0
161.09613	13.5
161.13292	9.1
163.11205	11.9
165.06979	6.8
165.09113	5.0
167.08604	9.8
167.10762	16.9
168.09369	9.4
169.10141	39.4
170.10889	8.2
171.08040	4.2
171.10260	7.7
171.11664	40.8
173.09647	11.7
173.13319	16.3
175.11194	14.1
175.14861	8.4
179.08575	10.3
179.14299	8.8
180.09210	4.3
181.10135	15.4
181.12242	27.4
182.10922	13.6
183.11703	25.4
184.12520	5.0
185.09708	6.5
185.13246	22.2
186.14061	5.2
187.11156	10.3
187.14836	14.1
189.12733	8.7
191.14333	12.5
192.09367	5.3
193.10168	17.4
194.10910	9.0
195.11722	25.0
195.13330	5.1
196.12560	7.9
197.13304	37.5
198.13806	4.1
199.11166	5.4
199.14809	13.4
201.12704	3.8
201.16368	4.7
203.14296	5.8
205.10109	6.1
206.10892	4.6
207.11716	8.9
207.13814	10.0
208.12483	9.6
208.14386	4.5
209.13318	27.2
210.13925	3.7
211.14925	17.3
213.12779	11.8
213.16394	7.8
215.14433	18.6
215.16066	3.6
219.11803	8.3
221.13257	16.0
221.15396	21.0
223.14833	11.6
225.12712	8.2
225.14861	19.2
225.16736	6.5
227.14211	6.5
229.15746	4.5
231.11713	3.9
233.13220	10.5
233.15405	39.4
235.14842	12.2
237.16422	14.2
241.15810	3.4
243.17502	4.1
245.13307	7.2
246.16245	4.6
247.14822	5.3
247.17093	3.8
249.16336	9.9
251.17876	4.6
253.15979	4.1
255.17464	32.4
259.14761	4.1
260.15677	3.5
261.16342	9.3
263.17984	6.7
265.19443	5.4
267.17593	4.0
268.18314	4.0
269.19040	7.7
270.19733	11.0
273.18741	4.0
275.17825	6.2
281.19031	7.0
287.20334	5.5
289.19659	7.2
299.20120	9.5
312.20685	3.4
333.21927	4.7
337.25183	6.9
349.25305	4.0
365.24655	5.5
367.26474	4.1
383.25958	9.1
457.31039	4.7
600.41626	5.7
618.42383	13.0
628.83875	3.6
630.52130	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	618.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
54.89461	2.2
55.01870	6.2
55.05515	45.7
57.07072	8.8
59.04990	3.1
65.03946	4.8
67.05511	31.5
69.03442	12.5
69.07069	20.6
69.22295	19.7
71.05001	11.0
77.87749	2.3
79.05504	32.8
80.06287	3.3
81.03404	2.9
81.07064	43.9
83.04987	22.5
83.08621	56.7
85.06548	8.6
86.06057	3.6
87.04473	10.8
91.05488	63.9
93.06482	4.6
93.07049	70.8
95.04964	30.6
95.08612	34.3
95.85885	2.3
97.06548	21.9
97.10143	2.5
98.20773	4.7
99.04446	7.6
99.08042	2.1
102.05546	4.0
103.05475	5.0
103.54768	2.1
103.88345	2.3
104.07104	12.0
104.10791	11.4
104.11378	2.2
105.04502	3.2
105.07036	100.0
106.07848	3.8
107.04948	9.2
107.08601	69.5
109.06539	15.5
109.10153	28.2
111.08099	6.3
113.05989	3.1
113.09643	10.2
115.05456	10.0
115.69545	2.0
116.06224	5.2
117.07024	27.2
117.34454	2.4
118.07861	2.5
119.04977	2.3
119.08590	89.6
120.09361	3.6
121.06529	13.5
121.10154	52.7
123.08078	18.3
123.11702	8.2
125.09632	19.2
126.60527	2.2
126.64600	2.0
128.06224	17.1
129.06992	23.0
130.07771	11.3
131.08572	51.1
132.09354	3.7
133.06525	3.7
133.10147	53.1
134.10851	2.0
135.08032	16.4
135.11697	10.0
137.09624	8.4
139.11197	13.7
141.07021	11.3
141.09166	3.0
142.07805	26.2
143.08566	53.4
144.09349	12.8
145.06485	7.3
145.10138	66.4
147.08070	17.7
147.11696	24.2
149.09660	11.9
151.07542	3.1
151.11160	5.2
153.06963	6.4
154.07777	3.4
155.08586	23.5
155.10670	17.6
156.09369	21.3
157.10141	68.2
158.07323	3.8
158.10899	8.4
159.08069	16.0
159.11681	37.3
160.08836	13.1
160.12497	3.2
161.09615	14.2
161.13307	5.5
163.11189	6.5
165.07005	8.9
165.12752	4.1
166.07756	5.1
167.08589	13.3
167.10724	17.3
168.09320	8.9
169.10139	34.3
169.12244	2.8
170.10884	7.8
171.10255	3.4
171.11668	32.8
172.12476	4.6
173.09616	9.9
173.13281	17.5
175.11168	11.8
175.14886	4.3
177.12677	3.2
179.08591	12.7
179.14264	6.5
180.09448	5.2
181.10162	20.5
181.12222	24.4
182.10893	12.4
183.11699	27.3
183.13385	3.1
184.12491	6.5
185.09633	4.9
185.13252	20.9
187.11211	4.7
187.14816	11.0
189.12759	4.8
190.13475	5.0
191.14333	8.9
192.09297	4.4
193.10141	17.8
194.10921	8.0
195.11720	28.0
196.12500	9.5
197.09538	3.3
197.13261	39.8
199.11224	8.0
199.14842	13.8
201.12875	3.5
201.16318	3.1
203.08690	2.8
203.14337	7.6
205.10207	4.5
206.10924	7.5
207.11723	16.4
207.13664	4.1
208.12517	10.1
208.14415	3.1
209.13306	23.1
209.15196	5.2
210.13971	4.7
211.14807	18.4
212.15547	3.5
213.12796	7.5
213.16397	8.2
215.14384	19.1
217.10130	4.5
217.15843	3.2
218.16682	4.3
219.11697	7.8
220.12512	6.4
221.13286	12.6
221.15363	21.5
222.14027	5.4
223.11394	4.1
223.14844	18.6
225.12764	5.5
225.14821	10.3
225.16493	7.2
227.14355	7.2
229.10287	2.7
229.15710	3.5
231.11754	6.9
231.17444	3.2
232.12436	3.9
233.13242	9.0
233.15376	39.1
234.14072	4.8
234.16232	3.7
235.14809	11.7
236.15591	3.7
237.12776	3.7
237.16525	11.2
239.14386	5.6
239.18130	2.9
241.15851	4.7
243.17480	2.8
244.12392	3.1
245.13344	6.2
245.15663	2.6
246.14066	5.0
246.16292	4.4
247.14838	8.0
247.16945	6.9
249.16408	9.3
251.14180	3.3
251.17961	8.4
253.19398	3.6
255.17485	36.0
259.14835	3.3
260.15628	2.9
261.16415	9.2
263.17984	6.8
265.19711	5.1
267.17456	3.2
269.19064	6.3
270.19748	6.4
271.17322	2.7
271.20584	6.5
272.36832	2.8
273.18695	5.6
275.17810	4.8
277.19391	4.6
281.19000	7.1
283.01685	3.3
283.20572	5.3
285.18762	3.4
286.19293	5.0
287.20294	5.0
289.19714	2.8
295.20599	3.5
297.21939	3.6
299.20099	6.5
307.20401	3.7
311.20001	3.6
325.21838	2.9
331.24088	6.1
335.23608	2.8
337.25040	4.3
347.23520	4.1
349.25159	5.4
357.80536	2.7
360.24503	5.8
365.24796	6.8
367.26135	5.7
383.25879	12.5
399.26758	2.6
401.28531	2.8
414.28531	3.2
414.51743	2.3
429.31827	3.3
457.30939	3.9
582.40814	2.9
600.41473	4.5
618.42706	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	619.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22886	1.2
52.37490	1.3
53.03938	4.1
55.01864	3.5
55.05513	16.0
57.03425	5.7
57.07063	3.9
57.84998	1.1
58.59359	1.1
65.03938	3.6
66.62634	1.0
67.05508	50.6
69.03432	27.3
69.07066	11.5
69.39059	1.7
69.39402	11.1
71.04967	3.9
74.39778	1.2
79.05068	2.2
79.05496	24.9
81.03421	13.5
81.07062	32.3
82.32114	1.1
83.04967	4.7
83.08614	5.7
85.02910	2.8
85.06555	2.1
87.04470	10.3
88.04812	1.6
88.98625	1.3
91.05490	23.8
93.06491	2.2
93.07053	31.6
95.04974	9.0
95.08611	100.0
97.02882	3.1
97.06553	6.7
97.10168	2.3
99.04417	1.9
103.05459	1.3
105.04508	1.9
105.06391	2.0
105.07045	23.3
107.04956	3.4
107.08601	16.7
109.02876	3.1
109.06499	4.7
109.10143	8.4
109.72050	1.2
111.04444	5.3
111.08086	3.2
113.05978	1.6
115.05491	2.6
117.07037	12.7
119.08599	16.9
120.65979	1.3
121.06485	3.2
121.10148	9.9
123.08080	12.9
123.11744	3.1
125.05971	1.4
125.09613	1.7
127.03842	2.5
128.06200	1.3
129.07028	6.3
130.07399	1.3
131.08595	12.0
133.06477	2.7
133.10135	11.2
135.08035	4.8
135.11668	6.4
137.09622	2.0
141.06973	2.8
141.09085	4.8
142.07741	1.5
143.08568	6.3
145.06497	2.7
145.10121	10.8
147.08061	2.5
147.11697	7.4
149.09601	4.3
149.13246	4.1
151.07504	1.7
153.09064	1.6
155.08559	2.8
157.10149	6.6
159.08028	3.6
159.10359	8.1
159.11485	7.6
161.09602	2.7
161.13268	3.7
165.09061	1.9
167.08545	1.7
169.10138	2.7
171.08052	1.5
171.11674	4.5
173.09642	1.8
173.13260	3.4
175.11172	3.5
175.14854	2.1
177.12784	1.8
181.10089	1.7
183.11725	2.8
185.09633	1.6
185.13264	3.9
187.14749	1.6
195.11760	1.8
197.11716	1.7
199.11180	1.7
199.14740	1.8
203.14450	1.5
209.13203	1.3
211.11250	1.6
215.12788	13.3
215.14565	1.7
221.13202	2.3
221.15419	1.6
224.02969	1.5
247.17018	1.3
259.20584	2.2
277.21573	2.3
285.13831	1.3
287.19870	1.7
299.20065	1.9
301.21460	6.4
306.78503	1.4
319.22662	1.5
327.23309	1.5
341.24786	2.1
345.24289	2.8
351.23279	4.8
357.24167	1.5
369.24249	7.3
387.25217	4.2
443.28125	2.2
461.29095	3.7
475.33383	1.4
521.33966	2.1
583.36731	2.1
601.36951	5.6
619.37213	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	620.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.7
55.01869	15.7
55.05507	19.3
55.94489	7.0
57.03424	14.4
67.05508	54.1
69.03437	46.8
69.07059	21.0
69.75759	12.4
69.76177	25.4
73.02916	13.6
79.05480	32.0
81.03427	40.1
81.07057	54.9
83.04969	6.9
85.02908	100.0
87.04436	7.0
91.05488	35.6
93.07063	41.8
95.04977	15.6
95.08634	38.6
97.02897	35.2
98.21509	8.4
99.04442	16.5
101.02367	11.4
105.07006	24.2
106.78169	7.0
107.04958	10.7
107.08586	26.6
109.02901	11.5
109.10155	24.1
111.04456	8.0
117.07008	12.5
119.08546	16.3
121.10149	22.0
127.03930	55.3
129.06934	9.2
131.08586	13.8
133.10156	14.2
135.11713	14.5
143.08580	10.6
145.04958	31.5
145.10161	23.5
147.11713	13.5
149.02339	32.3
149.13278	8.6
157.10133	11.4
159.11690	14.8
161.13332	7.9
163.14807	10.2
169.10071	8.4
173.13322	17.3
180.08696	12.0
193.05055	14.6
211.41167	8.0
235.88983	6.4
261.22137	7.0
273.22318	11.2
277.21796	8.2
291.23129	10.4
303.23163	18.3
315.23239	11.0
351.23123	11.0
369.24353	41.8
387.25458	32.8
405.26428	35.2
420.23697	7.4
514.54797	7.4
621.15546	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	620.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.3
55.06007	11.2
63.53135	10.8
67.05513	12.2
69.03429	93.9
69.07075	13.1
69.17717	99.2
78.95570	9.7
79.05492	27.5
81.03407	12.2
81.07053	67.9
91.05483	25.4
93.07026	16.0
95.04964	9.4
95.08615	21.5
98.20802	22.3
99.21427	10.3
105.07019	24.2
107.08589	30.7
109.06515	28.1
119.08595	15.1
121.10165	17.3
131.08562	14.8
133.10147	28.0
135.07986	10.5
143.08519	13.9
145.10109	22.7
147.11688	11.4
149.09712	12.9
155.07062	27.7
157.10190	27.7
159.11720	14.8
161.09663	14.0
168.31248	10.2
171.11714	20.7
173.13264	14.4
185.13313	15.2
209.13321	14.4
223.14743	13.5
243.13875	11.7
351.23279	12.9
369.24219	11.3
393.24124	19.4
411.25323	37.7
471.27567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03949	9.2
55.01861	2.7
55.05510	1.0
57.03439	1.0
58.72528	0.8
60.04512	2.3
64.30811	0.9
65.03924	1.5
67.05486	2.4
69.03144	0.9
69.03439	10.6
69.07048	1.2
70.19859	0.8
71.04984	3.4
79.05494	1.0
81.03423	42.2
81.07058	1.9
82.80927	0.8
83.01343	2.2
83.04964	1.2
85.02921	5.6
91.05486	80.1
93.07040	1.4
95.04994	1.1
95.08585	0.9
97.02898	20.3
99.04463	7.7
99.62325	0.8
103.03967	1.1
105.03355	2.1
105.07018	3.8
107.04932	1.0
107.08613	0.9
108.65545	0.9
109.02888	65.1
109.10146	1.5
110.03658	1.4
111.04426	2.6
112.99358	1.0
115.05447	9.0
117.06998	6.2
119.04964	1.0
119.08631	0.9
121.02903	1.0
123.04488	1.2
125.02341	2.5
127.03924	100.0
129.06990	0.9
133.06516	8.4
138.13823	0.8
139.03944	1.4
141.05464	1.0
143.04924	4.5
145.04974	2.4
145.06445	2.3
147.08067	1.8
161.05989	78.1
169.04982	19.7
171.04424	10.0
171.08096	1.4
179.07045	11.3
187.06093	1.6
189.05525	4.8
199.07536	3.2
205.05009	1.5
217.04944	3.6
223.07597	5.9
229.07021	4.3
235.06129	1.9
243.10246	2.1
251.06912	0.9
253.07050	2.6
269.08105	1.7
287.09183	4.9
290.26901	2.4
299.67181	0.9
305.10205	2.4
315.08560	2.5
511.34433	1.0
559.84314	1.0
574.93335	1.0
581.40027	1.1
603.17133	1.9
621.18811	1.3
621.31934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05500	3.5
57.07071	2.5
62.69786	0.9
63.16261	0.9
67.05186	1.0
67.05499	6.6
68.67307	0.9
69.03427	2.3
69.07067	5.5
70.06585	7.9
70.91195	2.4
71.04993	5.4
72.08137	1.5
78.95947	0.9
79.05489	2.4
81.03440	1.2
81.07071	5.4
83.04993	1.0
83.08627	1.2
84.04529	1.5
84.08159	3.8
85.02920	6.1
85.06533	1.2
86.09718	6.2
88.20425	0.9
89.06032	2.8
91.05486	7.1
91.48055	1.0
93.07042	4.2
95.08613	19.2
97.02926	1.9
103.05476	2.0
105.07051	10.7
107.04951	2.7
107.08604	3.5
109.02872	1.2
109.10168	17.2
110.07186	1.6
117.07053	1.0
119.08591	40.1
120.08113	2.1
120.08947	1.1
121.10126	4.1
127.03913	3.0
129.05504	2.2
129.10217	2.1
131.04970	2.0
133.09117	2.1
133.10139	44.2
135.11688	8.1
136.07626	1.7
137.06055	1.2
137.09650	6.8
145.10121	3.6
147.04431	3.4
147.11699	10.5
149.02345	3.9
149.13269	2.5
151.14830	2.3
160.12541	1.9
163.03917	1.7
163.07588	1.9
173.13177	1.0
175.14835	100.0
176.15115	2.2
177.05476	1.3
179.07068	1.2
181.04898	1.6
193.15906	24.4
400.86053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	9.9
55.01865	1.6
64.84322	1.5
67.05498	2.9
69.03421	3.2
69.07040	1.3
69.30132	9.6
70.06594	1.6
70.78763	1.1
71.04972	2.4
72.83118	1.3
79.05501	1.9
81.03426	32.8
81.07004	1.5
85.02930	6.9
85.18877	1.2
86.00573	1.3
91.05481	4.0
95.04984	3.0
95.08620	1.6
95.60747	1.3
97.02908	8.5
97.03429	1.4
99.04463	15.3
100.57330	1.4
103.03993	8.6
103.05473	43.7
105.07091	1.8
109.02889	63.4
119.08572	1.5
127.03930	100.0
131.04939	94.8
137.05992	1.9
139.03851	1.8
145.04991	7.9
169.04990	20.5
182.53197	1.4
187.06030	23.1
229.07077	19.7
245.48766	1.3
328.09045	1.4
422.76306	1.4
623.33539	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58841	1.2
53.03949	5.3
55.01877	6.9
55.05518	18.5
57.03427	8.1
61.02927	28.8
65.03932	3.6
67.05505	39.9
68.30092	1.6
69.03427	11.1
69.07069	13.5
71.04990	2.8
73.02902	9.6
79.05493	27.9
81.03414	7.1
81.07056	37.7
83.04981	4.9
83.08630	13.5
85.02902	21.9
85.06563	2.7
91.03970	12.7
91.05486	48.9
91.74759	1.6
93.07047	32.4
95.04972	6.7
95.08617	22.4
97.02888	13.9
97.06524	6.0
97.10172	3.9
98.20750	5.3
98.21465	6.9
99.04447	2.7
99.08115	1.5
103.05474	3.1
105.07031	34.5
107.04951	11.1
107.08595	12.6
108.71738	1.5
109.02869	3.1
109.06524	4.5
109.10162	10.0
111.08088	3.0
113.80732	1.4
115.05464	4.2
117.07017	28.4
118.33199	1.5
119.04924	3.1
119.08588	16.7
121.06495	6.9
121.10157	9.8
123.08091	3.6
125.09627	3.1
127.03931	5.8
128.06221	7.1
129.07016	35.2
131.04924	2.3
131.08569	36.6
133.06502	6.8
133.10126	15.2
135.08049	6.6
135.11671	5.0
137.06006	3.7
137.09573	3.3
138.62730	1.2
139.11127	1.4
141.06990	16.8
142.07819	3.6
143.08565	32.6
145.04979	2.4
145.06479	9.7
145.10114	17.0
147.08028	6.0
147.11711	4.8
149.09630	6.5
149.13322	2.9
151.11182	2.4
153.07005	3.9
154.07796	2.2
155.06104	1.4
155.08563	22.2
157.06516	3.5
157.10138	17.0
159.08084	5.1
159.11696	12.4
161.09618	4.1
161.13327	2.3
163.11165	3.6
164.91292	1.5
165.06961	1.8
166.07672	1.8
167.08554	10.1
168.09358	1.6
169.10124	16.4
171.08081	2.9
171.11716	13.0
173.09618	5.1
173.13225	2.7
175.11253	3.4
177.12704	4.1
179.08597	6.9
180.29141	1.7
181.10129	14.1
183.11716	11.6
185.09633	5.1
185.13286	8.7
187.11259	2.4
187.14906	2.6
189.12791	2.1
193.10179	5.3
193.12097	1.6
195.11710	12.2
195.13341	2.1
197.13249	6.8
199.11223	2.6
199.14972	2.3
201.05302	1.6
201.12608	2.9
203.14342	2.3
205.12244	1.6
207.11646	4.3
209.13246	3.9
211.11163	2.0
211.14818	6.5
213.12801	4.0
213.16388	2.4
215.10747	1.4
215.14308	5.6
219.11787	1.8
221.13318	10.5
223.14859	10.1
225.12737	2.5
225.16437	3.4
227.14330	3.0
231.13745	2.1
233.15417	1.9
235.14821	5.6
239.14323	6.6
245.15468	2.4
249.16431	2.7
253.15923	4.1
257.15359	4.9
259.17145	1.8
267.17395	1.8
271.16983	4.9
285.18518	2.1
305.22638	1.9
315.20969	4.2
323.23666	6.3
333.22128	15.8
341.24960	8.6
351.23212	42.2
369.24255	33.3
387.25241	19.6
389.24576	2.3
425.27130	8.0
433.29141	1.9
443.27954	100.0
444.28018	2.6
461.28998	52.9
599.33075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1555
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03951	0.6
53.96293	0.4
55.01890	0.3
57.03445	0.4
58.51703	0.3
63.02376	0.5
68.25697	0.3
69.03417	2.4
70.06592	0.7
70.31360	1.2
71.05009	0.5
75.66742	0.3
78.04726	0.5
79.05497	0.6
81.03406	3.9
84.08134	0.4
85.02894	2.1
86.09721	0.5
89.03917	6.4
89.04431	0.6
91.05477	1.5
93.07079	0.5
95.08587	0.5
97.02891	0.4
97.69967	0.3
103.05442	0.4
105.07048	1.0
106.04229	0.5
107.04945	1.3
107.93808	0.3
109.02891	1.6
112.77769	0.4
117.03382	22.4
119.04952	0.8
119.08605	0.5
121.02863	0.9
121.06519	0.4
123.04443	0.4
127.03902	1.6
131.04955	0.4
131.08504	0.4
133.10127	0.3
134.03633	2.0
135.04420	1.3
137.05966	1.0
145.02849	50.3
145.10217	0.3
146.03154	0.3
147.04449	0.7
148.07768	0.4
149.05989	7.7
151.03905	0.7
153.01830	1.0
158.05984	0.4
161.05974	0.4
163.03897	1.0
165.01842	0.7
167.07010	0.8
175.07504	0.4
177.05473	100.0
178.05832	0.5
179.07001	0.3
181.04933	1.0
183.02948	0.6
186.05522	1.3
191.07082	0.4
195.06473	1.0
207.06551	0.6
287.05505	24.5
303.96692	0.4
321.09644	6.3
329.06522	0.7
339.10654	2.8
416.14603	0.8
566.16254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29355	2.0
58.04008	2.2
58.34755	2.4
59.74891	1.9
65.88773	2.2
69.39558	17.0
81.03419	2.6
85.02901	5.6
109.02914	2.7
121.02908	2.9
137.02322	7.5
149.05980	9.0
151.03928	25.6
151.05022	4.2
175.03918	4.3
177.01785	2.4
177.05388	2.4
189.01871	8.1
191.03331	4.3
195.02919	4.0
203.03445	6.5
207.02989	6.0
212.01733	2.0
215.03394	3.5
217.04948	4.2
219.02950	5.1
221.04491	3.3
227.03360	3.8
245.04607	2.2
257.04514	2.4
267.02887	2.3
273.03879	2.3
283.05771	2.8
295.05859	3.7
296.06808	4.2
298.08469	5.2
308.06726	3.6
309.07544	4.4
310.04727	14.9
310.08047	3.4
311.05527	2.7
311.09073	2.4
312.06470	4.3
313.06909	5.3
322.04736	8.4
322.08279	3.3
323.05554	3.1
323.09097	2.8
324.06277	17.3
325.07092	75.3
326.07861	4.7
327.08704	5.6
334.08096	2.4
336.06320	9.1
337.07104	43.6
338.07816	16.1
339.05078	2.7
339.08566	10.5
340.05707	5.5
343.08133	6.0
348.06247	3.6
349.07135	6.0
350.07928	4.7
351.05469	2.3
351.08743	20.8
352.05722	7.7
352.09460	6.7
353.06445	3.4
353.10358	3.7
355.08139	100.0
356.08444	2.6
362.07770	4.7
363.08615	5.6
365.06409	2.6
365.10275	12.3
366.07175	7.1
367.08136	54.1
369.09680	3.0
375.08545	3.6
377.10199	7.7
379.08203	27.0
380.09045	4.2
381.09705	20.7
385.09174	21.4
391.07947	15.4
393.09647	8.0
395.11462	13.6
397.09158	4.6
403.08200	6.3
405.09686	10.0
409.09235	60.7
415.07742	2.6
417.09561	3.1
419.11487	3.5
421.09238	24.3
431.11691	2.7
433.09113	19.8
439.04648	4.3
439.10254	46.9
447.10419	3.2
451.10367	24.5
457.11322	40.9
463.10632	3.0
469.11429	37.9
475.11465	7.2
487.12393	87.7
488.12982	3.9
493.11218	6.0
505.13394	18.1
511.12445	30.6
523.12677	3.0
529.13300	19.5
535.12286	7.9
541.13483	25.4
553.13586	23.3
559.14575	12.7
571.14331	28.9
589.15424	22.9
607.16559	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	625.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63176	1.2
53.03948	2.1
55.01882	2.6
55.91241	1.3
57.03439	3.1
61.02905	1.3
62.37044	1.2
68.99797	1.6
69.03441	2.5
70.06593	6.0
71.02592	2.0
71.02934	2.0
81.03413	4.6
84.08126	2.2
85.02901	8.4
86.09719	2.1
93.03411	3.1
97.02883	2.3
103.03941	2.5
103.05447	2.8
107.04962	3.8
109.02870	3.0
121.02876	1.7
121.57880	1.3
127.03937	9.1
129.35564	1.4
131.04918	2.5
137.02362	6.0
147.69852	1.2
148.09126	1.4
149.05986	8.2
151.03918	25.8
151.05042	1.4
161.02312	1.6
161.05992	2.2
163.03958	3.8
171.04465	1.5
172.03592	1.2
174.03137	1.6
175.03899	2.6
177.01875	3.6
177.05412	1.7
179.03389	2.7
181.05006	1.3
182.13564	1.3
187.03941	1.5
189.01833	9.4
191.03381	3.2
195.02908	3.9
203.03386	6.6
207.02901	8.2
207.94701	1.4
217.04901	4.1
219.02928	11.0
221.04396	1.8
229.05025	2.9
231.02916	2.2
233.04425	2.5
243.02971	2.2
253.04872	2.8
255.02872	3.4
257.04483	2.3
267.06488	2.6
273.04028	1.7
281.04651	1.6
281.08206	1.8
282.05313	1.8
283.05954	2.0
284.06967	2.6
285.03940	3.3
294.05313	2.6
295.06046	2.8
296.06647	3.4
297.07559	4.7
298.04895	2.1
298.08368	3.9
301.07211	1.8
308.06567	2.5
309.04230	3.3
309.07626	6.5
310.04755	10.1
310.08102	2.8
311.05713	3.0
311.09164	5.1
312.06168	6.7
313.07043	7.5
314.07761	2.2
322.04755	8.6
322.08218	3.1
323.05490	6.6
323.08908	2.5
324.06262	23.0
325.07059	71.6
326.07742	6.5
327.08511	7.5
328.06134	2.0
334.04776	2.2
334.08496	3.0
335.05508	1.9
335.09213	2.4
336.06213	9.6
337.07065	49.1
338.07767	11.8
339.05127	2.1
339.08661	12.4
340.05795	4.2
343.08173	4.4
348.06311	4.3
349.06992	6.7
350.07889	8.6
351.08679	20.0
352.05646	7.3
352.09055	7.8
353.06491	2.7
353.10388	3.1
355.08133	100.0
356.08246	2.0
361.06989	2.6
362.07776	4.1
363.08725	7.3
364.09637	2.0
365.06436	2.2
365.10300	12.9
366.07382	5.9
367.08099	52.2
369.09735	3.0
375.08640	3.1
376.05444	2.6
377.10214	10.4
379.08093	29.6
380.08774	4.2
381.09726	19.0
385.09109	22.1
390.07321	3.7
391.07962	16.6
393.09616	7.2
395.07333	1.3
395.11423	11.6
397.09027	5.2
401.10391	1.5
403.08176	5.9
404.08975	2.2
405.09985	10.4
407.07645	2.1
409.09195	56.3
415.07889	2.3
417.09637	2.2
418.06638	2.2
419.11298	4.0
421.09152	28.6
423.10834	3.3
429.09525	2.4
431.11160	3.4
433.09186	20.1
439.10275	38.5
445.09421	2.7
447.10333	2.8
451.10263	24.6
457.11319	39.7
463.10495	3.9
469.11383	32.4
475.11487	5.4
479.81900	1.6
487.12375	85.7
488.12253	1.9
493.11389	4.1
505.13419	16.1
511.12399	28.4
517.11090	2.9
521.10553	1.5
523.12500	1.8
529.13483	21.6
535.12280	6.1
541.13348	22.1
553.13416	22.5
559.14465	8.9
571.14362	26.5
589.15564	26.4
607.16406	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	625.1766
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03944	0.4
55.05510	0.7
57.03445	2.4
57.52930	0.3
58.81875	0.3
59.06643	0.3
61.02916	0.6
63.52665	0.4
65.03916	0.4
69.03436	1.7
69.90746	1.7
70.06618	0.7
71.05000	11.8
75.04462	0.4
76.65516	0.4
81.03415	0.8
83.04983	0.7
83.08624	0.5
84.03663	0.3
84.08119	0.5
85.02917	16.1
86.09713	0.7
87.04462	0.3
93.03400	0.8
97.02886	1.2
99.04477	0.4
100.11261	1.3
104.96680	0.3
111.04503	0.5
121.02866	0.9
127.03933	0.7
129.05513	3.2
137.02278	0.4
139.03917	0.7
145.04947	0.9
147.06508	1.2
151.03905	0.9
153.01826	5.2
169.18719	0.3
177.05498	0.5
182.15388	1.7
200.09418	0.4
201.05562	0.5
210.14915	1.5
217.05011	0.7
218.05782	0.7
226.28938	0.4
228.04208	0.8
229.04938	2.5
245.04482	1.0
246.05287	1.5
257.04459	2.4
273.03979	1.4
274.04785	3.8
285.04025	3.6
287.05502	2.1
288.18637	0.4
302.04239	9.7
317.06586	100.0
318.06961	1.8
479.11996	0.7
608.39789	0.6
625.42804	0.6
652.82184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00603	2.6
55.05502	8.7
67.05512	24.0
69.07057	7.6
71.27982	3.4
74.67515	2.7
79.05487	16.1
81.07056	16.9
83.08629	3.3
91.05479	23.5
91.29476	2.4
93.07050	19.4
95.08607	12.5
97.10178	2.6
105.06389	3.4
105.07030	25.4
107.08578	13.0
108.66821	2.8
109.06520	4.4
109.10166	5.2
109.42909	2.2
117.07013	10.7
119.08601	15.2
121.10146	6.9
123.11673	3.2
128.06035	2.5
129.06989	8.2
131.08580	23.0
133.10159	6.7
135.11708	3.5
141.06993	4.1
143.08569	8.5
145.10121	11.2
155.08566	4.8
157.10094	7.8
159.11690	6.9
163.11189	2.8
169.10089	4.0
171.11691	5.2
181.10019	2.8
185.13159	2.9
187.14763	2.7
195.11661	3.6
343.26233	5.1
353.24707	9.9
371.25739	13.5
389.26974	12.3
418.12158	2.7
427.28140	3.8
445.29526	100.0
446.29428	3.6
463.30701	19.8
625.26233	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	625.3584
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03942	4.6
55.01875	5.7
55.05503	14.4
57.03429	6.0
60.50346	3.3
62.60883	3.4
67.05505	34.6
69.03410	3.4
69.07055	11.5
70.13230	7.7
70.13613	5.0
71.04991	3.4
79.05496	22.3
81.07063	25.8
83.08621	8.4
84.42960	3.7
85.01677	3.9
91.05474	31.8
93.07057	23.9
95.08620	24.3
98.21468	3.9
105.07034	31.1
107.04945	6.3
107.08585	10.7
109.06565	5.1
109.10173	7.7
117.07002	16.2
119.08585	19.4
121.10137	9.1
129.07007	13.8
131.08569	29.9
133.06493	5.1
133.10118	14.3
135.08044	4.0
135.11678	4.9
143.08589	9.9
145.10162	17.3
155.08522	7.0
157.10127	16.3
159.11668	8.5
167.85895	3.5
169.10086	8.9
171.11754	7.4
173.13220	6.2
181.10133	4.1
195.11658	6.3
196.09158	3.4
278.80380	4.3
335.23819	4.7
343.26373	6.1
353.24750	9.8
371.25879	18.6
389.26749	18.7
445.29535	100.0
446.30121	4.9
463.30737	46.3
491.31525	3.5
617.52417	3.7
625.32080	5.8
625.43268	3.7
636.10040	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.2
53.03953	6.4
53.58456	1.1
55.01872	6.1
55.05270	1.7
55.05519	25.8
57.03437	5.3
57.07085	2.3
65.03945	4.1
67.05512	59.1
69.03438	8.6
69.07076	29.9
70.05359	2.1
70.05775	3.2
71.05001	2.5
79.05502	54.0
80.36565	0.9
81.03431	4.3
81.07065	50.7
83.05000	5.0
83.08626	12.3
85.06571	1.8
91.05490	38.5
93.07055	50.6
95.01305	0.9
95.04983	9.5
95.08616	34.1
97.02905	11.2
97.06541	4.3
97.10183	11.6
102.58485	1.0
103.05532	1.2
105.04545	2.4
105.06522	0.5
105.07047	24.6
107.04973	7.2
107.08611	27.2
109.06512	5.1
109.10172	14.7
111.08108	2.8
115.05456	1.7
116.06298	1.0
117.07039	12.2
119.08598	20.3
120.05746	0.9
121.06530	3.4
121.10155	18.8
123.08098	3.7
123.11757	2.6
124.09604	0.9
125.09650	8.3
127.07542	1.9
128.06215	1.7
129.06999	6.3
130.07809	1.3
131.08583	16.7
133.06540	2.7
133.10139	9.8
135.08083	4.8
135.11708	12.2
137.09622	2.1
141.07031	1.9
143.08589	4.6
145.06456	1.6
145.10144	11.3
147.08046	4.7
147.11700	6.5
149.09683	2.6
149.13292	6.9
151.11205	1.2
153.09175	1.1
155.08604	1.7
157.10083	5.6
159.11687	8.1
161.09686	3.6
161.13278	4.9
163.11284	2.0
163.14868	2.0
165.09163	2.0
169.10138	1.7
169.12384	1.1
171.10365	1.3
171.11751	3.1
173.13292	2.9
175.11264	2.4
175.14902	2.8
177.12845	1.2
181.10127	1.1
183.11760	1.8
185.13319	2.3
187.14896	2.0
189.11279	3.6
189.12863	1.0
195.11916	1.0
195.13832	1.5
197.13255	1.3
199.14848	1.9
201.12930	1.2
201.16350	1.1
205.12270	2.1
211.14906	1.3
223.13283	20.3
227.12917	1.2
227.17967	1.9
243.21310	1.1
245.18996	2.1
245.42596	1.0
255.17419	1.9
261.22174	3.6
273.18555	14.6
284.38351	1.0
291.19568	100.0
306.11609	1.1
317.24948	1.8
335.25867	3.4
347.22128	1.5
365.23459	1.3
365.28348	1.4
449.87607	1.0
527.37842	1.0
607.43500	3.3
625.44659	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.0
55.01876	35.8
55.05275	2.6
55.05517	34.1
57.03444	13.6
57.07074	4.4
58.28180	3.0
65.03952	6.4
66.58435	2.6
67.05184	4.7
67.05512	67.6
69.03448	4.4
69.07072	84.1
71.04972	4.6
71.08624	3.8
71.51510	2.8
79.05505	66.2
81.03431	8.4
81.07065	86.7
83.04984	8.0
83.08643	17.7
85.06561	4.5
91.05487	69.1
91.06025	5.4
93.07051	52.6
95.01317	5.3
95.04993	13.3
95.08621	57.0
95.09189	1.9
97.06532	44.5
97.10169	6.9
99.08101	3.9
104.64235	2.5
105.04552	3.1
105.07040	83.9
107.04974	22.7
107.08603	37.1
109.06527	8.6
109.10175	22.5
111.08140	4.2
115.05473	5.1
117.07030	28.8
119.08594	56.2
121.06496	4.1
121.10143	18.3
123.04417	3.3
123.08112	6.4
123.11758	5.0
125.09643	7.5
128.06194	5.5
129.05527	3.4
129.07045	26.7
131.08559	49.3
133.10141	48.9
133.20061	2.9
135.08084	6.0
135.11703	14.3
137.09656	4.7
141.06984	10.9
142.07814	5.5
143.08592	31.1
145.10139	43.8
147.08023	5.9
147.11708	29.5
149.09608	9.8
149.13281	11.1
154.07814	4.3
155.08560	16.2
157.10159	36.1
159.11690	33.6
161.09674	7.3
161.13289	26.1
163.11221	6.8
165.07082	3.1
167.08640	8.7
169.10143	21.4
171.08038	4.0
171.10265	4.4
171.11670	27.4
173.13295	24.4
175.11247	4.2
175.14882	11.7
177.12840	4.1
179.08653	2.7
179.14337	6.4
181.10170	12.6
183.11696	18.3
185.09662	3.6
185.13269	20.1
187.11183	4.4
187.14890	8.3
193.10191	3.6
195.11700	11.3
197.13293	15.9
199.14923	12.4
207.11821	3.7
209.13321	8.6
211.14880	7.1
213.12749	4.3
213.16475	6.2
217.15921	3.3
219.11880	3.3
221.13336	2.7
223.14963	8.6
225.16376	5.9
235.14839	4.3
237.16489	5.0
239.18039	7.7
241.19574	19.4
245.19237	3.4
251.18008	3.3
257.19058	9.3
259.20590	22.3
273.18591	5.7
275.20068	40.2
315.23431	7.6
333.24277	23.8
334.23267	3.0
339.23141	3.3
347.22461	3.1
349.23798	35.2
393.28433	3.0
419.33249	5.9
435.32788	7.6
437.34268	17.0
493.36667	3.1
501.36047	4.1
509.36520	4.0
511.38361	14.1
513.35956	9.3
515.38727	7.8
527.37299	9.0
529.39032	10.9
533.40161	14.2
551.41174	9.5
555.36804	5.7
556.37634	5.0
607.27051	3.2
607.43658	67.8
625.26978	10.4
625.44720	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	6.7
55.01876	5.9
55.05516	27.2
57.03440	6.2
57.07073	1.8
59.04979	1.1
65.03940	4.4
67.01644	1.0
67.05508	58.2
67.49863	1.0
69.03436	10.1
69.07075	32.3
69.18752	5.3
69.19177	4.9
71.05003	2.2
72.08134	0.9
72.37240	1.0
77.03952	1.1
79.05499	55.5
81.03419	4.4
81.07059	51.9
83.04971	5.7
83.08617	11.2
85.06546	3.2
91.04908	2.1
91.05486	40.2
93.07049	53.3
95.01360	0.9
95.04972	11.0
95.08612	33.4
97.02879	10.2
97.06550	4.7
97.10175	9.6
99.08080	1.4
103.05483	1.2
105.04527	2.6
105.07034	28.0
107.04966	7.3
107.08604	29.9
107.09314	1.9
109.06538	5.0
109.10162	16.4
111.08084	2.8
115.05443	2.4
116.06316	1.2
117.07025	10.3
119.04906	1.1
119.08594	18.1
121.06525	3.1
121.10144	15.3
123.08105	3.4
123.11736	4.2
125.09628	7.0
127.07561	5.3
128.06216	2.0
129.07027	6.6
131.08578	13.6
133.06514	2.4
133.10138	11.4
135.08028	4.9
135.11713	12.8
137.09621	3.1
141.07060	1.5
143.08556	5.2
145.06480	1.5
145.10114	12.8
147.08052	4.1
147.11668	6.5
149.09673	2.0
149.13272	4.8
151.11169	1.9
154.07832	1.1
155.08632	1.4
157.06491	1.2
157.10106	5.3
159.08128	1.5
159.11708	8.2
161.09650	3.3
161.13278	4.0
163.11163	2.6
163.14838	1.6
165.09174	1.7
165.12874	1.1
169.10144	3.0
171.11720	3.6
173.11942	1.0
173.13249	5.1
175.11169	1.8
175.14905	2.8
177.12842	1.3
181.10126	1.1
182.83852	1.0
183.11655	2.2
183.28058	1.1
185.13280	2.1
187.14857	2.0
189.11244	3.3
189.16484	1.0
195.13803	2.7
197.13280	1.5
199.11336	1.2
199.14867	1.4
205.12312	1.0
211.14833	1.8
213.16380	1.7
223.13289	17.8
227.12950	1.7
227.17987	1.9
243.21169	1.4
245.19098	1.9
249.14876	1.7
255.17467	1.4
259.20612	1.2
261.22122	5.4
263.20285	1.1
273.18524	18.2
291.19556	100.0
317.24884	1.9
335.25977	4.0
347.22244	2.4
365.23517	1.2
430.13785	1.1
445.43976	1.0
533.39264	1.3
594.20001	1.0
607.43469	3.8
625.44666	84.8
626.44928	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	625.5347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.05513	17.9
56.44186	1.9
57.03429	1.7
57.07074	6.1
57.37973	1.6
58.48331	1.6
65.03946	2.9
67.05178	3.0
67.05508	36.3
69.07073	33.4
69.68191	9.8
79.05495	29.0
81.07063	100.0
83.08622	14.6
85.06563	3.4
91.04942	1.5
91.05479	32.2
93.06482	3.8
93.07049	59.4
95.04976	5.9
95.08614	86.7
97.10180	8.0
99.08087	1.9
105.07040	55.5
105.84225	1.7
107.08606	72.6
109.10165	56.2
111.11729	3.7
117.07027	8.6
119.08590	56.4
121.10157	48.4
123.08059	2.0
123.11707	23.9
125.09632	5.5
128.06200	1.9
129.07011	5.6
130.07785	2.1
131.08575	23.0
133.10136	42.0
135.11711	36.5
137.13300	5.0
142.07790	4.3
143.08580	14.2
144.09381	3.0
145.10141	27.5
147.11693	34.4
149.13268	25.8
155.08582	5.7
156.09373	3.4
157.10146	19.5
159.11693	39.8
161.13264	26.5
163.14850	14.8
165.12601	1.8
169.10121	10.7
171.11696	19.7
173.13266	29.1
175.14790	15.9
177.16420	8.3
183.11687	11.5
185.13289	15.4
187.14839	19.8
189.16406	13.2
191.18027	3.7
195.11749	3.2
197.13338	9.2
199.14835	13.8
201.16362	13.2
203.18015	10.6
205.19504	2.3
209.13390	5.5
211.14938	11.2
213.16425	13.4
215.17918	13.3
217.19528	6.8
222.19466	2.2
223.14816	4.2
225.16441	5.3
227.17899	9.8
229.19560	6.2
231.21217	2.5
238.55818	1.8
239.17984	5.5
241.19626	6.1
243.21153	5.1
245.22769	2.1
251.17999	4.4
253.19530	4.7
255.21300	5.8
257.22699	4.4
263.17905	3.0
265.19592	2.9
267.21085	7.0
269.22693	4.9
271.24268	3.8
279.20975	3.2
281.22757	2.6
283.24210	4.4
293.22845	2.0
295.24112	2.4
297.25659	3.4
309.25970	2.1
311.27252	2.0
325.28870	3.3
335.27374	2.2
337.28983	2.4
347.27472	2.0
349.28909	2.5
405.30582	2.0
607.52393	17.2
625.53473	83.3
626.53461	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	625.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.05513	19.8
57.07073	5.5
65.03935	5.1
67.05512	46.1
69.07073	36.9
71.04990	1.8
71.10326	1.5
71.29388	2.6
79.05501	32.4
81.07064	97.0
83.05004	3.4
83.08622	12.6
85.06551	2.1
88.89232	1.6
91.05494	35.5
91.57904	1.7
93.07053	72.9
93.07639	4.1
95.04984	4.5
95.08616	100.0
97.06554	3.8
97.10152	8.6
97.98508	1.8
105.04480	2.8
105.07044	58.8
105.07784	2.8
107.08602	77.2
109.06493	3.5
109.10160	59.6
111.08102	2.6
111.11775	3.9
115.05428	2.0
117.07028	8.9
119.08595	57.6
121.10152	49.8
123.08120	2.4
123.11708	22.8
128.06248	2.1
129.07001	6.2
131.08582	22.2
133.10139	36.1
135.11708	37.7
137.09616	2.3
137.13287	8.0
142.07817	4.8
143.08572	13.1
145.10136	38.2
147.11705	35.0
149.09665	2.5
149.13275	21.5
151.11191	2.1
151.14835	2.2
155.08559	5.3
156.09311	3.3
157.10153	17.3
158.10902	2.8
159.11716	39.7
161.09589	1.8
161.13283	31.4
163.14821	16.8
167.08517	2.0
169.10152	7.6
170.10971	2.3
171.11707	19.9
173.13264	26.8
173.14645	1.7
175.14833	19.3
177.16457	7.4
183.11656	8.4
185.13278	15.9
187.14825	20.3
189.16417	15.6
191.18057	4.0
195.11710	3.1
197.13313	10.3
199.14865	15.6
201.16397	16.9
203.17953	11.7
205.19511	2.1
207.11674	2.0
209.13310	6.5
211.14822	8.6
211.70444	1.8
213.16400	10.0
215.18013	12.4
217.19582	6.6
223.14861	3.9
225.16498	6.6
227.17924	9.4
229.19562	6.3
234.61005	1.8
237.16394	4.2
239.18018	5.0
241.19615	6.1
243.21211	5.2
245.22699	3.2
249.16394	2.1
251.18106	3.6
253.19577	6.7
255.21147	4.8
257.22720	5.1
265.19562	2.6
267.21118	4.0
269.22690	3.7
271.24472	2.4
281.22769	5.6
283.24390	3.4
295.24179	2.1
297.25900	2.6
307.23999	1.7
311.27417	2.0
321.26025	2.8
365.32159	1.8
460.60437	2.0
462.52121	1.8
485.72482	1.8
503.43039	1.8
569.46881	2.4
607.52435	18.2
613.94611	1.8
625.53540	78.9
626.53607	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	625.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42478	1.4
53.03956	7.0
55.05513	20.3
57.07068	3.8
65.03938	2.6
67.05173	2.5
67.05510	31.1
69.03429	1.6
69.07069	25.9
69.46931	11.1
74.90102	1.3
78.58523	1.5
79.05495	31.4
81.07063	100.0
83.04987	2.9
83.08625	10.9
85.06531	2.8
91.05484	26.3
93.07047	56.3
95.04981	4.8
95.08610	75.4
97.06502	1.7
97.10167	6.8
103.05385	1.3
105.04561	1.7
105.06324	2.2
105.07030	49.5
107.08598	68.0
109.06539	3.7
109.10161	52.6
111.08080	3.3
111.11713	2.3
114.61492	1.4
115.05470	2.2
117.07005	6.8
119.08589	46.9
121.10152	43.4
123.08136	2.3
123.11720	24.6
125.09669	2.9
128.06152	1.6
129.07010	4.1
130.07724	1.5
131.08554	17.3
133.09134	2.0
133.10132	34.9
135.11700	34.6
137.13264	6.5
138.50960	1.6
142.07816	3.9
143.08536	12.2
144.09348	2.5
145.10132	31.7
147.11699	30.6
149.09521	2.5
149.13268	20.0
151.11194	2.2
155.08502	3.0
156.09360	2.3
157.10170	15.8
159.11703	32.8
161.13287	21.7
161.14583	1.6
163.14825	13.7
164.54549	1.6
167.08717	1.9
168.09305	1.5
169.10168	7.9
169.83826	1.5
171.11700	18.0
171.84979	1.4
172.12476	2.7
173.13260	25.6
175.14856	17.2
177.16373	8.0
181.10071	2.4
182.10965	1.6
183.11664	9.2
185.13268	15.2
187.14795	18.5
189.16444	11.5
191.17935	3.0
195.11803	2.9
197.13254	7.0
199.14807	13.2
201.16394	11.6
203.17926	9.1
209.13271	3.8
211.14853	8.4
213.16364	11.6
215.17992	10.9
217.19608	5.2
221.13139	1.9
223.14824	3.3
225.16432	5.3
227.17961	8.1
229.19550	7.4
231.21054	3.6
237.16402	2.0
239.17966	6.1
241.19576	5.2
243.21104	5.3
253.19554	5.2
255.21173	7.0
257.22723	5.4
267.21222	3.7
269.22726	5.7
271.20526	1.7
271.24112	3.2
279.21237	2.2
281.22638	3.2
283.24188	3.4
285.25488	1.7
293.22543	1.5
307.24429	1.9
319.24176	2.1
321.25729	2.0
323.27277	1.8
349.28735	2.6
391.33856	1.5
403.33850	2.1
408.09470	1.6
459.39734	1.9
497.41458	1.8
529.44275	1.7
607.52448	15.2
625.53387	71.3
626.54187	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.05514	19.1
57.07065	4.8
59.84267	2.2
65.03954	2.8
67.05180	3.6
67.05506	41.9
69.03410	2.3
69.07071	39.2
69.52448	4.3
69.52836	16.5
71.08643	2.9
79.05493	33.2
81.07057	100.0
83.04997	5.6
83.08615	13.3
85.06557	4.2
87.03754	2.1
91.05474	34.2
93.07047	64.7
95.04967	5.3
95.08611	87.5
97.06524	3.7
97.10173	8.3
98.21488	5.0
99.64828	2.4
105.07046	65.5
107.08598	68.3
109.06530	4.2
109.10161	63.6
111.08050	4.9
111.11749	3.4
117.07023	9.8
119.08590	64.8
121.10150	61.0
121.11044	3.2
123.08083	5.6
123.11737	26.5
129.07030	5.1
131.08572	24.5
132.09372	2.5
133.10135	46.8
135.11710	36.6
137.09691	2.7
137.13274	8.8
139.11160	2.5
142.07790	5.4
143.08543	16.9
144.09323	5.4
145.10127	35.3
147.11681	43.0
147.12791	3.0
149.09625	6.2
149.13271	30.9
151.11195	3.0
151.14819	3.1
155.08549	4.7
156.09459	4.0
157.10133	26.5
159.11696	41.5
161.09705	2.6
161.13266	31.8
163.11253	2.8
163.14828	19.7
167.54973	2.6
169.10120	8.0
171.11719	18.8
173.13300	28.3
175.14795	21.6
177.16399	9.0
183.11720	7.7
184.12468	2.6
185.11861	2.2
185.13240	13.5
187.14818	20.1
189.16350	15.4
191.17891	4.0
195.11729	6.8
196.12617	2.2
197.13274	12.2
198.13957	2.5
199.14781	14.3
201.16400	16.9
203.17995	11.8
206.48117	2.4
209.13339	6.9
210.13934	2.6
211.14859	10.0
213.16405	13.2
215.17979	14.1
217.19604	4.6
223.14871	6.2
225.16438	9.0
227.17963	10.0
228.44376	2.4
229.19530	7.1
231.21075	4.0
237.16440	5.6
239.17987	5.6
241.19487	11.3
243.21184	3.6
253.19656	3.9
255.21075	5.2
257.22754	5.2
267.20865	5.0
269.22681	5.3
271.24033	2.6
281.22672	5.8
295.24429	4.1
309.25836	3.4
349.28860	2.9
456.45840	2.7
543.45526	3.4
551.46155	2.6
607.52325	19.1
625.53406	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.2
60.04512	6.2
67.05518	2.5
68.05048	3.5
69.03407	5.7
69.07056	2.8
69.97884	6.5
69.98296	5.0
70.06577	6.7
74.06073	2.5
79.05473	2.4
80.05018	2.9
81.03400	5.7
81.07053	3.4
83.94714	2.2
84.04510	53.6
84.08160	2.6
85.02895	6.5
86.09727	2.8
88.74240	2.0
90.60542	2.3
91.05483	3.7
95.08603	2.5
95.09977	2.1
96.04493	19.9
97.02897	4.6
98.06052	12.3
98.20891	3.7
99.04447	3.1
106.06586	3.0
107.04947	3.0
108.04472	3.1
109.02920	4.8
124.03941	3.9
126.05522	72.1
127.03882	2.4
136.07584	3.0
137.05974	8.0
138.05504	100.0
138.13828	2.1
144.06557	22.4
145.02904	2.4
161.05998	2.9
167.07011	3.0
168.06566	33.6
186.07623	38.4
204.08618	11.5
288.05780	2.7
311.12674	4.0
334.69254	2.5
428.26361	21.3
446.27509	36.5
526.14191	2.8
530.50647	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
55.01883	1.7
55.93546	1.3
56.94313	5.0
56.96569	2.3
69.03439	2.8
70.95866	3.1
71.50735	1.7
72.93793	8.9
77.80513	1.4
79.05038	1.5
79.67136	1.3
81.03422	4.2
81.75938	1.3
84.67723	1.6
84.96030	1.6
85.02915	3.6
90.94829	7.6
91.05465	1.8
95.04995	2.0
97.02904	4.1
98.97598	10.5
102.94817	1.9
107.04965	75.3
108.05325	2.1
109.02897	1.9
110.97577	3.1
114.94741	1.3
116.98632	3.4
127.03860	3.0
128.96373	2.2
128.98624	2.3
132.95847	16.2
136.06323	1.8
137.05972	3.0
140.96378	2.7
144.95848	16.5
146.97424	2.7
147.04433	1.7
150.96886	5.0
153.88864	1.4
157.46471	1.5
158.97417	32.2
158.99606	3.5
162.96906	4.9
162.98436	7.5
166.97977	1.8
168.95874	5.1
170.97443	5.0
174.96892	6.6
176.98468	8.9
177.00685	3.3
178.97897	33.7
180.99510	7.5
186.04353	1.5
186.96861	9.0
188.98401	2.6
194.97343	8.0
196.98984	18.1
198.96916	7.3
204.98061	2.4
206.97394	7.1
208.99013	2.8
210.96977	6.8
212.98477	6.3
216.97867	23.3
219.01791	4.1
220.98965	23.5
222.96918	2.1
224.98482	6.4
232.98958	19.0
234.99011	100.0
236.98483	1.7
237.02861	4.5
247.00531	7.7
248.98439	3.0
251.00096	4.2
253.00116	7.5
257.04529	2.5
263.00031	3.3
265.01654	2.0
267.50949	1.7
275.00034	3.1
277.00055	46.4
289.00067	12.5
301.00052	14.6
303.01852	2.7
303.05112	4.7
305.01038	5.1
313.00027	10.8
319.01138	4.1
323.02130	76.7
341.03030	7.5
343.01315	2.8
349.02356	2.9
359.04324	6.0
361.02249	5.7
379.03241	98.0
455.61362	3.4
585.20264	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Quercetin 3-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03938	0.4
55.01858	0.8
57.03427	1.3
61.02923	2.4
65.03944	0.3
68.99777	0.7
69.03426	4.9
70.06577	1.2
70.56651	0.8
72.08156	0.3
73.02894	0.7
81.03407	2.2
83.01309	0.3
84.08135	0.4
85.02905	19.9
86.09705	0.4
87.04473	0.4
91.03944	0.6
91.05492	0.3
93.03371	0.4
97.02891	5.4
99.04438	0.8
109.02866	2.6
111.00783	1.1
121.02856	1.6
123.04418	0.3
127.03912	3.9
131.04875	0.3
135.04417	0.3
137.02338	4.0
137.05937	0.5
145.04953	4.8
149.02298	0.7
153.01808	4.3
161.05965	0.4
163.03885	0.6
163.06029	0.7
165.01830	2.1
173.05998	0.4
177.05548	0.3
183.02927	1.2
183.04378	0.4
195.02826	0.4
201.05429	2.3
219.02774	0.3
219.06575	0.4
229.02870	0.5
229.04982	4.7
247.06065	0.6
257.04465	3.4
274.04752	0.9
275.05460	0.5
285.03928	1.5
299.05536	3.9
303.04984	100.0
304.05359	0.7
309.30426	0.3
315.04944	0.3
345.05988	0.6
617.51526	0.3
627.17383	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.2
55.01873	0.4
57.03426	0.5
61.02925	1.0
65.03938	0.1
68.99801	0.4
69.03434	2.0
70.06583	0.1
70.64202	0.3
71.04999	0.2
72.81241	0.1
73.02901	0.3
81.03426	1.4
83.01330	0.2
85.02910	6.1
87.04455	0.3
91.03953	0.2
93.03428	0.3
95.04977	0.3
97.02899	2.0
99.04463	0.4
101.68257	0.1
107.05019	0.1
109.02890	0.9
111.00829	0.8
117.07082	0.1
121.02868	0.8
123.04446	0.4
127.03920	1.3
128.75188	0.1
137.02351	3.2
137.03416	0.2
145.04974	1.0
145.06122	0.1
149.02353	0.4
153.01836	3.6
159.04526	0.1
161.06003	0.2
163.03900	0.6
165.01831	1.9
166.02596	0.3
173.05984	0.3
177.05513	0.2
179.03441	0.1
183.02907	0.7
183.04359	0.2
187.03944	0.3
188.16507	0.1
195.02940	0.4
201.05487	1.4
205.04987	0.2
207.02875	0.2
215.03339	0.1
217.05022	0.1
219.02989	0.2
219.06544	0.2
229.04973	4.1
247.06050	0.6
250.63715	0.1
257.04456	2.4
274.04822	0.6
275.05582	0.1
285.03979	1.3
302.04276	0.1
303.05002	100.0
304.05307	1.2
327.04709	0.2
345.05923	0.2
357.05951	0.2
369.06528	0.2
381.05612	0.1
411.07251	0.2
458.90527	0.2
465.10361	5.4
466.10461	0.1
489.10449	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Herbacetin 8-gentiobioside
Peak:m/z	Relative Intensity
50.58167	0.2
53.03936	0.7
55.01871	0.6
55.90290	0.3
56.69342	0.2
57.03436	1.4
61.02927	1.3
64.57695	0.2
68.99792	0.5
69.03091	0.3
69.03432	4.3
70.06604	1.6
71.04981	0.4
72.08162	0.3
73.02916	0.4
75.17397	0.2
81.03424	1.9
83.01320	0.2
83.37437	0.2
84.04507	0.3
84.08139	0.2
84.39004	0.2
85.02909	19.4
86.09712	2.9
87.04462	0.5
91.03966	0.8
91.05444	0.3
95.04958	0.3
97.02895	4.9
99.04448	0.7
105.03378	0.3
107.04954	1.0
109.02898	2.1
120.08096	2.0
121.02865	3.0
123.00780	0.4
125.02328	0.3
127.03913	3.7
131.04916	0.6
133.02861	0.5
135.04359	0.4
137.02310	0.3
145.03922	0.4
145.04979	4.5
147.04471	0.4
151.00203	0.3
153.01836	1.1
155.04895	0.3
159.04407	0.4
163.06061	0.5
166.08595	0.3
167.07106	0.3
169.01337	3.1
171.02927	0.3
171.11459	0.3
173.05997	0.6
177.05374	0.2
181.01337	1.0
183.04478	0.6
187.03946	0.3
193.05064	0.3
200.60886	0.2
201.05434	0.8
229.05013	1.2
229.46466	0.2
239.03255	0.3
247.06242	0.5
257.04468	1.3
274.04639	0.6
275.05408	0.3
279.17041	1.7
285.03979	1.1
303.05002	100.0
304.05377	1.3
326.20889	0.2
345.05704	0.2
465.10315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	2.7
53.03959	8.5
55.01875	17.9
55.05516	46.1
57.03445	12.3
57.07076	6.1
64.04433	1.8
65.03957	4.6
67.05509	100.0
68.75429	1.6
69.03445	3.7
69.07072	31.3
71.04981	6.0
77.03918	1.7
79.05498	97.3
80.05824	2.0
81.03439	3.1
81.07062	96.8
82.07378	4.7
83.04980	13.7
83.08624	19.7
85.06550	3.1
89.06087	1.8
91.04907	2.5
91.05488	75.3
93.07051	88.1
94.07391	1.7
95.04987	13.6
95.08614	71.9
96.08903	2.7
97.06532	23.6
97.10178	11.0
99.08065	2.5
103.05435	2.5
105.04530	2.6
105.07038	73.8
106.07368	3.3
107.04960	17.6
107.08605	65.2
108.08939	4.1
109.06539	8.3
109.10163	44.9
110.10503	3.3
111.08095	5.1
115.05446	3.2
117.07026	27.2
119.08594	55.3
120.08907	5.0
121.06511	5.1
121.10161	39.5
123.08065	2.4
123.11739	13.6
125.09650	7.9
128.06264	2.9
129.07043	6.7
130.07767	1.9
131.08560	38.9
133.06453	2.3
133.10139	43.6
133.11093	3.1
135.08078	5.0
135.11691	21.0
136.12093	2.2
137.09636	5.5
137.13309	2.6
139.07564	1.8
141.07024	4.8
142.07777	4.1
143.08632	9.0
145.10130	28.1
146.10501	2.5
147.08054	3.4
147.11705	28.3
148.12013	2.3
149.09633	32.6
149.13272	13.6
151.07591	3.7
151.11223	2.8
155.08511	3.7
155.10654	2.8
156.09283	2.3
157.10118	8.3
159.11714	20.2
160.12061	2.9
161.09654	2.1
161.13321	14.6
161.48117	1.7
162.13570	2.9
163.11191	5.8
163.14838	8.9
168.22357	1.8
169.10129	5.7
169.12280	2.8
171.11708	8.1
173.11874	3.5
173.13211	13.6
174.13699	2.2
175.14868	4.9
177.12704	4.0
183.11766	5.0
185.13257	6.6
187.14877	5.2
189.11208	3.8
197.13249	4.8
199.14882	3.2
201.16394	3.5
209.15475	2.9
213.11124	2.2
213.16359	4.2
215.18008	2.3
219.17584	10.1
227.12810	5.8
227.18018	2.9
229.19594	6.6
229.47890	2.1
233.19073	2.7
239.18024	4.0
243.21121	2.7
247.20648	3.8
257.19009	13.7
261.22159	6.6
275.20078	71.9
293.21194	2.0
317.24652	2.1
335.25815	64.2
335.29865	3.1
349.23712	29.1
350.41925	1.9
383.89328	1.9
609.45062	49.0
609.52716	2.1
627.45142	10.3
627.55200	15.6
627.65295	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.9
53.03947	4.8
55.01881	10.5
55.05270	2.0
55.05516	25.1
57.03442	11.8
57.07066	4.7
58.88850	1.4
65.03938	4.7
67.05506	79.0
69.03426	2.0
69.07072	28.0
69.95382	8.1
71.04991	3.1
74.52577	1.5
77.03918	2.0
79.05497	59.3
81.03419	4.5
81.07063	100.0
83.04965	8.6
83.08617	12.4
85.06554	4.6
88.32603	1.5
91.04909	2.3
91.05486	63.8
93.07046	65.4
95.04967	6.5
95.08612	61.7
97.06547	12.0
97.10176	5.9
99.04468	2.3
99.08046	1.4
103.05384	2.1
105.04552	3.7
105.07040	53.8
107.04971	8.6
107.08598	35.2
109.06532	15.4
109.10163	28.9
111.08089	3.1
111.11687	1.7
117.07026	19.5
119.08586	46.8
121.06519	3.3
121.10156	30.4
123.08083	8.0
123.11710	8.7
125.09602	2.8
127.11215	1.5
129.07021	6.9
131.08574	28.1
133.10139	31.3
135.08043	3.8
135.11678	17.9
137.09619	5.2
137.13257	2.3
141.06964	1.9
143.08626	7.3
145.10129	26.0
147.11703	17.1
148.12186	1.5
149.09653	7.6
149.13268	8.7
150.33589	1.6
151.11192	2.4
155.08571	2.3
157.10118	8.3
159.11690	18.2
161.09685	1.7
161.13324	9.4
161.69693	1.5
163.11208	5.6
163.14865	3.7
165.12772	2.9
169.10100	1.8
171.11693	6.8
173.13255	9.2
175.11098	1.4
175.14754	4.1
177.12811	2.2
177.16412	2.2
179.14339	2.4
183.11690	3.6
185.13289	6.8
187.11192	2.6
187.14851	3.7
189.12720	1.8
189.16376	1.9
197.13370	2.6
199.14873	1.7
201.16412	4.6
203.14262	2.8
203.17955	1.6
211.14943	2.3
215.18015	2.6
217.19545	2.0
218.19989	1.5
219.17450	58.7
223.56718	1.6
225.53796	1.6
229.19537	2.1
239.17934	3.5
241.19438	1.7
243.21204	3.0
247.20599	4.2
257.19052	6.0
259.20566	3.4
261.22113	5.4
273.18527	2.2
275.20087	50.5
277.21597	2.3
291.19479	4.7
293.21094	5.5
304.75357	1.7
317.24683	1.6
333.24225	2.1
335.22055	3.1
335.25824	46.9
336.26355	1.6
349.23755	17.4
357.71567	1.6
399.84570	1.8
515.99371	1.8
529.39081	2.0
553.42340	1.9
609.45160	35.9
627.45886	19.0
627.55225	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.4
53.03948	9.6
55.01878	11.9
55.05273	2.2
55.05517	36.5
56.25816	1.6
57.03444	14.2
57.07070	4.2
58.97274	1.7
65.03934	7.2
67.05511	98.4
69.03408	3.3
69.07068	32.6
69.86489	3.2
69.86887	8.3
71.04992	9.8
71.08614	1.8
73.34912	1.8
79.05497	78.6
81.03403	4.0
81.07064	100.0
83.04977	13.4
83.08619	19.4
85.02903	7.7
85.06533	5.4
91.05489	75.7
93.07047	76.1
93.07642	3.2
95.04984	11.2
95.08615	68.1
97.06522	12.2
97.10146	9.1
99.08114	5.4
99.28064	1.6
101.09687	1.7
103.05454	2.3
105.04517	3.3
105.07043	55.3
107.04983	11.4
107.07880	3.3
107.08603	45.4
109.06541	9.6
109.10166	40.9
111.08092	6.4
112.97580	1.5
115.05481	3.0
117.07030	27.2
119.08591	38.3
121.06544	4.6
121.10154	30.4
123.08067	5.3
123.11726	8.6
123.71939	1.7
125.09635	3.3
128.06267	3.3
129.07008	10.3
130.07808	1.9
131.08586	38.4
133.10143	42.8
135.08078	7.0
135.11703	19.5
137.09692	4.2
137.13252	3.2
139.11197	2.3
141.07005	4.1
143.08572	17.2
145.10118	25.4
147.08047	3.0
147.11714	21.3
149.09605	13.3
149.13254	11.9
151.11195	11.3
153.12804	2.3
155.08588	5.0
156.09338	2.4
157.10107	15.3
159.11699	21.8
161.13220	10.4
163.11162	6.2
163.14844	4.4
165.12733	2.9
167.08551	2.5
169.10135	8.1
169.12311	2.9
171.11729	9.5
173.13258	15.7
175.11197	2.3
175.14828	3.2
177.12712	3.3
181.10201	3.2
183.11725	10.8
185.13248	7.4
187.11192	3.5
187.14818	6.4
189.11258	2.2
189.12762	1.8
189.16412	2.8
191.14392	2.2
195.11743	2.1
195.13744	3.3
197.13309	4.8
199.14787	5.6
201.12639	2.3
201.16422	3.0
203.14256	2.3
209.13338	3.7
211.14700	3.8
213.16437	3.2
215.17856	2.4
217.16011	1.9
219.17456	5.0
223.14816	3.0
227.12671	2.3
227.18056	2.0
229.19592	2.3
239.17920	4.7
241.19551	2.6
247.20708	3.0
253.14301	11.1
257.19006	8.5
259.20575	4.8
261.22098	8.3
273.18530	3.8
275.20056	48.6
277.21692	2.1
291.19467	3.0
293.21216	13.2
317.24713	2.3
331.22507	2.6
333.24075	3.2
335.22061	3.9
335.25821	47.2
337.27197	1.9
349.23801	19.6
351.25449	1.7
367.29974	2.6
515.37317	3.2
517.40527	4.0
529.38763	7.9
531.36713	4.5
535.41064	5.2
554.34497	2.1
555.40363	6.8
591.44366	2.5
609.45294	35.9
627.46338	39.8
628.46893	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01628	1.9
55.01872	20.4
55.05275	2.4
55.05518	28.6
57.03436	12.2
57.07072	3.0
65.03937	6.4
67.05508	73.1
69.06730	2.5
69.07072	31.6
69.69946	1.4
71.04985	4.5
79.05499	58.0
81.03406	5.7
81.07062	100.0
82.07382	1.6
83.04990	7.6
83.08621	8.7
85.06525	3.0
85.87676	1.9
91.04907	2.4
91.05484	59.1
93.07050	63.2
95.01331	3.0
95.04981	10.8
95.08613	60.0
96.08921	1.8
97.06540	31.6
97.10158	4.2
102.91395	1.4
103.05444	2.6
105.07035	67.9
106.07366	1.9
107.04961	14.5
107.08603	39.2
109.06526	12.0
109.10169	23.3
111.08075	4.4
111.11707	2.0
113.36624	1.4
117.07027	17.1
119.08588	38.9
120.08942	2.6
121.06477	3.0
121.10143	22.1
123.04449	2.3
123.08098	5.3
123.11689	5.0
125.09614	2.9
129.06975	4.4
131.08575	26.7
133.10141	37.9
135.08070	3.0
135.11699	18.5
137.09595	4.3
137.13234	2.2
139.07561	2.3
143.08542	5.2
145.06505	1.7
145.10130	19.1
147.11693	20.3
149.09566	7.1
149.13300	10.2
151.11133	2.7
151.14775	1.8
155.08485	2.3
157.10133	5.0
159.11687	17.1
161.13300	11.1
163.11218	4.6
163.14824	4.1
165.09019	1.8
165.12801	1.7
169.10106	3.9
171.11653	4.1
173.13309	8.3
175.14807	3.9
177.12743	2.0
177.16518	1.9
179.14305	11.1
183.11829	1.5
185.13289	2.1
187.14822	2.8
189.16347	3.0
197.13254	4.9
199.14835	2.3
201.16389	3.3
203.14240	1.7
211.14775	1.7
215.17955	2.4
219.17455	33.3
229.19470	3.7
239.17923	2.5
243.21248	1.5
247.20613	2.5
257.18954	4.5
261.22113	2.3
275.20081	69.4
291.19519	4.2
293.21030	4.5
335.25827	81.8
337.27631	1.4
349.23734	17.6
424.79605	1.6
432.02106	1.4
445.80429	1.6
546.10980	1.6
609.45135	50.5
609.53571	2.6
627.45129	8.6
627.55621	10.6
627.63910	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	627.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.05513	21.0
57.07075	7.2
64.90452	1.4
65.03934	3.9
67.05511	34.6
69.07070	30.8
71.08616	1.4
71.22585	3.2
73.04622	1.3
77.77386	1.5
79.05077	1.6
79.05499	23.9
81.07059	100.0
83.08611	13.0
85.06529	2.8
90.95252	1.3
91.05476	22.1
93.07047	54.1
95.04979	3.1
95.08613	94.2
97.10193	7.8
103.05470	1.7
105.04544	1.7
105.07033	40.5
107.08598	62.6
109.06532	2.4
109.10164	58.1
111.08104	2.8
111.11720	4.4
117.07022	5.5
119.08585	50.7
121.10146	51.7
123.08028	2.4
123.11717	29.9
125.09653	2.7
128.06256	2.0
129.06975	2.9
131.08585	14.4
133.10138	33.4
135.11699	35.8
137.13261	9.5
142.07838	2.4
142.50987	1.4
143.08592	8.6
144.09389	2.2
145.10129	26.7
147.11690	31.9
149.13264	30.9
151.11159	1.9
151.14801	2.9
155.08580	3.0
156.09474	1.6
157.10170	11.0
158.10950	1.8
159.11697	26.1
161.13272	27.3
163.14830	18.4
169.10126	4.3
170.10901	1.6
171.11711	11.2
172.32365	1.3
173.13281	21.6
175.14812	20.3
177.16376	10.2
183.11737	5.4
185.13239	13.9
187.14815	15.1
189.16394	17.2
191.18027	6.4
195.11731	2.7
197.11586	1.5
197.13145	7.1
199.14845	11.1
201.16417	13.3
203.17914	12.9
205.19618	2.1
209.13225	2.8
211.14880	5.3
213.16322	8.3
215.18008	9.2
217.19440	8.5
223.14801	3.0
225.16441	3.3
227.18004	8.2
229.19574	7.3
231.21132	3.3
233.19072	1.7
235.14786	1.7
237.16368	1.8
239.18015	3.6
241.19530	7.0
243.21190	4.5
245.22722	3.2
251.18024	1.5
253.19543	3.9
255.21089	4.2
257.22723	5.3
269.22717	3.7
271.24316	4.3
281.22592	2.8
283.08594	1.7
283.24261	4.9
285.25885	1.8
287.24005	1.7
295.24356	2.7
297.25854	2.9
299.27701	1.6
311.27301	2.3
321.26022	2.1
325.29059	1.5
337.28870	2.9
339.30557	2.2
349.29114	2.0
351.30783	2.2
357.32263	1.7
391.33902	2.1
409.34183	1.5
423.36633	1.5
477.40851	1.6
527.46057	1.6
579.60034	1.5
609.53918	19.0
609.62927	2.3
627.55042	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73780	0.7
55.01859	1.0
57.90329	0.7
61.02914	0.6
64.39282	0.7
69.03415	1.0
70.06583	1.0
71.50575	0.8
73.02895	0.7
85.02890	3.1
95.01336	1.4
97.02899	0.7
98.18863	0.7
98.84496	0.7
107.04959	14.9
119.04924	1.8
121.02896	1.2
123.04400	1.3
127.03857	1.1
147.04367	2.4
151.04010	0.9
151.96240	0.7
153.01704	1.1
161.05908	0.9
163.03885	1.2
172.88219	0.7
179.03392	12.5
191.03419	1.4
195.02901	1.3
203.03378	4.2
205.17828	0.7
215.03416	0.9
219.02956	1.5
219.64659	0.7
229.04973	2.1
230.05145	1.0
231.02872	3.1
239.06982	0.9
245.04555	1.0
255.06535	100.0
256.07214	1.6
257.04529	1.2
259.02365	3.1
267.06546	1.6
273.07407	1.1
275.12430	0.8
293.08173	0.9
295.05850	2.6
303.05005	11.8
304.05377	13.4
319.04468	9.3
319.12491	0.7
321.07608	1.2
325.05542	1.3
335.05524	1.1
337.01465	1.2
337.05545	21.3
355.06604	3.1
385.09070	1.2
395.07504	1.6
413.08679	6.5
431.09741	4.3
437.83405	0.7
449.10806	5.3
466.10590	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15637	1.0
52.97479	0.9
55.05509	1.9
57.03439	10.3
61.02905	2.8
69.03429	5.8
69.44848	6.7
69.95754	0.9
71.04995	70.4
73.02905	3.5
75.04498	5.4
81.03380	1.7
83.04995	9.1
85.02908	94.6
87.04476	2.3
87.76678	0.9
97.02886	4.1
99.04453	1.8
107.04974	1.1
109.02879	1.7
111.04465	4.8
111.08020	1.0
122.44275	1.0
127.03900	3.7
129.05484	38.4
133.06456	1.0
137.05937	2.3
145.04997	1.9
146.08110	2.6
147.06531	15.5
156.77403	0.9
157.06436	1.1
164.09160	6.4
167.07072	2.2
176.04683	1.5
176.48256	1.1
177.05461	1.4
181.04967	1.1
183.08049	1.6
197.58392	1.1
199.07446	1.2
211.07518	5.5
212.08354	1.2
223.07513	1.5
224.08461	1.5
225.05467	2.0
225.09154	2.0
227.07022	3.0
229.08588	3.3
239.07066	5.8
240.07745	1.0
241.04778	1.1
241.08629	1.9
242.09314	1.6
253.08607	3.8
254.09390	2.4
255.06439	2.0
257.08109	11.4
257.10849	1.2
257.11697	0.9
265.08630	1.2
268.10980	1.6
269.08203	1.0
270.08948	6.9
271.06177	1.0
271.09677	5.8
272.10449	67.9
273.07578	3.5
273.11200	1.1
283.09674	2.3
285.11105	5.9
286.08249	2.3
288.09952	11.7
295.09714	1.3
296.10367	4.0
297.11386	1.4
299.09290	1.3
301.10645	12.0
302.11404	1.5
303.12280	100.0
307.32712	1.0
309.11011	1.2
314.11389	5.0
315.12125	1.8
321.11145	1.2
324.09866	1.4
325.10330	1.3
327.12271	4.4
338.11438	1.9
339.12515	1.5
345.13278	7.0
351.12393	1.5
355.11472	5.1
364.12885	1.2
367.15576	1.6
369.13364	9.4
395.14908	10.6
413.15994	5.6
427.66000	1.0
431.16360	1.3
482.59259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05511	5.8
57.03423	1.4
57.07077	31.3
58.06604	5.9
59.04994	1.0
59.07367	1.7
60.08157	1.0
67.05510	10.9
68.05856	1.5
69.07076	5.5
70.06605	1.6
71.04996	0.8
71.08634	27.4
71.36813	0.9
73.06558	8.7
73.28641	0.8
79.05491	8.7
80.05812	1.1
81.07060	10.6
82.07381	0.8
83.04984	1.0
83.08634	3.6
85.02890	0.8
85.10188	16.4
87.04486	5.0
89.06036	100.0
91.05492	6.0
92.05800	0.9
93.07045	7.6
94.07382	1.5
95.08610	6.0
97.06512	1.9
97.10170	5.2
99.11754	2.8
105.07052	4.7
106.07364	0.9
107.04985	1.0
107.07062	1.7
107.08599	4.7
109.06498	1.1
109.10110	3.8
111.11714	3.3
113.13302	1.8
116.07087	3.3
117.07010	1.7
117.09155	4.6
119.08588	3.6
121.10146	3.3
125.13249	2.3
127.14823	1.6
130.08656	2.7
131.07025	2.1
131.08592	1.9
133.08612	48.6
133.10162	3.2
135.10143	1.0
135.11699	2.6
141.16377	1.5
144.10196	2.5
145.10132	1.6
146.10435	0.9
147.11693	2.4
149.13242	1.1
151.11224	0.9
159.11710	1.7
161.11807	1.3
161.13260	1.0
171.11720	0.9
175.09679	0.9
177.11209	19.1
177.12694	1.1
197.22655	2.1
202.69426	0.8
221.13808	4.3
236.14926	16.9
241.25302	1.3
265.16550	0.9
275.20059	3.6
276.20337	2.5
283.17471	1.0
285.27884	4.8
327.20084	1.7
329.30417	3.3
335.25845	1.2
336.26126	2.1
349.23575	0.9
350.24091	1.2
371.22495	1.0
372.23785	1.1
390.24826	1.1
415.25555	4.4
422.02426	0.9
456.37057	1.1
474.37939	3.0
610.45367	3.4
611.47198	4.6
628.47772	23.5
628.58502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01870	0.7
57.03428	0.5
61.02915	0.6
68.99796	1.5
69.03432	4.3
70.06579	0.2
71.04993	0.5
71.42230	0.2
73.02569	0.2
73.02916	1.0
77.96799	0.2
78.81237	0.2
81.03423	6.4
83.04977	0.2
85.02908	5.4
87.00842	1.6
97.02896	3.5
99.04454	1.4
105.01858	0.8
109.02885	10.2
111.04438	0.4
115.03932	0.3
117.01843	0.2
123.04434	0.3
125.02304	0.3
127.03922	100.0
128.04271	0.7
129.01880	0.9
139.16428	0.2
141.01842	2.2
145.04971	2.5
147.02911	0.5
147.04404	0.3
157.05038	0.2
159.02910	1.1
189.05522	0.2
193.05032	0.2
195.02979	0.3
201.03877	0.3
201.05592	0.3
207.06474	0.2
213.03922	1.3
217.05002	0.3
231.05035	1.7
235.06067	0.3
273.06079	0.7
285.06174	0.5
303.07138	0.5
321.06070	0.2
339.07211	0.4
357.08157	1.1
375.09290	0.8
488.90167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2246
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.89102	0.6
60.98133	0.7
65.74307	0.6
66.02646	0.6
67.05505	0.8
71.51338	0.7
72.08206	0.7
81.07067	0.9
85.17982	0.7
105.07034	0.8
121.10155	0.7
131.04973	1.0
131.26385	0.6
162.17950	0.7
175.78697	0.6
227.73169	0.7
233.72771	0.8
396.12421	0.9
397.13123	2.0
398.13794	1.5
399.14630	1.6
410.13687	3.9
411.14517	6.6
412.15308	5.2
413.16293	3.5
423.14893	1.6
424.10675	1.1
424.16125	3.6
425.16333	16.2
426.17078	9.0
427.17676	3.7
428.18692	3.2
437.16351	0.9
438.12415	3.9
439.13654	24.4
440.19141	7.0
441.19351	42.0
442.19797	1.9
452.14557	3.7
453.15405	26.0
454.15842	5.8
456.17892	1.3
457.14774	0.8
463.14026	1.1
467.17181	25.1
468.17926	21.5
469.18921	11.7
470.19180	0.9
471.16824	1.7
472.17200	1.3
481.14728	10.5
482.15381	1.5
483.16357	1.0
484.21835	3.5
485.17682	1.8
495.17059	3.0
496.17160	16.3
497.17783	1.5
498.19135	1.5
499.19855	2.0
500.20667	4.6
512.20844	3.4
513.21942	3.9
514.22052	1.1
523.19647	1.2
527.19501	0.8
528.20245	1.6
541.20923	45.8
542.21173	2.4
553.20618	1.3
554.17804	1.3
568.19946	1.0
569.20361	100.0
570.20728	5.8
572.19043	1.0
573.23615	2.6
597.19830	26.7
598.19653	1.4
600.22046	1.3
601.22900	12.7
629.22339	73.8
630.22345	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	629.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.1
55.01874	9.0
55.05519	32.1
57.03428	11.4
57.07066	8.6
64.63259	2.1
65.03940	5.5
67.05511	96.4
69.03441	4.3
69.07069	28.3
71.04989	5.6
71.08623	2.4
71.51597	4.7
79.05496	58.0
81.03410	2.9
81.07065	100.0
82.07403	2.9
83.04957	5.7
83.08617	16.9
85.06548	6.2
89.06014	6.1
91.04910	2.6
91.05484	46.1
93.07050	70.5
95.04965	7.9
95.08617	74.4
97.06539	15.2
97.10158	10.9
105.07037	34.9
107.05047	2.3
107.08604	47.5
109.06516	5.6
109.10175	43.7
109.38339	2.5
111.08112	4.8
114.04927	2.4
117.07011	14.1
119.08578	27.5
121.10134	30.5
123.08050	3.1
123.11704	14.1
125.09589	8.5
129.06932	3.4
131.08586	18.1
133.08569	3.3
133.10150	26.3
135.11697	25.0
136.11896	3.2
137.09584	3.7
142.77180	2.6
143.08568	3.0
145.10153	14.7
147.11685	22.2
149.09567	4.3
149.13297	13.1
157.10132	6.9
159.11722	15.2
161.13300	14.7
163.11174	5.4
163.14854	7.0
165.12695	3.4
169.10027	2.8
171.11658	5.8
173.13292	11.7
175.14836	8.9
185.13246	4.6
187.14841	7.1
189.11244	4.9
197.13248	3.1
201.16412	3.0
227.12816	7.9
238.78944	2.6
241.19597	3.2
259.20572	12.5
261.22055	11.6
275.19977	6.6
277.21646	27.3
317.24850	3.1
335.25833	55.3
337.27402	3.5
351.25299	24.0
393.24600	2.8
449.30417	4.2
539.85028	2.8
611.46777	29.2
629.47345	14.8
629.56067	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	630.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	3.1
57.07079	32.0
57.87133	1.0
59.05005	1.2
67.05489	2.5
69.07084	1.6
71.08639	22.9
71.51303	1.4
73.02892	1.0
73.06554	8.4
77.34062	0.9
81.07079	1.2
83.08599	1.4
85.09731	1.7
85.10192	19.0
87.04470	7.0
89.06040	100.0
91.07609	1.4
92.09579	1.0
95.08613	2.2
95.92243	1.3
97.10157	2.2
99.11729	3.7
105.07020	1.8
107.07065	1.6
109.10175	1.7
113.28174	1.0
117.09143	7.4
130.08640	1.9
131.07072	2.7
133.08618	48.4
135.10139	1.2
137.81985	1.1
143.47360	1.3
155.17938	5.1
161.11765	1.7
175.09766	1.7
177.11237	23.9
179.12828	1.3
199.20563	3.7
221.13802	4.0
243.23242	6.0
283.17371	2.4
287.25763	3.7
429.18011	1.3
459.27939	1.5
489.35501	3.1
613.44659	3.8
630.47638	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.9
55.01868	5.5
55.05515	9.8
57.03437	1.3
57.07063	2.1
63.38465	0.8
64.10191	0.9
65.03944	1.3
67.05510	29.7
69.07075	12.6
69.17382	3.1
69.17805	7.4
78.01063	0.9
79.05495	15.6
81.07063	57.0
83.04958	2.8
83.08614	5.0
85.06535	1.8
91.05486	9.2
93.07056	11.1
94.06573	2.5
95.05009	1.2
95.08617	26.9
97.06526	2.8
97.10158	2.6
98.20733	2.0
99.08074	1.3
105.07049	7.6
107.08605	9.0
109.06516	11.3
109.10171	9.9
111.03720	1.2
111.04444	16.0
111.08034	2.2
117.07001	1.2
119.08614	7.3
121.10167	6.3
123.08062	3.0
123.11711	3.8
125.06023	4.4
126.02632	1.0
127.86440	0.8
131.08575	3.2
133.10133	9.0
135.08061	3.4
135.11705	5.0
137.05989	100.0
137.09637	1.8
137.13235	3.0
143.08499	1.4
145.10133	3.3
147.08000	1.4
147.11699	8.2
149.09621	4.2
149.13239	3.4
151.07571	3.1
151.11163	1.2
157.10069	2.7
159.11714	1.3
161.09656	6.9
161.13239	3.2
163.11230	4.5
163.14786	2.1
165.09111	3.2
165.12842	1.0
171.11707	2.1
173.13182	1.4
174.67622	0.9
175.11234	6.3
175.14801	1.9
177.12793	1.2
179.10664	2.3
180.13336	0.9
180.15367	0.8
189.12787	1.2
193.12318	1.4
197.13220	0.9
203.18010	6.9
213.16452	1.8
220.16919	2.1
221.18990	2.1
231.17453	10.1
241.16008	1.9
248.16342	1.1
249.18594	12.7
275.19974	1.0
277.18021	75.9
278.18454	1.4
279.19733	0.9
279.23199	2.0
295.19034	11.7
337.27399	23.0
351.21725	6.8
492.47134	1.0
519.40588	6.9
528.12946	0.9
613.44385	13.9
631.45691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16082	1.3
51.52658	1.0
53.03941	5.8
54.03635	1.1
55.01860	5.0
55.05270	1.8
55.05513	22.7
57.03443	5.6
57.07077	3.2
59.04994	2.4
62.93615	1.1
65.03928	4.3
67.05509	100.0
69.03434	41.3
69.07072	13.7
71.01341	2.2
71.04977	5.3
71.52025	1.2
71.52454	1.7
79.05495	35.7
81.03423	22.1
81.06594	2.5
81.07062	46.6
83.04987	8.3
83.08627	14.8
85.02904	4.6
85.06528	3.6
87.04468	2.7
91.04919	1.9
91.05486	38.0
93.06495	1.9
93.07049	36.1
95.04979	12.3
95.08611	27.0
96.75674	1.1
97.02866	4.7
97.06516	5.2
97.10165	5.4
99.04447	3.4
99.08095	1.8
103.03908	1.6
103.05516	1.3
105.04529	2.2
105.07032	31.0
107.04956	4.4
107.07429	1.5
107.08601	22.8
109.02868	4.8
109.06525	10.2
109.10164	57.4
111.04462	8.2
111.08067	5.1
113.06009	2.0
115.03954	1.3
115.05430	2.7
117.07031	15.7
119.07803	2.1
119.08588	26.1
121.06499	4.0
121.10151	20.1
123.04431	1.4
123.08042	4.2
123.11704	4.3
125.09610	8.7
127.03938	2.6
128.06201	3.8
129.07004	10.5
130.07831	1.3
131.04929	1.5
131.08568	17.0
131.69722	1.1
133.06465	3.6
133.10146	14.7
135.08040	4.6
135.11697	10.2
137.05870	1.3
137.09647	6.8
139.11185	2.9
141.06973	2.9
142.07715	2.6
143.08594	8.1
144.09396	1.8
145.06493	3.5
145.10126	16.3
147.08055	5.3
147.11720	11.6
148.12030	1.4
149.09613	4.8
149.13257	3.9
151.07568	1.8
151.11136	1.4
155.08563	5.0
155.10657	5.0
156.09294	2.2
157.06479	1.7
157.10121	10.7
159.08017	5.1
159.11722	12.2
161.09622	3.4
161.13300	3.5
163.07571	2.4
163.11201	3.2
163.14902	1.3
167.08556	2.4
167.10693	1.7
169.10129	5.9
171.08109	2.9
171.11702	8.1
173.09601	2.5
173.11734	16.5
173.13257	6.9
175.11223	3.8
175.14780	2.6
177.09119	1.7
177.12718	2.4
181.10123	2.7
183.11687	5.4
185.09561	2.8
185.13271	4.3
187.07686	1.5
187.11127	2.9
187.14783	3.1
189.11192	3.0
189.12775	2.6
193.10159	1.5
195.11688	4.1
197.13222	3.5
199.11186	3.1
199.14850	3.1
201.12769	2.5
201.16374	3.1
203.35736	1.5
207.11604	1.3
209.13390	2.6
211.14943	2.3
213.12695	2.2
213.16409	2.0
221.15256	2.3
225.12746	2.0
229.14316	17.9
231.13939	1.4
234.13727	1.3
236.05862	1.2
259.20547	2.4
261.22195	1.2
277.21634	4.0
287.19781	1.3
299.15094	1.3
301.21628	7.8
309.22043	1.2
313.21744	1.7
315.23083	2.3
319.22849	1.7
323.23599	1.3
327.23145	3.3
339.23404	1.6
341.24747	2.4
345.23956	1.4
351.23145	5.3
353.24521	2.4
357.24283	2.4
369.24219	9.8
387.25241	5.0
393.26123	1.4
405.26407	2.1
443.28058	2.9
461.28973	7.2
547.35834	1.9
597.38062	5.9
615.38861	7.9
633.39862	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.4
53.03951	6.4
55.01868	4.8
55.05513	23.5
56.03432	1.0
57.03436	7.3
57.07067	3.3
59.05003	4.0
63.11083	0.9
64.34342	1.0
65.03942	5.8
67.05508	100.0
68.01398	1.1
69.03433	35.5
69.07071	12.0
69.35590	4.9
69.35992	2.4
71.04998	6.0
74.47597	0.9
79.05496	34.2
81.03422	26.1
81.03867	1.9
81.07062	45.3
83.04984	9.7
83.08624	12.3
85.02919	6.8
85.06541	4.5
87.04443	1.4
89.36871	0.9
91.05486	36.1
93.07052	40.0
93.07642	2.2
95.04970	11.3
95.08611	30.4
95.09177	2.1
97.02907	4.7
97.06532	5.6
97.10165	6.4
99.04468	3.7
99.08097	2.2
103.05476	1.7
105.04517	1.9
105.07037	30.5
107.04948	4.3
107.08600	27.0
109.02900	6.5
109.05837	1.4
109.06496	6.2
109.10162	64.7
111.04444	7.6
111.08064	5.2
113.06072	1.5
115.05502	3.0
116.06285	1.2
117.07022	14.7
119.05004	1.4
119.08591	25.8
119.09372	1.9
121.06534	3.2
121.10139	16.4
123.08092	5.3
123.11730	3.5
125.09632	7.6
127.03935	3.4
128.06253	4.3
129.07013	10.6
130.07820	1.8
131.08572	18.3
131.09544	1.5
131.25822	1.2
133.06497	3.3
133.10141	13.6
135.08052	6.2
135.11713	7.7
137.09612	7.1
139.11198	2.2
141.07036	3.4
142.07739	3.3
143.08572	9.3
144.09357	1.3
145.06508	2.8
145.10144	14.8
145.11166	1.5
146.08557	1.1
147.08081	4.5
147.11697	10.0
149.06024	1.7
149.09668	3.2
149.13298	4.5
151.07574	3.8
151.11188	1.5
153.09096	1.9
154.07820	1.3
155.08586	5.4
155.10608	5.0
156.09354	1.5
157.06476	1.6
157.10115	10.3
159.08104	4.1
159.11711	10.9
161.09657	3.5
161.13272	5.3
163.07556	1.7
163.11212	4.5
163.14810	1.4
165.09174	2.1
165.12727	1.4
167.08592	2.8
168.09293	1.0
169.10133	5.3
171.08121	1.9
171.10361	1.8
171.11627	7.4
173.09708	2.3
173.11772	17.9
173.13295	9.0
175.11232	2.9
175.14894	3.0
177.12784	1.9
179.18631	1.3
181.10072	2.4
183.11690	5.0
185.09624	1.8
185.13307	6.8
187.11197	2.4
187.14835	4.3
189.11264	3.6
189.12811	1.9
191.14421	1.3
193.12381	1.3
195.11752	4.0
195.13705	1.2
197.13344	3.3
199.11243	2.2
199.14896	3.0
201.12730	3.0
203.14384	2.0
207.11819	1.4
207.13824	2.1
209.13336	2.8
209.15363	1.3
211.11110	2.1
211.14842	3.0
211.31892	1.0
213.12833	2.4
215.14481	2.2
221.15308	5.0
223.15001	1.9
225.12759	1.8
225.16353	1.1
227.12677	2.8
227.14629	1.3
229.14333	18.7
233.15448	2.6
235.14923	1.5
235.17033	1.1
241.19502	1.2
243.21240	1.1
245.13770	2.2
247.17216	1.5
257.19257	1.5
259.20618	4.0
261.22241	3.0
271.20618	1.5
273.22043	1.2
277.21786	3.8
283.20450	1.3
285.22049	1.5
289.21866	3.3
299.14978	2.5
301.21658	8.5
313.21817	2.5
315.23120	2.6
317.24561	1.2
319.22794	2.8
323.23730	1.3
327.23230	2.1
341.24860	2.0
345.24399	1.5
351.23090	5.2
353.24637	1.8
355.17599	2.2
369.24301	10.6
371.25729	1.6
375.25491	2.2
387.25262	7.8
405.26749	1.9
425.26990	2.0
431.28055	1.6
443.27954	4.1
461.29282	5.4
489.35547	2.0
541.35455	1.6
555.37305	1.4
559.35742	1.1
597.38147	4.9
615.39038	10.4
633.40027	46.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56556	0.6
53.03957	5.0
53.40082	0.5
55.01880	0.8
69.03441	1.9
71.04984	1.7
79.05500	1.8
81.03426	18.4
85.02913	4.1
89.98568	0.5
91.05524	0.6
95.04955	1.8
97.02903	4.4
99.04461	15.2
100.30455	0.6
103.03954	11.1
105.04557	0.7
107.04962	97.9
109.02887	31.3
127.03924	100.0
128.04149	0.7
145.04962	7.7
169.04988	18.7
187.06024	24.1
210.26393	0.6
211.06035	2.1
219.05997	0.6
229.07095	50.0
230.07202	1.0
236.49278	0.6
289.09229	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	636.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.4
51.02384	0.6
52.21530	0.4
53.03949	4.8
55.01878	0.8
60.01961	0.3
69.03426	1.7
70.31874	1.3
71.04992	1.7
76.28355	0.3
77.03940	0.6
79.05477	2.0
81.03420	19.9
81.07111	0.4
83.01355	0.5
83.04999	0.4
85.02894	2.8
85.86239	0.4
88.06979	0.4
91.05466	0.9
95.04966	1.5
95.08648	0.6
97.02895	7.1
99.04458	13.5
103.03946	10.0
105.04550	0.5
105.07034	0.9
107.04960	100.0
108.05286	1.0
109.02884	47.0
109.10165	0.5
118.66138	0.4
121.10174	0.5
127.03922	91.5
128.04240	0.8
137.09712	0.4
139.03899	1.4
145.04970	6.0
145.06085	0.5
145.06638	0.4
169.04970	18.4
187.06023	22.8
211.05946	1.9
229.07082	52.2
230.07387	0.6
233.84242	0.4
289.09174	14.8
291.45340	0.4
640.22620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.4
51.02368	0.5
51.88567	0.4
53.03942	3.1
53.43368	0.3
55.05515	0.6
57.03439	0.4
57.60431	0.4
67.05496	1.1
67.91425	0.4
69.03417	0.7
70.06584	0.6
70.29579	0.8
70.29931	1.0
71.04983	1.0
71.21757	0.4
79.05513	2.0
81.03420	15.8
81.07056	1.0
85.02898	1.5
85.95367	0.4
91.05472	1.3
93.07043	0.8
95.04969	1.3
95.08637	0.7
97.02900	7.9
99.04465	3.2
100.11279	0.5
103.03944	0.7
105.04519	0.9
105.07008	0.5
107.04961	100.0
108.05297	1.2
109.02887	44.0
109.10155	1.0
127.03927	18.9
135.11728	0.5
139.03926	1.7
145.06487	0.5
169.04967	7.2
182.15492	0.5
187.06004	1.9
229.07085	21.2
229.14691	0.4
289.09299	2.7
436.30026	0.4
439.26880	1.1
636.49554	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01878	0.5
57.03460	0.4
67.05521	0.4
69.03437	1.2
69.07066	0.5
69.47379	2.0
69.47790	0.8
70.06606	0.9
71.04994	1.9
71.57931	0.3
74.88058	0.4
79.05492	1.0
81.03419	21.7
81.07063	0.8
81.64626	0.4
85.02905	4.5
85.72366	0.4
91.05474	1.2
93.07055	0.5
95.04972	0.9
95.08591	0.6
97.02891	9.9
99.04459	4.1
99.09092	0.4
103.03938	0.5
105.04488	1.0
107.04959	50.0
108.05272	0.5
109.02882	100.0
109.10155	0.6
110.03177	0.7
127.03920	56.9
128.04230	0.5
139.03912	5.0
145.04950	0.5
159.92459	0.5
169.04970	29.4
170.05272	0.5
180.94841	0.4
187.05974	1.6
211.06023	1.5
229.07077	15.8
229.09343	0.8
246.37570	0.4
271.08017	1.1
289.09167	9.0
525.85822	0.5
617.96112	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
57.03422	1.4
57.07080	18.2
59.05001	2.8
62.06092	0.5
65.03960	0.6
67.05509	23.6
69.07071	10.6
70.10856	1.8
71.05003	2.6
71.05316	0.4
71.08637	13.1
75.00274	0.4
79.05499	4.7
81.07063	37.9
83.04996	0.6
83.08627	5.9
85.06546	6.0
85.10193	7.0
87.04459	0.5
91.05488	3.4
93.07049	2.7
95.08613	41.0
97.06518	1.3
97.10175	2.9
98.98479	0.7
99.08104	1.3
99.11730	0.9
103.97842	0.4
105.07027	2.7
107.08602	0.8
109.10170	4.8
115.71414	0.4
117.09148	0.7
119.08584	2.1
121.10163	2.0
123.11707	3.3
129.65758	0.5
137.13272	1.9
141.86969	0.4
147.11732	4.6
155.01068	0.6
165.12775	2.9
183.13959	1.1
201.14784	1.2
208.16968	6.6
226.17999	6.4
232.09566	0.4
239.23694	2.1
257.17456	2.4
282.28104	2.1
286.03281	0.5
288.13715	0.5
306.14517	2.5
313.27371	3.0
324.15875	1.2
362.17407	2.1
380.18353	4.4
495.40482	100.0
496.40894	2.7
618.41315	9.4
619.41064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1759
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.03946	3.5
55.01844	1.0
57.03424	2.5
61.02921	0.6
64.17899	0.6
66.98615	0.5
68.34497	0.6
68.87489	0.6
69.03431	7.3
69.17576	1.0
69.17986	4.7
69.54660	0.5
71.04998	12.0
73.02914	1.2
81.03422	12.2
83.04961	1.6
85.02908	20.9
97.02890	7.2
98.20682	1.2
99.04439	3.0
103.03920	0.7
107.02144	0.5
109.02882	15.7
111.00845	0.7
111.04440	2.0
121.02862	2.5
127.03922	16.4
127.08650	0.5
129.05438	2.7
137.02406	0.5
139.03847	1.1
144.96321	0.6
145.04956	2.3
153.01840	2.8
165.01825	1.5
169.04912	1.6
175.04053	0.6
181.20647	0.7
183.02835	0.8
187.06027	10.2
205.06990	1.9
213.05495	1.6
229.07129	2.4
231.06497	0.8
237.07590	0.6
247.08211	1.0
258.05347	0.6
287.05505	100.0
288.05768	1.9
329.06540	1.1
384.54211	0.6
395.07639	0.8
398.69455	0.6
466.02200	0.5
491.11896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1768
Annotation	Multiflorin A
Peak:m/z	Relative Intensity
53.03939	1.4
55.01866	0.8
55.05506	0.9
57.03444	6.7
59.88315	0.5
60.56426	0.5
61.02925	2.6
62.09541	0.5
69.03439	19.9
70.06619	0.7
70.81681	1.2
71.05003	44.9
73.02905	1.1
74.36811	0.5
75.04478	1.7
78.87480	0.5
81.03426	7.7
82.45941	0.6
83.01362	1.4
83.04996	7.3
83.26125	0.8
85.02915	63.0
87.04487	1.4
97.02907	13.8
98.20858	0.6
99.04455	6.2
101.46060	0.5
109.02897	45.2
111.04447	5.6
115.03947	0.6
120.93140	0.5
121.02879	2.5
127.03939	27.3
129.05492	17.9
139.03917	3.7
145.04985	7.8
147.04482	0.7
147.06578	3.3
153.01828	3.0
165.01862	1.0
169.04999	8.6
173.36134	0.6
183.02852	1.0
187.06032	11.6
189.07588	1.6
194.95137	0.6
203.07231	0.6
205.05167	1.4
205.07108	23.7
213.05443	1.3
215.17297	0.5
229.07460	0.6
261.06018	0.8
287.05539	100.0
299.04681	0.6
329.06671	0.9
390.16422	0.6
409.37704	0.8
421.89871	0.6
462.05286	0.6
537.79456	0.7
664.81982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1763
Annotation	Fujikinetin 7-O-laminaribioside
Peak:m/z	Relative Intensity
56.05027	2.1
69.03424	8.2
70.06606	10.6
71.05000	1.9
71.51242	2.1
72.08150	2.1
79.01843	1.7
81.03407	8.3
84.08150	4.3
85.02908	25.0
86.09727	8.2
91.05477	2.6
93.21133	1.6
97.02887	8.2
99.04456	3.7
103.05463	6.0
105.07017	2.5
107.04969	2.0
109.02882	18.9
110.07189	3.0
119.04951	6.0
120.08092	4.5
121.02876	34.0
127.03921	17.8
129.10217	3.8
131.04936	6.0
136.07510	2.3
137.05994	2.4
145.02844	2.7
145.04985	2.2
146.29311	1.7
147.04439	3.5
161.06024	3.0
163.03935	4.7
165.01808	4.3
177.01828	5.5
179.03305	2.2
185.05775	2.0
187.03961	2.5
187.06017	5.5
189.01854	6.5
191.03365	5.3
199.04025	2.2
203.03419	4.0
205.07053	14.5
207.02914	5.6
215.03279	2.7
219.02913	7.9
220.33971	1.7
229.04840	1.7
257.04413	2.1
263.06866	2.0
267.06592	4.9
268.07202	3.6
271.06018	7.7
279.06412	4.0
280.07336	2.2
281.08078	9.0
283.06006	58.2
284.06796	20.8
285.07513	1.8
291.06403	2.6
293.08014	2.2
294.05267	23.4
295.06015	45.7
295.09344	2.7
296.06674	4.4
297.04483	2.8
297.07471	13.2
299.05551	9.4
307.06021	40.0
308.06839	17.4
309.07632	20.2
311.05505	2.8
313.07080	100.0
319.06204	8.7
319.09479	2.1
320.06656	2.1
321.07544	12.0
322.08392	7.6
323.05560	4.0
323.09177	9.3
325.07080	90.4
327.08502	3.5
333.07574	10.3
335.09186	4.2
337.07077	84.3
339.09012	2.1
346.08762	2.0
347.09091	7.7
349.07132	12.9
350.07443	2.7
351.08643	23.0
355.08176	34.5
361.07056	12.0
363.08517	2.4
365.10474	11.4
367.08194	31.3
373.07288	4.5
375.08646	5.9
379.08167	61.6
380.08200	2.9
385.07016	2.0
391.08206	18.3
393.09708	3.1
397.09238	50.1
403.08188	20.5
409.09256	4.7
415.10187	16.6
421.09207	42.2
427.10043	2.5
439.10159	4.0
445.08853	4.5
451.10156	21.0
457.11136	5.9
463.10220	20.8
475.12402	88.0
481.11343	27.3
487.12280	18.4
499.12384	38.4
517.13501	23.7
523.11542	3.1
541.13483	24.8
571.14282	7.6
583.13971	4.1
601.15631	14.1
619.16498	6.9
637.17566	30.3
651.65143	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1768
Annotation	Fujikinetin 7-O-laminaribioside
Peak:m/z	Relative Intensity
53.03939	0.6
55.01887	0.4
57.03442	0.8
57.90062	0.4
69.03436	1.8
70.06593	0.6
70.96957	0.8
72.10289	0.4
76.79838	0.5
81.03429	2.0
85.02911	8.7
91.05502	0.5
93.03390	0.5
97.02883	1.3
99.13642	0.5
109.02882	5.2
119.04951	2.8
121.02879	4.7
124.32133	0.5
127.03932	5.6
131.04860	0.4
137.05965	0.6
145.02811	1.3
147.04332	0.5
148.58267	0.5
149.02374	3.0
151.90074	0.5
163.03883	0.9
165.01836	2.4
167.03426	2.0
169.05000	0.6
177.01857	2.8
177.27049	0.4
187.05998	1.0
189.01814	0.7
191.03354	0.7
191.39249	0.5
195.02890	1.8
205.07117	4.2
211.07527	0.5
229.05032	0.9
239.07079	3.3
251.31921	0.5
267.06540	29.7
268.07098	0.7
270.05170	1.8
271.06052	4.5
281.08026	2.4
283.06030	27.3
284.06781	7.8
285.07584	0.9
295.06033	100.0
296.06390	1.9
297.04028	1.0
297.07538	1.2
299.05560	0.9
305.08063	0.6
307.06082	2.2
308.06732	0.8
309.04153	1.1
309.07562	6.4
313.07077	89.8
314.07489	1.3
321.07626	1.9
323.09192	1.5
325.07245	1.4
327.08807	0.7
333.07697	1.4
335.05499	0.6
337.07092	11.0
349.07019	3.8
351.08670	0.9
355.08139	13.6
361.06934	2.5
362.07336	0.5
367.07993	2.3
379.08136	5.3
391.08020	0.9
397.09247	4.5
409.09644	0.5
415.10303	6.9
421.08929	0.6
433.10852	1.0
445.10974	0.7
457.11356	17.4
463.22418	0.5
469.10916	0.9
475.12439	12.0
487.12631	0.6
499.12390	2.3
511.12225	0.5
517.13489	24.8
523.12097	0.9
529.12836	0.7
541.13416	1.8
559.14355	2.1
571.14563	0.7
577.15601	4.4
619.16522	2.1
637.17572	13.8
637.28033	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44506	0.6
53.03938	1.2
55.01865	0.6
55.05511	13.8
55.22455	0.7
57.03418	0.9
57.07079	17.9
62.60520	0.7
65.17567	0.7
67.05506	10.3
69.07069	16.7
71.04968	1.2
71.08633	13.8
75.20277	0.7
79.05494	3.7
81.07059	13.3
83.04973	0.7
83.08620	18.3
85.06570	0.9
85.10184	5.8
91.05488	1.3
93.07052	7.2
95.08605	14.2
97.06545	3.7
97.10153	4.4
97.25717	0.6
98.98447	1.4
101.05999	1.1
105.07010	0.9
107.08581	5.6
109.10172	6.9
111.08069	3.0
112.07294	0.8
119.08565	0.8
121.10102	3.3
123.11727	2.1
124.01640	0.9
125.09623	1.1
125.13315	0.8
127.23475	0.6
137.13286	0.9
149.13240	9.1
151.07614	0.9
155.01051	1.6
167.14323	6.4
179.17914	0.9
185.15379	2.3
209.18822	0.7
228.19591	4.7
228.98529	0.8
239.23636	4.0
241.18005	17.1
259.19263	1.9
282.27951	1.2
303.74149	0.7
313.27426	3.8
318.55545	0.8
393.23965	0.8
497.42026	100.0
498.42365	2.3
639.40076	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.6
55.01850	1.4
57.03436	1.5
59.67463	0.8
65.03933	1.2
66.61744	0.8
68.99778	0.9
69.03428	12.1
71.04994	2.6
72.05319	0.9
73.02927	1.1
81.03421	41.6
83.01329	1.4
85.02908	9.4
91.05484	85.6
93.07049	0.9
97.02897	10.7
99.04450	8.2
103.03947	1.5
105.03376	1.6
105.07018	2.6
109.02883	47.2
115.03921	1.1
115.05444	7.4
117.07005	4.0
118.81322	0.8
119.04952	1.3
119.22939	0.9
125.02355	1.6
127.03921	100.0
128.04234	1.5
129.39006	1.0
133.06494	6.2
139.03918	1.8
143.04936	3.3
145.04973	1.9
145.06503	2.4
161.05988	54.9
169.04970	23.3
171.04449	7.0
172.26900	0.8
175.04004	0.9
179.07050	15.9
186.64656	0.8
187.06039	8.1
189.05473	3.2
221.08131	2.0
229.07071	4.7
233.08014	1.0
269.08017	1.4
271.08136	1.1
287.09171	2.8
289.09351	1.3
305.10245	5.7
315.08490	1.8
321.18903	0.9
333.09647	1.8
347.11227	1.7
519.15106	1.8
644.19067	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01870	2.3
57.03423	1.9
61.67121	0.7
65.03954	1.4
65.09245	0.7
68.99805	0.8
69.03433	13.1
70.07099	2.8
71.05005	3.5
73.02903	1.2
76.39680	0.6
81.03421	43.8
83.01337	1.0
85.02905	9.5
91.05483	85.5
92.05827	0.9
93.07033	1.0
97.02892	12.1
99.04456	8.6
101.02354	0.9
103.03969	0.8
103.05450	0.9
103.22335	0.8
105.03407	1.7
105.07057	1.8
107.04962	2.4
107.08575	0.8
109.02883	51.0
111.04451	1.1
115.05448	5.9
117.07025	5.0
119.04912	1.0
119.30947	0.8
125.02340	1.2
127.03919	100.0
128.04233	1.1
129.26289	0.7
130.53008	0.9
133.06470	7.6
139.03899	1.8
141.05496	0.8
143.04918	3.5
145.04997	4.8
145.06497	2.3
151.03941	1.1
161.05983	64.4
165.05487	0.9
169.04974	19.7
169.08736	0.7
171.04422	7.2
179.07042	15.0
187.06032	8.7
189.05484	3.5
199.07605	1.5
205.04924	0.8
221.08046	1.3
227.65129	0.7
229.07074	4.5
233.08180	1.2
235.06088	1.3
251.17885	0.7
253.07169	0.9
269.08130	1.7
271.08008	1.3
287.09213	2.9
289.09207	1.0
305.10175	6.9
315.08643	2.0
319.30338	0.8
347.11212	2.2
362.01489	1.0
402.05951	0.8
459.12866	1.3
477.13956	1.0
519.14935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.6
53.03948	4.4
55.01870	2.1
57.03435	1.8
61.02929	0.6
62.37234	0.5
65.03941	1.2
65.51852	0.5
69.03430	16.5
70.35721	1.5
71.01362	1.0
71.05004	3.4
73.02867	0.5
75.51369	0.4
81.03420	33.0
83.01339	1.5
83.04980	0.7
83.09283	0.5
85.02908	11.0
91.05484	74.9
92.05834	0.7
95.04993	0.9
97.02893	13.6
98.12588	0.5
98.21287	1.1
99.04462	7.7
101.02412	0.5
103.03938	1.1
105.03391	1.6
105.07027	1.7
107.04957	1.9
109.02883	41.9
111.04453	0.7
113.02360	0.5
115.05453	4.7
117.07008	5.1
119.04947	1.7
120.62031	0.5
121.02870	1.2
123.04420	1.4
125.02376	1.0
127.03919	100.0
129.07060	0.8
133.06493	5.9
135.79448	0.5
137.06047	0.6
139.03885	1.6
143.04913	2.9
143.08501	0.5
145.04942	3.5
145.06512	2.7
147.04372	0.5
151.03941	1.1
155.08804	0.5
161.05986	48.1
163.03947	0.8
165.05429	0.7
169.04967	20.3
171.04410	6.7
171.08177	0.6
175.03929	1.6
179.07033	19.0
187.06013	11.0
189.05467	2.4
193.04945	1.5
199.07516	0.9
211.06001	0.7
217.05023	0.7
221.08121	0.6
229.07086	3.8
235.06046	2.0
245.08093	0.7
249.07574	0.7
253.07137	1.3
269.08041	1.4
271.08102	0.9
287.09024	2.9
289.09320	1.3
291.21732	0.6
305.10294	2.4
315.08655	1.5
323.11212	1.1
327.45670	0.6
333.09711	1.1
347.11246	2.3
365.12045	0.7
375.10461	0.7
519.15155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.6
53.03946	6.1
55.01860	1.7
57.03433	1.6
65.03946	0.7
69.03429	12.9
69.03782	1.3
69.60664	1.6
69.61073	2.4
71.01360	1.2
71.04989	2.7
73.02917	1.5
81.03420	44.5
83.01347	1.1
85.02911	8.8
89.88549	0.6
91.05484	86.4
92.05836	0.7
97.02893	11.7
98.21543	0.7
99.04457	9.1
103.03931	0.9
103.05475	0.8
105.03394	1.7
105.07028	2.5
107.04977	5.7
108.05315	1.0
109.02882	48.7
111.04455	0.7
115.03947	0.6
115.05452	8.1
117.07040	5.2
119.04962	0.9
125.02412	1.0
127.03919	100.0
133.06514	6.5
138.67912	0.8
139.03917	1.2
143.04916	4.3
145.04984	2.7
145.06468	1.8
157.06526	0.7
161.05986	66.1
162.06380	0.9
165.05252	0.7
169.04973	20.7
171.04396	7.3
179.07048	16.8
187.06026	10.6
189.05470	3.4
195.54434	0.7
199.07732	0.8
205.07007	0.7
207.06502	0.8
209.06215	0.7
217.05023	0.7
221.08205	1.4
229.07047	4.4
233.08055	1.1
235.06044	0.9
253.06989	1.3
269.07996	1.4
271.08093	2.0
287.09189	4.0
289.09055	1.8
305.10211	5.4
315.08551	1.7
333.09787	1.2
347.11139	1.8
519.14789	0.9
525.94513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36161	1.1
51.02384	1.6
53.03953	12.0
55.01869	2.9
55.05516	9.0
57.00156	1.5
57.03426	5.6
57.07077	2.8
61.02922	1.6
65.03940	5.1
67.05510	51.9
69.03093	1.7
69.03435	21.3
69.07072	12.3
70.06573	1.6
71.01346	1.6
71.04200	1.3
71.05001	29.7
71.19591	2.8
73.02918	1.4
79.05073	2.0
79.05504	31.9
81.03427	64.1
81.07064	72.5
83.01345	1.8
83.04988	9.1
83.08163	1.2
83.08622	9.1
85.02906	14.7
85.06548	8.2
91.05487	100.0
93.06484	2.4
93.07054	33.3
95.04989	7.4
95.08609	15.3
97.02894	20.6
97.06530	7.7
99.04456	11.5
99.08063	1.4
103.05450	1.9
105.03398	1.8
105.07031	16.7
105.10780	1.5
106.02512	1.2
107.04954	2.8
107.08603	24.3
109.02893	47.3
109.06496	5.2
109.10169	4.9
111.04449	5.0
111.08085	3.3
113.09644	1.4
115.05448	7.4
117.07043	11.5
119.04945	1.5
119.08573	5.5
121.06501	2.6
121.10155	11.6
123.04381	1.6
123.11721	7.8
125.02405	1.6
125.05922	1.6
127.03929	93.4
129.07022	3.2
131.08542	7.9
133.06479	5.3
133.10167	14.3
135.08124	2.1
135.11685	5.0
143.04944	2.7
143.08575	2.0
145.04993	3.1
145.06485	3.3
147.11682	5.1
149.13277	21.4
151.11189	3.8
157.05035	1.4
157.10130	1.8
159.08133	1.3
159.11726	10.1
161.05997	50.5
162.06442	2.0
163.11264	1.4
169.04971	18.3
169.12231	1.9
171.04391	5.5
173.04485	6.7
175.11226	1.8
177.12822	7.5
179.07040	16.6
179.14310	1.5
183.13824	3.8
187.06046	7.8
187.13284	9.7
195.13853	9.6
201.14926	3.3
213.14745	1.7
225.14780	2.4
229.07072	3.5
267.16098	1.7
269.17560	9.7
283.19107	2.7
287.09387	1.6
297.17108	2.2
303.15732	2.6
305.10291	3.8
321.17010	3.6
339.17899	7.4
347.11234	3.0
377.19333	2.2
395.20724	4.1
421.29648	1.5
427.22858	1.8
435.31039	2.0
437.28995	14.1
451.30469	7.3
453.32355	3.0
463.30624	3.7
495.33005	6.7
563.31952	1.9
607.35022	12.4
639.37329	28.9
640.37500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36161	1.1
51.02384	1.6
53.03953	12.0
55.01869	2.9
55.05516	9.0
57.00156	1.5
57.03426	5.6
57.07077	2.8
61.02922	1.6
65.03940	5.1
67.05510	51.9
69.03093	1.7
69.03435	21.3
69.07072	12.3
70.06573	1.6
71.01346	1.6
71.04200	1.3
71.05001	29.7
71.19591	2.8
73.02918	1.4
79.05073	2.0
79.05504	31.9
81.03427	64.1
81.07064	72.5
83.01345	1.8
83.04988	9.1
83.08163	1.2
83.08622	9.1
85.02906	14.7
85.06548	8.2
91.05487	100.0
93.06484	2.4
93.07054	33.3
95.04989	7.4
95.08609	15.3
97.02894	20.6
97.06530	7.7
99.04456	11.5
99.08063	1.4
103.05450	1.9
105.03398	1.8
105.07031	16.7
105.10780	1.5
106.02512	1.2
107.04954	2.8
107.08603	24.3
109.02893	47.3
109.06496	5.2
109.10169	4.9
111.04449	5.0
111.08085	3.3
113.09644	1.4
115.05448	7.4
117.07043	11.5
119.04945	1.5
119.08573	5.5
121.06501	2.6
121.10155	11.6
123.04381	1.6
123.11721	7.8
125.02405	1.6
125.05922	1.6
127.03929	93.4
129.07022	3.2
131.08542	7.9
133.06479	5.3
133.10167	14.3
135.08124	2.1
135.11685	5.0
143.04944	2.7
143.08575	2.0
145.04993	3.1
145.06485	3.3
147.11682	5.1
149.13277	21.4
151.11189	3.8
157.05035	1.4
157.10130	1.8
159.08133	1.3
159.11726	10.1
161.05997	50.5
162.06442	2.0
163.11264	1.4
169.04971	18.3
169.12231	1.9
171.04391	5.5
173.04485	6.7
175.11226	1.8
177.12822	7.5
179.07040	16.6
179.14310	1.5
183.13824	3.8
187.06046	7.8
187.13284	9.7
195.13853	9.6
201.14926	3.3
213.14745	1.7
225.14780	2.4
229.07072	3.5
267.16098	1.7
269.17560	9.7
283.19107	2.7
287.09387	1.6
297.17108	2.2
303.15732	2.6
305.10291	3.8
321.17010	3.6
339.17899	7.4
347.11234	3.0
377.19333	2.2
395.20724	4.1
421.29648	1.5
427.22858	1.8
435.31039	2.0
437.28995	14.1
451.30469	7.3
453.32355	3.0
463.30624	3.7
495.33005	6.7
563.31952	1.9
607.35022	12.4
639.37329	28.9
640.37500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.6
62.49789	0.5
67.05502	1.4
69.07060	0.9
71.52280	0.7
79.05470	1.2
81.07071	3.4
91.05493	1.1
93.07064	2.3
95.04968	0.7
95.08619	1.8
105.07042	1.9
107.08617	1.7
109.02660	0.8
109.10162	0.8
119.08601	1.4
121.10152	1.1
133.10153	0.7
135.11757	0.8
145.10153	0.6
147.11703	1.2
155.54919	0.5
157.10185	0.7
159.11684	0.7
163.25264	0.5
173.36159	0.5
187.14900	0.7
201.16388	0.6
207.44719	0.5
242.12395	0.6
325.77863	0.6
343.39264	0.5
475.28290	1.8
489.29666	1.8
533.32343	2.5
547.33966	4.5
551.64899	0.5
581.36108	16.8
621.38989	1.5
639.40228	100.0
640.41016	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	640.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.5
55.01868	4.1
55.05510	27.9
57.03428	7.7
57.07080	15.1
65.03951	2.1
67.05499	33.2
69.03428	30.7
69.07069	61.3
69.52687	4.0
69.53103	13.4
70.06586	6.8
71.04990	14.8
71.08632	2.8
79.05499	18.6
81.03419	52.6
81.07059	100.0
82.03767	3.4
83.04967	9.5
83.08620	29.4
84.04469	2.2
84.08103	3.2
85.02905	46.0
85.06544	11.7
86.09695	3.4
91.05479	49.7
92.05786	12.0
93.07040	30.6
95.04969	7.6
95.08605	85.6
97.02892	22.1
97.06520	7.6
97.10154	18.9
98.20901	4.9
98.21552	4.0
99.04445	15.5
99.08085	5.7
103.03946	3.1
105.07037	22.8
107.04982	15.8
107.08596	33.1
108.05256	2.6
109.02884	53.7
109.06509	6.7
109.10156	62.7
110.03202	5.3
111.04423	14.1
111.08082	7.3
111.08789	2.2
111.11709	12.0
112.06163	2.0
113.09655	4.6
115.05472	4.8
117.06999	7.7
119.04965	3.1
119.08572	20.2
121.06520	5.5
121.10139	25.6
123.04430	4.6
123.08041	4.1
123.11702	60.2
125.09644	11.4
125.13239	4.8
127.03913	96.7
128.04283	11.8
129.05441	4.6
129.06961	4.0
131.08557	6.8
133.06485	5.7
133.10126	19.7
135.08009	3.8
135.11700	23.9
137.05971	6.4
137.09625	4.1
137.13249	16.3
139.07547	2.6
139.11174	9.3
143.08591	4.8
145.04929	7.0
145.10110	8.2
147.11690	15.0
149.09636	3.8
149.13268	17.5
151.11197	6.4
151.14848	5.8
153.12650	4.8
155.10487	2.1
157.10120	5.5
159.11688	8.5
161.06027	21.9
161.13235	10.0
162.06323	15.6
163.07593	3.5
163.11182	2.9
163.14822	14.0
165.12729	3.3
165.16435	13.2
167.07014	4.4
167.14265	2.7
169.04944	9.6
170.05313	2.5
171.04480	4.6
171.11687	4.0
173.13283	5.8
175.11133	5.0
175.14801	10.6
177.12805	3.3
177.16370	4.0
179.07050	5.7
179.14363	2.8
180.07372	3.9
181.05011	3.7
181.15887	3.9
187.06010	5.4
187.14793	4.5
189.09070	2.2
189.16386	7.0
193.15964	3.6
199.14854	3.1
199.16740	2.7
203.17857	3.2
205.12187	2.7
205.19548	3.0
208.06996	3.0
215.14351	3.0
230.38918	2.5
243.21156	3.9
245.22624	25.5
261.22153	10.5
263.23700	60.5
273.11298	4.6
275.23920	2.8
279.23267	11.7
281.24734	13.6
287.23468	3.2
299.25903	2.3
303.23184	4.3
329.24854	3.1
339.12384	3.7
343.26306	6.1
353.24664	7.2
361.27469	2.8
371.25790	28.3
389.26892	40.4
407.27942	83.2
425.29034	75.1
426.29120	3.0
443.29971	22.6
594.97772	3.2
613.68738	2.4
641.21960	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1713
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
50.51752	0.4
53.03934	0.6
53.62461	0.4
55.01870	0.8
56.65915	0.4
57.03429	1.9
59.21733	0.4
60.18668	0.4
61.02923	1.8
65.03946	0.7
69.03433	5.1
70.06581	1.8
71.04984	1.7
71.51094	0.5
71.51509	0.6
73.02928	0.7
79.05486	0.7
81.03427	2.4
83.01341	0.6
84.08153	1.3
85.02911	24.1
86.09698	1.7
91.03960	0.5
91.05471	2.1
92.02644	0.9
93.03433	0.6
97.02908	6.5
97.94825	0.5
99.04461	0.8
104.41850	0.4
105.07002	0.7
107.04970	2.7
109.02882	2.6
119.04956	1.5
121.02896	1.0
121.30684	0.4
126.07924	0.5
127.03930	4.3
129.05469	0.4
137.05977	0.7
139.03897	1.3
145.02916	0.7
145.04962	4.9
147.04431	1.8
149.02400	0.5
150.15068	0.5
151.03903	0.8
153.01834	7.3
165.01852	0.7
167.07008	0.8
171.87944	0.4
175.03923	2.5
177.05479	1.5
203.03453	0.6
207.06522	4.8
217.05038	0.9
218.05840	0.7
228.04199	1.8
229.04982	3.9
245.04477	0.8
246.05206	1.4
257.04529	1.9
273.03879	1.3
274.04745	4.3
285.03995	4.2
302.04221	12.0
303.04971	0.6
313.07382	0.6
317.06583	100.0
318.07095	1.0
329.06622	0.5
339.12152	0.7
359.07693	0.7
379.29871	0.5
540.18542	0.5
641.22113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1715
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03940	0.4
55.01861	0.2
55.58640	0.1
57.03431	0.5
57.77509	0.1
59.32240	0.1
61.02928	1.1
65.03944	0.2
69.03434	2.4
70.06606	0.2
70.27081	0.3
70.27457	0.3
71.04980	0.3
73.02920	0.3
81.03419	1.1
85.02909	6.6
87.04471	0.2
87.08224	0.1
89.89171	0.1
91.03956	0.2
92.02629	0.4
93.03400	0.8
93.73289	0.2
96.59921	0.1
97.02897	2.2
99.04437	0.3
109.02903	0.7
111.00806	0.3
121.02865	0.7
126.03085	0.2
127.03939	1.3
137.02295	0.3
139.03900	0.8
145.04936	0.8
151.03906	0.8
153.01846	5.1
163.03946	0.2
165.01848	0.6
166.02594	0.2
177.05530	0.3
183.03018	0.2
201.05482	0.6
203.03404	0.4
216.23709	0.1
217.05048	0.5
218.05663	0.3
218.42093	0.1
219.02982	0.2
228.04218	0.9
229.04976	2.3
243.06514	0.2
245.04567	0.8
246.05261	1.6
256.03848	0.2
257.04489	2.4
257.09952	0.2
260.03036	0.2
261.07578	0.4
271.06036	0.3
273.03937	1.2
274.04736	3.6
284.03168	0.4
285.03949	3.7
286.04483	0.2
287.02032	0.1
288.06281	0.2
301.03531	0.2
302.04233	10.9
317.06564	100.0
318.07013	1.4
371.88211	0.1
439.12085	0.2
479.11844	6.2
491.22440	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
56.96900	0.8
65.51403	1.0
67.05476	0.9
69.03412	1.1
69.46953	7.6
70.06577	1.0
81.03419	10.6
85.02912	2.1
88.95291	1.0
91.05483	6.0
92.05795	1.7
97.02892	2.6
99.04443	2.9
102.00620	1.0
105.07039	2.2
107.04235	1.1
107.04958	19.3
109.02898	8.5
115.05461	2.1
117.07003	2.4
119.04909	1.6
125.02155	2.7
127.03924	18.2
137.05969	1.8
145.04939	1.2
145.06563	1.8
161.05980	5.5
167.07059	1.1
169.04958	2.4
171.04379	7.7
181.04912	1.6
183.08104	1.0
187.06039	1.3
189.05423	1.9
195.08075	1.2
209.05920	1.4
226.71246	1.0
247.05798	30.5
251.05194	5.6
269.06326	4.3
285.11588	1.1
307.09711	0.9
311.07315	13.7
329.08429	26.9
517.12976	1.9
535.14258	100.0
536.14209	1.4
641.18158	8.3
641.46161	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	641.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.9
56.96900	0.8
65.51403	1.0
67.05476	0.9
69.03412	1.1
69.46953	7.6
70.06577	1.0
81.03419	10.6
85.02912	2.1
88.95291	1.0
91.05483	6.0
92.05795	1.7
97.02892	2.6
99.04443	2.9
102.00620	1.0
105.07039	2.2
107.04235	1.1
107.04958	19.3
109.02898	8.5
115.05461	2.1
117.07003	2.4
119.04909	1.6
125.02155	2.7
127.03924	18.2
137.05969	1.8
145.04939	1.2
145.06563	1.8
161.05980	5.5
167.07059	1.1
169.04958	2.4
171.04379	7.7
181.04912	1.6
183.08104	1.0
187.06039	1.3
189.05423	1.9
195.08075	1.2
209.05920	1.4
226.71246	1.0
247.05798	30.5
251.05194	5.6
269.06326	4.3
285.11588	1.1
307.09711	0.9
311.07315	13.7
329.08429	26.9
517.12976	1.9
535.14258	100.0
536.14209	1.4
641.18158	8.3
641.46161	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	641.5295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
54.71843	2.0
55.01877	2.5
55.05515	21.6
57.07074	7.0
65.03944	3.5
67.05506	42.5
69.03453	4.0
69.07068	27.4
69.26736	21.4
71.05000	5.4
71.08630	3.0
79.05495	40.6
79.19353	2.1
81.03383	2.3
81.07060	100.0
83.04988	5.4
83.08601	13.1
85.06551	3.0
91.05487	33.5
93.07050	76.2
95.04975	7.5
95.08613	82.5
97.06551	4.9
97.10171	7.2
97.41831	2.0
98.21521	4.4
103.05427	2.9
105.07032	63.5
107.08597	67.3
107.10081	2.3
109.06538	7.4
109.10166	63.6
111.08116	4.6
111.11736	3.1
116.06245	3.0
117.07022	10.8
119.08586	63.5
121.06532	2.5
121.10150	55.0
123.08081	6.9
123.11700	22.9
125.09656	8.5
127.90434	2.2
128.06209	3.8
129.07031	7.6
130.07787	3.1
131.08591	25.3
133.06395	2.9
133.10132	39.3
135.08070	3.6
135.11697	41.5
137.09628	7.7
137.13243	4.9
139.11214	2.6
141.07004	2.6
142.07837	3.6
143.08574	13.1
143.09515	2.8
144.09270	2.9
145.10126	35.8
147.11696	31.2
149.09622	24.2
149.13260	24.1
151.11160	5.0
155.08591	4.4
157.10133	17.6
159.11702	37.9
161.09706	3.9
161.13278	25.6
163.11223	5.0
163.14835	11.3
169.10118	7.5
171.11696	13.9
173.13300	22.4
175.11200	2.7
175.14813	23.2
177.12823	2.5
177.16385	9.6
181.10071	2.3
182.11011	2.5
183.11732	8.4
185.13245	16.3
187.14856	14.8
189.16386	14.3
191.17943	4.6
195.11702	5.3
197.13286	9.3
199.14874	14.5
201.16380	19.5
203.17964	8.8
205.15846	3.0
211.14804	7.3
213.16391	14.1
215.17955	9.3
217.19525	4.5
219.17308	3.3
225.02959	2.3
225.16388	8.5
227.17955	7.2
229.19592	5.7
231.17404	3.1
237.16190	2.7
239.17929	6.1
241.19638	5.2
243.21057	3.3
253.19467	4.2
255.21068	6.0
263.18167	3.1
267.21106	4.1
269.22488	4.4
281.22736	4.3
335.27609	3.3
399.76678	2.4
605.51056	2.9
623.51794	26.1
641.42896	4.4
641.52991	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	642.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.4
57.03432	3.5
57.07062	4.2
58.06607	2.3
59.37932	1.6
61.02923	2.2
65.03924	2.7
67.05508	20.7
67.55000	1.5
69.07072	7.9
69.67976	1.4
70.06599	11.5
71.05000	1.8
71.08620	1.5
79.05499	20.8
81.03405	1.7
81.07066	20.4
83.04987	3.3
83.08610	4.5
84.08101	2.3
85.02888	3.2
87.04477	1.7
88.07641	13.3
91.05488	19.2
91.06361	1.6
93.07047	16.1
95.04939	3.2
95.08611	16.5
97.06512	2.8
97.10168	1.8
98.20731	3.8
102.09196	10.7
104.10754	5.8
105.07048	20.9
107.04943	4.4
107.08607	9.4
109.06522	3.0
109.10158	4.8
111.04445	2.2
111.08128	1.9
117.07013	9.7
119.08565	10.6
121.06530	4.4
121.10144	7.1
123.08099	2.4
129.07036	7.5
131.08543	22.4
133.06528	3.1
133.10133	7.5
135.08069	3.3
135.11684	2.6
141.06992	4.0
143.08575	9.5
145.10097	12.9
147.08028	3.4
147.11710	2.5
149.02356	27.4
151.11108	1.9
155.08559	4.6
157.10170	6.5
159.11729	5.8
167.08546	1.9
169.10139	4.4
171.08026	2.0
171.11699	4.7
173.13231	2.2
175.11180	2.4
181.10156	4.4
183.11732	3.5
185.13269	3.2
187.14932	3.0
193.04976	39.7
195.11617	2.8
197.13213	1.7
211.14819	2.0
223.14763	3.9
247.17227	1.9
284.29474	28.2
305.98016	4.3
325.25156	3.7
335.23608	3.2
341.06631	5.7
343.26422	3.5
353.24796	11.6
359.07867	3.0
371.25967	9.4
385.09204	30.7
389.26862	7.1
427.28467	3.5
445.29514	100.0
446.29810	2.5
463.30560	45.3
546.68433	1.9
642.36273	58.1
643.37170	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	642.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00843	0.8
53.03947	1.1
55.01870	1.1
55.05527	5.3
57.03433	1.9
57.07053	1.2
61.02904	1.5
65.11061	0.9
67.05516	13.2
69.03419	1.2
69.07067	6.1
69.90350	5.0
71.08604	1.4
79.05499	12.6
79.68430	0.8
81.06594	1.0
81.07061	15.7
83.04965	2.0
83.08592	2.9
85.02892	2.6
85.06547	1.2
87.54144	0.9
91.05493	18.2
93.07051	15.0
95.04976	2.2
95.08068	1.2
95.08616	10.7
96.27574	1.0
97.02881	1.5
97.06531	1.2
97.10193	1.4
98.20781	1.1
100.11251	1.1
105.07047	15.4
107.05001	1.9
107.08607	7.3
109.06519	2.2
109.10163	4.1
111.08078	1.6
115.05479	1.5
117.07023	7.9
119.07832	0.9
119.08604	10.8
120.04377	0.8
121.06489	2.1
121.10126	3.9
123.08060	1.6
128.06229	1.9
129.07005	5.1
131.08578	13.8
133.06512	1.0
133.10138	7.4
135.08054	2.3
135.11732	1.6
141.06947	2.9
142.07782	1.0
143.08566	6.9
145.10138	9.0
146.36206	0.9
147.08040	2.1
147.11700	1.5
149.09641	2.0
155.08563	4.1
157.10114	4.1
159.11757	4.3
159.12863	1.0
161.09575	1.4
169.10123	3.2
171.11719	2.3
173.13222	0.9
181.10106	1.5
183.11734	1.6
185.13252	2.8
187.14784	1.4
193.10068	1.0
195.11694	1.0
197.13277	2.5
199.14771	1.0
211.14897	1.4
262.73370	1.0
300.26120	2.2
325.25342	1.3
335.23706	1.2
343.26141	1.6
353.24823	5.1
371.25842	6.0
389.26950	6.8
404.63126	0.9
427.28186	1.8
445.29541	100.0
446.29843	3.7
463.30554	30.4
589.33746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05516	4.6
57.03424	2.0
61.02929	1.6
67.05510	12.9
69.03416	1.0
69.07072	4.4
71.04993	0.9
79.05499	11.7
81.07058	12.3
83.04972	1.4
83.08626	3.0
85.02913	1.8
85.06551	0.9
91.03947	1.0
91.05486	15.8
93.07053	11.1
95.04975	1.8
95.08615	8.4
97.02880	1.0
97.06522	1.4
97.10165	1.2
98.20728	1.4
105.07037	14.8
107.04935	1.0
107.08586	5.3
109.06528	1.4
109.10167	4.0
117.07033	7.6
119.08590	10.2
121.06487	1.5
121.10135	4.8
123.08054	0.9
127.03916	0.8
128.06219	1.4
129.07018	5.7
130.07710	0.5
131.08571	14.6
133.06499	1.2
133.10124	6.3
135.08098	1.5
135.11676	1.5
137.09592	0.9
141.06984	1.7
142.07770	0.8
143.08571	5.6
145.06517	1.2
145.10136	7.5
147.08115	0.9
147.11717	1.9
149.09602	1.1
149.13213	0.6
155.08548	3.3
157.06502	0.7
157.10141	4.9
159.08073	0.7
159.11714	2.2
161.09583	0.9
161.13393	1.1
167.08559	1.4
169.10156	2.1
169.52765	0.6
171.11703	3.6
173.13268	2.4
175.11255	0.7
181.10106	1.5
183.11728	1.7
185.13289	1.6
187.14845	0.7
195.11646	1.2
197.13297	2.0
199.14833	0.7
201.12691	0.6
209.13249	1.0
211.14688	1.2
213.12740	0.8
225.16417	0.8
233.15398	0.7
237.16397	0.9
247.16980	0.8
261.18634	0.8
264.56079	0.6
335.23581	1.5
343.26172	1.3
353.24933	3.7
371.25827	5.9
389.26846	6.4
417.30157	0.7
445.29520	100.0
446.30026	2.9
463.30511	19.4
464.31113	0.9
542.39185	0.6
607.33936	0.7
639.82452	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.1
55.01884	3.7
55.05515	6.7
57.03438	2.8
57.07078	12.7
61.74377	0.9
64.32283	0.9
65.77685	0.9
67.05513	8.5
69.03417	1.3
69.07076	7.5
70.22014	0.8
71.08633	7.6
74.18261	0.9
79.05495	8.6
81.07056	31.3
83.04973	1.3
83.08637	5.1
85.10182	4.0
91.05487	4.8
93.07047	6.8
95.08606	13.1
96.08940	1.4
97.06541	1.1
97.10164	1.7
98.20770	1.5
100.46901	1.1
105.07021	6.0
107.08594	8.0
107.40800	0.9
109.06525	11.0
109.10181	7.6
111.04443	13.3
111.08095	1.8
119.08602	6.7
121.10133	7.6
123.08086	2.6
123.11703	4.1
124.85175	1.0
125.06002	3.7
129.07059	1.1
131.08577	2.7
133.10126	6.2
134.10495	1.2
135.08057	3.1
135.11674	6.3
137.05984	100.0
137.13326	1.8
143.08575	2.2
145.10107	3.5
147.08041	1.1
147.11713	6.6
149.09676	6.2
149.13312	2.9
151.07524	2.1
151.11182	2.0
157.10158	3.2
159.11694	2.6
161.09633	4.4
161.13278	4.0
163.11232	3.0
165.09161	2.3
171.11673	2.0
173.13339	1.6
174.13715	1.1
175.11205	3.6
175.14845	1.3
179.10660	2.2
189.12732	1.3
193.12242	1.3
198.17641	1.1
203.17975	6.5
208.35963	0.9
213.16432	3.4
231.17488	6.5
241.15796	1.3
249.18486	4.0
277.17999	50.8
295.19064	5.3
313.27374	26.8
351.21579	13.3
369.22702	1.2
589.44635	56.7
590.44373	1.7
607.45605	3.2
624.52606	1.7
642.53033	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	642.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76304	0.8
55.05513	3.3
57.07081	32.0
67.05504	2.7
68.66016	1.0
69.07066	7.4
71.05000	0.9
71.08638	30.2
71.51950	0.7
73.06555	8.2
79.05501	1.8
81.07062	6.4
82.07392	0.9
83.08638	5.7
84.42752	0.7
85.10191	20.1
87.04472	6.8
87.37699	0.9
89.06038	100.0
91.05482	2.0
91.07587	1.1
93.07051	4.6
95.08628	4.8
97.06496	1.0
97.10175	5.3
99.11722	2.3
105.07036	3.7
107.07074	2.5
107.08603	4.2
107.87556	0.8
109.10178	2.8
111.11732	3.2
113.13273	1.9
117.09142	6.8
119.08605	3.0
120.08953	1.4
121.10157	2.9
123.11721	2.1
125.13284	2.3
127.14865	1.0
131.07033	1.9
131.08560	1.2
133.08614	50.3
133.10187	2.1
135.11745	1.2
141.16437	1.9
145.10155	2.5
147.11697	2.2
149.09564	0.8
149.13200	0.8
155.18031	1.0
157.10146	1.0
159.11659	1.9
159.50960	0.9
161.11787	1.2
161.13239	1.6
173.13245	0.9
175.09622	1.1
175.14816	1.0
177.11238	20.6
211.24252	2.3
213.16585	0.9
221.13838	4.5
255.26892	1.6
265.16586	0.9
283.17587	1.5
299.29504	5.1
313.11844	1.0
327.19998	1.5
343.32053	2.7
415.25330	3.3
491.17017	0.9
625.49030	4.2
642.52374	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	643.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03937	1.2
55.01854	0.7
57.03441	0.4
61.02924	0.5
62.54140	0.3
68.99787	0.7
69.03438	2.9
69.48054	2.0
70.06592	1.0
71.04992	0.9
72.08153	0.5
72.14293	0.3
73.02921	0.5
79.05520	0.3
81.03426	4.4
83.05018	0.3
84.08136	0.9
85.02910	4.4
86.09706	0.5
87.00837	1.4
87.04510	0.3
95.04975	0.3
97.02906	2.6
98.21488	0.3
99.04483	1.4
105.01887	0.6
107.04965	9.9
109.02888	7.3
109.03612	0.5
111.04446	0.6
111.25920	0.3
112.51424	0.2
121.02905	0.5
125.02297	0.3
127.03926	100.0
128.04274	0.7
129.01851	0.6
129.10222	0.3
141.01875	1.4
145.04939	1.6
147.02936	0.7
151.03928	0.5
159.02937	0.5
175.03871	0.3
213.03976	1.1
231.05069	1.0
251.09265	0.3
315.05301	0.4
339.07266	0.5
357.08112	1.3
375.09277	0.8
501.12366	0.4
519.13477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01870	1.4
55.26415	0.5
56.05016	1.2
57.03421	0.7
60.04510	1.7
65.03944	4.4
67.05485	2.0
68.99754	0.6
69.03412	2.2
69.07060	0.7
70.06596	3.2
71.04985	0.8
71.50999	0.7
72.08131	1.9
73.02892	0.7
77.03899	0.7
78.04719	3.6
79.05485	3.6
81.03407	2.3
81.07039	1.2
82.04185	1.4
83.04974	0.7
84.04474	1.5
84.08150	6.7
85.02908	6.8
86.03369	0.6
86.09690	2.2
87.05563	0.8
89.03912	1.0
91.05489	5.6
93.03402	1.6
93.07057	1.3
95.04976	2.7
97.02888	1.6
97.06507	1.2
99.04411	0.6
100.53225	0.6
103.05473	5.8
105.03394	1.4
105.04522	0.6
105.07040	3.3
106.04160	2.3
107.04968	7.0
108.02098	0.8
108.60239	0.5
109.02872	1.3
109.06532	1.0
109.10152	0.6
110.03657	2.9
110.07121	0.5
111.04438	1.1
112.08751	0.5
112.10178	0.5
115.05457	6.5
116.06216	0.6
117.07020	9.2
118.04129	1.0
118.16729	0.6
119.04945	1.5
119.08554	0.8
120.08117	3.3
121.02892	1.2
121.06540	2.8
123.04436	9.4
124.05256	3.0
125.06008	2.5
127.03910	1.3
127.05452	1.3
128.06232	0.7
129.07002	0.8
129.10265	2.9
130.04141	0.6
131.04933	5.3
131.08580	0.5
132.05708	0.9
133.02873	0.9
133.06462	3.0
134.03654	1.0
135.04405	1.4
136.05115	0.7
136.07614	0.8
137.05971	5.9
138.03119	1.8
140.04683	0.7
142.02615	1.5
143.04922	0.6
144.05673	0.8
145.06483	12.0
146.03636	0.6
146.35251	0.6
147.04387	1.9
147.07970	1.0
148.05182	3.9
149.02417	0.8
149.06001	4.3
151.03914	4.1
151.07538	1.4
152.04668	2.7
153.05495	3.3
155.06012	6.4
155.07033	0.7
159.04402	0.9
160.05232	1.1
161.06027	4.3
163.03888	2.2
163.07562	4.0
165.05479	2.3
165.06866	0.8
167.07050	100.0
168.07352	0.8
171.06529	2.0
173.06001	18.5
175.07564	1.7
176.04715	1.3
177.05507	6.1
177.09082	0.8
179.07062	1.0
180.07919	0.6
181.04967	57.5
182.05360	1.0
183.04312	0.5
187.07545	1.2
188.04787	0.9
191.07036	18.1
192.07687	0.6
193.05003	1.1
193.08656	0.7
195.06541	1.6
201.05527	1.4
203.07036	2.3
205.08627	6.3
207.06537	1.8
209.08037	4.1
211.07674	0.8
217.08559	1.1
219.10118	0.9
221.08087	0.8
225.07603	1.8
231.06505	1.0
233.08078	5.6
235.07474	1.1
235.09607	6.9
237.09152	0.7
263.06790	0.7
263.09106	3.2
264.07742	0.8
265.05432	0.5
265.08603	0.7
267.10156	0.7
272.10452	1.6
277.08627	0.6
279.10245	0.7
283.09537	1.0
285.11740	0.5
293.08118	0.8
296.06982	0.6
297.11319	0.8
303.12335	3.0
310.08423	1.4
325.10767	2.0
327.12109	0.8
329.13763	0.8
355.11771	0.6
356.16861	0.6
357.13419	6.1
369.13275	0.6
385.12851	27.8
386.13455	0.9
387.14435	6.4
399.14383	1.3
415.13885	1.2
417.15445	14.8
549.17633	0.7
643.23828	32.8
644.24017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11311	1.8
53.03948	7.7
55.05509	21.2
55.58017	2.0
57.07078	5.2
59.04973	2.1
65.03944	3.8
66.88345	1.9
67.05505	32.5
69.03440	3.6
69.07073	26.3
70.82391	4.9
71.04992	2.4
77.90250	2.3
79.05494	28.3
81.07059	100.0
82.07437	2.5
83.04977	4.9
83.08628	10.7
85.06540	4.0
91.05480	25.4
93.07046	58.2
93.07639	3.4
95.04977	4.7
95.08608	73.0
97.06533	6.8
97.10163	6.2
105.04551	3.2
105.07034	54.9
107.08600	58.8
109.06567	4.3
109.10162	61.2
111.08070	3.6
111.11732	4.4
114.54022	2.0
117.07002	5.2
119.08586	47.3
121.10145	51.1
123.08092	4.0
123.11726	24.7
125.09649	4.5
129.07014	3.8
131.08571	19.3
133.10139	34.4
135.11700	31.3
137.09608	4.1
137.13252	8.7
139.11203	3.6
142.07823	2.7
143.08594	8.0
144.09251	2.6
145.10127	28.5
147.11707	33.3
149.09634	7.7
149.13268	27.4
151.11160	6.1
153.12704	2.2
157.10139	13.7
158.10854	2.8
159.11723	29.3
161.13264	25.6
163.11256	3.4
163.14857	17.1
164.19078	2.5
165.12770	3.8
169.10109	3.8
171.11691	13.2
173.13278	18.6
175.14851	16.0
177.16403	9.2
179.14357	2.1
183.11739	4.9
185.13329	9.7
187.14832	15.1
189.16408	14.4
191.18044	3.5
197.13354	4.8
199.14809	12.3
201.16418	15.5
203.17935	12.3
205.15952	4.4
209.13309	2.6
211.14830	6.3
213.16359	10.3
215.17892	10.7
217.15916	2.1
217.19524	7.3
223.14801	3.0
225.16414	5.5
227.18037	5.9
229.19533	5.8
237.16402	3.1
239.18069	2.8
241.19637	2.7
243.21201	3.9
245.22650	3.1
251.17905	2.2
253.19582	3.6
255.21135	4.6
257.22595	4.1
267.21109	2.3
269.22678	4.2
271.24203	2.4
283.24197	2.4
295.24103	4.3
321.25562	2.0
323.27231	3.1
524.14215	2.1
525.52490	2.4
594.13324	2.0
607.52325	4.9
625.53339	26.5
643.45062	2.7
643.54633	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61431	2.5
53.03946	5.3
54.42706	2.2
54.43058	2.3
55.05511	17.1
57.07066	6.6
65.03928	4.7
67.05513	41.4
69.03426	2.9
69.07079	26.1
71.35752	2.7
71.36087	2.6
79.05492	30.8
81.07063	100.0
83.08618	9.6
89.06117	2.3
91.05482	31.2
93.07051	52.9
95.04979	8.0
95.08611	76.6
97.06569	4.5
97.10180	4.3
99.08109	3.5
105.07034	53.3
105.07697	3.9
107.08600	64.8
109.06551	5.0
109.10167	48.5
110.17311	2.7
111.08073	3.7
111.11728	4.7
111.32583	2.3
117.07012	8.3
119.08586	44.2
121.10152	39.8
121.10954	4.0
123.08077	4.4
123.11705	20.1
125.09675	5.8
129.07002	4.7
131.08609	16.9
133.10146	31.7
135.08081	3.1
135.11705	37.2
137.09651	3.1
137.13312	4.7
139.11208	3.0
142.07819	2.6
143.08578	8.6
145.10136	27.5
147.11694	28.4
149.13274	25.3
151.11159	3.5
153.12856	2.3
157.10156	14.0
159.11723	31.1
161.13255	16.6
163.14845	13.5
169.10129	6.3
171.11699	10.7
173.13274	19.2
175.14867	17.2
177.16359	9.4
179.14256	2.5
183.11673	3.9
185.13257	7.7
187.14832	14.2
189.16428	10.0
191.18028	4.0
197.13383	3.2
199.14844	9.9
201.16367	13.9
203.17982	9.0
211.14893	3.6
213.16425	8.1
215.17978	9.4
217.19466	4.3
219.52141	2.3
229.19371	3.0
239.18057	3.0
241.19585	4.3
243.20941	2.2
245.19267	2.4
269.22754	4.6
396.66293	2.4
547.47931	2.7
607.52008	4.0
625.53210	21.4
643.54388	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	643.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01878	2.6
55.05304	1.9
55.05516	20.4
57.07072	6.3
59.04991	2.0
62.12868	1.7
65.03942	3.3
67.05179	3.0
67.05510	40.2
69.03429	3.4
69.06725	3.0
69.07074	34.0
70.81771	4.5
73.34850	1.7
77.03908	2.7
79.05501	40.6
81.07063	100.0
83.04959	2.5
83.08639	9.9
85.06570	3.5
91.05485	30.2
93.07051	61.8
95.04961	6.2
95.08615	95.5
97.06519	6.8
97.10159	6.5
99.08062	1.9
105.04555	3.2
105.07039	56.4
107.08604	72.4
109.06540	5.8
109.10172	62.0
111.08088	4.3
111.11735	2.9
117.07045	7.7
118.77453	1.8
119.06100	2.2
119.08591	50.0
121.06557	2.1
121.10150	50.2
121.11018	2.6
123.08083	4.5
123.11718	24.9
125.09624	4.2
129.07031	2.6
129.49210	1.5
130.07759	2.2
131.08583	22.6
133.10138	39.5
133.11101	2.5
135.11702	37.3
137.09616	4.7
137.13272	6.6
139.11214	2.9
142.07819	3.5
143.08611	9.6
144.87697	1.6
145.10146	29.6
147.11696	37.6
149.09633	2.8
149.13274	27.4
151.11180	3.3
155.08565	3.8
156.09341	2.6
156.34953	2.0
157.10146	12.7
158.10796	2.2
159.11696	37.9
161.13275	21.8
163.14844	15.3
169.10158	6.4
170.11058	2.1
171.11729	11.5
173.13304	21.3
175.14857	15.0
177.16414	8.3
181.10117	2.4
183.11714	5.1
185.13214	9.0
187.14862	15.3
189.16437	11.8
191.17931	2.5
195.11646	3.4
197.13222	4.6
199.14868	13.5
201.16382	12.7
203.17995	7.9
211.14832	7.8
213.16406	11.5
215.18053	10.0
217.19530	5.5
219.17415	2.8
225.16284	3.9
227.17978	4.3
229.19550	5.4
231.21111	3.3
239.17908	2.6
241.19392	4.5
243.21251	3.5
253.19533	2.5
255.21191	2.7
257.22623	2.7
269.22574	5.0
271.24084	1.9
281.22659	2.6
283.24069	3.0
293.74615	2.5
355.30118	2.1
432.07239	1.9
539.45831	1.9
543.45276	2.5
607.52637	3.3
625.53827	19.3
643.54694	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	644.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62086	0.5
53.03933	0.8
55.01864	1.3
55.05518	0.7
57.03414	1.1
61.02921	1.5
67.05502	0.7
69.03429	3.8
70.06596	7.4
70.56126	1.3
71.04980	0.9
71.74483	0.5
72.08166	3.0
73.02895	0.9
73.27379	0.6
75.04461	0.9
78.17930	0.6
81.03426	3.2
81.07076	0.9
83.04977	0.6
84.04498	1.6
84.08151	4.1
85.02916	14.8
85.06480	0.6
86.03247	0.5
86.09702	3.5
91.03915	0.5
91.05489	1.5
93.07032	0.9
97.02906	4.4
99.04419	0.8
105.07029	1.2
107.04952	1.5
107.92963	0.6
109.02891	3.0
110.07137	1.1
110.09681	0.8
119.04935	0.7
119.08584	2.4
120.04456	0.9
120.08084	2.1
121.10090	0.8
122.06018	0.6
125.06048	0.6
127.03938	4.8
129.10237	2.2
131.04913	1.4
133.10046	0.7
137.05995	1.6
144.37381	0.5
145.04985	3.6
145.51733	0.6
147.04434	1.3
147.11656	1.4
151.03954	0.6
161.05986	1.1
163.03912	1.3
164.07106	0.6
166.08678	0.7
167.07039	2.5
168.07364	1.0
173.05969	0.6
175.03961	0.7
176.04720	0.9
177.05457	1.1
181.04947	1.8
182.81323	0.5
183.08078	2.3
185.06030	0.6
185.16504	0.8
187.07465	0.6
190.26552	0.5
191.07072	2.0
192.60841	0.5
195.08044	0.7
197.05899	1.1
199.07526	0.8
207.06422	0.6
211.07544	6.2
213.05486	0.6
223.03981	1.2
223.07600	1.3
225.05516	0.9
225.09071	1.2
226.09781	1.3
227.06996	1.7
229.08624	2.5
231.12328	0.7
239.07047	8.4
240.07901	1.5
241.04955	1.3
241.08646	1.7
242.09509	1.3
243.10165	0.9
245.08247	1.1
253.08641	2.0
254.09402	4.2
255.06442	2.1
255.10170	1.8
256.07318	0.9
257.05377	0.7
257.08105	13.8
257.11230	0.9
257.11734	0.8
258.08670	0.7
270.08899	1.0
271.09683	8.0
272.10452	82.7
273.07581	7.0
273.10968	3.2
285.11243	4.4
288.09906	15.0
296.10492	0.7
303.12286	100.0
304.12595	1.7
309.12012	1.0
314.11572	0.7
327.13177	1.6
369.13327	1.3
406.35870	0.6
429.15277	0.9
465.17468	2.5
473.16049	0.6
644.23688	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	645.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.9
53.49777	3.0
58.73919	2.9
68.65707	2.5
69.82391	5.6
69.82806	8.7
70.06588	2.9
81.03468	3.2
83.63210	3.0
91.05466	6.7
93.05797	4.3
93.07044	8.1
94.06579	12.4
95.04978	4.5
95.07345	7.8
96.08134	21.0
97.06559	2.9
98.21084	6.8
105.51640	2.8
106.06541	6.8
107.04983	16.8
108.08120	22.7
110.09688	35.1
120.04480	3.4
120.08118	22.2
120.49495	2.8
122.06032	9.5
124.07623	14.4
136.06696	1.7
136.07584	50.8
138.09161	33.7
144.04443	4.5
146.06012	14.0
148.07567	24.4
150.09131	7.4
152.07083	22.0
160.04034	3.4
164.07091	11.8
166.08659	67.0
167.07059	8.5
172.03967	31.5
176.07092	6.8
187.90880	3.4
190.04997	21.1
198.11551	7.8
204.06583	48.8
210.11548	10.4
211.08702	2.9
211.12299	16.7
212.09467	3.3
213.10442	3.2
218.08255	5.8
221.10696	4.3
223.12238	15.5
225.10242	18.7
225.13936	4.1
226.11024	9.1
227.11812	7.5
229.09811	3.3
229.13359	2.8
235.12401	5.8
236.09492	5.1
237.10184	19.8
238.11040	14.4
239.11781	19.2
240.12502	3.7
241.13435	3.3
246.07764	4.1
249.10255	13.5
250.10985	11.0
251.11835	25.5
252.08948	4.6
252.12659	6.4
253.09784	4.9
253.13426	8.5
255.11293	5.8
256.12033	9.4
257.12903	3.8
262.11029	9.6
263.11853	35.8
264.08920	5.9
264.12570	9.5
265.10001	15.5
265.13147	17.2
266.10437	13.1
267.11334	31.6
268.12000	4.2
269.12912	11.7
271.10727	4.1
271.14462	11.9
273.12360	6.8
277.09753	5.9
278.10568	9.7
279.11301	59.3
279.14377	4.2
280.11984	12.1
281.12933	20.2
283.10733	12.4
284.11633	16.4
285.12311	65.9
287.13937	4.8
289.15396	5.0
291.11316	22.4
292.11923	5.1
293.12811	25.3
295.10748	6.0
296.11652	7.7
297.12357	91.6
298.13098	6.2
299.13898	13.3
309.12415	39.6
310.13025	9.0
311.10239	11.4
311.13733	6.6
312.10834	4.8
313.11728	6.0
319.10800	23.4
321.12347	24.1
323.10376	18.8
325.11847	36.9
327.13452	19.3
337.11850	98.7
338.12238	3.8
339.13492	9.1
357.14459	11.5
358.19608	3.0
359.16220	6.1
360.17157	3.2
369.14429	6.1
371.16193	3.6
376.20300	3.9
390.18307	4.6
392.19626	5.1
396.62558	3.1
400.16907	3.4
402.18042	8.7
404.19803	9.5
412.16623	3.3
416.19638	3.7
420.19171	3.4
430.17639	13.6
432.19312	14.3
442.17572	2.7
446.20767	11.7
448.18710	60.7
449.19485	46.9
450.20279	38.6
460.18741	40.1
461.19287	3.8
462.20166	9.3
463.20822	3.0
472.18875	3.0
474.20230	6.9
476.18274	18.0
477.18768	16.2
478.19855	15.5
480.21246	4.2
490.19757	93.7
491.20499	21.5
492.21375	30.1
493.21902	5.3
522.22424	24.8
523.23090	14.3
567.26038	4.0
595.25629	21.6
613.26605	100.0
645.29315	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	645.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04171	2.3
55.05506	2.7
67.05499	3.6
69.62631	2.2
70.06587	2.2
79.05512	3.9
86.09693	3.2
91.05464	6.2
93.07046	7.6
94.06036	2.3
94.06564	14.2
95.04960	3.0
95.07345	7.5
96.08146	15.3
97.06515	3.1
103.05473	2.5
106.06574	5.1
107.04955	12.2
108.04453	2.6
108.08131	24.6
110.09686	24.4
120.04488	5.8
120.08119	23.2
122.06039	10.5
124.07607	13.7
134.06050	4.0
136.07584	43.0
137.05949	4.2
138.05577	2.8
138.09135	36.3
142.14139	2.1
144.04437	6.1
146.06012	11.4
146.09656	2.8
148.07576	26.3
150.09152	7.2
152.07056	23.4
160.03958	4.0
160.07596	3.4
162.05553	3.2
164.07106	9.3
166.08630	66.8
167.07082	5.8
168.07208	2.1
172.03937	29.4
174.05489	3.0
174.09161	2.6
177.05675	2.5
181.04955	4.3
190.04936	17.4
198.11490	6.4
199.12418	2.8
201.59802	2.2
204.06566	35.7
209.10895	3.2
210.11522	8.5
211.08620	3.3
211.12309	15.4
212.13087	4.1
213.10197	2.8
218.08212	4.1
223.08745	3.0
223.12352	14.2
224.12987	2.3
225.10284	13.7
225.13800	2.5
226.11073	8.2
227.11743	9.0
229.13353	4.7
235.08618	3.2
236.09383	3.8
237.10181	13.9
237.13863	2.4
238.10954	18.2
239.11754	18.3
240.12733	3.1
241.09816	2.5
241.13423	3.2
246.07683	4.9
248.09561	3.9
249.10306	17.0
250.11008	9.6
251.07986	3.1
251.11815	29.6
252.09076	2.7
252.12534	6.0
253.09677	3.7
253.13454	8.0
255.11401	5.9
256.12143	5.6
262.11014	5.0
263.09195	1.9
263.11801	33.4
264.08972	7.2
264.12592	7.6
265.09775	13.2
265.13269	14.0
266.10608	11.4
267.11310	36.9
268.11935	3.2
269.12833	13.3
271.10699	2.9
271.14410	11.5
273.12402	8.4
277.09778	6.7
278.10471	7.1
279.11267	52.7
280.11990	7.7
281.12921	18.1
283.10727	11.3
284.11615	19.5
285.12341	67.0
287.14050	5.7
289.15506	3.3
291.11362	26.2
292.11899	5.5
293.09589	4.6
293.12891	20.5
295.10815	6.0
296.11536	9.7
297.12335	78.8
297.15756	3.9
298.13040	6.2
299.13800	13.5
307.10699	3.7
309.12381	29.7
310.12946	6.5
311.10251	8.7
311.13794	5.2
313.11813	4.6
319.10916	16.6
321.12286	23.5
323.10291	14.7
323.13531	2.8
325.11914	33.3
326.12473	3.1
327.13416	20.6
336.81940	2.2
337.11823	78.6
339.13388	7.1
341.11475	3.6
343.12823	3.9
346.19168	3.0
357.14587	12.5
359.16071	5.1
367.12689	3.3
369.14722	3.3
376.20490	2.6
388.16476	2.6
390.18173	6.5
392.19586	3.6
402.17969	7.4
404.19699	8.8
416.19452	4.4
418.17215	3.2
430.17703	18.2
432.19220	15.2
433.19833	2.6
442.17282	4.3
446.20782	10.7
448.18710	52.9
449.19473	48.2
450.20224	38.2
460.18607	37.1
461.18915	3.1
462.20303	12.4
472.18875	2.9
474.20230	9.3
476.18320	17.9
477.19083	16.2
478.19879	18.1
480.21304	5.3
490.19751	86.6
491.20642	17.1
492.21280	22.6
493.22125	5.6
522.22388	27.5
523.22888	9.2
567.25885	3.8
571.25098	3.4
585.26923	3.8
595.25488	17.9
613.26581	100.0
614.27008	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	645.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.7
53.03943	6.1
53.37165	1.4
55.01850	1.3
55.05268	1.9
55.05515	17.5
57.07067	4.2
65.03940	3.5
67.05508	39.3
69.03422	2.5
69.07074	29.6
69.07435	1.0
71.00208	1.4
71.00569	3.1
71.04964	1.7
71.11594	1.3
79.05070	2.4
79.05496	32.2
81.07059	100.0
82.07418	1.6
83.04976	2.0
83.08618	10.6
84.42580	1.3
85.06535	3.3
91.05476	25.6
93.07048	61.9
95.04958	3.2
95.08610	82.0
96.18815	1.2
97.06523	3.5
97.10206	6.9
103.05464	2.2
105.04486	1.8
105.06327	1.4
105.07036	46.0
107.08598	67.3
109.06525	1.9
109.10167	54.4
110.87915	1.4
111.08094	2.6
111.11711	5.2
117.06998	6.7
119.08584	38.5
121.10150	49.8
123.08099	1.8
123.11724	24.4
125.09644	3.5
129.07024	2.4
131.08575	11.7
133.10149	30.9
135.11702	37.1
137.13239	6.2
139.11234	2.3
143.08560	5.5
144.09273	1.7
145.10129	19.3
147.11688	23.4
149.12073	1.6
149.13268	26.4
151.11249	1.7
151.14828	2.1
153.12733	2.5
157.10152	7.3
158.83051	1.2
159.11696	21.8
161.13263	20.9
163.14833	16.4
165.12718	1.4
169.10097	2.1
171.11743	5.2
173.13254	15.6
175.14819	14.9
177.16406	9.7
183.11768	2.3
185.13229	3.3
187.14893	11.2
189.16383	13.2
191.17955	5.0
193.15950	1.8
199.14828	6.0
201.16357	10.2
203.17976	11.7
207.17427	1.8
211.14845	2.5
213.16408	6.0
215.17905	6.5
217.19473	7.1
219.17622	1.4
225.16368	3.2
227.17972	5.5
229.19612	1.5
231.21268	2.1
241.19577	1.9
243.21092	3.0
245.22672	1.8
254.96255	1.4
255.20969	1.6
257.22729	3.1
269.22552	2.6
271.24185	3.3
283.24268	2.9
339.30582	2.1
346.55975	1.6
362.47495	1.8
502.34842	1.4
586.13922	1.5
609.53632	2.4
627.55322	13.7
628.54694	1.7
645.56360	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	647.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20298	0.3
67.05511	0.4
69.85683	0.4
69.85973	1.6
88.76490	0.3
91.05488	0.3
97.51408	0.3
105.06997	0.3
111.87586	0.3
121.10246	0.4
131.08582	0.3
135.71658	0.3
222.94334	0.3
236.62411	0.3
243.08511	0.8
257.43994	0.3
320.71597	0.3
429.26175	1.3
485.28629	1.9
524.61957	0.3
581.85492	0.3
647.34045	100.0
648.34222	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	647.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38744	0.5
66.21003	0.4
67.05502	0.8
69.67158	2.4
69.74593	0.5
73.11140	0.5
73.82150	0.5
79.05511	0.6
81.03442	0.7
81.07049	1.3
83.04961	0.5
83.08627	0.6
91.05483	1.3
95.08600	0.7
101.10860	0.5
105.07010	1.2
109.06529	0.7
112.70334	0.5
117.07092	0.5
133.10144	0.5
138.67570	0.5
184.44662	0.5
214.68829	0.5
219.17648	0.8
227.20285	0.7
243.08406	0.9
249.41058	0.5
429.26416	1.9
463.42133	0.5
485.28918	1.9
647.34039	100.0
648.34686	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	647.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
57.03441	1.2
57.07079	3.6
67.05490	1.9
69.07078	1.3
69.18280	5.8
71.08636	2.4
79.05477	0.6
81.07052	2.3
83.08624	1.2
85.10183	1.4
93.07062	0.8
95.08619	2.6
97.10164	0.8
105.07076	0.7
107.08620	0.7
109.06570	0.5
109.10150	1.6
121.10124	0.9
123.09624	0.5
123.11749	0.7
133.10110	0.6
137.05994	2.2
141.43324	0.5
147.11737	0.8
148.08749	0.5
176.68196	0.5
177.72064	0.5
301.07877	0.5
311.37415	0.6
313.27463	0.9
335.18304	17.1
391.20953	7.6
625.66553	0.6
647.44946	100.0
648.45270	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	648.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44132	1.8
51.02398	2.1
53.03948	15.5
53.70747	2.1
55.01875	4.2
55.05267	2.4
55.05507	11.2
57.03447	5.8
61.02935	9.5
63.40808	1.8
65.03947	4.1
67.05514	29.5
68.99805	11.2
69.03082	3.9
69.03431	47.6
69.07068	7.7
70.06573	3.2
71.04995	8.2
71.50977	2.7
72.08176	2.0
73.02914	8.3
79.05499	22.0
79.48344	1.9
81.02928	3.3
81.03421	64.9
81.07063	59.4
83.04986	4.8
84.08151	2.4
85.02910	65.6
86.09701	2.4
87.00829	20.2
91.03967	3.6
91.05486	32.6
93.07049	47.7
95.04954	5.1
95.07988	3.3
95.08610	66.2
97.02310	1.6
97.02892	45.6
99.04454	20.7
102.18364	1.8
103.03945	3.2
103.05437	2.5
105.01865	11.3
105.04507	2.6
105.07034	81.6
107.04932	9.4
107.07875	3.8
107.08603	75.1
109.02887	100.0
109.06526	3.0
109.10164	50.3
111.04469	10.5
115.05468	2.1
117.01857	2.3
117.05595	2.1
119.08586	52.0
121.10151	25.5
123.04379	3.3
123.11718	9.0
125.02373	5.8
127.03925	97.0
129.01848	11.3
129.05525	3.2
133.10135	33.0
135.11696	19.2
137.06023	7.8
139.03947	3.3
141.01825	24.4
145.04970	23.8
145.10109	4.2
147.02844	9.2
147.11696	64.4
151.03915	4.0
159.02898	11.0
161.13271	17.9
163.03960	2.3
169.04948	2.5
171.02882	3.2
175.14828	8.7
189.05548	2.1
193.04922	3.0
195.02899	1.9
203.17972	63.5
206.02780	2.2
213.03941	15.3
231.05029	22.0
235.05998	4.1
249.05948	3.3
273.06104	5.3
285.06247	2.4
303.07101	5.9
339.07120	5.7
357.08081	17.1
375.09216	16.1
648.35950	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	649.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.03512	0.3
55.05504	0.5
57.03438	3.0
61.02937	0.4
65.03918	0.5
66.04739	0.6
69.03436	2.0
70.06590	0.5
70.49358	0.6
71.01344	0.4
71.04999	11.2
73.02919	0.9
75.04459	1.1
76.06905	0.4
79.05497	1.6
81.03431	0.7
81.07057	0.9
83.04987	1.3
85.02912	20.0
87.04478	0.6
91.05479	3.7
94.04205	3.5
95.04953	0.7
97.02882	1.4
98.97623	0.5
99.04443	0.8
103.05461	1.3
104.06238	0.4
105.07041	5.1
107.04955	1.2
109.06526	2.6
111.04446	1.3
115.05446	4.1
116.06242	0.6
117.05510	0.3
117.07029	0.8
119.04969	1.1
119.08567	1.8
121.06545	0.6
122.03656	6.7
127.03947	0.9
128.06227	1.8
129.05507	3.7
129.06987	2.2
131.04913	1.7
132.05713	2.7
133.06488	4.4
137.05988	100.0
138.06291	0.8
141.07024	0.6
143.04929	0.6
143.06021	0.3
144.05730	0.8
145.06471	1.3
146.03600	0.6
147.04434	1.8
147.06552	0.9
147.08054	2.4
149.05991	1.6
151.07559	0.5
155.04915	0.7
155.06064	0.4
156.05727	0.9
157.06474	0.5
159.08015	2.5
160.05220	1.8
161.04639	0.7
161.05995	13.9
162.06371	0.4
163.06100	0.4
163.07597	0.7
165.06972	0.4
167.07118	0.7
168.05725	0.4
171.08104	0.7
172.05215	1.6
175.07561	28.8
176.07956	0.3
179.07063	1.5
184.05272	1.2
185.06006	0.7
187.07552	8.9
189.07048	0.8
189.09129	0.8
190.07837	1.9
191.08571	6.9
193.10103	0.3
199.07562	10.1
201.06950	0.4
202.07829	3.2
203.08577	5.5
204.09319	0.7
205.06664	0.7
205.08577	0.7
207.08066	0.6
208.08800	0.9
215.08679	0.4
217.08595	0.6
218.07199	2.1
219.08061	9.4
220.08711	2.1
231.08060	6.2
232.08852	1.0
233.09702	0.7
235.07581	1.4
235.11140	0.6
236.08377	1.8
237.09117	0.9
247.07562	4.6
248.08383	3.4
249.09038	0.8
251.10710	13.3
259.07584	3.9
260.08331	1.3
261.09125	1.3
263.10706	2.9
264.07959	1.0
265.08658	0.7
275.07034	0.5
276.07828	1.7
277.08609	2.1
279.10181	10.4
280.10956	0.9
281.08154	0.9
287.05359	0.4
291.10159	10.1
292.10895	3.0
293.08115	0.8
295.13281	1.3
296.10461	1.3
308.10565	0.7
311.12805	27.5
312.13123	0.6
323.12802	13.4
324.13513	0.4
341.13889	1.2
470.60382	0.4
482.56168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66513	0.6
52.76045	0.6
55.01852	1.1
57.03424	3.1
63.51313	0.6
63.53844	0.7
66.04718	0.8
69.03419	1.6
69.97191	1.6
69.97588	1.2
71.04996	11.1
73.02890	0.7
75.04452	1.0
75.22612	0.7
79.05470	1.9
81.07044	0.8
83.04980	1.8
85.02907	17.5
86.89851	0.7
87.04430	0.7
91.05478	3.4
94.04176	2.6
97.02882	1.3
98.21407	1.0
100.55466	0.6
103.05469	1.4
105.07043	4.7
108.72923	0.6
109.06525	1.9
115.05452	3.9
117.05479	0.8
117.06969	1.3
119.04971	1.0
119.08623	1.2
121.06520	0.8
122.03642	7.2
127.03898	0.8
128.06229	1.6
129.05513	3.2
129.07018	2.2
131.04936	1.1
132.05743	1.6
132.17934	0.7
133.06532	3.4
137.05978	100.0
143.04927	0.9
145.06477	1.8
146.03574	1.2
147.04425	0.9
147.06557	1.0
147.08058	2.2
149.06006	1.9
151.07532	0.8
155.04997	0.8
159.08090	2.7
160.05240	1.8
161.05991	12.9
163.07545	0.9
167.07045	1.1
168.05521	0.7
172.05205	1.1
175.07544	28.2
177.93907	0.7
179.07018	1.6
184.83420	0.6
187.07526	8.1
190.07822	1.7
191.08571	7.0
195.52368	0.7
199.07539	10.4
202.07825	3.1
203.08589	4.1
203.10265	0.6
218.07317	2.0
219.08022	9.5
220.08868	2.1
231.07996	6.4
232.08902	1.3
236.08362	1.4
247.07529	3.9
248.08305	2.1
249.09024	0.8
251.10663	13.0
259.07507	3.2
260.08307	1.3
263.10754	3.1
264.07959	1.3
276.07932	1.9
277.08597	1.8
279.10159	8.9
281.08029	1.1
291.10153	7.2
292.10956	2.1
308.10544	1.0
311.12769	26.1
323.12723	14.3
341.14273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.6
53.35611	0.6
57.03422	2.6
66.04723	0.6
69.03416	1.7
69.43737	4.2
69.44148	1.7
71.04993	10.8
73.02886	1.0
75.04466	1.0
79.05490	1.6
83.04976	1.7
85.02905	18.1
90.75539	0.6
91.05466	3.5
94.04186	1.7
95.05009	1.0
97.02902	1.7
103.05428	1.7
105.07040	6.3
107.04954	1.3
109.06481	2.3
111.04467	1.2
115.05449	3.7
117.07011	1.5
119.04975	1.1
119.08595	1.4
122.03627	6.5
128.06262	2.0
129.05492	4.2
129.07014	2.1
131.04904	1.0
132.05690	2.0
133.06500	4.2
137.05980	100.0
141.06961	0.7
145.06488	1.8
147.04509	0.8
147.08070	2.6
149.05969	1.2
151.07523	1.2
155.04953	0.9
156.05585	0.7
159.08020	3.4
160.05212	1.5
161.05983	13.9
163.07536	0.8
164.56744	0.7
171.08130	0.9
175.07535	28.2
179.07010	1.8
184.05182	1.2
187.07556	8.6
190.07738	2.7
191.08525	5.8
199.07552	10.4
202.07784	3.1
203.08588	4.2
205.06757	0.7
208.08755	0.8
218.07248	1.5
219.08047	10.7
220.08823	2.9
231.08072	5.4
232.08817	1.7
233.09422	1.1
236.08311	2.1
237.09082	0.8
247.07597	4.5
248.08333	3.2
249.09027	0.9
251.10674	13.8
259.07629	3.5
261.09213	1.2
263.10751	3.4
264.07922	0.9
265.08575	0.9
276.07758	1.1
277.08652	2.7
279.10175	12.5
291.10117	8.2
292.10898	2.8
293.08246	0.8
295.13535	1.1
296.10367	1.3
311.12787	28.9
323.12762	13.8
330.41815	0.7
341.13651	1.2
433.57516	0.8
679.42041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01867	0.4
55.05497	0.5
57.03194	0.4
57.03444	3.0
59.97473	0.4
65.03925	0.4
66.04717	0.8
69.03425	1.6
69.25484	0.3
70.06584	1.2
71.04607	0.6
71.04994	12.5
71.50980	0.5
72.08137	0.4
73.02907	0.9
75.04487	1.2
77.03920	0.4
79.05481	1.6
81.03407	0.6
81.07052	0.9
83.04974	1.9
83.83381	0.5
85.02908	20.6
86.09702	0.7
87.04458	0.6
91.05482	4.5
92.25372	0.4
94.04211	2.3
95.04985	0.6
97.02898	1.3
99.95119	0.4
103.05457	1.9
105.07047	5.9
107.04968	1.0
109.02876	0.7
109.06509	1.6
111.04439	1.6
115.05439	3.7
116.06207	0.5
117.07040	1.1
118.04137	0.6
119.04941	1.3
119.08569	1.7
121.06493	0.8
122.03635	5.7
127.03906	1.0
128.06221	1.7
129.05492	5.2
129.07001	1.9
131.04932	1.8
132.05789	2.5
133.06488	4.4
137.05978	100.0
138.06328	0.9
143.04935	0.5
144.05666	0.7
145.06493	1.4
146.03622	1.1
147.04376	2.0
147.06468	0.9
147.08064	2.3
149.05997	1.5
151.07578	1.1
155.04948	1.1
155.06082	0.5
156.05690	0.9
159.08072	2.5
160.05223	1.4
161.05994	14.3
163.07553	1.3
165.07024	1.0
167.07089	0.7
172.05186	1.4
175.07552	27.1
179.07062	1.9
179.08438	0.5
184.05228	1.1
187.07547	9.0
189.09163	0.5
190.07750	1.8
191.08569	6.4
192.09209	0.4
199.07550	8.3
202.07802	2.4
203.08540	5.0
205.06535	0.7
207.08179	0.5
208.08871	0.5
217.08635	0.7
218.07291	1.8
219.08070	10.7
220.08748	2.7
230.98915	0.5
231.08025	6.1
232.08772	1.3
235.07513	1.0
236.08366	1.8
247.07549	4.4
248.08334	3.9
249.09213	0.7
251.10669	12.4
259.07587	3.7
260.08398	1.5
261.09088	1.2
263.10663	3.6
264.07895	1.2
265.08606	0.9
275.10526	0.6
276.07831	1.8
277.08545	2.3
279.10172	10.1
280.10968	0.9
281.08154	0.9
291.10165	10.2
292.10968	2.9
295.13364	1.3
296.10455	1.2
308.10385	0.9
311.12778	27.1
323.12775	13.1
328.08929	0.4
335.12823	0.5
341.13846	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80068	2.4
53.03943	8.8
55.01873	4.5
55.05509	7.6
57.03439	11.8
61.02924	4.9
65.03957	2.6
67.05508	16.6
68.00839	2.1
69.03434	22.2
69.07061	7.2
69.79034	2.1
70.06610	5.7
71.01356	2.4
71.04998	40.5
71.05406	3.9
71.05540	3.9
73.02934	2.8
79.05502	16.2
81.03417	22.3
81.07065	36.4
83.04987	18.1
83.08636	2.3
85.02910	100.0
87.00833	19.3
90.48711	2.2
91.05491	17.4
93.07036	25.3
95.04984	5.2
95.08613	38.7
97.02895	20.4
99.04461	10.3
103.03945	5.3
103.21745	2.4
105.01871	24.6
105.07037	42.5
107.04950	3.8
107.08601	41.2
109.02884	24.2
109.10165	34.1
111.04451	19.7
111.08067	2.8
119.08578	29.9
121.10172	14.4
123.04423	2.8
123.11677	8.4
125.02457	3.2
127.03915	44.9
129.01820	2.5
129.05489	17.4
131.08597	2.8
133.10150	20.5
135.11702	9.6
137.05930	2.3
139.03961	2.6
140.52481	2.7
145.04968	8.3
145.10107	3.9
147.02888	4.5
147.06532	4.9
147.11700	39.2
153.05440	2.7
159.02901	4.9
161.13260	12.8
175.14832	6.2
181.04984	2.9
189.03986	6.4
203.17979	48.4
213.03954	6.1
213.07802	2.4
219.06461	3.1
231.04988	9.9
237.07567	8.9
255.08717	4.6
315.11035	2.6
341.08707	5.6
359.09784	3.1
511.73004	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.3
55.01882	2.8
55.05513	39.2
57.03444	12.8
57.07073	4.4
58.60176	2.6
60.93778	2.8
65.03936	4.4
65.66882	2.4
67.05512	100.0
69.03435	32.3
69.07062	19.2
71.01315	2.9
71.04982	11.2
71.51114	3.4
72.78409	2.2
79.05502	36.5
81.03421	72.8
81.06597	3.6
81.07065	65.6
83.04984	42.4
83.08624	19.5
85.02905	6.4
85.06551	4.8
91.05488	30.2
93.07060	44.1
95.04958	8.1
95.08060	4.9
95.08614	54.7
97.02899	23.9
97.06507	5.8
97.10179	20.1
99.04442	8.1
99.08076	4.4
105.07047	26.1
107.04962	4.0
107.08607	33.8
109.02887	13.0
109.06541	5.4
109.10167	64.0
111.04444	12.2
111.08088	4.5
115.05418	3.0
117.07024	17.2
119.08585	26.4
121.06494	3.9
121.10159	18.3
123.08060	3.4
123.11734	8.9
125.09647	20.4
127.03914	10.1
128.06317	4.0
129.05525	19.4
129.07027	5.7
131.08571	21.0
133.10133	12.8
135.08063	6.6
135.11714	14.1
137.09624	7.1
137.13200	2.6
143.08549	10.8
145.06523	3.3
145.10124	18.5
147.08008	3.9
147.11685	10.1
149.09610	3.7
149.13252	8.0
153.09193	3.3
154.07747	3.1
155.08553	4.3
155.10664	3.6
157.10097	11.5
159.11736	14.1
161.13307	5.4
163.11230	5.2
169.10144	5.2
171.11652	3.9
173.11742	17.3
173.13277	8.8
181.10101	2.8
183.11766	4.6
185.13254	3.9
187.14876	5.8
189.11203	19.1
195.11745	3.5
197.13274	5.8
199.14767	4.1
223.14825	3.9
227.12717	19.4
229.14381	19.6
245.13820	6.1
259.20602	4.4
261.22144	10.3
263.23697	6.0
299.14935	5.8
301.21698	3.7
309.53534	3.0
309.69653	2.9
322.58896	3.7
327.22989	3.5
335.25937	14.3
337.27502	17.0
369.24216	9.3
371.16873	11.1
373.18484	5.9
387.25400	8.0
405.26245	4.9
443.28152	4.1
479.30185	4.0
489.35532	6.4
507.36642	8.1
597.37665	5.7
615.38910	5.3
633.40002	22.5
651.40601	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	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.1
55.05317	2.4
55.05518	27.2
57.03424	12.7
57.07063	3.9
67.05507	100.0
69.03425	26.2
69.07085	18.0
71.04970	8.4
77.60271	2.9
77.95293	2.6
79.05495	33.0
79.48217	2.4
81.03423	54.3
81.07058	59.7
83.04983	21.1
83.08624	14.8
85.02888	5.5
85.06544	5.3
91.05482	23.8
93.07048	37.5
95.04963	10.3
95.08064	4.1
95.08607	42.7
97.02891	18.9
97.06503	4.8
97.10168	14.5
98.21520	9.1
99.04442	6.2
103.94027	2.7
105.07046	24.3
107.08598	24.0
108.59138	2.8
109.02870	6.9
109.06534	2.9
109.10169	53.6
111.04453	12.0
111.08107	2.9
115.67560	2.7
117.07018	10.6
119.08598	22.4
121.10155	15.1
123.11712	6.0
125.09662	15.3
127.03902	9.6
129.05484	9.7
129.07008	4.6
131.08565	17.2
133.06499	3.5
133.10136	9.3
135.08098	5.3
135.11694	8.4
137.09631	6.5
143.08582	6.5
145.06499	3.3
145.10121	11.4
147.07994	3.3
147.11668	9.8
149.13264	6.7
155.10690	4.8
157.10147	9.1
159.11687	11.1
161.13254	5.6
169.10149	4.0
171.10210	3.1
171.11731	5.7
173.11722	19.1
173.13268	8.5
175.11168	3.4
181.10103	3.5
183.11600	3.3
185.13222	4.1
187.14922	4.3
189.11197	13.5
189.12697	3.9
197.13313	2.9
199.11154	3.2
199.14786	4.3
211.14784	4.4
223.99663	3.4
227.12704	17.4
229.12334	4.6
229.14354	33.4
245.13927	3.6
261.21960	6.0
275.17542	2.9
289.21490	3.6
301.21613	4.3
303.23315	5.5
335.25735	12.4
337.27399	13.1
345.24268	4.2
351.23306	5.2
353.24780	3.1
369.24219	9.7
371.17029	6.9
387.25311	7.3
461.29285	3.4
479.29874	5.3
489.35620	4.1
597.36871	3.4
615.38708	8.0
633.39880	16.4
651.40973	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	651.411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34094	2.5
53.03940	9.4
55.01873	5.3
55.05320	2.5
55.05518	28.7
57.03429	13.0
59.04988	4.9
65.03947	6.3
67.05509	100.0
69.03088	3.0
69.03435	34.5
69.06723	2.9
69.07069	17.7
69.31271	23.7
71.04988	5.8
79.05135	3.3
79.05502	32.4
81.03422	32.6
81.06601	3.0
81.07063	48.3
83.05000	18.4
83.08627	15.0
85.02914	6.3
91.05487	35.2
93.07054	37.3
95.04967	9.0
95.08606	34.0
97.02884	12.1
97.06523	4.8
97.10175	9.2
98.20763	6.1
98.24941	2.5
105.07050	32.8
107.04989	9.1
107.08596	20.8
109.02895	5.6
109.06546	4.8
109.10164	55.6
111.04444	12.1
111.08122	5.4
115.05463	3.4
117.07025	13.7
119.08578	24.3
121.06550	4.1
121.10156	15.4
123.08060	3.2
123.11715	4.5
125.09646	8.5
127.03920	4.8
129.05457	3.7
129.06996	7.8
131.08597	17.4
133.06480	10.7
133.10139	10.5
135.08020	4.8
135.11690	11.4
137.09613	5.2
139.11223	4.2
141.06963	3.8
142.07712	3.3
143.08575	12.9
145.10118	16.6
147.11684	10.8
149.09613	5.1
149.13274	5.3
155.08508	5.0
157.10123	6.4
159.08096	3.6
159.11696	10.9
161.05971	10.2
161.13301	4.6
162.06392	4.9
169.10199	3.9
171.07973	3.9
171.11684	4.9
173.11710	15.1
173.13155	6.9
175.11115	3.4
177.12761	4.4
183.11678	3.2
185.13216	3.8
187.14751	3.6
189.11206	4.8
193.08614	7.4
197.13257	4.4
199.14816	5.1
211.14822	3.6
215.93436	2.9
227.12793	6.8
229.14314	33.2
259.20490	4.0
301.21628	4.1
335.25827	4.4
337.27530	3.7
345.24289	4.9
351.23300	4.2
369.24179	10.7
371.16904	4.6
387.24860	4.4
461.28876	6.9
489.35944	3.2
516.83789	3.4
597.37421	6.1
615.38666	5.6
633.39777	15.8
651.40387	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.6
55.01862	4.7
55.05273	2.2
55.05516	28.5
57.03447	11.3
57.07083	4.2
59.05014	2.2
65.03931	4.8
67.05511	100.0
67.05879	5.1
69.03442	27.4
69.07070	15.6
69.16679	23.5
71.04988	7.3
79.05499	33.2
81.03418	52.2
81.07063	60.1
83.04987	23.4
83.08628	15.5
85.02891	6.2
87.04465	2.1
91.05489	31.7
93.07052	32.8
95.04967	7.5
95.08618	40.3
97.02908	19.0
97.06538	2.7
97.10180	14.3
99.04456	7.4
105.07042	23.9
107.04991	4.4
107.08604	25.2
109.02894	10.2
109.06511	6.0
109.10166	55.2
111.04427	9.2
111.08058	2.5
117.07000	12.4
119.08601	19.7
121.06525	3.2
121.10177	17.4
123.08102	2.3
123.11710	7.1
123.74361	2.2
125.09637	9.6
127.03932	9.5
129.05498	11.8
129.06998	6.0
131.08604	13.1
133.06500	4.8
133.10153	14.7
135.08063	6.6
135.11713	9.7
137.09665	3.6
143.08559	8.5
145.06514	2.5
145.10144	14.0
147.08101	3.3
147.11696	7.2
149.09627	3.8
149.13245	4.7
155.08563	2.7
155.10651	5.3
157.10165	4.7
159.07991	3.4
159.11708	8.6
161.09607	3.1
161.13284	4.9
163.11203	2.8
169.10141	5.0
171.08266	2.6
171.10246	2.0
171.11719	6.7
173.09659	3.2
173.11742	18.6
173.13312	7.3
174.41766	2.3
175.14757	3.4
181.10132	3.3
183.11707	4.2
185.13258	4.4
187.11118	2.4
187.14737	2.9
189.11180	10.3
189.12704	2.5
209.13165	2.1
227.12775	12.0
229.14378	27.1
243.21317	2.8
245.13701	2.5
261.22217	7.1
263.23709	5.4
271.20520	2.6
277.21667	3.1
299.14798	4.9
301.21570	5.8
329.25177	3.0
335.25946	13.5
337.27423	12.0
341.24780	2.7
345.24075	3.2
351.23285	5.0
369.24289	7.6
371.17078	6.8
373.18439	7.0
387.25189	2.5
388.22137	2.2
405.26239	5.5
443.28259	4.0
461.29153	6.0
479.29587	4.6
489.35913	3.6
507.36676	5.8
519.35974	2.6
597.37634	3.3
615.38721	2.9
633.40106	17.8
651.40778	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	652.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.5
55.05518	0.3
57.03434	0.2
60.04530	0.4
61.02937	0.4
65.03955	0.2
66.77607	0.2
68.05043	0.3
69.03432	3.4
70.06599	0.8
71.05016	0.5
71.50984	0.3
72.08140	0.2
80.05025	0.6
80.31027	0.2
81.03425	1.7
82.06586	0.7
83.04992	0.9
84.04507	1.8
85.02908	2.7
86.09727	0.3
96.04494	20.4
97.02893	3.0
98.06059	4.1
99.04454	0.8
101.02361	0.2
103.05473	0.3
105.07064	0.2
107.04992	0.3
108.04491	0.3
109.02207	0.3
109.02879	1.6
110.06087	0.5
111.04462	0.7
114.05550	0.3
119.04977	0.2
119.08605	0.2
121.02844	0.3
126.05524	10.9
127.03922	1.5
129.05489	0.7
131.04964	0.6
137.06013	0.5
137.21173	0.2
138.05507	100.0
139.05827	1.1
142.74275	0.2
144.06563	4.5
145.04903	0.5
147.04410	0.8
147.06461	0.2
153.01848	0.6
167.07011	0.2
168.06569	32.7
169.06879	0.3
175.14757	0.2
186.07632	6.3
204.08678	9.0
205.07066	0.3
234.25264	0.2
287.05515	6.3
366.09424	0.4
366.13968	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	652.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01866	1.0
57.03419	0.8
61.02929	1.5
67.05498	1.6
69.03434	19.0
69.07063	1.5
69.96162	2.4
69.96574	1.5
70.06596	1.1
71.04990	3.6
72.08187	1.0
79.05489	1.8
81.03426	17.0
81.07053	2.4
83.04986	1.2
85.02911	39.1
85.75139	0.8
86.09718	1.4
91.05488	100.0
92.05843	0.8
93.07030	2.3
95.05003	0.8
95.08602	2.4
97.02899	13.9
98.20756	0.9
99.04466	11.0
103.05463	0.7
105.07028	3.6
107.04974	1.6
107.08582	2.4
109.02887	36.0
109.10142	1.6
115.03967	1.8
115.05452	5.6
117.07028	10.4
119.04981	1.8
119.08577	1.4
121.10155	1.5
125.87082	0.8
127.03928	80.4
131.08543	0.9
133.06488	2.5
133.10147	0.9
137.06049	0.7
139.03889	1.3
143.04935	4.0
145.04962	28.3
145.06480	15.4
145.10106	1.4
147.11673	1.4
155.06111	1.7
157.10138	1.5
159.11781	1.0
161.05997	35.9
161.13330	1.1
169.04968	12.6
171.04419	19.7
173.13312	0.9
179.07053	28.0
187.06021	25.2
189.05472	10.3
205.07095	9.1
207.06482	6.2
221.08133	3.0
225.07562	1.5
231.06567	2.4
249.07549	6.2
259.09769	1.0
269.08014	1.4
287.09143	5.1
302.11499	7.2
305.10184	6.5
315.08597	2.4
333.09671	6.8
347.11407	4.3
351.10580	2.6
353.17157	0.9
375.10733	8.0
393.11752	9.2
411.12842	3.4
593.58295	0.9
651.48761	0.9
652.46100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.05496	1.3
65.03958	0.9
67.05498	1.6
68.99796	1.0
69.03432	17.8
70.06575	1.4
70.68605	1.9
70.68961	1.0
71.01366	0.9
71.04998	5.4
79.05486	2.1
81.02989	1.6
81.03419	18.6
81.07042	3.6
83.01353	1.1
85.02909	44.6
86.03232	1.1
87.00818	1.5
91.05486	100.0
93.07039	2.2
95.08584	2.5
97.02894	16.3
99.04453	13.5
103.05513	1.2
105.01849	1.2
105.07034	3.1
107.04977	1.1
107.08561	3.2
109.02132	1.7
109.02885	34.1
109.10131	2.3
110.03150	0.9
110.19857	0.8
111.04393	1.0
115.03954	0.8
115.05441	4.5
117.07018	10.7
117.22857	0.9
119.04972	2.0
119.08605	1.6
120.08120	0.9
121.10139	1.5
127.03922	83.2
133.06465	3.3
133.10107	2.1
134.61665	0.8
135.11710	1.0
136.20363	1.0
139.03937	1.5
143.04947	4.7
145.04947	29.7
145.06470	13.8
145.10184	0.9
147.11687	2.5
148.11992	1.4
155.06023	1.9
157.10104	1.0
161.05980	37.3
169.04976	16.0
171.03069	1.7
171.04422	21.7
179.05473	1.9
179.07040	32.7
187.06032	33.6
189.05472	11.1
203.17892	1.6
205.07086	13.2
207.06523	8.3
221.08043	4.8
225.07593	2.0
230.19730	0.9
231.06525	3.6
249.07629	7.4
267.08432	1.0
269.08026	1.6
270.04663	0.9
272.10431	1.8
287.09155	3.5
305.10187	8.1
315.08496	1.5
333.09708	8.5
347.11307	6.9
351.10962	2.1
365.12427	1.2
375.10776	12.5
393.11850	12.1
411.12933	5.1
434.40552	1.0
512.26099	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1716
Annotation	Luteolin 7-(6'''-acetylsophoroside)
Peak:m/z	Relative Intensity
53.03939	3.9
54.25952	1.2
55.64013	1.4
57.03432	3.2
57.33767	1.5
61.02921	6.2
69.03433	41.3
70.06589	3.0
70.68217	4.2
71.04987	3.3
72.08188	1.4
73.45115	1.2
81.03426	17.3
83.04989	1.5
85.02908	85.1
94.35068	1.2
97.02895	42.9
97.03531	2.2
99.04483	13.0
107.04940	1.5
109.02885	100.0
111.04529	1.5
112.80434	1.6
115.03924	1.6
121.02885	3.2
124.75523	1.3
127.02982	3.3
127.03922	65.7
139.03902	7.0
145.04964	24.8
153.01826	5.1
160.49167	1.4
165.01926	1.4
169.04982	21.7
182.83044	1.3
185.06035	1.4
187.06017	22.3
205.07085	72.5
241.05104	1.4
287.05524	89.4
311.05502	1.6
329.06699	2.8
333.52588	1.5
371.07700	2.5
381.09247	1.6
388.06351	1.4
606.89893	1.4
626.33459	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1719
Annotation	Kaempferol 3-(6''-acetylglucosyl)-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.03951	1.2
55.01863	0.5
57.03437	1.2
59.47790	0.2
61.02925	2.1
62.15802	0.2
68.99796	0.6
69.03432	6.9
71.02566	0.7
71.05003	1.4
73.02911	0.8
79.05486	0.3
81.03419	4.7
83.01297	0.3
84.77463	0.2
85.02908	13.0
85.85548	0.2
87.04472	0.5
97.02897	15.2
98.95979	0.2
99.04463	3.0
107.04918	0.4
109.02885	4.3
111.00806	0.9
115.03896	0.4
119.04935	0.2
121.02884	2.8
127.03923	6.3
130.18687	0.2
133.02853	0.3
137.02342	1.0
139.03809	0.2
145.04968	11.6
147.04437	1.0
153.01836	4.2
157.06546	0.5
165.01859	2.1
169.05055	0.5
171.04388	0.5
175.07491	0.3
183.02904	0.6
185.06102	0.5
187.06039	0.9
205.07118	2.6
213.05461	1.7
231.06541	0.8
241.04976	0.7
245.20273	0.3
258.05225	0.9
259.06055	0.4
287.05511	100.0
288.05862	1.8
299.05453	0.8
365.06406	0.5
560.99554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.4
53.03951	0.5
56.62972	0.2
65.03935	1.9
66.05289	0.2
69.03432	2.8
70.06594	0.7
70.55480	0.7
71.04983	0.4
77.03934	0.7
79.05489	0.7
81.03419	3.3
81.07042	0.7
82.02993	0.2
84.04528	0.3
84.08177	0.5
85.02915	1.6
86.09729	0.4
89.03926	0.7
91.05486	23.3
93.07048	0.4
95.08607	0.4
97.02904	0.6
99.04449	0.3
103.05469	0.6
105.03407	0.6
105.07057	0.5
107.04961	0.6
109.02886	1.9
109.10155	0.4
115.05498	0.2
116.41645	0.2
117.03336	0.3
118.04150	0.5
119.04948	31.9
121.02888	1.2
121.06499	0.4
122.53898	0.2
127.03915	1.2
129.03398	0.7
131.04948	0.6
132.02104	1.5
133.02870	0.7
135.04405	0.7
136.05222	0.5
137.05986	0.8
139.74919	0.2
145.02885	0.6
146.03639	0.4
147.04419	29.2
148.04776	0.3
149.02394	1.2
151.03954	0.4
153.01845	1.4
157.02812	0.4
157.03995	4.1
157.06445	0.2
160.01575	0.3
161.06053	0.5
162.31912	0.2
164.04732	1.3
165.01799	0.4
167.07045	0.4
175.03917	49.9
176.04291	0.8
179.07050	2.6
192.04205	0.8
207.06538	100.0
208.06973	1.1
213.05492	0.5
225.07629	0.6
241.05028	0.3
258.05255	0.3
287.05515	28.1
288.05585	0.4
312.59415	0.3
329.06583	0.7
343.71759	0.3
351.10760	7.3
369.11865	3.4
654.47266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02037	1.2
53.03929	4.8
55.05508	22.5
57.07080	20.0
64.22217	1.2
67.05478	4.9
69.07061	2.4
71.04967	5.0
71.52111	1.4
79.05470	4.2
80.62314	1.3
81.03421	1.5
81.07037	5.6
82.00909	1.3
83.04987	100.0
91.05482	10.6
93.07032	3.7
95.04955	3.8
95.08597	2.6
98.98451	6.1
105.07021	4.4
107.08624	2.8
115.05473	1.5
117.07045	2.8
119.08563	4.6
123.07985	1.3
128.06192	5.8
129.07019	13.2
131.08571	2.1
133.10110	1.9
141.06943	3.9
145.06459	1.9
147.08046	8.3
147.11694	14.7
151.01477	3.4
155.08694	1.4
157.07607	4.2
159.08035	1.8
161.13283	1.5
169.07590	2.3
175.01576	51.1
175.03108	2.7
181.02612	70.6
187.01497	1.9
227.04709	25.5
231.07835	3.2
236.06267	1.5
236.43764	1.3
239.04657	3.6
250.55487	1.4
257.05701	8.2
259.16919	3.2
283.10849	7.1
313.12015	44.1
331.12933	1.7
369.18256	21.4
487.12561	3.5
529.38458	1.4
543.19110	60.2
569.37415	1.4
599.25336	97.6
600.25665	2.9
637.40277	1.7
655.31262	43.4
655.39948	3.0
656.31677	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	655.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10450	1.1
55.05513	3.1
57.03433	3.9
57.07082	38.2
58.06613	1.4
58.55585	1.2
60.04526	1.3
61.02923	7.9
67.05509	9.2
69.07075	7.9
70.68824	3.0
71.08639	25.8
72.04511	4.1
73.02922	4.2
75.04488	1.5
81.07063	15.6
83.08625	11.7
84.08144	12.7
85.02902	10.6
85.10192	16.6
86.09727	5.9
91.03967	8.4
91.05476	1.4
95.08611	24.6
97.02892	3.9
97.10177	4.0
99.11692	1.4
100.11263	21.8
109.10162	11.7
111.11726	1.4
120.04482	17.6
123.11690	4.7
123.32205	1.2
125.13269	1.3
127.03915	2.7
128.10748	9.6
137.13297	2.0
142.35672	1.2
145.04988	4.1
156.10199	8.1
159.81110	1.1
163.06030	4.6
165.16391	1.2
171.14903	1.5
199.14467	4.0
203.11853	5.2
231.11243	9.8
239.17549	1.6
239.23715	28.2
257.24780	5.9
274.37463	1.2
312.22754	1.2
313.27386	100.0
314.27420	1.3
331.28503	12.9
337.53574	1.2
407.75977	1.2
447.31461	1.1
455.62970	1.2
475.32437	2.2
544.34943	7.8
655.41913	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	658.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
57.07080	6.4
58.06602	2.3
60.04522	0.3
65.03938	1.1
68.05030	0.3
68.35041	0.2
69.07066	0.3
70.06598	19.0
70.13327	0.9
70.33836	0.2
71.08639	2.5
72.08139	0.8
73.42036	0.3
74.06055	0.7
81.07046	0.5
84.08133	0.6
85.10179	0.7
86.15724	0.2
88.07636	21.7
91.05434	0.4
97.02895	0.3
98.21429	0.3
102.09186	17.0
103.05508	0.2
105.03375	0.4
121.02879	0.6
127.03910	0.3
131.04927	0.7
132.10201	0.5
136.01474	0.2
139.03912	0.3
146.11755	0.8
147.04388	0.8
149.02353	43.5
157.68080	0.2
175.03970	1.2
177.05492	0.6
188.81488	0.2
191.07051	0.5
193.04974	52.8
194.05357	0.6
212.23766	1.1
219.06458	1.2
225.05508	0.9
237.07585	13.5
250.26031	0.2
256.26370	47.5
257.26746	0.8
269.04517	1.6
297.03928	2.6
300.28952	2.5
313.07153	2.3
320.08023	0.3
341.06583	11.6
343.08282	0.5
359.07581	7.5
359.11679	0.4
384.80460	0.2
385.09189	23.6
386.09644	0.6
403.10593	0.4
429.11850	28.3
430.12140	0.9
534.32471	0.3
596.32092	0.7
640.34564	1.2
658.35889	100.0
659.36255	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	658.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.05506	5.8
57.03449	6.8
57.07060	1.3
61.02920	1.2
63.95748	1.1
65.03938	2.0
67.05510	20.3
69.03435	1.4
69.07064	4.4
71.04980	1.3
71.51988	1.9
79.05502	22.8
81.07060	100.0
83.04982	1.5
85.02927	4.5
89.06026	1.4
91.05490	10.3
93.07056	14.1
95.04995	1.3
95.08614	17.0
97.02904	2.2
97.06528	1.3
99.08104	4.5
101.64710	1.2
105.07044	6.0
107.08587	9.5
109.06569	2.0
109.10190	5.6
117.07012	1.9
119.08595	4.1
121.10166	6.6
123.11770	1.7
127.07555	8.9
129.06995	1.2
131.08582	5.1
133.10147	4.5
135.11694	6.1
145.08595	3.8
145.10129	2.9
147.11717	2.7
149.13245	4.0
159.11711	3.2
161.13327	1.9
163.14775	2.9
173.13350	2.4
175.14763	1.5
187.14771	1.3
199.09706	3.4
201.11243	40.9
219.17569	1.1
243.21175	4.1
261.22168	11.2
317.24493	1.9
335.25815	43.1
336.26373	1.5
404.69016	1.3
461.32629	20.6
542.35858	1.5
658.41272	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	658.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.1
53.03952	2.3
53.15347	1.1
55.05518	7.1
56.48815	1.0
56.58362	1.0
57.03446	7.4
57.07079	1.5
58.30964	0.9
61.02924	3.8
65.03954	1.6
67.05177	1.9
67.05512	17.7
69.06744	1.3
69.07071	6.3
71.08634	1.6
71.52299	1.0
72.74870	1.1
79.05501	22.4
81.07065	100.0
83.05022	1.6
83.08631	2.4
85.02903	2.6
85.06512	1.3
88.98792	0.9
90.81806	1.2
91.03963	2.2
91.05491	9.1
91.85154	0.9
93.07050	16.7
95.04955	1.1
95.08614	16.0
97.02934	2.4
97.06541	1.6
97.10165	1.4
99.08092	4.1
103.03970	1.4
105.07055	5.6
107.08613	10.2
109.06491	1.3
109.10149	7.2
117.07015	2.1
119.08602	5.1
121.10154	7.9
123.11715	2.6
127.07567	8.8
131.08583	4.0
133.08679	1.1
133.10136	4.9
135.11699	6.2
137.13290	1.3
145.08638	3.8
145.10112	3.3
147.11699	3.0
149.13281	4.7
159.11705	2.5
161.13318	1.9
163.14822	1.7
173.13319	2.9
177.16537	1.0
186.50122	1.3
201.11241	43.1
225.21172	1.0
231.96242	1.1
243.21199	3.3
261.22195	12.5
317.24670	1.6
320.51407	1.0
335.25821	46.0
336.26096	1.3
391.58801	1.0
461.32626	27.5
517.38629	1.4
658.40942	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.2
55.05513	7.7
57.02264	0.9
57.03199	1.0
57.03444	12.0
57.07080	54.7
59.05019	0.8
61.02909	2.4
61.82172	0.8
67.05511	29.0
69.03437	1.0
69.07079	6.1
71.04986	2.1
71.08622	1.3
75.63574	0.8
79.05068	1.4
79.05499	17.0
81.03415	1.4
81.07066	27.8
83.04990	2.4
83.08627	4.4
85.02892	2.6
85.06544	1.4
86.17409	0.8
87.04458	1.0
89.06039	10.8
91.05480	8.7
93.07053	21.5
95.04993	1.0
95.08617	21.8
97.02899	0.9
97.06529	1.3
97.10167	2.3
103.07566	2.2
105.07019	7.2
107.08605	13.4
109.10163	16.3
117.07043	2.0
119.08594	7.3
121.10162	12.2
121.42126	0.8
123.11704	3.9
127.10308	1.4
127.11203	21.6
131.08575	5.9
133.08598	3.7
133.10123	5.2
135.11702	7.7
137.13283	2.1
145.10118	5.4
145.12280	5.8
147.11752	3.9
149.13246	4.6
159.11732	5.5
161.13239	2.8
163.14815	2.4
173.13284	3.2
175.14854	1.5
177.16435	1.4
186.17963	1.0
187.14861	1.5
189.16476	1.0
201.14870	100.0
218.87172	0.8
233.22630	1.0
240.85735	0.9
243.21185	6.8
261.22159	21.5
299.23779	0.8
317.24695	3.7
335.25827	56.2
336.25989	1.5
364.35031	0.9
387.32916	0.9
461.30045	1.5
461.36292	27.1
479.37067	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01865	1.1
57.03431	0.7
61.02930	0.8
65.30793	0.2
68.99798	1.6
69.03082	0.4
69.03432	4.7
69.03811	0.2
69.29828	1.9
70.06583	1.0
71.04994	0.6
71.39884	0.2
71.96146	0.2
72.08160	0.2
73.02922	0.7
74.16061	0.2
81.03423	7.1
83.04974	0.3
83.62622	0.2
84.08140	0.2
85.02382	0.3
85.02906	6.2
86.09693	0.7
87.00847	1.9
91.03954	0.4
91.05495	0.3
95.04943	0.3
97.02898	4.6
98.21548	0.4
99.04476	1.6
103.03941	0.4
105.01880	0.9
105.07054	0.2
107.04935	0.2
109.02885	11.4
111.04442	0.6
115.05455	0.4
117.01820	0.3
119.04932	0.2
120.08113	0.5
123.04438	0.2
125.02370	0.5
127.03922	100.0
128.04259	0.5
129.01814	1.0
129.10210	0.2
133.02927	0.3
135.04393	0.2
141.01828	2.7
141.05403	0.4
143.04919	0.2
145.04961	2.1
147.02910	0.8
147.04382	0.7
151.03906	0.3
153.05438	0.5
159.02899	1.1
161.06029	0.4
165.05537	0.4
171.02957	0.5
175.03967	0.3
177.05521	0.9
189.03967	0.5
189.05501	0.4
191.06982	0.2
201.03992	0.3
203.07065	0.6
207.06491	1.0
213.03976	0.9
227.06975	0.2
231.04637	1.3
231.06754	0.7
235.06081	0.3
249.07629	0.7
285.06207	0.2
303.07169	0.4
333.08295	0.6
339.06915	0.4
357.08109	1.0
375.09253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03749	0.9
53.03949	8.6
55.01862	1.7
57.03420	1.1
65.03938	1.7
65.65076	1.0
69.03434	6.1
70.06595	1.2
70.76264	2.9
71.01360	1.0
71.04996	2.8
74.17704	0.9
75.08853	1.2
79.05489	3.2
81.03419	100.0
81.07094	1.3
85.02904	14.5
91.05483	92.0
95.04996	1.9
95.08624	1.3
97.02886	9.8
99.04460	10.7
103.05450	1.7
105.07018	3.7
107.04965	1.7
109.02881	35.9
115.05462	21.4
117.07014	38.4
117.20409	1.1
119.04944	18.4
121.21951	0.9
121.41853	1.0
125.02361	2.8
127.02979	2.3
127.03919	44.4
129.06995	3.8
131.04907	3.1
131.25067	1.2
133.06493	8.9
134.38039	1.2
137.05879	1.5
141.05472	2.9
141.06979	2.5
143.04944	14.4
143.08572	2.0
145.04994	2.8
145.06488	16.6
147.04430	1.8
153.01814	1.3
153.06998	3.8
155.04904	1.2
155.06076	1.5
155.08557	2.6
157.06477	2.0
159.04343	1.1
161.05980	51.5
165.06995	1.5
167.08543	2.0
169.04977	6.1
169.06436	2.0
171.04410	25.6
171.08138	1.8
173.05949	1.0
179.07098	8.6
179.08604	1.5
181.05023	2.4
181.06502	4.7
182.07387	1.3
183.08089	4.6
185.05931	2.4
187.05995	9.7
189.05470	23.5
195.08025	4.2
199.07544	3.7
201.05394	1.1
207.06557	2.1
209.05980	13.3
211.07561	2.0
217.05034	2.4
217.08676	1.6
223.07513	7.4
225.09163	3.0
227.06950	5.1
229.07056	13.1
235.06009	2.0
239.07056	1.2
241.08641	3.6
245.08170	1.3
251.07025	6.6
257.08124	3.0
269.08054	15.6
287.09152	5.8
297.07587	1.1
315.08484	7.5
333.09528	2.9
347.11258	3.3
357.09830	1.3
375.10767	4.1
378.65405	1.0
389.12344	1.2
393.11768	3.7
435.12949	2.9
558.55872	1.1
659.28790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96072	1.0
53.03948	8.8
55.01859	3.6
57.03437	1.1
63.72136	0.9
65.03932	1.7
69.03436	8.0
70.06586	1.0
70.88806	2.6
71.04994	2.9
79.05512	1.0
81.03424	100.0
85.02911	15.3
91.05487	93.9
95.04958	1.0
97.02895	10.5
98.21201	1.5
99.04469	12.3
103.03944	1.2
103.05475	2.7
105.03429	1.0
105.07043	3.3
107.05000	1.7
109.02142	1.8
109.02889	38.1
115.05465	23.9
117.07031	40.3
119.04948	20.6
120.44362	1.0
121.06480	1.4
125.02374	3.4
127.03925	47.2
128.06253	1.4
129.07005	4.1
131.04895	2.1
133.06488	9.9
137.06004	2.9
141.05440	1.6
141.06996	2.4
141.72646	0.9
143.04922	16.5
145.04979	3.8
145.06488	17.4
147.04424	2.4
151.03871	1.6
152.06204	0.9
153.07002	3.5
155.06059	2.0
155.08600	2.0
157.06490	3.7
161.05988	44.0
162.06308	1.8
163.07520	1.2
165.07034	2.1
167.07088	2.0
167.08496	1.4
169.04962	6.1
169.06371	2.1
171.04427	32.5
171.08063	3.3
173.06003	2.2
179.07077	11.1
181.05038	2.2
181.06444	7.1
183.08075	5.6
185.05991	1.9
187.06007	8.8
189.05484	28.3
195.08049	2.8
199.07533	4.0
203.06950	1.7
205.06477	1.6
206.98262	1.2
207.06563	2.5
209.06036	10.7
211.07596	1.4
217.04932	3.8
221.08148	1.2
223.07520	6.4
225.09157	2.5
227.07104	4.0
229.07039	11.4
235.05965	2.8
239.06999	1.6
241.08568	4.1
243.10048	1.5
250.44450	1.0
251.06995	6.0
257.08170	2.0
269.08090	18.6
287.09155	6.9
295.48911	1.2
297.07513	2.8
315.08566	9.8
329.10324	1.5
347.11249	3.4
356.39130	1.0
375.10727	3.7
389.12479	1.7
393.11804	3.9
417.11002	1.1
435.12854	3.1
481.25647	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80381	0.8
52.48514	0.8
53.03947	7.0
55.01866	2.3
58.93823	1.0
65.03906	1.3
68.99804	0.9
69.03422	4.2
71.00211	2.7
71.04994	2.8
73.13873	0.8
74.70425	0.8
81.03421	100.0
82.03741	1.4
85.02899	12.7
89.07944	0.8
91.05484	89.9
92.05798	1.0
95.01301	1.0
97.02357	1.3
97.02901	9.8
99.04464	8.8
103.05497	1.5
105.03394	1.2
105.07032	2.6
107.04987	2.0
109.02882	34.1
115.05454	19.5
116.14278	0.9
117.07018	35.2
119.04944	19.1
125.02354	2.8
127.03924	45.7
129.07014	2.3
131.04938	1.9
133.06506	9.5
141.05475	0.9
141.06955	3.1
143.04938	13.0
143.52068	0.9
145.04976	3.5
145.06485	16.0
147.04434	1.3
149.69876	0.9
153.01834	1.1
153.06979	3.4
155.06088	1.1
155.08527	2.5
157.06525	1.9
159.04483	1.1
161.05980	46.2
165.06996	1.1
167.08542	2.3
169.04996	7.8
169.06387	1.8
171.04419	26.7
171.08022	2.4
179.07083	7.3
181.06451	5.7
183.08046	5.9
187.06020	7.5
187.07582	1.5
189.05461	23.7
195.08043	3.8
197.05904	1.0
199.07532	3.4
203.07010	1.2
205.06696	1.1
207.06496	2.8
209.05975	12.1
209.39877	1.1
211.07545	1.9
217.04935	3.2
223.07506	6.4
225.09087	4.6
227.07013	5.4
229.07054	10.3
235.05925	2.0
239.07037	1.8
241.08678	2.2
243.10246	1.2
245.08022	1.4
247.08099	1.1
251.07091	4.3
257.08109	2.2
269.08160	16.6
287.09042	5.3
297.07593	3.5
305.10367	1.2
315.08652	9.4
329.10550	1.7
333.09717	2.8
347.11240	3.5
357.09781	1.6
370.06772	1.0
375.10718	4.3
389.12347	2.0
393.11926	4.6
435.12860	1.9
599.24921	1.3
660.79486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.0
55.01862	3.0
59.67362	0.8
65.03922	1.4
69.03435	6.7
69.78841	0.9
71.04997	2.1
71.50803	1.0
79.05437	1.2
81.03422	100.0
82.03772	1.2
85.02907	13.8
91.05486	93.5
92.05818	1.3
97.02899	10.3
99.04459	9.6
103.05480	1.6
105.03365	2.1
105.07032	3.8
107.04974	1.8
109.02883	37.7
110.58556	1.0
115.04687	1.6
115.05461	19.7
117.07023	37.8
119.04947	18.7
125.02356	2.9
127.03927	42.9
129.07022	4.2
131.04900	1.0
133.06476	7.1
139.03822	0.9
139.25363	1.0
141.05428	2.0
141.06989	2.0
143.04919	17.2
145.04958	4.2
145.06487	14.9
146.94896	0.9
147.04379	2.4
153.06972	3.4
155.06041	1.8
155.08533	2.6
157.06488	2.1
161.05995	47.0
163.07414	1.1
165.07001	2.0
167.08539	1.5
169.04968	6.4
169.06335	1.8
171.04407	30.1
171.08061	2.8
173.05927	1.4
179.07022	9.9
179.08559	1.9
181.06424	4.3
183.08078	3.9
185.05959	2.8
187.06049	8.9
187.07555	1.7
189.05475	22.0
195.08044	4.3
197.05992	1.6
199.07515	2.5
201.05431	1.3
207.06450	1.7
209.05981	11.9
211.07510	1.5
213.08989	1.4
217.04951	4.2
223.07536	6.4
225.09119	3.3
227.07030	3.5
229.07063	12.8
231.06686	1.0
235.05978	1.7
239.07014	1.8
240.99306	1.0
241.08646	3.4
249.07512	0.9
251.06952	5.2
257.08066	3.4
269.08096	17.2
284.05563	0.9
287.09216	6.1
287.11996	1.3
291.08789	1.4
297.07547	2.1
315.08682	9.1
329.09967	1.9
333.09595	2.5
347.11246	3.8
357.09698	1.4
375.10730	3.6
393.11838	2.3
399.82648	1.0
435.12744	3.2
538.63763	1.0
553.17462	1.2
568.33154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.05518	7.2
56.05048	1.2
57.03446	0.5
57.05834	0.8
69.03439	1.6
69.61497	1.9
70.06606	2.4
72.08161	100.0
81.03422	1.8
84.04510	6.4
84.08151	1.2
85.02917	2.6
86.06069	3.2
86.09721	2.0
91.05541	0.6
93.17120	0.4
97.02924	1.6
102.05551	6.5
105.52584	0.4
107.04955	0.9
109.02895	2.0
114.05538	4.5
123.04475	0.4
127.03927	23.1
128.04271	0.5
129.10251	0.6
130.05035	1.8
131.04964	0.8
135.11696	0.5
138.09216	0.9
141.23642	0.5
141.30768	0.4
143.11810	10.0
145.05013	0.6
148.06058	8.5
151.03960	0.8
156.10249	0.9
157.09744	1.1
159.02861	0.5
161.06055	0.8
171.11328	4.7
183.11343	4.5
185.09227	19.3
201.12338	4.3
211.10921	1.5
229.11845	9.2
229.13875	0.5
245.11319	0.5
247.12872	5.4
256.16574	11.4
284.16074	30.9
300.15619	5.3
328.18692	1.5
358.16245	1.9
376.17255	1.6
413.20331	26.8
512.27362	1.8
659.22931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
54.31870	0.8
55.05513	6.4
55.27561	0.8
57.03452	5.2
57.07062	0.9
61.02917	2.5
65.03939	1.4
67.05512	27.4
69.03416	1.3
69.07072	8.6
70.06573	1.1
71.04972	3.3
73.02907	1.0
79.05090	0.8
79.05506	15.1
81.03425	7.0
81.07066	36.5
83.04964	3.5
83.08627	8.7
85.02901	3.4
85.06522	2.4
91.05491	17.6
93.07052	28.1
95.04958	3.0
95.08615	12.5
97.02918	1.4
97.06530	4.8
97.10180	2.1
98.20767	1.6
99.04495	1.9
99.08071	1.3
105.07037	6.2
107.05006	2.1
107.08611	15.7
109.02856	2.3
109.06551	1.0
109.10140	2.8
111.08103	2.9
115.05474	1.3
117.07031	8.7
118.07318	0.9
119.08602	4.1
121.06522	1.6
121.10161	8.5
123.11739	2.3
127.03917	2.7
129.07024	1.9
131.08572	7.2
133.10143	7.4
135.11688	5.2
143.08554	2.4
145.10132	2.9
147.11708	1.8
149.13269	11.4
155.08611	1.1
157.10112	1.7
159.11722	5.3
161.05975	2.6
169.10216	0.9
171.04378	1.3
171.08041	1.1
171.11668	1.6
177.12738	2.2
183.11790	1.2
189.05458	1.4
195.12204	0.9
195.13814	5.1
199.14771	1.0
213.14888	1.2
237.16345	0.9
251.16428	1.8
269.17517	24.1
353.24716	1.6
371.25839	2.5
389.26801	2.8
413.21719	1.4
433.14664	0.9
445.29672	12.5
463.30597	100.0
464.30884	4.2
481.31064	0.9
607.34821	5.2
663.65143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01871	1.7
55.05307	0.8
55.05514	8.4
57.03442	7.4
57.07063	2.0
58.06589	1.0
61.02931	8.1
61.42107	0.9
65.03929	1.3
65.65917	0.9
67.05508	36.7
68.05823	1.5
69.03421	2.7
69.07075	12.6
69.51637	4.8
70.06589	1.9
71.04983	3.5
71.08617	0.9
73.02913	3.5
79.05500	24.1
81.03408	2.8
81.07059	51.9
81.20639	0.7
82.07399	1.6
83.04980	4.2
83.08630	10.0
85.02526	0.7
85.02917	9.6
85.06534	2.3
88.07620	3.0
91.03961	4.5
91.05477	14.0
93.07047	32.0
93.07642	1.6
94.07394	1.0
95.04964	3.0
95.08608	13.1
97.02892	6.6
97.06524	4.3
99.04475	1.9
99.08078	0.9
102.09194	1.2
105.07048	4.2
107.04975	1.5
107.08595	19.3
109.06514	1.3
109.10165	4.1
111.08067	2.9
117.07035	5.6
119.08582	2.0
121.06462	1.3
121.10155	9.8
123.11694	3.4
127.03930	3.0
128.04272	0.9
131.08554	5.6
133.10130	8.3
135.11713	6.7
145.04926	1.7
147.11693	1.8
149.02354	2.5
149.09727	1.1
149.13271	15.1
151.11179	1.3
159.11690	6.5
177.12749	3.3
193.04955	2.9
194.05322	1.5
195.13829	10.2
213.14636	0.8
251.16504	1.8
256.26239	2.2
257.26669	2.4
262.22427	1.2
269.17490	52.3
275.33618	0.9
335.25806	1.3
336.26218	3.4
386.09390	1.1
387.10025	1.1
430.11758	0.9
431.12192	1.2
463.30557	100.0
464.30817	3.0
660.36395	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	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01866	1.7
55.05513	9.6
57.03445	7.9
61.02927	11.9
65.03938	1.8
67.05507	39.8
69.03418	4.3
69.06727	1.0
69.07072	12.7
71.04996	4.1
73.02902	4.4
79.05498	23.0
81.03428	5.0
81.07057	52.1
82.07391	1.0
83.04993	3.6
83.08612	10.4
85.02911	12.9
85.06541	2.6
86.03255	1.2
88.07642	0.8
90.76210	0.7
91.03952	5.7
91.05482	17.3
93.07044	35.6
94.07368	0.9
95.04967	2.8
95.08610	12.5
96.08964	1.0
97.02894	10.6
97.06529	6.6
97.10179	1.2
98.03228	1.3
98.21535	1.2
99.04448	1.5
99.08082	1.1
101.02395	1.1
103.03977	1.4
105.04519	0.8
105.07054	5.4
107.08595	17.5
109.02865	1.8
109.06530	1.4
109.10161	3.5
110.10419	0.7
111.08084	3.1
117.07016	7.2
119.08578	3.2
121.06512	1.8
121.10148	8.3
123.08115	0.8
123.11726	4.6
125.09684	0.8
127.03859	3.4
131.04959	0.8
131.08572	6.3
133.10123	11.4
135.08073	1.4
135.11700	6.7
145.04991	1.5
147.11642	0.7
149.02348	0.9
149.09636	1.2
149.13277	12.5
151.11206	1.5
159.11722	6.4
160.12021	0.9
173.13283	0.9
177.12737	3.0
183.06410	0.7
185.13235	1.0
194.05405	0.8
195.13803	10.6
198.38834	0.8
213.14804	1.5
251.16472	2.1
256.26498	1.0
257.26675	1.3
262.22443	1.3
269.04413	0.7
269.17490	64.6
335.25845	3.3
336.26077	5.4
353.24585	1.1
387.09866	0.9
445.29495	1.3
463.30554	100.0
464.30997	2.9
660.36572	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	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84455	0.5
53.03936	2.6
55.01873	1.4
55.05310	0.5
55.05513	5.9
57.03442	4.7
57.07051	0.7
60.40147	0.5
61.02919	2.7
65.03930	1.5
67.05508	28.1
69.03430	1.5
69.07074	8.9
69.41551	5.0
70.06617	0.7
71.04990	2.3
73.02922	0.8
79.05502	18.5
81.03416	10.6
81.07060	39.9
82.03739	1.2
83.04976	2.6
83.08154	1.0
83.08621	9.0
84.62656	0.7
85.02924	3.1
85.06547	1.9
90.91383	0.6
91.03940	1.0
91.05486	17.2
92.05840	1.2
93.07047	26.2
93.56328	0.6
95.04971	2.4
95.08614	11.1
97.02898	2.0
97.06538	4.2
97.10162	0.9
99.04481	1.4
99.08133	0.7
103.05430	0.9
105.07034	5.5
107.04945	2.5
107.08591	16.5
109.02882	5.8
109.06496	1.5
109.10160	2.3
111.08116	3.0
113.09655	0.7
115.05473	1.0
117.07032	9.3
119.04956	1.4
119.08576	3.3
121.06505	1.2
121.10156	7.2
123.11741	1.8
127.03931	4.7
129.07011	1.7
131.08578	6.8
133.06511	0.8
133.10132	6.6
135.08022	1.2
135.11688	4.3
141.07014	1.0
143.04906	1.0
143.08556	1.4
145.06523	1.2
145.10126	1.6
147.11668	1.5
149.13271	10.5
155.08548	0.8
157.10194	1.1
159.11676	5.6
161.05992	2.4
161.09691	0.6
162.06381	1.2
167.08617	0.8
169.04927	1.1
169.10249	1.0
171.04453	1.0
172.04756	1.3
173.13379	0.8
177.12761	2.0
189.05493	1.6
190.05795	1.0
195.12013	0.9
195.13818	7.6
201.16447	0.6
209.05841	0.8
213.14941	1.4
229.06970	1.0
251.16376	1.7
269.08081	1.4
269.17487	26.8
270.08374	0.6
335.23804	0.8
353.24957	1.8
371.25793	1.0
380.55133	0.6
389.27057	1.5
427.28629	1.0
445.29535	12.6
463.30569	100.0
464.31116	3.8
481.31558	0.8
604.29327	0.8
607.34381	2.9
609.49072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01883	1.3
55.05519	7.1
57.03441	7.6
57.07062	1.7
59.04987	0.8
61.02928	2.0
65.03943	1.2
67.05511	32.5
69.07078	11.9
69.86009	3.6
70.96085	0.7
71.04990	2.1
73.86250	0.7
79.05497	19.7
81.03412	2.3
81.07060	45.0
83.04992	3.9
83.08626	7.6
85.02905	1.1
85.06541	2.4
91.03975	1.0
91.05486	9.4
93.07048	31.8
95.04983	2.0
95.08611	11.8
97.02896	1.1
97.06534	6.4
98.20784	1.0
99.08092	1.3
105.07027	3.9
107.08595	17.5
109.06518	1.1
109.10139	2.1
111.08108	4.2
117.07033	4.7
121.06500	0.8
121.10146	10.3
123.11748	2.0
127.03909	0.8
131.08577	5.6
133.10136	5.4
135.08089	1.0
135.11719	5.6
139.07596	0.9
139.11171	0.8
142.16266	0.8
147.11783	0.8
149.13268	18.3
159.11678	7.6
167.14397	0.8
175.29900	0.8
177.02321	0.9
177.12766	3.1
195.13818	7.6
213.14850	1.6
251.16383	1.6
269.17499	54.3
284.78778	0.8
445.29343	0.8
463.30569	100.0
464.31046	2.4
547.60370	0.7
613.53223	0.8
624.82642	0.9
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
52.84491	0.5
53.03943	1.4
55.01871	0.8
55.05271	0.6
55.05517	8.3
56.04071	0.4
56.05027	0.5
57.03426	1.3
57.07071	2.0
65.03935	1.5
67.05509	39.5
69.07074	12.5
69.86868	2.9
71.05002	3.6
71.08641	1.3
72.78710	0.5
79.05497	10.6
79.65789	0.5
81.07063	52.7
82.07384	0.5
83.04984	1.6
83.08627	4.5
85.06548	5.7
89.06038	2.2
90.06352	0.5
91.05490	7.6
93.07053	9.4
95.04983	0.7
95.08613	44.7
96.08957	1.0
97.06519	2.3
97.10161	1.6
99.08125	1.0
105.07040	5.0
107.08593	4.1
109.06516	0.9
109.10159	5.5
111.08094	1.2
119.08601	5.2
121.10154	4.5
123.08092	1.0
123.11723	3.7
124.01619	0.7
125.09592	0.6
129.07010	0.5
131.08539	1.2
131.20082	0.5
133.08615	1.3
133.10158	2.7
135.11693	1.9
137.13271	2.5
137.85365	0.5
147.11697	5.4
149.13243	0.9
155.01036	0.8
161.13257	1.1
163.14908	0.8
165.12755	2.3
175.14769	0.6
182.91058	0.5
183.13814	1.6
201.14903	1.1
208.16998	7.4
226.18062	6.2
245.22552	0.7
257.17532	2.2
259.92090	0.5
263.23782	1.9
306.14673	1.8
306.27826	3.9
324.15747	0.6
336.26154	1.0
337.14075	0.6
337.27353	2.9
345.65878	0.6
362.17273	1.5
380.18283	4.7
519.40491	100.0
520.40625	3.6
642.41425	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	661.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
55.01861	4.9
55.05514	18.5
57.03439	19.4
57.07088	5.5
61.02932	86.3
61.08459	3.2
67.05508	46.2
69.03446	36.3
69.07066	21.6
71.04997	6.9
71.51662	5.0
73.02930	32.7
79.05501	25.3
81.03431	23.3
81.06653	4.6
81.07067	52.9
83.04969	7.4
83.08624	10.8
85.02914	100.0
91.03961	51.2
91.05470	15.6
93.07065	21.1
95.08615	40.0
97.02895	77.0
97.06559	3.7
97.10176	5.4
99.04454	12.6
99.08029	3.5
101.02360	4.7
103.03933	9.3
105.07035	10.1
107.08601	12.5
109.02873	13.4
109.06529	4.3
109.10167	14.8
111.04490	4.9
115.03911	7.0
119.08559	7.6
121.10130	10.3
123.11684	9.1
127.03926	36.4
127.11211	3.1
128.06296	3.6
129.05516	4.9
131.08629	3.6
133.10127	8.7
135.11734	5.2
145.05000	26.2
145.10106	4.0
147.11668	6.0
155.08563	4.1
161.13269	5.7
163.06001	8.5
163.14809	4.1
173.13208	3.8
183.06519	6.6
195.11671	3.3
201.07582	8.7
245.22690	7.8
259.20630	3.9
263.23700	15.1
305.25027	4.2
337.27377	81.1
337.31207	6.8
371.26147	3.4
445.29239	3.8
481.31451	7.3
515.53345	3.5
660.07495	3.7
661.40350	5.0
663.86603	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	663.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.05513	1.0
57.03446	2.0
57.07074	7.6
57.69920	0.9
61.02930	5.9
67.05512	4.5
69.03439	4.1
69.07072	0.9
71.04978	0.8
71.52102	0.9
73.02925	4.8
79.05495	2.7
80.23826	0.8
81.03431	1.5
81.07055	4.1
83.08637	1.1
85.02909	7.1
87.03270	1.1
87.04473	3.9
89.06061	0.8
91.03960	2.5
91.05495	1.7
93.07037	4.0
95.08609	3.1
97.02900	5.5
99.04511	0.9
101.02372	1.4
103.03976	0.8
105.07047	1.2
107.08600	1.8
109.02893	0.8
109.10182	2.5
115.03931	0.8
119.08624	1.5
121.10128	1.2
127.03908	1.8
127.11229	3.0
135.11668	1.5
177.95624	0.8
181.39815	0.8
201.14912	2.3
209.14005	0.7
216.94992	1.0
243.08418	1.1
257.38828	0.8
259.04926	0.7
327.07990	2.1
367.83206	0.8
383.14081	2.4
385.18323	7.8
424.05075	0.7
436.29156	0.7
495.26434	1.0
504.78403	0.7
519.29169	6.9
551.32916	1.9
607.39490	1.4
663.40778	100.0
664.41199	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	663.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	53.8
57.07479	1.8
59.11950	0.6
60.48479	0.5
69.07010	0.9
69.55917	1.6
69.56329	2.3
72.47421	0.5
77.03538	0.6
77.03954	1.0
87.04417	0.7
91.05493	7.4
95.04927	0.7
105.07005	2.9
117.06931	1.2
119.08502	1.8
132.09323	1.0
147.11694	6.7
149.13261	0.6
152.06165	1.5
153.06982	4.7
161.13217	0.7
167.25504	0.6
187.29111	0.7
191.08865	0.6
215.02489	0.8
228.09380	1.1
229.10129	1.4
233.03650	6.9
251.02150	1.2
251.04691	18.1
307.10889	2.2
307.22580	0.6
327.07803	100.0
328.08160	1.9
383.14075	78.3
384.14575	1.7
439.20355	66.7
440.20749	1.7
495.26611	76.5
496.27042	1.8
551.32867	92.9
552.33484	3.1
552.40985	0.7
607.39099	60.0
608.39777	2.7
663.45453	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	664.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01877	4.7
55.05510	7.7
57.03444	2.9
57.07071	3.1
59.05000	2.4
61.34686	1.0
65.03917	1.1
67.05173	1.5
67.05509	15.2
69.07074	6.8
69.26984	2.8
69.27406	7.5
79.05492	10.9
81.06592	1.8
81.07061	36.4
83.05002	2.6
83.08619	3.5
87.04474	1.0
91.05502	7.1
93.07052	12.4
94.92696	1.0
95.04977	0.9
95.08612	13.6
97.06539	2.5
97.81039	1.0
105.07022	5.4
107.08611	9.2
109.06516	12.1
109.10165	5.5
111.04440	14.2
111.08086	2.1
115.07526	1.0
117.06985	1.2
119.08597	5.8
121.10154	6.4
123.08104	2.2
123.11704	2.8
125.05978	4.0
131.08557	2.4
133.10112	4.5
135.08072	2.7
135.11676	5.5
137.05984	100.0
137.13268	3.5
143.08591	1.7
145.10144	2.5
147.08023	1.3
147.11685	5.8
149.09610	4.4
149.13284	2.6
151.07587	2.0
151.11252	1.3
157.10168	2.0
159.11705	1.3
161.09610	7.4
161.10754	1.0
161.13164	2.2
163.11169	3.6
163.14890	1.5
165.09108	2.4
165.12955	1.0
167.68996	0.9
171.11671	2.4
175.11206	4.4
175.14738	1.6
179.10716	2.0
184.07349	1.2
203.17999	4.8
207.13863	1.0
213.16389	2.4
221.19026	1.4
231.17522	7.7
231.69420	0.9
249.18501	5.8
250.41475	0.9
261.22208	1.1
277.17999	59.2
295.19009	6.1
335.25806	31.6
351.21689	18.7
369.22824	1.6
446.69925	1.1
552.32898	1.5
611.43060	58.8
612.43311	2.4
629.43829	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	665.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.4
51.02393	0.3
53.03959	1.8
55.01879	0.5
57.54655	0.3
61.02941	0.3
65.03953	0.5
68.99789	0.6
69.03429	1.6
69.25817	2.6
70.91382	0.3
70.96548	0.3
71.05000	0.3
73.02927	0.8
79.05504	2.1
81.03421	3.0
81.07043	0.8
83.04977	0.4
85.02905	2.1
87.00820	0.4
88.16439	0.3
91.05466	1.7
92.02617	0.5
93.07072	0.5
94.04178	1.8
95.04979	1.3
95.08604	0.4
97.02894	1.5
99.04504	0.4
103.03966	0.6
103.05457	0.7
105.03385	0.7
105.04516	0.7
105.07026	3.5
107.04968	1.2
107.08604	0.4
109.02898	1.8
109.06532	1.2
109.10194	0.3
111.04453	0.6
115.03943	0.4
115.05453	1.9
117.07036	0.6
119.04921	0.6
119.08598	1.0
121.02864	0.4
121.06512	0.6
122.03653	3.4
127.03933	1.9
128.06226	0.9
129.01935	0.3
129.07021	1.3
131.04959	1.1
131.91071	0.3
132.05725	1.0
133.02869	7.2
133.06488	2.0
135.04425	6.4
137.05988	41.3
138.06320	0.4
143.04997	0.4
143.08553	0.4
144.05629	0.4
145.04968	0.5
146.03645	0.3
147.04437	1.1
147.08028	1.6
149.02350	7.8
149.05986	0.8
151.03853	0.4
152.06244	0.3
155.04883	0.3
159.08107	1.5
160.05240	1.2
161.04576	0.4
161.05986	7.6
163.03912	100.0
164.04240	0.9
165.06982	0.5
171.08078	0.4
172.05220	0.5
173.05968	0.4
175.07568	12.7
177.05435	0.7
178.73448	0.3
179.06926	0.4
181.05002	1.0
184.05177	0.6
185.13324	0.4
187.07571	4.2
189.09108	0.5
190.07811	1.2
191.08540	4.2
192.09276	0.4
194.72714	0.3
199.07565	3.8
201.08972	0.4
202.07765	1.9
203.06888	0.5
203.08568	3.4
205.06458	0.4
209.09706	0.4
215.08638	0.5
217.08592	0.6
218.07256	1.1
219.08098	5.0
220.08826	1.3
221.09726	0.4
231.08102	3.6
232.08847	0.8
233.09662	0.5
235.07555	0.6
236.08316	0.9
237.09023	0.8
245.09631	0.3
246.06818	0.4
247.07571	2.6
248.08281	1.8
249.08931	0.5
251.10689	6.1
251.13248	0.4
253.08705	0.3
254.09262	0.3
255.10123	0.3
259.07526	2.3
260.08334	0.8
261.09061	0.9
263.10666	2.0
264.07825	0.9
265.08694	0.6
266.09348	0.5
267.10358	0.5
273.11478	0.4
275.06949	0.3
276.07831	1.1
277.08609	1.6
279.10190	4.6
280.10760	0.6
283.09576	0.5
284.10602	0.7
285.11160	0.5
291.10141	5.2
292.10846	1.3
293.08011	0.5
293.11487	0.5
295.09641	0.6
295.13101	0.4
297.11203	2.5
307.08212	0.5
308.10449	0.6
309.11261	0.4
311.12790	11.3
315.12238	1.1
321.11270	0.5
323.12796	6.0
337.10739	0.5
339.12247	0.8
341.14005	0.3
363.12271	0.6
381.13162	0.5
694.14386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.03944	1.5
55.01876	0.5
55.57885	0.3
65.71597	0.3
67.05512	0.4
69.03447	1.9
69.53269	1.4
69.53698	0.7
73.02927	0.4
79.05495	2.4
81.03431	2.6
81.07066	0.9
82.80414	0.3
85.02901	2.2
87.00828	0.4
90.65907	0.4
91.05482	2.7
92.02622	0.7
93.07041	0.5
94.04189	1.5
95.04982	1.9
97.02888	0.8
99.04477	0.8
103.03943	0.5
103.05470	1.1
104.06264	0.4
105.03407	0.9
105.04530	0.9
105.07033	3.0
107.04957	1.2
107.08520	0.4
109.02870	1.5
109.06520	0.9
111.04426	0.5
115.05473	2.2
117.07036	0.6
119.04970	0.6
119.08569	1.4
120.05573	0.3
121.02905	0.4
121.03851	0.3
121.10136	0.4
122.03643	3.3
127.03927	1.8
128.06224	1.0
129.06985	1.1
131.04935	1.2
131.08562	0.3
132.05716	0.9
133.02867	6.5
133.06487	2.0
133.10083	0.5
135.04416	6.2
137.05980	43.1
139.18724	0.4
141.07094	0.3
143.04967	0.6
143.06062	0.4
145.04976	0.6
145.06500	0.5
146.03592	0.4
147.04424	1.2
147.08038	2.0
149.02338	6.5
149.05945	1.1
151.07596	0.5
156.05753	0.4
159.08043	1.2
160.05191	0.7
161.04614	0.6
161.05981	6.4
163.03908	100.0
164.04233	0.9
165.06956	0.3
167.07072	0.3
171.08035	0.7
172.05200	0.7
175.07553	13.2
181.04945	0.7
184.05287	0.4
185.06125	0.5
187.07516	4.3
189.07059	0.5
189.09033	0.6
190.07753	1.3
191.03430	0.5
191.08537	3.1
199.07550	3.6
202.07773	1.6
203.08571	2.8
204.09009	0.4
205.06451	0.4
217.08554	0.6
218.07167	1.0
219.08057	5.0
220.08791	1.2
231.08066	3.8
232.08784	0.6
233.09537	0.3
235.07431	0.5
236.08276	0.9
237.09067	0.6
239.10547	0.4
243.08092	0.4
247.07533	2.3
248.08400	2.3
249.09079	0.5
251.10747	4.9
253.08752	0.5
259.07520	2.0
260.08270	1.4
261.09137	0.6
263.10703	1.9
264.07785	0.4
264.11487	0.3
265.08676	0.5
266.09418	0.6
271.09656	0.3
276.07831	1.0
277.08603	1.3
279.10190	4.8
281.08087	0.6
284.10361	0.7
291.10147	5.4
292.10910	0.9
293.08197	0.5
293.11533	0.3
295.13202	0.6
297.11139	1.4
297.93890	0.3
307.08151	0.6
308.10382	0.8
309.11304	0.6
311.12787	9.9
315.12402	0.6
323.12778	5.5
339.12189	0.7
341.13843	0.5
363.12265	0.5
381.13123	0.4
409.83008	0.3
466.31775	0.3
488.90451	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.8
55.01865	1.1
57.03439	0.8
61.02917	1.4
66.04710	0.7
69.03439	4.0
69.83440	1.7
70.06597	3.9
71.92337	0.4
72.08141	1.6
73.02915	0.4
79.05491	2.1
81.03419	1.8
81.07046	1.1
84.04498	0.7
84.08135	1.3
85.02913	15.7
86.09721	3.0
91.03973	0.5
91.05495	3.9
94.04179	2.8
95.04918	0.5
97.02905	5.1
99.04469	0.7
103.05465	1.6
104.06261	0.7
105.07034	4.7
107.04935	1.0
108.64103	0.4
109.02888	1.2
109.06528	2.0
115.05466	3.9
117.06994	1.1
119.04932	1.2
119.08580	2.0
120.08138	0.7
121.06480	0.6
122.03654	6.9
127.03922	3.1
128.06219	1.5
129.07024	2.1
129.10304	0.5
130.05026	0.7
131.04939	1.8
132.05696	2.2
133.06505	4.4
137.05984	100.0
138.06296	0.6
139.06834	0.4
141.06921	0.6
143.04807	0.5
145.04993	2.7
145.06458	1.5
146.03674	0.6
147.04405	1.5
147.08104	2.4
149.05968	1.3
151.07576	0.9
155.04962	0.8
157.06529	0.6
159.08057	2.6
160.05235	1.9
161.05988	14.4
163.07480	1.0
167.07069	0.5
171.08092	1.1
172.05260	0.9
175.07561	27.2
179.07066	0.7
184.05219	0.7
185.06001	0.9
187.07550	9.6
189.07056	1.0
190.07797	1.9
191.08589	6.9
192.09192	0.5
199.07552	8.6
202.07791	3.0
203.08578	5.2
205.06616	0.6
205.08421	0.5
207.08173	0.5
213.15852	0.5
215.08687	0.6
217.08633	0.7
218.07295	2.0
219.08072	10.2
220.08856	1.7
221.09671	0.7
231.08087	5.6
232.08873	1.4
233.09570	0.6
235.07556	1.0
235.11198	0.7
236.08255	1.5
237.09181	0.8
247.07565	4.3
248.08348	3.5
249.09103	0.7
251.10674	12.1
259.07571	3.3
260.08334	1.6
261.09116	1.0
263.10727	3.5
264.07788	1.1
265.08643	1.0
275.07135	0.5
276.07874	2.0
277.08618	1.0
278.09067	0.5
279.10172	10.9
280.10916	1.4
281.08270	1.0
291.10156	8.0
292.11057	2.8
293.08212	0.8
295.09988	0.5
295.13339	1.1
296.10510	1.2
308.10324	1.0
311.12796	31.1
320.73221	0.5
323.12793	11.7
341.13898	1.1
488.12985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05515	1.7
57.03435	1.3
61.02931	4.3
67.05505	4.7
67.12580	0.4
69.03432	2.8
69.07064	1.6
71.01337	0.4
71.04985	0.8
71.33931	0.3
71.51487	0.5
73.02930	3.1
75.25042	0.3
79.05498	2.7
81.03419	1.3
81.07059	6.6
83.05003	0.4
83.08625	1.3
84.76468	0.3
85.02909	4.0
85.06579	0.5
88.83273	0.3
91.00932	0.4
91.03963	2.8
91.05475	2.4
93.07061	4.4
95.04932	0.8
95.08612	2.4
97.02914	3.7
97.06551	1.1
99.04446	0.5
101.02399	1.9
103.03955	0.6
105.07041	1.1
107.04931	0.4
107.08595	2.9
108.99373	0.4
109.02888	1.2
109.06564	0.5
109.10207	0.7
111.08134	0.4
117.07043	1.0
119.08622	0.6
121.10129	1.1
123.08067	0.4
123.11738	0.8
127.03943	1.2
131.08575	0.8
133.10162	1.4
135.11707	1.0
136.10129	0.4
145.10176	0.5
147.04431	0.5
149.13268	1.9
159.11768	0.9
161.13309	0.4
163.95276	0.3
177.12814	0.5
195.13812	1.5
223.14955	0.4
231.21129	0.5
235.13098	0.8
243.08479	2.4
269.17691	1.1
291.15771	0.6
377.04630	0.4
453.20959	15.4
527.26440	0.4
641.26959	0.4
665.35126	100.0
666.35364	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.05507	1.0
57.03434	1.3
61.02662	0.3
61.02938	3.5
65.53379	0.2
67.05508	4.7
69.03428	1.9
69.07088	1.6
70.06599	0.4
71.01360	0.6
71.04980	0.5
71.19530	0.5
73.02914	2.9
79.05509	2.4
81.03419	1.8
81.07057	5.7
83.04994	0.8
83.08641	1.5
85.02908	3.2
85.06532	0.6
86.09721	0.6
91.03973	1.7
91.05504	1.5
93.07046	5.0
95.04973	0.5
95.08602	1.5
97.02905	3.1
97.06551	0.9
99.04485	0.7
101.02392	1.3
103.05521	0.4
105.07028	0.6
107.04990	0.4
107.08598	2.4
109.02881	2.1
109.06529	0.3
109.10123	0.3
111.08118	0.7
117.07047	0.6
119.08627	0.4
121.10122	1.7
125.09676	0.3
127.03922	1.8
131.04941	0.9
131.08594	0.8
133.10158	1.1
135.08151	0.3
135.11716	0.9
139.11200	0.3
147.11671	0.3
149.13274	3.2
157.10245	0.3
159.11736	1.3
169.04961	0.4
177.12746	0.6
185.04251	0.5
194.23575	0.3
195.13850	0.6
203.05159	0.3
220.54590	0.3
235.13037	1.9
243.08401	2.2
269.17657	0.7
291.15799	0.6
322.05328	0.3
329.16354	0.3
453.20972	15.1
618.21106	0.3
665.35101	100.0
666.35339	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	665.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05504	0.6
57.03426	1.6
61.02932	3.2
67.05499	3.9
69.03427	2.1
69.07070	1.6
70.06598	0.6
70.80068	1.0
71.04993	0.4
73.02920	2.3
78.03857	0.4
79.05489	2.8
79.74160	0.4
81.03412	1.3
81.07053	4.5
83.04964	0.9
83.08615	0.9
85.02914	3.3
86.09706	0.9
91.03970	3.2
91.05489	1.9
93.07053	3.6
93.84795	0.4
95.04961	0.6
95.08624	1.5
97.02898	2.8
97.06506	0.9
99.04429	0.9
101.02384	1.0
105.07008	1.1
107.08626	2.0
108.79470	0.4
109.02856	0.7
111.08102	0.6
117.07013	0.6
119.08604	0.6
121.10159	1.2
127.03940	1.2
131.08565	1.1
133.10129	1.4
135.11681	0.9
137.06029	0.9
141.62836	0.4
149.13248	1.3
159.11717	1.2
161.05984	0.5
182.74614	0.4
185.04305	0.9
185.47682	0.5
190.72903	0.4
195.13896	1.4
209.50581	0.5
211.45610	0.4
235.13031	2.3
243.08388	1.8
245.47650	0.4
269.17554	1.6
453.20932	14.5
454.21652	0.6
665.35077	100.0
666.35321	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	665.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09019	0.4
54.59496	0.4
61.56698	0.4
69.07072	11.7
69.85612	1.0
69.86028	1.6
70.06586	1.8
72.08134	0.5
84.08141	1.0
85.02898	0.6
86.09709	100.0
87.10007	0.7
97.02833	0.5
98.20824	0.6
103.05477	1.0
120.08107	10.5
120.08957	0.8
131.04955	1.0
137.06020	1.9
143.30757	0.5
147.08049	0.5
161.06097	0.5
161.08641	0.4
166.08653	6.2
175.07574	1.2
185.65700	0.4
202.05946	0.4
239.29565	0.5
279.17047	43.1
311.12759	1.0
365.70514	0.5
665.24622	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.4
55.05510	0.5
57.03444	1.0
61.02926	0.3
67.05490	0.3
68.99789	0.4
69.03423	1.9
69.76704	1.2
70.06603	0.9
71.04997	3.0
72.08167	0.3
73.02902	0.6
79.05502	0.3
81.03426	1.5
81.07057	0.4
83.04974	1.4
84.08170	0.2
85.02910	7.4
86.09710	0.3
87.00848	1.6
91.05473	0.3
93.07018	0.2
95.04941	0.2
97.02916	1.5
97.06543	0.2
98.21456	0.3
99.04442	0.3
103.03949	0.5
105.01871	1.2
105.07028	0.2
107.04925	0.3
109.02885	1.8
111.04431	0.8
114.05716	0.2
117.01859	0.2
118.06541	0.3
119.08564	0.3
123.48753	0.2
127.03931	2.7
129.01888	0.3
129.05493	0.9
135.04460	0.3
137.05980	0.5
143.57925	0.2
145.04968	0.8
147.06529	0.3
151.03902	0.2
159.02873	0.3
162.09181	0.2
168.05611	0.2
171.02888	0.2
183.08081	2.8
183.14854	0.3
188.08363	0.2
189.03934	0.5
190.12270	0.4
195.08043	0.6
196.05254	0.6
197.05959	1.1
211.05537	0.4
211.07562	8.2
211.14444	0.3
213.03899	0.3
213.09282	0.3
214.06201	0.3
223.07590	0.4
224.04744	0.2
225.09108	0.4
226.09906	0.3
229.08644	4.0
231.05019	0.8
237.07555	0.4
239.07047	15.5
240.07550	0.4
241.08638	0.4
242.05719	0.3
253.08635	0.5
254.09351	0.3
256.10999	0.3
257.08118	11.7
258.08289	0.3
271.09702	0.8
272.10446	100.0
273.10852	2.0
297.11176	0.5
365.13870	0.3
411.83377	0.2
448.30621	0.5
504.32831	0.4
520.15833	2.9
666.28302	0.3
666.38556	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	666.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48851	1.4
50.87668	1.1
53.03942	6.5
55.01870	3.7
55.05515	10.1
55.29939	1.3
57.03435	4.3
59.11818	1.3
61.02926	5.3
65.03930	2.4
67.05179	2.1
67.05515	30.2
69.03440	21.1
69.07070	12.9
69.85536	5.6
70.06590	3.8
71.04986	4.0
73.02914	4.0
79.05500	19.9
80.43088	1.3
81.03430	15.3
81.07065	64.0
83.05004	1.7
83.08624	4.6
84.08160	2.6
85.02912	52.0
86.09680	1.3
87.00841	13.3
87.04485	1.8
91.03993	1.3
91.04910	1.6
91.05486	29.8
93.07053	52.0
93.07641	3.2
95.04956	4.2
95.08616	65.6
97.02895	21.1
97.10148	2.3
98.20937	2.5
99.04476	8.2
103.05481	4.2
105.01872	20.0
105.07039	76.9
107.04978	3.1
107.08604	65.0
109.02879	14.1
109.06509	2.1
109.10165	54.6
111.11722	1.7
117.07044	2.2
119.05006	1.6
119.08590	52.7
120.08122	45.0
121.02842	3.5
121.10148	24.5
123.11721	15.5
125.09635	3.0
127.03933	29.8
129.05493	1.5
131.04897	2.1
131.08589	3.2
133.06451	1.5
133.10135	32.5
135.11717	20.2
137.06009	7.2
137.13289	2.0
140.32857	1.2
145.02863	2.1
145.04956	13.9
145.10158	3.7
146.05960	1.5
147.04379	1.8
147.11703	57.8
149.13203	3.8
153.01927	1.3
159.02876	4.7
159.11769	2.8
161.05992	1.4
161.13287	17.7
162.09157	3.8
163.03940	5.0
163.14853	9.5
165.12781	4.7
175.14862	10.0
188.07115	2.5
195.02858	1.8
203.17975	100.0
206.08101	9.8
213.03923	2.9
221.18980	8.1
231.04883	10.2
246.43204	1.6
249.06012	3.3
255.06607	1.5
256.07471	2.1
258.08887	1.6
271.06064	6.2
272.10315	3.2
283.06033	5.5
284.06955	8.4
295.06055	13.4
309.07419	2.0
313.07098	50.9
314.07437	2.0
321.11374	1.8
333.07541	2.1
337.07144	6.1
361.06952	5.5
379.08316	2.7
397.09137	4.5
400.26886	1.9
415.10156	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	666.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
53.26395	0.8
55.01862	4.6
55.05517	6.2
57.03434	3.0
57.07077	1.3
67.05180	1.1
67.05512	16.4
69.06799	0.7
69.07078	7.8
69.17235	1.1
69.17555	8.8
71.05006	0.9
71.08610	1.3
79.05497	8.2
81.07065	33.8
83.04982	3.1
83.08618	3.8
90.04298	0.7
91.05502	5.4
93.07052	6.2
95.04975	1.4
95.08610	14.8
97.06528	1.7
97.10167	1.7
98.21453	1.9
105.07045	4.0
107.08598	5.7
109.06519	10.6
109.10164	5.6
111.04449	13.0
119.08570	4.8
121.10145	4.8
123.08067	1.6
123.11736	3.0
125.05994	5.0
131.08583	1.9
133.10147	5.0
135.08060	1.5
135.11699	4.2
137.05989	100.0
137.13264	1.1
138.06346	1.1
143.08548	1.1
145.10124	1.9
147.08063	1.2
147.11699	6.1
149.09612	3.6
149.13281	1.7
151.07587	2.1
151.11165	1.7
159.11690	1.4
161.09637	5.7
161.13264	2.3
163.11226	2.5
163.14856	1.7
165.09166	2.9
171.11777	1.4
173.13374	1.0
175.11186	5.1
175.14842	1.7
175.33992	0.9
177.12669	1.1
179.10674	1.9
181.12157	0.8
189.12791	2.3
203.17972	5.4
205.19638	1.0
213.16360	3.1
221.19026	1.6
231.17441	6.1
241.15814	1.0
249.18546	4.3
277.18011	50.1
295.19028	7.7
337.27414	26.6
337.30469	0.7
351.21704	17.3
369.22720	1.0
474.28867	0.8
613.44714	54.9
614.44946	1.9
631.45410	2.2
660.94641	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.0
55.01865	2.0
55.05513	21.2
55.36417	1.2
55.43579	1.6
57.03436	3.3
57.07083	12.3
61.02917	1.7
65.03932	3.8
67.05508	33.1
69.03431	7.2
69.07069	38.9
70.06577	4.1
71.04995	4.2
71.08619	4.8
71.51174	2.7
79.05496	20.1
79.38762	1.4
81.03400	5.4
81.07063	100.0
83.04977	3.2
83.08626	22.1
84.08150	2.8
85.02910	19.4
85.06081	1.8
85.06550	21.1
86.09685	1.8
89.74177	1.4
91.05484	14.7
93.03422	1.8
93.06476	2.6
93.07046	34.8
95.04965	7.0
95.08611	97.0
97.02880	6.1
97.06522	4.8
97.10175	20.2
99.04462	3.6
99.08096	2.5
100.11279	2.0
103.05483	1.8
105.04569	1.8
105.07039	15.6
107.04939	6.3
107.08602	35.0
109.02865	5.5
109.10164	52.7
110.03629	1.6
111.04430	4.4
111.08093	2.5
111.11714	11.9
118.04163	2.0
119.08572	12.5
121.09332	1.9
121.10157	25.9
122.03639	1.5
123.04420	2.3
123.08080	1.4
123.11715	33.7
125.05989	3.6
125.09550	1.8
125.13264	3.6
127.03902	6.1
128.06189	1.5
128.07051	1.6
129.07008	2.4
131.04910	4.3
131.08611	2.6
133.06525	2.0
133.10149	8.9
135.04385	2.8
135.11703	20.6
137.05980	12.9
137.09615	2.7
137.13268	13.8
140.14253	1.5
144.05606	1.6
145.04909	3.5
147.04376	2.9
147.08055	2.3
147.11743	7.1
149.05939	1.8
149.13277	24.9
151.03923	3.2
151.07520	1.8
151.14815	8.1
153.05472	9.3
153.12787	2.3
155.14223	1.6
159.07921	1.8
161.05988	3.9
161.13249	4.4
163.03944	3.2
163.14842	15.2
165.05602	1.9
165.16338	3.4
167.07063	14.9
170.15335	1.6
175.07581	3.9
175.14828	4.4
177.05524	2.0
177.16376	7.4
179.06973	2.3
179.17921	3.6
180.59070	1.5
181.04935	1.6
181.15828	1.5
182.10825	1.8
182.15442	2.4
187.07500	3.6
189.05415	2.4
189.16374	2.2
191.07005	2.0
191.08470	2.9
191.17987	4.3
195.17656	1.7
199.07460	2.1
202.07780	1.9
205.06660	2.0
210.14940	2.7
210.16771	1.5
218.07269	1.9
219.08035	4.8
221.09746	2.3
231.08200	1.8
234.06747	2.2
235.07411	2.4
236.08348	2.2
237.09088	1.9
248.08385	2.1
249.09081	2.0
251.10658	1.8
260.08209	2.5
261.05487	1.9
261.09015	2.5
261.25787	4.7
264.07828	1.8
265.08618	2.5
273.25797	11.6
276.07816	2.9
277.08478	2.9
279.10199	2.0
279.26840	7.9
280.10959	1.9
287.05505	2.8
291.26825	27.7
293.08255	2.2
297.27899	22.7
306.08957	1.9
307.09686	5.4
308.10361	2.2
309.27893	49.3
319.09598	3.0
321.11313	2.1
323.12808	2.8
327.28983	11.2
339.12280	49.1
339.16357	2.4
340.12527	2.4
345.29919	4.1
351.12238	12.2
669.34491	6.7
669.49835	3.4
682.80627	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89192	2.6
61.02927	3.6
67.05499	6.2
70.06554	3.7
79.05494	8.2
81.07027	6.0
86.09660	2.8
91.05483	9.3
92.54765	2.7
93.07034	4.8
94.04199	3.1
95.04954	3.5
97.02914	3.5
99.26327	2.9
105.07055	13.5
107.05001	4.0
107.08644	3.4
109.06516	5.0
115.05459	5.1
119.04994	4.4
122.03671	7.0
126.82445	2.6
131.04819	2.9
133.06483	8.5
137.05986	100.0
147.04428	15.2
147.10329	2.7
161.05992	63.3
192.09457	2.8
199.07573	20.9
202.07793	8.6
203.08545	16.3
204.09375	2.4
219.08067	5.1
220.08846	5.3
228.77635	3.1
231.08028	30.3
232.08864	6.8
247.07463	4.5
248.08295	9.8
259.07550	31.3
260.08328	15.7
263.10782	14.6
276.07858	12.3
291.10172	90.5
292.10849	6.6
323.12775	72.4
677.35828	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	670.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18067	2.0
52.81189	2.1
53.03944	3.6
55.05272	2.2
55.05514	28.7
57.03423	9.8
57.07079	15.8
61.02649	2.4
61.02928	24.6
67.05177	2.6
67.05507	30.6
69.03415	3.0
69.07073	44.1
71.08638	9.2
71.51292	1.9
73.02910	8.1
75.04514	3.0
79.05492	16.1
81.03406	2.9
81.06590	3.3
81.07060	54.9
83.08621	37.4
85.02908	28.5
85.10170	4.6
86.71497	1.8
91.03961	22.6
93.07050	21.9
95.08611	33.9
97.02895	11.9
97.06524	9.3
97.10175	22.3
99.04469	2.3
105.77914	1.9
107.08616	19.9
109.02824	2.1
109.10158	18.9
111.08061	4.8
111.11714	8.2
121.09331	3.7
121.10157	47.8
123.11722	12.4
125.09629	3.9
127.03915	8.8
127.11198	2.1
135.11697	30.0
137.13275	14.5
139.11182	2.5
143.10786	2.1
145.04945	16.7
149.13255	15.9
163.06044	13.8
163.14821	8.5
177.16377	2.3
219.21077	46.0
237.22144	100.0
238.22562	2.6
255.23201	21.7
294.18430	1.9
311.25821	99.6
329.26862	65.0
330.27444	2.9
437.38177	2.1
473.31097	5.1
571.51025	2.3
626.48840	2.1
685.46893	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03951	1.1
53.96745	0.1
55.01878	0.3
56.05035	0.3
58.42595	0.2
60.04520	0.6
61.90616	0.2
67.05512	0.2
69.03440	1.1
69.75771	0.4
69.76176	0.7
70.06599	1.5
71.04965	0.2
72.08156	1.0
76.72259	0.1
77.03957	0.3
79.05500	1.3
81.03439	1.2
82.56031	0.2
84.04521	0.7
84.08144	3.5
85.02434	0.3
85.02908	2.9
86.09707	0.6
91.05489	4.0
95.04959	0.8
97.02901	1.6
99.04472	0.5
103.05516	0.2
105.04528	0.5
105.07052	0.2
107.04964	100.0
108.05319	0.8
109.02901	3.4
117.07040	0.9
119.04966	0.4
120.08141	0.4
123.66154	0.2
127.03925	2.5
129.10258	1.7
130.05017	0.3
131.04938	0.4
136.07590	0.6
137.06000	0.3
145.05009	0.5
145.06509	2.4
147.04439	1.2
151.03947	0.2
161.05978	0.5
163.03889	0.2
166.07298	0.2
167.07097	0.5
169.04996	0.3
171.04398	0.2
177.05481	0.2
179.07048	2.5
187.06015	0.5
189.05475	1.7
195.03679	0.2
207.06502	0.8
225.07628	1.3
225.90811	0.2
226.51576	0.2
229.07187	0.2
247.08118	1.0
256.17090	0.2
319.51584	0.2
369.11975	0.8
388.12698	0.2
670.02832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41600	1.8
56.38558	1.6
56.41125	1.6
67.05508	3.1
68.77860	1.6
69.60888	10.5
70.06556	2.4
91.05472	4.2
94.04185	4.5
99.04397	1.8
103.05473	3.9
105.07039	15.8
107.04960	14.0
109.02886	1.8
109.06503	3.9
115.05451	5.0
122.03644	7.4
128.06223	2.0
131.04933	2.7
133.06503	12.2
137.05981	100.0
143.06007	2.6
146.03587	3.5
149.05992	2.4
161.05991	81.2
175.07498	2.4
175.10004	1.9
184.05215	2.3
187.07623	2.7
188.03481	1.9
199.07530	22.0
202.07744	6.6
203.08543	12.7
219.08058	5.8
220.08859	5.5
231.08092	29.8
232.08858	5.5
235.11104	3.1
247.07527	4.1
248.08305	9.7
258.06778	2.0
259.07526	22.9
260.08328	14.2
262.09946	2.7
263.10660	15.5
275.07004	2.8
276.07928	11.1
277.08652	5.0
291.10165	89.1
292.10858	6.7
293.08057	2.3
308.10556	2.0
323.12787	86.1
418.70203	1.8
543.27612	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05519	4.3
57.03450	3.3
57.07082	37.5
61.02931	14.1
67.05182	0.6
67.05510	9.5
69.03412	1.8
69.06739	0.7
69.07076	7.3
69.37415	3.0
71.04972	0.5
71.08640	28.7
73.02930	5.3
75.04464	1.8
79.05499	1.5
80.41923	0.4
81.03412	1.2
81.06590	0.9
81.07063	14.4
83.08153	0.8
83.08627	12.6
85.02912	17.6
85.10188	16.9
87.04482	0.4
89.06023	1.2
91.03964	14.6
91.05443	0.8
93.07064	0.7
95.04961	0.6
95.08616	21.3
95.90558	0.4
97.02901	8.7
97.10171	5.8
97.94274	0.4
99.04444	0.8
99.08152	0.5
99.11738	1.0
103.03968	0.5
103.07557	1.0
105.07040	0.7
109.02866	0.7
109.10169	11.7
111.11708	1.8
115.03923	1.0
121.10162	0.6
123.11722	4.2
125.13266	1.1
127.03937	5.3
137.13275	2.2
139.14819	0.7
145.04980	7.8
151.14803	0.9
163.06032	11.3
165.16446	0.6
173.71349	0.5
221.22740	0.9
239.23724	23.5
245.30803	0.4
257.24808	4.1
313.27386	100.0
314.27686	1.5
331.28455	36.0
342.86783	0.5
344.70572	0.4
702.28088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.3
55.01876	1.2
55.05512	6.0
57.03442	8.9
57.07080	1.2
60.50756	0.6
61.02924	2.3
65.03943	0.7
67.05506	36.7
69.03440	1.2
69.07071	8.8
69.29417	5.5
70.82884	0.6
71.04989	1.5
71.08636	0.8
73.02904	0.9
79.05495	13.8
81.03418	1.6
81.07058	21.9
83.08617	2.6
85.02905	3.3
85.06541	0.8
89.06039	1.2
91.03957	1.0
91.05482	6.2
93.07043	18.2
95.04952	1.6
95.08609	100.0
96.08941	1.1
97.02884	1.4
97.06529	2.7
97.10195	0.8
98.20705	1.5
100.80479	0.6
105.07036	5.1
107.08585	8.6
109.06504	0.6
109.10159	7.4
111.08102	0.8
117.07041	3.0
119.08588	4.5
121.10157	6.9
123.08089	2.3
123.11694	2.5
125.09653	0.6
125.95207	0.6
131.08578	3.9
133.10139	3.8
135.11688	5.5
137.13205	1.1
141.09096	7.6
145.10146	2.2
147.11694	3.2
149.13272	3.1
157.10101	0.7
158.48975	0.7
159.10201	7.8
159.11729	2.2
161.13290	2.0
163.14882	2.2
170.38101	0.6
173.13283	2.6
175.14839	1.4
177.16342	0.9
179.94685	0.7
181.05539	0.7
187.14868	1.5
213.11203	3.6
215.12794	62.4
216.13165	0.9
243.21097	3.7
261.22131	12.6
291.23093	0.7
317.24826	1.6
326.31165	0.9
335.25803	46.6
336.26135	0.9
342.86069	0.7
365.28574	0.9
383.29449	1.1
401.30392	1.1
406.76328	0.7
475.34253	19.5
493.35266	1.9
620.83325	0.7
672.39172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.05518	8.0
57.03442	9.9
57.07077	1.2
58.97434	0.5
61.02929	2.5
65.00489	0.6
65.03932	1.5
65.06024	0.6
67.05509	38.8
69.03435	1.5
69.07072	9.0
71.04980	1.5
71.51532	0.6
73.02927	1.1
79.05503	16.7
81.03419	1.2
81.07062	23.4
83.04987	0.8
83.08628	4.4
85.02892	2.4
91.03951	1.3
91.05481	8.7
93.07049	20.7
95.04976	1.9
95.08612	100.0
96.08900	0.6
97.02939	1.2
97.06539	4.1
97.10148	0.8
99.08110	0.8
103.03937	0.7
105.03406	4.5
105.07030	7.2
107.08595	10.6
109.10171	6.0
113.09647	0.9
114.97061	0.5
117.07033	2.4
119.08578	5.3
121.10149	7.1
123.08081	2.6
123.11739	3.4
125.09620	1.0
127.03922	0.8
131.08588	3.5
133.10152	4.3
135.11703	4.4
137.13295	1.1
139.35640	0.5
141.09099	4.8
145.10175	3.1
147.11691	3.3
149.05988	5.3
149.13252	3.6
159.10207	8.9
159.11734	1.9
161.13301	2.0
163.14848	2.0
173.13280	2.5
175.09705	0.8
175.14862	1.2
177.16391	0.9
187.14888	0.9
201.16541	0.6
213.11259	2.0
215.12801	48.2
216.13155	0.8
243.21132	3.5
261.22168	13.0
284.57346	0.6
317.24850	2.2
335.25806	43.6
336.26257	1.2
341.10223	1.1
365.28104	0.7
383.29544	0.9
393.78064	0.6
400.05542	0.6
437.23389	1.2
449.23660	1.4
465.19623	0.6
475.34198	29.0
476.34601	1.2
493.35245	1.9
495.24567	0.8
511.27039	1.2
523.28125	0.8
533.14557	1.0
595.29193	1.0
664.44104	0.7
672.31073	1.6
673.32349	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	672.526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.4
57.07080	28.3
59.05001	1.0
62.52085	0.9
67.05508	1.1
69.07069	4.7
69.71609	5.2
70.19826	0.8
71.08637	30.8
73.06557	9.7
75.10085	0.7
81.07067	1.3
81.09221	0.8
83.08633	4.2
85.10187	18.9
87.04467	8.9
89.06038	100.0
91.07603	0.7
93.07056	1.0
95.08601	1.2
97.10178	5.8
97.16798	0.7
97.49573	0.8
98.20798	1.1
99.11746	3.1
107.07059	2.3
111.11717	2.2
112.04339	0.7
113.13284	1.8
117.09148	6.8
119.08615	0.9
125.13288	1.3
125.85712	1.0
127.14883	1.9
130.08659	2.9
131.07048	2.0
133.08609	47.9
135.10162	1.0
161.11760	1.4
175.09700	1.8
175.17899	0.8
177.11235	19.0
179.00620	0.9
197.22714	2.9
221.13814	4.3
241.25281	2.0
265.16501	1.6
283.17453	1.5
285.27863	5.4
318.62433	0.9
329.30371	2.8
459.28049	3.7
644.80743	0.9
655.49719	3.3
666.24854	1.1
672.51984	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.8
53.03942	11.5
55.01874	7.2
55.05510	29.8
57.03430	9.1
57.07079	5.1
65.03949	8.0
66.04736	2.6
67.05511	85.2
69.03092	3.1
69.03439	49.2
69.07076	25.7
69.16948	29.0
71.04993	9.9
73.02143	2.4
79.05069	5.0
79.05502	71.7
81.03419	33.3
81.06593	5.2
81.07067	100.0
83.04974	12.2
83.08613	19.4
85.02903	4.9
85.06542	7.4
87.04440	4.3
89.06042	21.2
91.05491	71.0
93.06483	5.0
93.07054	81.4
95.04968	21.7
95.08615	49.0
97.02895	8.3
97.06548	13.5
97.10155	2.5
99.04491	3.8
105.04486	3.6
105.07041	48.9
107.04950	9.1
107.08609	42.4
109.02885	7.7
109.06528	7.4
109.10148	18.3
111.04431	6.6
111.08097	6.6
115.05427	5.2
117.07032	31.6
119.08585	31.6
121.06509	8.8
121.10151	24.2
123.08075	5.7
123.11696	10.2
127.03980	3.6
128.06200	4.5
129.05551	2.9
129.07042	15.0
130.07803	3.1
131.08571	32.2
133.06497	6.2
133.08662	12.7
133.10152	32.1
135.03534	2.9
135.08069	8.3
135.11742	14.1
137.09607	4.5
141.07025	6.4
143.08589	15.6
145.06511	6.3
145.10121	20.2
147.08049	7.0
147.11711	16.4
149.05914	2.7
149.09602	4.8
149.13242	18.5
151.11214	4.3
154.82263	3.0
155.08597	6.6
157.10117	10.3
159.08025	5.6
159.11713	23.4
161.13268	6.7
163.11186	5.0
163.14864	3.6
169.10109	6.1
171.11694	9.1
173.13281	11.0
175.11264	6.4
175.14815	3.1
177.11317	5.1
177.12764	11.4
181.10051	4.4
183.11737	5.6
185.13281	7.8
187.14835	5.2
195.11905	2.7
195.13805	11.5
197.13254	3.1
199.14861	5.6
203.14381	2.9
209.13344	3.6
211.15036	3.5
213.12895	3.5
259.20459	4.4
269.17429	24.8
275.20059	3.7
277.21603	4.6
278.85916	2.8
301.18124	3.0
301.21628	11.0
319.22678	4.9
327.23267	3.9
341.24631	3.3
351.23111	8.5
369.24173	17.7
387.25394	7.9
395.20700	4.2
398.07968	3.4
405.26178	3.8
413.68683	3.0
422.41672	2.9
425.26926	3.9
432.86374	2.5
443.28101	3.9
461.28754	9.7
466.36398	3.4
529.38538	5.3
609.20099	3.0
637.40399	4.2
655.41937	8.6
673.43005	46.8
674.07458	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	673.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	3.8
53.03942	11.5
55.01874	7.2
55.05510	29.8
57.03430	9.1
57.07079	5.1
65.03949	8.0
66.04736	2.6
67.05511	85.2
69.03092	3.1
69.03439	49.2
69.07076	25.7
69.16948	29.0
71.04993	9.9
73.02143	2.4
79.05069	5.0
79.05502	71.7
81.03419	33.3
81.06593	5.2
81.07067	100.0
83.04974	12.2
83.08613	19.4
85.02903	4.9
85.06542	7.4
87.04440	4.3
89.06042	21.2
91.05491	71.0
93.06483	5.0
93.07054	81.4
95.04968	21.7
95.08615	49.0
97.02895	8.3
97.06548	13.5
97.10155	2.5
99.04491	3.8
105.04486	3.6
105.07041	48.9
107.04950	9.1
107.08609	42.4
109.02885	7.7
109.06528	7.4
109.10148	18.3
111.04431	6.6
111.08097	6.6
115.05427	5.2
117.07032	31.6
119.08585	31.6
121.06509	8.8
121.10151	24.2
123.08075	5.7
123.11696	10.2
127.03980	3.6
128.06200	4.5
129.05551	2.9
129.07042	15.0
130.07803	3.1
131.08571	32.2
133.06497	6.2
133.08662	12.7
133.10152	32.1
135.03534	2.9
135.08069	8.3
135.11742	14.1
137.09607	4.5
141.07025	6.4
143.08589	15.6
145.06511	6.3
145.10121	20.2
147.08049	7.0
147.11711	16.4
149.05914	2.7
149.09602	4.8
149.13242	18.5
151.11214	4.3
154.82263	3.0
155.08597	6.6
157.10117	10.3
159.08025	5.6
159.11713	23.4
161.13268	6.7
163.11186	5.0
163.14864	3.6
169.10109	6.1
171.11694	9.1
173.13281	11.0
175.11264	6.4
175.14815	3.1
177.11317	5.1
177.12764	11.4
181.10051	4.4
183.11737	5.6
185.13281	7.8
187.14835	5.2
195.11905	2.7
195.13805	11.5
197.13254	3.1
199.14861	5.6
203.14381	2.9
209.13344	3.6
211.15036	3.5
213.12895	3.5
259.20459	4.4
269.17429	24.8
275.20059	3.7
277.21603	4.6
278.85916	2.8
301.18124	3.0
301.21628	11.0
319.22678	4.9
327.23267	3.9
341.24631	3.3
351.23111	8.5
369.24173	17.7
387.25394	7.9
395.20700	4.2
398.07968	3.4
405.26178	3.8
413.68683	3.0
422.41672	2.9
425.26926	3.9
432.86374	2.5
443.28101	3.9
461.28754	9.7
466.36398	3.4
529.38538	5.3
609.20099	3.0
637.40399	4.2
655.41937	8.6
673.43005	46.8
674.07458	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	674.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31345	1.7
53.23682	1.8
55.05518	16.4
57.03430	3.8
57.07080	42.1
57.83131	1.6
61.76205	1.6
66.55053	1.7
67.05510	15.5
69.07071	5.8
71.08633	26.4
71.63231	1.8
73.06558	10.8
79.05507	12.3
81.07056	18.3
83.08601	8.7
85.10190	22.1
87.04468	12.8
89.06039	100.0
91.05482	7.5
91.07597	2.8
93.07048	9.1
95.08619	12.1
96.08973	1.7
96.87673	1.8
97.10165	13.8
97.43171	1.7
99.11741	2.1
105.07040	7.5
107.08615	10.1
107.09204	1.9
109.10168	4.5
113.13319	1.9
117.07009	2.3
117.09152	9.6
119.08562	6.0
121.10121	5.8
122.49400	1.8
125.09659	3.6
131.07022	2.8
131.08614	4.2
133.08609	48.3
133.10144	2.4
135.11682	4.2
147.11674	2.2
149.13306	2.8
155.17958	5.9
159.11737	3.8
161.11719	2.6
161.13297	1.7
163.14900	2.1
173.13289	1.9
175.09668	2.6
177.11244	23.2
184.07361	1.9
199.20616	3.7
217.14359	24.7
221.13966	2.3
223.15025	1.9
243.21043	3.6
243.23293	11.0
261.22086	9.3
287.25751	6.0
335.25818	19.4
403.32098	3.7
477.35803	15.0
657.47626	3.3
674.41016	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	674.448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92085	3.7
55.01858	6.0
55.05509	47.9
56.05811	4.1
57.03434	10.2
66.35683	3.6
67.05508	61.4
67.06059	3.7
69.03415	5.4
69.07059	15.1
69.20930	11.4
69.21350	31.9
73.70846	3.4
75.12255	3.9
79.05492	70.7
81.07063	70.2
83.08625	24.3
84.10623	4.0
91.05480	23.9
93.07049	41.6
95.04981	3.9
95.08054	5.4
95.08610	51.1
97.06529	4.9
97.10185	36.8
105.07060	20.3
107.08600	46.2
109.10162	25.4
117.07012	8.3
119.08573	10.8
121.10129	30.6
123.11729	7.3
125.09633	30.1
131.08556	13.0
133.10130	11.1
135.11670	10.3
137.13208	4.4
143.10721	5.4
145.10081	12.2
147.11685	9.6
149.13269	10.6
159.11650	8.0
161.13199	9.2
163.14798	7.2
173.13269	4.8
215.12775	5.0
217.14383	100.0
226.19179	3.8
243.21071	13.2
261.22186	36.3
289.29608	4.6
335.25867	72.8
337.27307	6.8
353.26764	16.4
403.32016	11.4
442.01624	4.3
477.35809	63.5
674.41473	6.2
677.87152	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	674.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.8
57.03426	0.6
57.07080	30.2
59.05003	0.8
60.47824	0.6
67.05508	3.1
69.07069	2.0
71.08635	23.6
71.51701	0.9
73.02914	0.8
73.06560	9.0
79.05500	2.4
81.07063	2.8
83.08617	2.2
85.10189	21.0
87.04478	10.6
89.06037	100.0
91.05496	1.6
93.07071	2.2
95.08614	1.9
97.10182	5.1
99.11742	3.8
105.07057	1.4
107.05016	0.7
107.07084	2.1
107.08578	1.2
109.10165	1.5
111.11712	0.9
113.13303	1.1
117.09137	9.6
119.08601	0.8
121.10147	0.7
130.08672	2.2
131.07025	3.1
131.08589	0.8
133.08614	48.8
135.10182	1.5
149.13341	0.7
155.17967	4.7
161.11771	1.4
175.09688	1.8
177.11230	20.3
177.12700	1.3
195.92328	0.6
199.20567	3.8
217.14409	2.1
219.12314	0.6
221.13887	3.2
243.23134	6.4
265.16495	1.2
283.17603	1.4
287.25861	3.8
327.20050	0.8
335.25879	2.5
403.32010	0.9
477.35754	1.6
582.24426	1.3
614.26740	0.7
642.27069	0.8
657.47662	2.1
663.51862	0.8
674.29736	3.3
674.40381	1.6
674.50977	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13503	1.9
53.03946	9.9
55.01869	4.9
55.05517	28.1
57.03428	9.4
57.07072	3.7
64.89935	1.9
65.03934	5.6
67.05506	93.0
69.03086	3.2
69.03432	44.3
69.06734	2.4
69.07075	32.7
71.04973	6.9
78.89458	2.2
79.05496	52.7
81.03420	26.1
81.07056	80.9
83.05000	11.7
83.08615	14.6
85.02892	5.3
85.06530	6.3
89.06013	5.7
91.05486	47.7
93.06562	1.3
93.07042	52.4
95.04968	12.2
95.08611	100.0
97.02883	5.7
97.06545	12.3
97.10160	6.0
98.20748	5.8
99.04465	2.7
103.05463	2.5
105.07042	34.9
107.04947	7.9
107.08590	30.6
109.02869	7.9
109.06503	8.3
109.10160	27.3
111.04468	10.3
111.08079	5.1
117.07032	19.6
119.08584	33.3
121.06497	3.8
121.10159	23.1
123.08075	5.6
123.11735	4.7
127.03893	4.8
128.06244	4.7
129.06990	14.7
131.04892	2.4
131.08592	23.0
133.06505	4.9
133.08630	2.1
133.10138	24.8
135.08051	2.8
135.11729	14.7
137.09605	3.6
141.06958	4.8
143.08583	11.4
145.06532	1.9
145.10127	20.8
147.08049	7.1
147.11684	13.4
149.09624	5.7
149.13245	11.8
155.08528	5.9
155.75203	2.0
157.06474	2.2
157.10069	9.6
159.11688	16.7
160.45290	2.0
161.09601	3.1
161.13234	16.2
163.11176	6.5
163.14835	3.0
169.10121	5.5
171.08084	2.1
171.11688	8.5
173.13251	9.5
175.11206	5.5
175.14868	2.8
179.14322	5.5
183.11716	4.0
185.09641	2.7
185.13229	5.2
187.11243	4.8
187.14738	4.2
195.11766	4.4
197.13202	5.0
197.15393	6.4
199.14857	3.7
201.12653	2.3
203.14366	2.3
205.15935	3.1
209.13315	2.7
211.14799	2.4
215.16360	2.7
227.14336	2.8
229.19821	2.5
231.15901	2.5
261.21921	3.1
269.17377	3.5
271.18970	23.6
273.22220	3.3
277.21594	5.7
283.20523	3.0
289.21439	2.6
301.21622	11.1
303.23337	4.0
315.23236	2.9
319.22586	4.6
327.23257	2.7
341.19528	4.5
345.24118	2.2
351.23029	6.2
353.24893	2.4
357.24075	2.1
369.24225	11.7
371.25974	3.6
387.25479	10.0
397.22180	4.1
405.26358	2.8
443.27826	5.1
461.29086	10.9
639.42816	5.2
656.44263	2.5
657.44049	9.9
675.44476	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	677.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
55.90819	0.3
64.39970	0.3
67.05514	0.8
69.82590	1.7
75.31248	0.3
79.05500	0.4
81.07047	0.8
92.92864	0.3
95.08617	0.5
112.30605	0.3
117.07016	0.5
119.08595	0.4
121.10158	0.5
130.81149	0.3
131.08548	0.3
136.35295	0.3
141.21217	0.3
145.10089	0.4
157.10173	0.5
173.03134	0.4
175.14793	0.3
182.07103	0.3
210.55791	0.3
256.26401	0.5
316.51251	0.4
347.09549	1.1
515.31958	20.4
516.32642	0.6
677.37207	100.0
678.37366	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.4
55.05521	16.6
57.03440	8.5
57.07074	5.1
61.02929	18.3
65.03934	2.3
67.05508	92.3
69.03434	3.3
69.07066	10.3
69.30529	5.0
69.30942	13.7
73.02920	8.6
75.04478	2.9
79.05497	52.5
79.05962	2.7
81.03456	2.5
81.07057	100.0
83.08625	11.5
85.02914	22.4
85.06526	2.4
87.74633	2.3
91.03973	18.7
91.05481	28.9
93.07049	63.1
95.04958	2.8
95.08611	81.3
97.02901	12.1
97.06539	3.3
97.10177	2.4
99.08101	2.6
105.07043	19.3
107.08601	43.3
109.10159	40.1
117.07014	10.5
119.08585	17.8
121.10145	41.8
123.08065	3.1
123.11712	19.5
125.09584	2.2
127.03926	9.0
131.08571	19.0
133.10115	12.6
135.11699	29.3
137.13235	5.2
145.04953	7.3
145.10155	15.9
145.70509	2.3
147.11714	13.2
149.13264	22.2
151.11263	3.5
159.11661	15.5
161.13239	14.1
163.06047	11.0
163.14818	14.1
173.13290	13.8
175.14819	3.3
177.12787	4.4
177.16382	5.4
179.14302	3.8
187.14862	11.3
201.16435	3.3
231.38968	2.1
233.22641	2.8
243.21107	32.3
261.22177	93.2
269.35754	2.2
279.23129	4.5
335.25793	33.1
353.26910	27.0
497.31296	5.9
677.34918	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	677.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05510	1.6
57.03429	2.2
61.02934	6.1
64.37321	0.5
67.05510	5.6
69.03429	2.7
69.07069	0.9
69.16208	1.4
69.16612	4.0
71.05004	0.8
73.02913	4.5
77.59784	0.5
79.05497	4.1
79.44071	0.5
81.03414	2.3
81.07061	4.4
81.57458	0.5
83.04965	0.6
85.02917	5.8
91.03967	3.5
91.05473	2.2
93.07063	3.9
95.08612	10.5
97.02905	4.9
98.21488	1.0
99.04466	1.2
101.02394	1.5
105.07038	1.0
107.08603	1.9
109.02905	1.1
109.10178	1.8
111.04462	0.5
119.08600	1.3
121.10145	2.2
123.08093	0.5
123.11697	0.5
127.03938	1.7
131.08569	1.0
135.11729	0.5
135.28204	0.6
141.09096	0.7
145.10085	0.5
149.06078	0.9
159.10199	0.6
167.29530	0.6
184.07361	0.8
243.08487	1.3
289.17786	0.6
292.64832	0.5
335.25943	0.8
399.16284	3.5
519.29340	8.1
544.36023	0.5
659.43372	0.6
677.38715	100.0
678.38910	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	677.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05510	0.9
57.03431	2.0
61.02937	5.8
67.05508	5.3
69.03434	3.8
69.07064	1.5
69.39906	3.7
71.01343	0.5
71.04983	1.0
73.02914	4.0
76.18140	0.4
79.05495	2.9
81.03410	1.4
81.07061	4.8
83.04971	0.8
83.08653	0.5
85.02914	5.2
91.03972	3.3
91.05482	1.8
93.07047	3.6
95.04969	0.6
95.08614	9.2
97.02895	4.5
97.06547	0.4
99.04435	1.4
101.02386	1.6
105.07080	1.1
107.05004	0.4
107.08608	1.4
109.02866	0.9
109.10165	1.1
121.10136	1.1
127.03987	0.9
131.08536	0.7
133.10133	0.9
135.11702	0.9
147.11707	0.6
181.08385	0.7
184.07378	1.0
185.04314	0.6
243.08478	1.9
335.26065	0.7
399.16348	4.0
519.29327	9.1
677.38721	100.0
678.38977	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	678.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
58.89758	0.4
61.02928	0.5
65.37194	0.4
70.95199	0.7
70.95535	0.7
74.48338	0.4
79.05486	1.2
81.03419	16.6
85.02921	0.5
95.04977	1.4
97.02895	8.9
105.04556	0.5
107.04955	62.5
108.05307	0.6
109.02879	100.0
110.03237	1.0
121.43359	0.4
122.79819	0.4
127.03918	28.1
139.03908	5.2
157.66197	0.4
166.39311	0.5
169.04959	43.0
170.05280	0.6
211.05972	4.3
249.12718	0.4
271.08060	2.1
331.10272	4.0
352.49274	0.4
537.15509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03946	2.9
57.45742	0.4
61.02927	0.8
63.90049	0.4
67.05499	0.8
70.79872	0.5
70.80202	0.8
71.19549	0.3
79.05506	1.5
81.03417	15.6
81.07047	1.0
84.95976	0.4
85.02911	1.2
87.00806	0.4
88.20119	0.4
91.05465	0.8
91.49145	0.4
93.07088	0.7
95.04959	0.8
96.96119	0.3
97.02892	8.6
99.04456	0.8
105.04516	0.7
107.04956	48.9
108.05309	1.5
109.02879	100.0
110.03187	0.9
117.06996	0.4
123.34143	0.3
127.03918	28.1
128.04227	0.5
131.96841	0.3
133.10075	0.3
137.06004	1.8
138.06291	0.8
139.03905	5.0
150.90640	0.4
161.05966	1.0
169.04962	40.3
199.07550	0.6
205.32449	0.4
211.06017	3.7
231.08057	0.4
269.17398	0.5
271.08154	1.8
292.10333	0.6
324.12943	0.4
331.10254	3.2
370.10956	0.4
430.17203	0.6
437.28836	1.1
437.42551	0.4
439.57416	0.4
463.17288	0.4
463.30472	0.7
537.16431	0.6
622.55652	0.4
633.21387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.4
53.03950	3.0
55.01862	0.3
69.03408	0.4
71.28561	0.5
79.05486	1.1
81.03425	15.7
85.02906	0.9
91.05483	0.8
95.04996	1.4
97.02905	9.5
99.04463	1.1
103.05482	0.3
105.04517	0.4
107.04965	64.4
108.05290	1.3
109.02889	100.0
110.03220	0.9
117.07047	0.4
119.04903	0.4
127.03929	28.6
128.04250	0.4
137.05994	2.0
138.06332	0.7
139.03914	5.1
143.05023	0.3
145.04880	0.3
153.09828	0.3
161.05960	1.0
165.05521	0.3
169.04980	38.1
170.05276	0.5
199.07648	0.5
211.06001	4.0
260.52921	0.4
269.08099	0.3
270.00958	0.3
271.08057	1.5
291.10083	0.7
292.10498	0.4
320.03763	0.3
322.91257	0.3
323.12653	0.5
331.10278	3.8
336.13452	0.4
388.31079	0.4
414.23938	0.3
430.17502	0.6
435.31842	0.3
491.16406	0.4
537.16217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03437	0.8
57.91012	0.6
69.03416	1.0
69.39833	5.7
70.06590	2.5
71.05009	5.0
72.47208	0.7
75.04444	0.8
78.04714	1.9
79.05508	7.5
81.03419	2.1
81.07038	0.8
82.90137	0.6
83.04977	1.1
84.08124	0.9
85.02914	7.8
85.78693	0.6
85.89095	0.6
86.09716	1.0
88.86237	0.6
91.05479	3.0
93.03390	0.6
95.04976	2.3
97.02899	2.2
99.04491	0.9
103.05509	3.5
105.07056	7.1
106.04176	1.9
107.04298	1.1
107.04971	12.9
109.02885	3.4
115.05445	4.2
117.07063	1.3
118.04168	1.4
119.04962	0.7
119.08589	1.7
121.02848	0.8
121.06503	1.7
123.04420	5.3
124.05225	3.7
125.05976	1.0
127.03898	2.2
128.06238	1.9
129.05484	1.1
129.07008	6.5
131.04945	3.9
132.05762	3.4
133.06514	6.0
134.03621	0.7
137.05949	2.2
141.06964	0.9
142.85294	0.7
144.05717	1.9
145.06509	2.1
147.04387	1.2
147.08058	2.8
149.05994	2.1
151.03964	0.9
152.04707	2.4
153.05501	3.1
155.07066	1.1
156.05621	1.1
157.06471	0.7
159.08080	6.2
160.05244	1.8
161.06009	10.1
167.07057	100.0
168.07404	1.1
169.06519	0.9
171.08028	1.4
172.05226	2.3
173.05977	0.9
175.07564	24.1
176.04733	0.9
177.05527	1.9
178.07819	0.9
181.06528	1.1
187.06036	1.3
187.07553	20.6
189.07057	1.5
189.09119	2.0
190.07828	1.4
191.07053	8.9
191.08574	1.3
199.07558	9.0
202.07762	1.6
203.08577	2.9
206.07263	2.3
209.08133	2.5
209.15494	0.7
215.08574	1.4
217.06583	0.9
217.08632	1.7
218.07280	2.5
219.08075	2.7
220.08826	1.3
221.09650	3.0
223.07568	0.9
231.08105	2.7
232.08835	1.7
233.09584	4.1
234.06795	2.1
235.07610	3.0
238.92563	0.7
246.06798	1.8
247.07562	1.5
248.08118	1.0
249.09134	3.5
250.09938	1.6
251.07082	2.0
259.07642	1.5
260.08310	1.4
261.09076	4.1
263.07092	1.9
266.09265	1.4
274.06210	1.3
275.07089	1.1
277.08664	2.7
278.09396	2.7
279.06662	0.8
279.10281	0.8
281.11725	6.0
287.05432	1.5
289.08685	4.1
290.09314	0.8
291.10312	2.0
293.11725	3.1
294.08887	1.1
306.08752	1.7
309.11264	6.3
311.09201	0.7
321.11224	9.0
322.12103	1.9
325.14264	1.1
326.11423	2.2
341.13879	22.6
353.09793	1.0
353.13873	11.4
442.76056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.05513	20.8
57.03425	8.4
57.07057	7.9
61.02929	14.9
65.03928	3.3
65.07980	1.7
67.05507	84.7
69.03429	2.6
69.07071	29.6
70.78187	2.0
71.04997	2.4
71.08614	6.1
71.11987	4.1
73.02907	6.8
73.51739	1.9
79.05495	23.7
81.03419	2.1
81.07059	100.0
83.04959	2.4
83.07357	1.7
83.08620	15.8
85.02531	1.8
85.02908	21.7
85.06528	2.2
85.10174	2.2
87.38524	1.8
91.03976	15.7
91.05479	22.0
93.07043	25.4
95.08612	84.7
97.02913	9.4
97.06523	8.7
97.10175	15.2
99.08115	3.5
105.07033	11.5
107.08595	16.3
109.06469	2.7
109.10165	43.9
111.08079	5.2
111.11723	6.1
113.09678	3.4
119.08576	17.6
121.10146	22.7
123.08159	2.2
123.11723	24.6
125.09611	2.3
125.13169	2.0
127.02930	2.0
127.03896	7.5
127.11239	2.9
130.28502	2.1
133.10147	14.8
135.11703	13.8
137.09653	2.6
137.13254	9.9
141.12706	5.3
145.04950	8.4
147.11678	10.4
149.13258	12.9
150.04321	1.9
151.11220	2.7
151.14799	8.1
155.14301	6.1
161.13258	14.3
163.06006	10.9
163.14839	14.2
164.66681	2.2
165.16368	9.2
175.14839	10.1
177.16376	3.0
179.17932	6.4
189.16376	7.9
228.79446	2.3
245.22673	65.0
256.86072	2.0
261.31702	2.2
263.23718	91.0
281.24866	2.3
337.27365	69.2
338.27927	2.6
355.28317	6.3
499.32532	5.9
520.82684	2.2
565.22754	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05364	0.4
53.03938	0.8
55.01878	0.7
55.05512	3.6
57.03433	1.9
57.07046	0.5
61.02927	4.9
67.05506	4.8
69.03436	3.2
69.07068	1.3
69.36192	4.0
71.01340	0.5
71.04996	0.5
73.02927	5.5
78.34100	0.6
79.05500	5.0
81.03419	1.7
81.07063	4.9
83.08646	1.2
85.02914	5.7
87.04472	0.6
91.03967	4.8
91.05473	1.9
93.07051	3.2
95.08614	3.5
97.02902	4.4
97.06542	0.8
97.10184	2.4
99.04469	0.8
101.02376	1.8
103.03955	0.5
105.07035	2.2
107.08600	2.8
107.46545	0.4
109.02900	1.1
109.10145	1.9
114.55637	0.5
119.08634	0.9
121.10139	2.1
125.09660	1.5
127.03897	1.2
131.08591	0.5
133.10136	0.6
135.11714	1.0
147.11678	0.7
156.04483	0.5
203.05325	0.6
238.73299	0.5
243.08524	1.4
335.25681	1.0
390.69238	0.6
401.17975	5.2
467.85852	0.5
519.29315	9.3
679.40161	100.0
680.40503	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01863	0.5
55.05498	1.9
65.03928	0.8
66.04705	0.9
69.03436	1.1
70.06590	1.6
71.50890	0.5
72.08138	0.7
79.05481	1.4
81.03417	1.9
81.07066	1.3
83.08623	1.6
84.08144	1.2
85.02901	1.4
86.09702	0.9
89.03890	0.7
91.05489	2.4
94.04200	4.9
95.04956	0.5
95.08615	0.6
97.02906	1.3
100.07665	0.6
100.11264	6.5
103.05462	3.3
105.07038	4.9
107.04966	1.5
109.02885	1.7
109.06540	1.9
111.04431	1.3
115.05458	2.7
116.61079	0.4
117.03378	0.6
118.04152	0.5
122.03651	8.3
127.03926	1.9
128.06235	1.4
128.07098	0.7
131.04947	4.2
131.08636	0.6
133.06479	3.2
137.05986	100.0
138.06351	1.3
139.43919	0.5
141.06996	1.3
143.06017	0.5
143.08464	0.4
145.04942	0.6
145.06480	0.5
146.03671	2.2
147.04420	1.0
147.08038	0.5
149.06052	1.2
151.03929	0.5
152.27946	0.4
156.05704	0.8
159.08086	1.1
161.05991	27.3
163.07576	4.6
163.64668	0.4
167.07085	0.8
168.05740	1.0
171.08119	1.2
175.07571	1.5
177.05470	1.4
178.35814	0.4
179.08606	0.4
182.15387	2.5
184.05237	2.1
185.06027	0.5
187.07552	2.5
191.08594	1.7
192.09320	1.0
199.07544	13.7
202.07782	6.3
203.06706	0.8
203.08572	11.8
204.09293	0.7
205.06720	1.0
209.16486	1.2
210.14917	2.7
211.77739	0.5
215.06874	0.5
215.08679	1.0
215.88168	0.5
219.08092	3.5
220.08815	3.3
221.09579	0.8
222.06750	0.6
230.07303	1.9
231.08061	20.1
232.08839	3.9
233.06093	0.6
235.11269	1.0
237.09177	1.0
241.08690	0.5
243.07993	0.5
245.09669	0.5
247.07611	3.2
248.08359	9.9
249.09131	1.6
258.06863	1.1
259.07568	14.5
259.10339	0.7
260.08365	6.5
261.09128	1.1
262.09964	1.2
263.10687	8.7
265.08685	2.6
273.09076	0.9
275.07037	1.8
276.07813	7.7
277.08621	3.3
279.10220	0.9
287.05673	0.9
289.08691	0.9
290.09305	0.6
291.10168	44.8
292.10757	3.5
293.08170	2.2
293.11423	0.6
295.09650	1.4
295.13223	1.7
297.11166	0.9
307.09549	0.8
308.10382	3.1
315.10205	0.7
317.12125	0.6
321.11166	1.3
322.12048	0.9
323.12796	40.1
324.13229	0.8
330.87305	0.5
333.11261	0.8
335.12741	1.4
337.10580	0.6
337.14304	0.6
347.12854	1.1
365.13879	0.8
377.13773	0.6
431.14886	0.7
501.18936	0.8
509.19214	0.7
535.16064	0.6
571.18176	0.8
608.19745	0.9
610.21954	0.9
611.22815	1.5
621.20764	0.8
662.48163	0.8
663.25647	1.1
680.49731	6.3
681.26678	0.8
681.50134	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	681.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
53.50029	0.9
55.01865	1.5
55.05519	1.5
58.90820	0.6
69.03432	1.7
70.06590	2.3
71.50955	0.9
72.08142	1.0
79.05488	1.5
81.03436	1.3
83.08611	0.8
84.08149	1.0
85.02908	3.7
86.09693	1.6
87.00855	1.0
89.03914	0.9
91.05476	3.3
93.08985	1.0
94.04199	4.6
95.04944	1.3
97.02880	2.2
98.21024	0.8
100.11270	4.4
100.52311	0.8
100.70882	0.7
103.05484	2.0
105.07069	6.9
107.04951	2.3
109.02885	3.7
109.06532	2.2
111.04461	0.8
115.05446	2.8
117.03400	1.6
119.04973	1.4
120.08092	1.7
122.03674	9.4
127.03929	3.2
128.06241	1.5
129.06952	1.0
129.10245	1.4
131.04938	2.0
133.06473	3.9
137.05992	100.0
138.06346	2.3
145.02867	2.3
146.03510	2.4
147.04445	1.9
149.06003	1.2
151.03949	2.4
161.06000	30.0
162.06514	1.0
163.07542	2.5
167.07066	2.6
171.08075	1.0
175.03868	1.4
175.07600	1.7
177.05510	6.1
178.05806	1.0
179.08629	1.3
182.15343	1.0
184.05205	1.4
187.07526	2.5
199.07585	13.2
202.07803	7.0
203.06960	1.1
203.08597	11.6
205.06483	1.0
207.06499	0.9
209.16544	1.4
210.14919	1.8
218.07341	1.0
219.08116	4.7
220.08957	3.8
230.07167	1.7
231.08058	18.2
231.10233	1.6
232.08795	3.6
233.09500	1.6
235.11198	1.0
237.09167	1.4
245.09631	1.4
247.07590	3.2
248.08386	8.0
249.08922	1.6
258.06854	1.5
259.07587	13.9
260.08316	9.1
261.09109	1.1
262.09854	1.6
263.10727	9.1
265.08600	2.0
273.09204	1.0
274.06107	0.9
275.07037	2.4
276.07819	8.4
277.08545	2.9
279.10416	0.9
280.10684	1.1
284.95480	1.0
287.05569	2.5
291.10168	45.8
292.10803	3.2
293.08197	2.5
295.09686	1.9
295.13156	1.4
307.09491	1.3
308.10309	5.0
321.11090	1.7
323.12805	41.1
324.13086	1.4
333.11182	1.0
335.12949	1.3
347.12579	1.1
353.13684	1.3
357.13217	1.1
469.70068	1.2
510.88232	0.9
513.22131	0.8
662.50037	1.4
680.51392	4.6
681.51501	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89892	0.2
55.01876	0.3
55.05525	1.1
56.05039	2.8
57.03434	0.8
57.07082	0.3
61.02943	0.3
62.13141	0.2
67.05515	1.1
69.03422	1.2
69.07069	1.0
70.06589	1.4
71.05002	2.5
71.50964	0.2
71.51364	0.3
72.08166	0.4
73.02922	0.6
79.05501	0.7
80.60849	0.2
81.03427	1.2
81.07072	0.4
82.06577	0.8
83.04991	0.7
83.08632	0.5
84.08149	100.0
85.02909	5.2
85.03359	0.1
85.08479	0.7
86.09725	1.2
91.05488	0.7
93.07040	0.6
94.06530	0.2
95.04977	1.3
95.08602	0.2
97.02933	1.0
97.06535	0.3
97.10202	0.3
98.09641	0.2
99.04493	0.4
103.05511	0.2
105.07046	0.5
107.04967	0.5
107.08613	0.4
109.02856	1.0
109.06564	0.3
110.06048	0.3
110.07190	0.4
111.04444	0.5
112.07620	0.7
119.04949	0.2
119.08583	0.3
120.08117	0.5
121.06551	0.3
121.10169	0.3
122.03661	0.4
125.06050	0.3
127.03912	1.2
128.06221	0.4
128.07083	2.4
128.10696	0.3
129.05484	0.7
129.10237	1.8
130.08653	7.8
131.04932	0.3
133.10141	0.2
135.11719	0.2
137.05997	5.2
143.54529	0.2
145.02953	0.3
145.04971	0.3
145.10223	0.2
147.04471	0.4
147.11285	3.1
149.05988	0.4
151.03922	0.6
151.07498	0.2
157.06615	0.2
161.06000	0.7
163.03911	0.4
163.07582	0.8
167.07088	0.3
172.05275	0.2
175.07581	1.0
176.10687	0.5
177.05504	0.5
178.12282	2.7
187.07597	0.9
199.07603	0.6
207.06448	0.2
209.06049	0.2
253.08698	0.2
265.08527	0.3
277.08694	0.2
285.11383	0.3
287.05560	0.9
291.10226	0.4
292.26505	0.4
297.11331	0.6
304.65109	0.2
309.11163	0.4
310.27393	7.0
321.11035	0.3
323.12726	0.5
335.12787	0.6
355.29730	0.3
373.30634	42.6
374.31070	1.3
415.31668	0.8
419.32797	0.3
421.34335	2.5
439.15158	0.3
439.31580	1.6
451.31332	0.3
459.18405	0.3
465.33319	3.2
471.17993	0.6
481.32816	0.4
483.34149	0.7
499.33881	0.2
501.35114	0.2
517.34790	0.2
535.35980	5.1
681.26282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
54.91276	0.8
69.26977	7.0
70.03754	0.7
70.06593	0.8
81.03421	12.8
85.02892	1.1
87.85867	0.7
91.05493	1.5
97.02897	6.1
98.21542	1.5
98.36089	0.9
99.04457	1.3
107.04951	10.8
109.02884	39.1
125.02156	1.6
127.03922	14.9
132.52907	0.7
139.03937	1.1
169.04971	9.8
171.04372	0.9
191.03232	2.7
209.04164	1.5
211.06071	1.1
233.04308	2.1
247.05789	12.7
251.00934	0.7
251.05263	11.6
263.18204	0.8
293.06299	8.3
311.07391	8.8
353.08435	40.3
371.09512	35.7
371.14215	1.8
383.15048	0.7
517.13208	1.4
577.15308	100.0
578.15601	3.5
683.19324	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	683.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.9
58.37185	0.7
64.07159	0.8
67.05477	0.7
79.05511	1.0
81.03426	12.4
91.05491	1.1
97.02895	7.0
99.04472	0.8
107.04960	13.6
109.02892	39.3
125.02122	1.7
127.03932	16.9
131.04994	0.7
139.03938	1.9
149.02229	0.7
161.05997	1.2
169.04988	9.2
169.06363	0.9
191.03128	3.9
209.04216	2.0
211.05988	1.8
233.04247	2.1
247.05791	12.0
251.05281	13.3
293.06360	8.5
311.07428	8.9
353.08472	40.6
371.09494	33.7
371.14258	1.2
517.13293	1.1
577.15326	100.0
578.15704	2.5
683.19702	3.9
683.36090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01868	5.1
55.05508	3.9
56.05033	2.2
57.03442	12.4
61.02934	3.5
64.33690	1.7
67.05494	2.5
68.99783	3.3
69.03434	27.3
69.73919	6.1
69.74354	5.7
70.06592	11.3
71.05000	45.7
72.08147	2.1
73.02911	5.2
75.04467	2.8
79.01122	1.7
79.05487	2.6
81.03419	21.8
81.07041	4.9
83.04977	14.0
84.08145	3.9
85.02911	100.0
86.09714	4.3
87.00833	17.8
91.05464	4.7
95.04949	4.7
95.08638	2.7
97.02896	15.9
99.04446	13.4
103.03955	2.9
103.05441	2.4
105.01880	18.8
107.04948	7.9
107.08617	3.1
107.20811	1.8
109.02887	24.5
111.04459	13.5
113.06022	2.2
119.04945	3.6
119.08552	2.3
121.06499	3.2
123.04447	4.3
125.05981	1.9
127.03004	2.1
127.03931	41.9
129.01816	5.2
129.05495	17.0
131.04895	2.3
137.05995	8.7
138.06262	2.9
145.04936	7.8
147.02837	3.8
147.04399	7.1
147.06505	7.1
151.03856	4.1
153.01839	2.3
159.02872	4.6
160.72702	2.0
161.05934	3.8
163.07494	2.3
165.05492	2.0
167.05696	2.7
167.07024	4.6
167.08516	1.7
168.30109	2.0
171.02910	2.4
173.04475	2.5
177.05475	3.2
181.05005	2.7
185.08028	1.8
189.03986	5.7
195.08109	3.3
197.05925	3.6
211.07588	2.9
212.08218	3.1
213.03976	6.7
218.09122	1.9
224.08354	3.1
226.09856	2.5
227.06929	2.3
227.10692	5.8
231.05049	10.0
237.07559	6.6
238.09991	3.5
239.07091	4.1
240.07562	5.1
241.08531	5.1
242.09413	8.0
249.05991	2.2
253.08780	3.1
255.10350	14.9
257.11771	3.7
258.08737	4.1
265.08777	2.5
266.09415	4.6
271.09714	4.2
272.10440	20.2
273.06500	2.9
273.11182	70.2
274.11032	8.2
281.11819	5.2
284.10434	6.8
285.11182	5.9
293.11765	3.2
297.11172	18.7
315.12366	10.2
323.12811	3.2
334.20831	2.2
339.12350	15.9
341.08835	3.5
359.09515	3.7
363.12198	2.4
365.13919	9.8
378.14880	2.2
381.13507	4.8
401.15631	2.4
485.14261	4.4
626.80902	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
53.03935	0.8
55.01868	1.1
55.05510	0.7
57.03183	0.4
57.03437	3.9
57.52604	0.3
61.02934	0.4
65.03939	0.4
69.03442	1.8
70.06596	0.8
71.01347	0.5
71.04998	19.9
71.51290	0.5
73.02914	1.4
75.04488	2.1
79.05511	1.4
81.03421	0.8
81.07047	0.6
82.92795	0.3
83.04981	2.1
84.08156	0.4
85.02911	31.1
86.09713	0.3
87.04474	1.0
91.05483	3.9
93.07049	1.3
94.04192	2.2
95.04967	0.8
95.77962	0.3
97.02909	2.6
99.04466	0.9
103.03979	0.3
103.05482	2.6
104.06183	0.3
105.03362	0.3
105.07043	4.7
107.04953	1.1
109.02882	0.6
109.06520	1.5
111.04426	1.6
112.93168	0.3
115.05455	2.2
117.07028	2.8
119.04942	1.1
119.08572	1.8
121.06526	2.2
122.03658	5.1
127.03941	1.0
128.06233	0.8
129.05487	9.1
129.06914	1.5
130.04198	0.5
131.04961	2.1
131.05891	0.4
132.05716	1.0
133.06490	4.2
135.04361	0.4
137.05986	100.0
138.06332	1.0
141.06871	0.4
143.04962	0.6
143.06000	0.4
144.05626	0.4
145.05006	1.0
145.06483	3.4
146.03668	0.5
146.08112	0.7
147.04427	2.0
147.06523	3.8
147.08044	2.6
149.05997	5.5
151.03931	0.5
151.07559	1.1
155.04935	0.7
155.06042	0.4
155.29030	0.3
156.05659	0.5
157.06456	0.4
159.08087	2.1
160.05217	1.2
161.05994	16.5
162.06718	2.5
163.06311	0.3
163.07536	2.0
164.09219	1.8
165.07021	0.4
172.05237	0.8
173.05977	1.1
175.07556	28.2
177.05487	0.6
177.09102	0.9
179.07027	1.2
179.08521	0.6
180.08647	0.7
185.05971	0.6
187.07549	7.2
189.07008	0.3
189.09172	0.4
190.07834	1.1
191.08583	4.4
193.06772	0.4
193.08611	7.0
193.10275	0.5
199.07523	2.9
202.07777	0.6
203.08601	1.2
205.06682	0.4
205.08615	4.6
207.08118	0.7
208.08920	0.7
217.08591	1.2
218.07286	1.1
219.08081	6.8
220.08818	1.1
221.05902	0.5
225.09044	0.4
231.08080	2.2
232.08824	0.8
233.09743	0.3
235.07520	1.1
235.09630	0.5
236.08398	1.5
237.09088	0.5
247.07529	3.1
248.08377	1.3
249.05263	0.4
249.09053	0.6
251.10703	10.5
252.11125	0.3
253.08611	1.0
259.07642	1.7
260.08350	1.1
261.09164	0.7
263.07178	0.4
263.10754	1.2
264.07837	1.3
265.08621	1.0
267.10040	0.4
269.11826	0.5
275.07455	0.4
276.07736	0.7
277.08542	0.7
279.10181	8.8
280.10806	0.8
281.08047	0.8
283.09610	0.4
291.10168	3.3
292.10953	0.7
295.13226	0.4
296.10541	1.0
297.11182	0.5
309.11206	1.2
311.12793	23.8
312.13080	0.5
323.12796	7.0
326.14502	0.5
329.13837	4.2
341.13846	8.3
341.18021	0.4
359.15076	0.5
365.13846	0.3
406.64645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	28.6
57.03434	8.6
57.07075	13.2
61.02937	21.7
67.05508	31.0
69.03432	4.3
69.06733	3.2
69.07075	40.6
71.08637	11.6
71.51226	3.8
73.02915	7.1
73.04755	2.4
79.05502	20.3
81.07064	55.0
82.29917	1.9
83.08624	35.0
85.02908	28.2
85.06531	4.2
85.10170	5.1
91.03962	19.4
91.05482	2.3
93.07049	21.7
95.08062	3.3
95.08620	42.5
97.02897	15.0
97.06538	8.1
97.10181	23.9
99.04435	2.5
107.04930	2.4
107.08618	20.7
109.10142	19.7
111.08090	4.6
111.11720	6.8
119.08617	2.2
121.10166	41.5
123.11721	7.9
127.03946	8.9
135.11707	32.3
137.13240	7.1
143.10658	2.4
145.04988	14.7
148.67157	2.3
149.13304	11.6
151.14822	7.8
155.46841	2.1
163.06050	20.6
163.14786	5.2
166.23019	1.9
177.16429	5.8
233.22684	36.7
251.23738	100.0
252.24120	2.5
269.24774	21.1
325.27423	96.2
343.28467	48.0
348.50436	2.2
487.32315	6.7
527.73462	2.2
644.54297	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01869	1.1
55.05267	1.2
55.05510	11.6
57.03197	0.9
57.03440	12.4
57.07076	1.2
59.05011	3.8
61.02932	4.2
65.03931	2.8
66.94357	0.7
67.05508	100.0
69.03423	1.1
69.07067	9.2
70.20780	3.1
71.04982	3.2
73.02904	1.3
79.05070	1.4
79.05495	21.1
81.03416	1.2
81.07060	37.1
83.04964	1.1
83.08622	8.1
84.32885	0.8
85.02908	4.6
85.06544	3.0
91.05485	15.2
92.52211	0.9
93.07047	28.5
95.04963	1.0
95.08611	27.2
97.02873	2.6
97.06518	1.1
97.10148	1.9
99.08089	1.4
105.07063	6.7
107.08595	14.1
109.06518	1.2
109.10161	75.3
111.08057	3.1
117.07006	2.8
119.08584	11.3
121.10150	11.0
123.11684	2.9
125.09623	1.0
131.08591	5.5
133.10133	5.5
135.11670	7.3
137.09613	2.4
137.13278	1.3
145.10199	3.9
147.11703	2.8
149.13289	5.3
151.50182	0.8
155.10692	10.2
159.11702	4.6
161.13268	2.5
163.14787	3.0
173.11731	13.9
173.13266	3.3
175.14774	1.4
187.14812	1.1
206.82518	0.8
215.17888	0.9
227.12733	2.4
229.14363	90.9
230.14658	1.3
243.21089	4.6
261.22134	17.0
317.24701	3.1
335.25806	80.6
336.26038	1.7
340.95392	1.0
397.30972	1.2
471.34393	1.6
489.35757	63.6
490.36063	2.4
507.36765	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	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36735	0.8
53.03941	2.5
55.01863	1.0
55.05516	12.2
57.03445	13.0
57.07086	1.8
59.05008	4.3
61.02941	4.1
61.03186	0.9
61.81885	0.8
65.03936	3.4
67.05511	98.8
69.03432	1.7
69.07079	8.3
70.96455	2.0
71.04990	2.4
73.02896	1.0
79.05067	1.6
79.05501	20.4
81.07063	34.8
83.08620	8.0
85.02907	4.0
85.06533	3.2
91.03980	2.1
91.05479	12.1
93.07053	22.7
95.04967	1.5
95.08615	26.7
97.02891	2.0
97.06567	1.6
97.10155	2.1
97.80888	0.9
99.08149	0.9
103.21600	1.1
105.07056	7.1
107.08613	10.7
109.10168	71.6
111.08099	3.9
117.07040	3.1
119.08585	11.0
121.10149	11.4
121.10939	1.2
123.11708	4.0
125.09644	2.5
131.08571	4.3
133.10124	3.5
135.11684	5.7
137.09604	3.8
137.13181	0.9
145.10107	4.9
147.11693	3.3
149.13310	5.5
152.93321	0.9
155.10672	12.2
159.11726	2.7
161.13251	2.9
161.17397	0.9
163.14822	3.6
167.05461	1.0
173.11772	17.5
173.13266	2.9
187.14862	1.7
189.11311	1.1
215.18015	1.4
227.12758	5.3
229.14377	100.0
230.14856	1.4
243.21097	4.3
261.22211	14.3
317.24860	2.3
335.25836	68.1
336.26245	1.3
337.02603	1.0
415.32199	1.1
471.34634	1.4
489.35840	37.5
490.36035	1.5
507.36548	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05513	6.0
56.05035	3.7
57.03426	0.8
57.07069	4.5
58.06591	0.7
60.04514	2.3
60.66409	0.5
65.03927	0.6
67.05505	13.1
68.05003	0.7
69.03418	1.4
69.07067	7.2
69.92976	2.6
70.06570	1.7
71.08614	1.4
72.04492	0.6
79.05067	0.8
79.05495	10.0
80.05026	2.8
81.03413	0.5
81.05790	1.8
81.06591	0.8
81.07059	11.4
81.44206	0.6
82.06585	7.4
83.08627	4.5
85.02905	1.9
91.05472	9.6
93.06487	0.8
93.07045	9.7
94.06570	19.2
95.04934	1.2
95.06760	0.6
95.07348	9.3
95.08610	9.3
96.08143	5.2
97.02906	1.3
97.06517	0.6
97.10174	2.7
98.21516	0.8
105.07034	5.9
107.08601	5.9
108.08106	2.9
109.10157	3.9
109.21241	0.4
110.09707	0.7
111.08028	0.5
111.11722	0.9
117.06959	0.5
119.08581	5.5
121.08843	0.9
121.10143	6.5
122.09698	2.8
123.11684	2.1
133.10147	4.2
135.10358	0.5
135.11681	3.5
136.11137	1.1
137.05951	0.8
137.13176	0.7
146.59734	0.6
147.11725	1.4
149.13251	1.1
161.13251	1.3
163.14641	0.7
165.16455	0.9
175.14885	1.0
191.18018	0.6
205.19583	3.3
205.21207	0.5
217.19514	4.7
219.21143	0.7
222.22157	7.5
234.22169	100.0
235.20447	1.0
235.22556	1.2
236.23657	1.3
248.23752	8.0
252.23244	6.9
254.24838	0.7
262.25244	2.3
266.24677	0.8
272.25861	5.5
476.44565	5.6
488.44638	25.5
489.45251	0.9
490.46252	4.9
493.62985	0.6
506.45773	14.7
589.45331	0.6
668.51050	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	686.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.5
57.07078	30.5
59.04999	1.2
60.84998	0.8
67.05498	3.3
69.07069	4.9
69.37086	3.5
69.37508	2.9
71.08635	26.6
73.04750	1.0
73.06562	8.7
81.07041	2.2
83.04973	1.0
83.08620	4.1
85.10187	16.6
87.04475	8.0
89.06033	100.0
91.07580	0.9
93.07045	1.5
95.08607	1.6
97.10172	6.4
99.11736	3.1
103.00999	0.8
105.21835	0.8
107.04965	3.1
107.07043	0.9
109.10181	1.2
111.11700	3.3
113.13324	1.2
117.09131	7.8
125.13209	1.2
127.14824	1.1
130.08655	2.3
131.07051	2.7
133.08607	52.8
141.16335	1.2
161.11697	1.2
163.11130	1.0
175.09628	1.5
177.11241	18.3
187.34436	0.8
198.08678	1.0
211.24263	1.8
221.13885	3.7
255.26942	1.6
279.12317	2.0
283.17267	0.9
299.29462	5.1
343.32050	2.2
445.18597	4.3
459.27942	2.4
655.27802	1.1
669.51154	3.3
686.54053	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	688.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.8
55.64538	1.3
57.03432	14.6
57.07076	4.8
59.04993	3.1
61.02918	3.8
65.03938	1.7
66.98206	1.4
67.05508	89.3
69.07069	11.8
71.04993	3.7
71.08626	1.8
73.02918	2.1
79.05492	9.5
81.07056	36.4
83.08607	12.6
85.02911	4.8
85.06521	1.9
85.51125	1.5
91.05469	10.1
93.07040	13.2
95.08611	28.0
97.02923	1.5
97.10184	3.3
99.08060	1.9
105.07047	4.0
107.08607	7.0
109.10160	77.0
111.08083	3.7
111.11720	1.7
119.08551	8.1
121.10159	4.8
123.11714	5.5
125.84479	1.5
133.08551	1.9
133.10150	3.6
135.11716	3.6
137.13232	1.7
147.11775	1.8
149.13278	2.2
155.10703	5.2
173.11749	17.5
184.07393	2.5
196.56190	1.5
229.14349	100.0
230.14798	2.8
245.22653	2.2
259.87067	1.6
263.23709	3.8
276.33606	1.8
337.27368	68.5
343.86813	1.8
458.43365	2.0
491.37366	50.4
492.37906	2.0
547.79700	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	2.3
55.01889	2.0
55.05514	16.1
57.03441	10.7
57.07066	3.3
59.04999	5.0
61.02915	4.9
65.03935	1.7
67.05509	100.0
69.03423	3.3
69.07072	16.1
71.04980	3.2
71.51838	1.5
71.52345	2.1
73.02924	2.0
79.05488	10.9
81.07061	45.4
82.64923	1.6
83.08628	13.6
85.02908	2.2
85.06542	3.3
89.06036	2.7
91.03955	2.2
91.05486	10.2
93.07049	15.5
95.08616	30.0
97.10148	3.8
105.06984	4.4
107.08587	7.1
109.10165	73.9
111.08053	3.3
119.08564	10.2
121.10135	6.3
121.80920	1.7
121.91396	1.8
123.11703	4.9
133.10130	4.1
135.11757	2.5
137.09656	3.4
137.13258	2.1
145.04918	1.7
155.10692	6.0
161.13316	1.6
173.11754	18.5
184.07292	2.1
199.03665	1.7
227.12810	1.8
229.14368	85.1
263.23682	6.1
337.27380	72.1
491.37393	72.0
492.37912	4.0
628.28381	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	690.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35593	0.6
51.02372	0.8
55.01868	2.5
67.05508	0.8
68.16620	0.7
69.03436	0.7
71.58953	0.6
73.87737	0.6
79.05498	3.4
81.07050	0.9
86.09698	0.8
91.05483	8.5
95.04954	1.5
95.08575	1.2
103.05473	48.5
105.04551	0.9
105.07035	19.5
107.04960	36.3
109.21207	0.6
115.05414	4.1
118.04176	0.9
119.04952	10.9
121.06511	2.4
128.06190	0.9
131.04933	100.0
132.05272	0.9
133.06500	14.3
137.05986	9.5
143.05978	1.2
146.03630	4.3
146.07346	1.3
147.04417	24.2
149.02351	1.4
149.05974	2.9
151.07530	0.8
161.05986	44.8
163.07544	36.9
168.05695	1.2
169.06509	1.1
179.07047	24.6
193.05006	1.7
198.06058	0.7
199.07547	11.8
202.07787	1.2
203.08598	2.5
220.08897	0.7
231.08055	5.5
247.07558	0.8
248.08365	1.9
259.07578	5.0
260.08334	2.4
263.10699	1.8
267.10248	2.2
269.17438	0.8
271.86542	0.7
276.07907	1.6
291.10181	17.8
295.13425	0.7
308.10489	0.8
323.12823	12.3
327.12201	0.8
331.29425	0.8
365.13867	1.6
385.09256	1.6
429.11945	2.4
489.19077	1.0
533.31873	0.7
654.94641	0.7
690.34778	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03951	2.4
55.01866	1.1
55.05521	2.3
57.03422	1.0
57.07071	0.6
59.04990	1.3
61.02921	1.1
67.05505	1.2
68.99789	1.5
69.03439	7.1
69.07072	1.9
70.06596	1.1
71.01364	0.4
71.05000	15.3
71.17570	0.9
73.02921	0.8
73.06552	4.3
79.05501	4.7
81.03425	9.3
81.07063	20.5
83.05008	0.5
84.08154	0.5
85.02913	9.1
86.09693	0.6
87.00841	4.0
91.05499	1.9
93.07050	11.9
93.25983	0.4
95.04926	0.8
95.08603	2.5
97.02904	8.6
97.06527	1.4
99.04463	4.4
103.03946	0.7
105.01885	3.1
105.07032	0.9
107.08600	11.1
109.02885	13.5
109.10176	1.8
109.19791	0.5
111.04432	1.1
111.08094	0.7
118.33338	0.4
123.04475	0.4
125.02379	0.6
127.03933	17.7
129.01863	1.1
135.04396	0.4
135.11700	24.2
137.02338	0.4
137.06052	0.8
141.01845	2.4
145.04984	4.8
147.02905	2.2
147.04518	0.5
147.76872	0.4
151.03932	0.5
153.12755	100.0
154.13087	1.5
159.02917	1.5
169.04941	0.4
171.02962	0.4
177.05437	0.6
188.03793	1.6
189.04054	0.6
189.05554	0.5
192.53525	0.4
197.66286	0.4
201.05476	1.0
207.06566	0.4
213.03923	2.1
219.06572	0.4
231.04999	3.7
235.06020	0.8
249.06100	1.2
260.77533	0.4
261.82779	0.4
273.06091	1.1
285.06094	0.5
291.07056	0.8
303.07141	0.6
314.06943	0.6
318.63953	0.4
333.08139	0.6
339.07199	1.5
357.08206	4.8
375.09311	5.7
375.73611	0.4
393.09924	0.4
458.23053	0.5
465.30710	0.4
576.30170	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.05508	1.4
56.35434	0.4
57.03441	1.9
59.05009	0.4
59.54369	0.4
61.02926	4.9
65.03906	0.4
67.05508	9.2
69.03429	2.6
69.07076	1.1
69.32816	3.6
71.01363	0.7
71.04973	0.5
73.02916	2.8
79.05482	2.0
81.03422	1.5
81.07060	3.7
83.08604	0.8
85.02908	5.2
85.22514	0.4
91.03957	3.2
91.05480	1.8
93.07040	3.1
95.08618	2.8
97.02891	3.1
99.04494	0.8
101.02398	1.5
105.07032	0.9
107.08605	1.4
109.02913	0.8
109.06541	0.4
109.09461	0.8
109.10153	6.8
116.49459	0.5
117.07024	0.5
119.08611	1.1
121.10166	1.3
127.03939	1.3
131.08588	0.9
133.10135	0.6
135.11751	0.6
155.10719	0.4
173.11801	1.2
173.13232	0.4
174.11909	0.4
177.57114	0.4
185.04326	0.5
195.09940	0.6
203.05452	0.5
208.05722	0.4
219.00917	0.4
229.14429	0.8
243.08516	1.8
270.30444	0.4
335.25748	0.7
361.48624	0.4
367.99936	0.5
413.17841	10.6
414.18317	0.5
519.29199	4.2
543.17047	0.4
584.51245	0.5
691.40289	100.0
692.40753	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	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	0.8
55.05506	1.2
57.03444	1.7
61.02929	6.0
67.05508	8.1
69.03441	3.1
69.07067	1.3
71.05000	0.9
71.71962	0.3
73.02919	3.6
75.83240	0.4
79.05493	3.3
81.03428	2.0
81.07064	6.1
83.04983	0.7
83.08638	0.9
85.02903	5.2
87.04476	0.4
91.03962	2.7
91.05481	2.6
93.07043	3.4
95.04955	0.4
95.08611	4.0
95.34407	0.4
97.02897	5.0
98.20728	0.7
99.04474	0.7
101.02390	1.6
105.07026	1.7
107.08604	2.1
109.02888	1.0
109.10162	5.0
115.04002	0.4
115.33547	0.3
119.08606	1.6
121.10159	1.4
123.11672	0.5
127.03928	1.3
129.05467	0.4
131.08609	1.5
133.10147	0.8
135.11723	0.9
137.09671	0.4
145.10149	0.4
147.11691	0.5
149.13338	0.4
156.90480	0.3
159.11667	0.7
173.11777	0.8
185.04260	0.5
195.09915	0.9
229.14491	0.8
240.83833	0.3
243.08501	1.5
335.25784	0.8
411.70901	0.4
413.17825	4.0
492.38974	0.4
519.29297	8.8
597.09521	0.4
691.40289	100.0
692.40387	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	691.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	13.1
55.01867	4.0
55.05513	28.0
57.03440	16.6
61.02934	5.1
65.03961	3.4
66.76383	2.6
67.05510	88.2
69.03439	22.1
69.07076	23.6
71.05001	8.2
72.94564	2.4
73.02921	6.9
79.05502	59.2
79.05968	3.7
79.10458	2.4
81.03431	46.2
81.07064	100.0
83.04996	29.4
83.08617	13.3
85.02909	11.9
91.03959	3.7
91.05490	45.4
93.07053	66.4
95.04972	10.5
95.08607	52.0
96.46884	3.1
97.02914	18.3
97.06532	11.7
97.10207	3.1
98.21551	6.2
99.04445	5.5
99.08049	3.0
100.67152	2.5
105.07052	30.5
105.36024	2.7
107.04948	3.7
107.08607	36.5
109.02887	9.2
109.06525	4.4
109.10164	20.1
111.04438	8.1
111.08081	4.5
115.05544	2.9
117.07030	14.5
119.08602	23.3
121.10157	24.3
121.65639	2.7
123.04458	3.1
123.08083	3.3
123.11741	7.6
127.03915	9.3
129.05490	12.2
129.07008	5.5
131.08565	18.7
133.10133	19.7
135.08031	3.4
135.11722	16.6
137.09764	2.9
137.13257	4.2
141.07019	3.2
143.08600	6.2
145.10164	13.4
147.11714	19.1
149.13257	21.8
153.13104	2.7
155.08534	4.1
157.10135	6.7
159.08144	3.9
159.11694	16.1
161.13298	3.5
163.11118	3.2
163.14821	5.2
165.12802	7.2
169.10103	3.4
171.11748	3.8
173.13268	4.4
177.12802	5.8
185.13304	4.5
195.10023	2.9
195.13858	7.4
199.14896	3.8
221.15532	2.8
256.49823	2.7
261.22134	4.8
267.15912	6.1
269.17349	15.2
301.21536	3.2
317.24707	3.0
335.25839	33.8
339.18042	5.4
369.24460	3.2
413.17542	5.5
413.22281	5.9
456.44211	2.7
492.18506	3.0
512.00525	3.2
519.29602	6.3
529.38971	50.1
547.39600	3.4
655.42352	3.7
673.43146	4.8
691.40320	98.1
692.41522	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	691.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.0
55.01873	3.7
55.05512	30.1
57.03441	17.2
57.07056	2.8
57.37156	1.6
60.49594	1.9
65.03937	5.9
67.05508	85.4
68.06795	1.5
69.03432	24.9
69.07075	26.8
69.89486	1.5
70.34649	1.7
71.01347	2.3
71.04998	8.7
71.52307	2.8
73.02923	1.7
73.98546	1.6
79.05495	57.2
80.01348	2.0
81.03422	47.0
81.07060	100.0
83.04987	35.7
83.08619	14.7
85.02898	8.2
85.06566	3.5
85.38813	1.9
91.05483	40.4
93.07048	72.6
95.04972	11.2
95.07980	3.5
95.08609	61.3
97.02895	15.8
97.06541	9.2
97.10181	5.0
99.04469	5.7
99.08097	3.1
103.05493	2.0
105.04513	3.6
105.07046	30.3
107.04950	7.8
107.08595	37.7
109.02899	8.6
109.06552	4.2
109.10146	20.8
111.04445	5.1
111.08066	6.0
112.50142	1.7
115.05466	2.7
117.07021	17.1
119.08600	21.9
121.06499	5.0
121.10148	34.0
123.08044	3.8
123.11758	8.5
125.06020	2.4
125.09625	2.0
127.03925	10.2
128.06226	1.9
129.05505	17.0
129.06996	6.6
130.07724	1.9
131.08568	23.0
133.06429	3.3
133.10120	19.7
135.08011	2.1
135.11702	17.2
137.13318	2.3
139.11134	1.9
141.06976	3.2
142.07822	2.2
143.08571	8.4
145.10121	15.0
147.08112	2.6
147.10696	2.0
147.11693	14.3
149.09619	3.1
149.13268	21.0
155.08604	3.6
157.10112	7.1
158.96605	1.8
159.11687	16.4
161.13271	7.7
163.14819	3.6
165.12808	4.1
169.10158	3.2
170.88362	1.7
171.11682	7.0
173.04488	2.2
173.13269	7.9
175.11217	3.1
175.14816	3.5
177.12785	6.7
179.14275	3.0
183.11731	4.5
185.13252	1.8
187.14738	3.3
195.13766	10.4
199.14769	2.0
215.14281	2.0
217.15976	1.8
237.12933	2.2
243.20995	2.3
261.22107	7.6
263.23892	2.7
267.15900	5.9
269.17551	20.8
275.16425	4.5
293.17365	2.7
317.24765	2.3
321.16943	2.1
327.23044	2.3
335.25815	45.5
337.27444	3.8
339.18137	5.5
345.24500	1.9
369.24390	4.3
407.53879	2.2
413.21878	9.3
461.29269	2.5
479.30078	3.8
529.38928	69.0
530.38843	2.4
537.40649	1.9
547.39612	4.6
637.40961	2.4
655.41687	3.1
673.42877	7.4
691.44250	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	691.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.2
53.03946	13.5
55.01866	4.7
55.05267	2.0
55.05515	29.1
57.03440	8.9
57.07071	4.0
59.04977	2.2
59.78386	1.2
65.03954	6.2
65.04236	1.3
67.05508	82.8
69.03085	2.4
69.03433	30.0
69.07072	21.0
70.56351	1.2
70.96305	3.3
71.01360	1.8
71.04999	10.6
73.02910	3.0
77.03922	2.5
79.05499	64.4
81.03419	57.9
81.07061	100.0
83.04977	20.3
83.08617	9.7
85.02904	10.4
85.06554	7.4
87.04445	2.8
91.05486	44.0
93.07050	65.1
95.04962	11.2
95.08614	41.9
95.09213	1.0
97.02900	22.4
97.06549	11.6
97.10167	3.7
99.04456	11.6
99.08103	3.6
101.02379	1.7
103.03973	1.7
103.05470	1.3
105.04538	1.8
105.07036	28.2
107.04958	4.8
107.08606	32.0
109.02876	12.1
109.06516	4.6
109.10156	15.9
111.04469	8.4
111.08098	3.9
115.05430	2.7
117.07027	14.7
119.08595	15.0
121.06516	2.5
121.10154	23.7
123.08078	3.0
123.11736	8.9
125.09625	1.7
126.99383	1.4
127.03922	10.4
128.06201	1.5
129.05472	13.1
129.07005	4.7
131.08568	22.3
133.06467	1.9
133.10141	20.6
135.04572	1.2
135.08057	3.9
135.11708	18.4
137.05908	1.4
139.11192	2.9
141.06987	1.6
143.08537	4.9
145.06494	1.7
145.10114	9.4
147.07967	2.3
147.11678	12.0
149.09607	2.1
149.13269	19.7
151.11203	4.4
155.08560	1.8
157.10124	4.9
159.08070	1.7
159.11691	24.1
161.09590	1.7
161.13264	5.0
163.14810	1.4
165.12769	2.5
167.14206	1.2
169.10052	2.0
169.12315	1.6
171.06534	2.2
171.11732	3.1
173.04469	28.3
173.13277	4.0
175.11218	2.2
175.14767	2.2
177.12756	11.5
179.14291	1.6
180.47198	1.3
183.08122	1.3
183.11728	2.5
185.09659	1.3
185.13293	3.0
187.11467	1.4
187.13304	5.8
187.14879	3.7
191.14339	1.4
193.12271	3.7
195.12111	2.2
195.13799	14.7
201.12918	1.3
201.16515	1.6
203.12723	2.3
213.13040	1.5
213.14890	3.7
221.15370	1.5
227.14363	1.2
243.15913	6.5
261.22247	7.9
267.15967	2.0
269.17471	11.2
285.17242	1.3
301.21619	1.9
302.03491	1.4
317.24786	1.9
319.22717	1.4
321.16925	1.6
331.22736	1.5
335.25851	20.2
339.18069	8.1
351.22952	1.4
357.18964	1.4
369.24258	4.0
387.25500	1.9
395.20316	3.0
401.05603	1.5
405.26553	2.3
413.21820	12.5
443.28027	1.5
461.28827	1.5
503.37326	34.0
519.78827	1.4
529.38971	13.4
547.39941	3.5
597.45636	1.3
613.42017	1.6
637.40735	1.6
673.43262	5.9
691.44226	29.9
692.43958	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.0
54.20311	3.4
54.59340	3.6
55.01880	5.2
55.05518	28.3
56.22860	3.5
57.03435	13.1
60.09959	3.7
61.74049	3.6
67.05511	79.9
69.03436	20.3
69.07091	27.6
71.04997	10.5
71.52236	5.7
79.05498	54.0
81.03418	40.6
81.07062	100.0
83.04978	16.9
83.08624	11.2
83.45195	4.1
85.02911	10.8
85.06552	6.0
91.05488	54.2
93.07050	63.0
95.04989	14.0
95.08612	46.1
97.02911	14.3
97.06563	9.6
97.10214	5.3
99.08106	6.4
105.07039	36.5
107.04943	3.9
107.08595	39.3
109.02887	4.9
109.06522	6.6
109.10202	21.1
111.04443	6.5
111.08089	7.3
111.99606	3.6
116.44243	3.6
117.06973	21.1
119.08593	28.8
120.70139	4.3
121.10150	27.6
123.08103	5.4
123.11748	7.7
127.03933	7.9
129.05507	7.9
129.07011	13.9
131.08540	24.5
133.10152	23.8
135.11710	14.6
137.40361	4.0
143.08562	11.8
145.10121	20.0
147.08092	4.4
147.11678	22.2
149.13268	19.5
155.08548	7.5
157.10158	6.0
159.11742	16.5
161.13260	5.1
163.11186	4.6
171.11679	6.4
173.13274	13.1
177.12704	5.7
185.09647	4.3
185.13210	4.4
195.13773	9.4
197.13365	4.7
261.22183	4.5
267.15982	8.6
269.17453	25.7
301.21689	5.6
335.25735	9.9
337.27194	4.1
345.24106	5.3
358.68015	4.4
369.24277	11.2
387.25549	7.7
479.30066	4.7
481.18491	4.9
529.38916	18.0
631.29926	4.3
661.05731	4.3
673.42932	12.2
691.32007	7.0
691.43500	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	692.422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.01867	1.5
55.05517	14.3
57.03449	7.2
57.07083	2.1
59.05006	1.4
61.02931	5.1
65.03941	2.3
65.34550	0.8
67.05512	63.2
68.05827	1.2
69.03440	2.9
69.07074	12.9
70.06607	1.4
70.10366	3.2
71.04999	23.6
71.08639	0.9
73.02915	1.8
73.06570	0.9
79.05502	27.3
81.03407	3.7
81.07065	100.0
83.04968	4.7
83.08630	13.8
85.02922	5.1
85.06553	9.7
87.04504	1.1
91.03965	2.0
91.05492	24.7
93.07055	35.2
95.04983	3.1
95.08614	12.5
97.02897	1.1
97.06538	8.6
97.10163	2.6
99.08101	1.3
105.04527	1.2
105.07032	9.8
107.08612	24.8
109.06564	2.1
109.10172	8.6
111.08091	3.4
114.44761	0.8
117.07030	5.8
119.08593	3.3
121.06507	1.7
121.10146	8.0
123.11712	15.4
125.09603	1.7
131.08572	7.2
133.10152	21.2
135.11708	7.3
147.11781	1.1
149.13278	13.1
151.11194	7.5
159.11719	8.8
165.53532	0.9
169.12309	1.6
177.12752	4.1
179.51399	0.8
183.13831	3.7
187.13318	4.1
191.10684	0.9
195.13841	10.7
201.14865	1.0
213.14850	1.7
225.14864	2.7
229.14372	2.3
240.62613	0.8
251.16406	1.4
257.17538	1.8
269.17514	26.2
301.20120	18.4
419.28009	1.7
423.27713	1.1
437.29056	75.2
438.29318	2.1
451.30603	8.0
463.24210	2.0
463.30615	33.7
464.30795	1.3
495.33261	92.9
496.33609	2.7
504.77017	1.1
513.30579	1.7
632.24219	1.3
639.36530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05515	11.6
57.03439	5.0
57.07067	2.1
61.02906	3.1
65.03944	1.4
67.05508	54.9
69.07072	13.3
69.41317	5.6
69.41740	1.7
71.05000	16.1
71.11420	1.0
72.66873	1.0
73.02914	0.9
79.05496	26.2
81.03436	1.3
81.07059	87.2
82.07361	1.0
83.04987	4.2
83.08619	10.1
85.02882	2.3
85.06558	6.9
86.73810	1.0
91.05480	20.7
93.07045	37.7
95.04966	2.7
95.08604	13.4
97.02919	1.3
97.06514	8.4
97.10159	1.8
99.08103	1.9
105.07043	8.8
106.28545	0.9
107.08594	23.0
109.06510	1.4
109.10148	6.2
111.08083	4.8
117.07023	5.8
121.06493	1.8
121.10146	15.4
123.11707	10.2
125.09554	1.1
131.08594	5.7
133.10127	14.8
135.08054	1.3
135.11679	5.3
139.11159	1.7
147.11739	1.4
149.13261	19.9
151.11218	5.2
159.11725	9.4
177.12758	4.3
183.13812	3.1
187.13374	2.9
191.11836	1.0
195.13779	7.4
213.14793	1.1
269.17456	19.8
301.20074	10.0
437.22903	2.1
437.29004	45.6
451.30716	7.6
463.30557	100.0
464.30957	4.3
495.33179	40.3
516.47894	1.0
639.37036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01871	0.7
55.05491	0.4
57.03454	0.7
60.27781	0.3
69.03422	2.0
69.87171	0.7
69.87569	1.8
70.06584	1.1
70.28985	0.4
71.04995	1.1
72.08158	0.4
79.05458	0.5
81.03417	12.1
84.08147	0.7
85.02905	5.7
85.59647	0.3
86.09709	0.8
91.05482	55.9
92.05802	0.4
95.08572	0.4
97.02895	7.0
97.17246	0.4
98.21423	0.5
99.04452	2.7
103.03920	0.6
103.05449	0.6
105.03393	1.2
105.07047	2.5
107.04966	0.9
109.02886	21.7
115.05465	5.0
116.01811	0.4
117.07025	4.4
119.04950	1.6
127.03919	26.9
128.04291	0.5
133.06490	8.5
137.06000	0.5
139.03839	0.6
143.04933	2.1
145.04979	1.2
145.06494	1.3
147.04413	0.6
161.05983	100.0
162.06342	1.1
169.04980	4.3
171.04419	7.3
179.07040	15.6
181.06474	0.6
187.06033	4.0
189.05470	4.6
199.07602	0.5
203.07097	0.4
207.06485	0.9
223.07555	0.4
228.04231	0.4
229.07059	2.9
247.08183	4.6
249.07581	8.6
251.07080	0.4
269.08017	1.4
287.09192	3.3
315.08636	6.1
333.09476	0.7
347.11157	0.7
375.10580	1.4
393.11542	1.3
421.74167	0.4
445.34903	0.4
453.13477	0.7
499.25732	0.4
693.41809	0.4
694.40198	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
53.59846	0.4
55.01877	0.9
65.03924	0.8
69.03436	7.4
69.42306	1.2
69.42730	1.9
71.04998	2.2
71.10496	0.4
73.02912	0.6
75.39548	0.5
81.03422	25.9
83.01344	1.1
84.18681	0.4
85.02912	12.4
85.87153	0.5
86.56427	0.4
90.00081	0.4
91.05485	100.0
92.05828	0.8
97.02898	15.9
97.03529	0.9
99.04465	8.1
105.03410	0.6
105.07046	1.4
107.04992	0.5
109.02885	34.0
115.03951	0.9
115.05447	4.6
117.07021	5.5
119.04964	2.1
119.32356	0.4
127.03922	66.7
128.04250	0.8
133.06485	4.3
135.82144	0.4
139.03929	1.0
141.05487	0.7
143.04936	6.7
145.04965	26.0
145.06471	2.3
147.04364	0.5
160.88545	0.4
161.05988	42.9
169.04971	15.2
171.04414	27.3
179.07040	22.2
180.07356	0.5
187.06024	8.8
187.07672	0.6
189.05513	2.0
195.07953	0.5
199.07500	0.7
221.08081	6.3
229.07112	3.8
231.06552	4.6
247.08148	3.3
249.07593	12.8
249.10054	0.8
267.08667	1.2
269.08176	1.5
286.69501	0.4
287.09125	4.4
305.10181	6.1
315.08691	3.3
333.09686	7.1
347.11282	6.0
351.10684	1.4
365.12054	0.7
375.10773	7.9
393.11810	10.6
407.13510	1.2
435.12900	0.9
453.14124	2.5
477.31985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01873	0.9
57.03446	0.7
58.53458	0.4
61.02932	0.6
63.03837	0.4
63.32358	0.4
65.03946	0.6
66.51557	0.5
68.99792	0.4
69.03432	7.7
71.04993	1.7
71.51297	0.6
71.71311	0.5
73.02912	0.7
79.05503	0.6
81.03422	27.0
83.01359	1.4
83.69942	0.4
85.02907	11.0
91.05486	100.0
92.05822	1.3
97.02897	14.4
99.04458	10.3
105.07057	1.5
107.04982	0.5
109.02885	32.9
111.44323	0.4
115.03950	1.0
115.05461	3.8
117.07016	6.4
119.04992	1.9
127.03923	71.0
128.04248	0.7
129.07051	0.4
133.06509	4.4
139.03925	1.0
143.04950	6.0
145.04967	25.9
145.06470	3.1
147.04468	0.6
155.06075	0.4
157.06406	0.5
157.37097	0.4
161.05991	44.6
162.06348	0.7
169.04976	14.4
171.04417	25.6
179.07042	21.9
187.06027	9.7
189.05457	2.3
199.07565	0.7
221.08105	6.4
223.07623	0.4
229.07051	4.8
231.06555	3.8
247.08128	3.1
249.07616	11.4
267.08734	1.2
269.08060	1.5
287.09216	3.7
305.10208	5.9
315.08615	2.5
321.89404	0.4
333.09695	6.4
335.97940	0.4
347.11246	5.5
351.10718	1.4
365.12430	0.4
375.10724	7.6
393.11810	9.2
435.12918	0.8
453.13995	2.1
595.31873	0.5
708.64368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01864	1.1
57.90347	0.6
68.99799	0.7
69.03432	8.6
69.27061	5.2
69.27477	1.0
71.04977	1.8
81.03418	25.5
83.01358	0.8
85.02908	12.5
91.05481	100.0
92.05820	1.3
97.02889	15.2
99.04457	7.8
105.07051	1.2
109.02879	33.0
115.05463	4.3
117.07046	5.4
119.04959	1.8
127.03919	64.6
129.02693	0.7
133.06503	5.1
139.03900	0.8
143.04921	5.5
145.04964	25.1
145.06493	2.4
161.05981	45.0
169.04965	14.2
171.04407	24.9
179.07037	19.8
179.08557	1.1
187.06021	6.5
189.05519	2.0
221.08119	6.1
221.12521	0.7
227.09863	0.7
229.06943	4.4
231.06508	4.3
247.08202	3.1
249.07622	10.6
252.81827	0.7
269.08084	1.4
287.09167	2.6
305.10184	4.9
315.08649	2.7
333.09769	6.4
347.11346	5.7
351.10834	1.2
365.12448	0.8
375.10785	6.9
379.75208	0.7
393.11871	10.0
407.13281	1.1
435.13019	1.0
453.13943	2.9
656.76105	0.8
659.22162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01875	0.8
57.03443	0.8
60.26412	0.5
65.03960	0.7
68.99762	0.4
69.03429	7.5
69.55114	1.7
69.55544	1.5
71.05003	2.3
73.02923	0.8
81.03418	25.8
83.01344	1.4
85.02906	12.1
89.03931	0.6
91.05480	100.0
92.05824	1.3
95.11877	0.5
97.02891	14.8
97.03529	0.8
98.21513	0.6
99.04455	10.2
105.03403	0.9
105.07046	1.1
107.51598	0.4
109.02882	33.2
115.03955	0.9
115.05456	4.4
117.07025	6.3
119.04964	2.4
127.03916	66.9
128.04266	0.6
133.06500	3.9
143.04906	6.6
145.04964	25.8
145.06450	3.1
147.04419	0.5
161.05980	43.8
162.06325	0.8
169.04948	16.5
171.04417	28.1
172.04785	0.7
179.05472	1.1
179.07037	19.7
187.06004	7.9
187.07523	0.8
189.05507	1.8
199.07629	1.2
203.07056	0.6
221.08080	5.4
222.98508	0.4
229.07069	5.0
231.06528	5.5
247.08176	2.7
249.07597	11.3
267.08640	1.6
269.08112	1.5
287.09158	3.8
288.54294	0.5
293.85635	0.5
305.10181	6.2
315.08612	2.4
333.09659	6.7
347.11227	5.7
351.10626	1.0
365.12253	0.5
375.10721	8.7
393.11795	10.8
435.12686	1.4
453.13956	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	694.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39622	0.5
53.03952	3.0
53.59266	0.5
55.01876	1.0
57.03435	1.0
65.03932	0.7
69.03435	8.6
71.04990	2.5
71.50800	0.8
71.51154	0.5
73.02940	0.8
75.28136	0.5
79.05518	0.8
81.03423	27.6
82.03716	0.5
83.01344	1.5
83.04990	0.6
85.02912	11.4
87.37048	0.6
91.05486	100.0
92.05818	1.4
93.07019	0.7
97.02898	15.4
99.04461	9.3
101.46798	0.5
105.03436	0.8
105.07019	1.7
107.04974	1.1
109.02885	34.8
115.05457	5.1
117.07034	6.3
119.04981	2.0
127.03925	67.4
129.06955	0.5
130.13492	0.5
133.06509	5.5
135.29019	0.6
139.12387	0.5
143.04930	6.4
145.04973	23.1
145.06465	2.8
146.05135	0.6
147.04451	0.8
161.05992	49.0
162.06378	0.9
169.04967	12.8
171.04420	26.3
179.07043	21.3
187.06017	9.0
189.05473	2.2
207.06560	0.9
221.08098	6.1
229.07054	4.7
231.06502	4.4
247.08145	3.4
249.07596	11.8
267.08707	0.6
269.08170	1.5
287.09067	5.2
305.10178	5.2
315.08417	2.6
333.09689	7.1
347.11340	4.5
351.10840	1.6
368.64279	0.6
375.10815	8.2
393.11810	10.5
435.12775	1.0
453.13705	2.8
581.37140	0.7
640.13593	0.6
658.49969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
53.13390	0.4
55.01866	1.1
57.03445	0.6
59.39185	0.4
61.02919	0.7
65.03944	0.8
69.03437	8.1
70.06598	0.8
71.05003	2.2
71.11399	0.7
73.02923	0.7
81.03424	25.6
81.07047	0.6
83.01360	0.9
85.02913	12.2
89.03892	0.5
91.05488	100.0
92.05832	0.9
97.02897	14.3
99.04457	9.3
103.04039	0.5
103.05460	0.4
105.07037	1.3
107.05027	0.7
109.02888	33.2
115.03934	0.9
115.05437	3.8
117.07024	5.9
119.04955	1.9
127.03924	69.1
128.04276	0.5
133.06485	4.2
139.03909	1.1
143.04944	7.1
144.68149	0.4
145.04967	25.2
145.06461	2.1
161.05992	47.9
162.06276	0.6
169.04976	13.4
171.04420	26.6
179.07040	21.2
180.07373	0.6
187.06021	8.2
189.05464	2.0
207.06520	0.5
221.08093	6.3
229.07059	4.2
231.06508	3.7
247.08133	2.7
249.07620	9.8
267.08582	1.3
269.08084	1.8
270.48074	0.5
287.09109	4.6
305.10193	5.2
315.08701	2.6
333.09686	7.0
347.11261	4.7
351.10669	1.6
365.12244	0.8
375.10785	7.3
393.11826	9.0
407.13278	0.6
435.12921	1.1
453.13812	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04552	0.5
53.03940	2.7
55.01876	1.0
57.03425	0.7
62.09962	0.5
63.24848	0.5
67.05499	1.0
69.03429	5.6
70.03326	1.5
70.03735	1.2
71.04988	2.2
79.05505	0.9
81.03419	22.8
81.07047	1.3
82.35938	0.5
83.01338	0.6
83.04997	0.8
85.02901	9.3
91.05484	93.4
92.05803	1.5
93.07014	0.7
97.02898	12.8
98.21436	0.8
99.04454	6.7
103.58074	0.5
105.03391	1.4
105.07037	3.3
107.04947	1.5
109.02885	30.9
115.05450	7.0
117.07016	6.5
119.04961	2.2
127.03924	50.6
129.07019	0.8
133.06494	11.1
133.10182	0.6
139.03868	0.7
141.36720	0.5
143.04933	5.8
145.04953	12.6
145.06490	1.9
161.05988	100.0
162.06297	1.6
169.04967	8.0
171.04416	18.3
179.05470	1.2
179.07036	21.0
187.06042	7.3
189.05443	5.6
199.07486	1.0
207.06575	0.9
221.08047	2.5
229.07037	4.1
231.06514	1.5
245.97556	0.6
247.08081	5.8
248.41675	0.5
249.07585	13.4
267.08722	0.9
269.08032	2.3
287.09195	3.6
305.10358	2.7
315.08643	6.5
333.09769	3.2
347.11374	2.7
351.10718	1.0
365.12283	0.6
375.10745	5.3
384.53528	0.6
385.17926	0.6
393.11813	5.0
421.83444	0.6
435.12427	0.9
453.13718	1.7
467.12158	0.6
693.39868	0.6
694.25873	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13596	0.4
52.30669	0.4
53.03945	3.2
55.01873	0.7
55.05515	0.6
57.03424	0.6
61.02951	0.5
65.03940	0.7
65.60318	0.4
69.03431	8.9
69.03809	0.5
69.38564	3.3
69.76868	0.4
71.04984	1.9
73.02891	0.8
79.05495	0.5
81.03420	26.6
81.07081	0.5
83.01318	0.9
85.02910	10.8
91.05482	100.0
92.05827	0.9
97.02897	14.3
99.04459	9.5
105.07052	1.5
107.04956	0.8
109.02883	32.4
115.03910	0.8
115.05448	4.3
117.07023	5.8
119.04956	1.3
120.68230	0.4
121.16879	0.4
127.03921	65.8
129.07018	0.6
133.06485	4.8
139.03906	0.8
141.70297	0.5
143.04919	6.3
145.04965	25.1
145.06461	3.0
147.04472	0.7
155.06065	0.6
161.05980	43.5
162.06371	0.9
169.04965	14.0
171.04416	26.9
172.04761	0.5
179.07034	21.5
180.07243	0.5
187.06024	7.9
189.05453	2.1
199.07632	1.1
207.06551	0.5
211.11288	0.4
221.08081	6.1
229.07100	4.3
231.06543	3.7
243.10194	0.5
247.08101	3.5
249.07585	9.5
267.08624	1.6
269.08081	1.7
284.78339	0.4
287.09183	4.1
296.09384	0.4
305.10236	5.6
315.08652	1.6
333.09668	6.8
347.11234	4.8
351.10822	1.0
365.12265	0.4
375.10696	6.9
393.11777	8.9
407.13483	0.7
435.12817	0.6
453.13922	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04025	0.4
55.62523	0.4
57.03527	0.4
57.16076	0.3
66.04580	0.4
66.92387	0.3
67.05341	0.5
67.05644	0.5
69.03265	0.8
69.03603	1.0
70.06390	0.8
70.06791	0.9
71.51624	0.5
79.05296	0.9
79.05693	0.6
80.05261	0.5
81.03196	0.9
81.03683	0.9
81.06878	0.6
81.07271	0.6
84.07951	0.9
84.08383	0.8
85.02687	0.7
85.03210	0.8
86.09515	0.5
91.05247	1.0
91.05811	0.9
93.05576	0.9
93.06082	0.7
93.06812	1.0
93.36073	0.4
94.06295	1.6
94.06944	0.8
95.05313	0.4
96.07843	1.5
96.08524	0.7
97.02638	1.0
97.03283	0.8
103.05267	0.4
105.06814	0.9
105.07430	0.5
107.04672	1.5
107.07100	0.8
108.04242	0.5
108.07822	4.8
108.08643	1.6
109.02628	0.8
110.09378	1.8
110.10197	0.7
111.46555	0.4
120.04218	0.9
120.04951	0.5
120.07796	3.0
120.08708	0.6
122.03399	0.5
122.05721	2.3
122.06696	0.6
122.09337	2.2
124.07307	0.5
127.03634	1.0
127.04497	0.7
129.09917	0.4
132.07838	0.8
134.05786	0.6
136.07245	6.4
136.08395	1.5
136.10959	0.6
137.05641	5.8
137.06793	1.1
138.06067	1.1
138.08823	2.7
138.09955	0.8
146.05754	0.7
147.04144	0.6
148.07217	2.8
150.08792	2.3
151.03648	0.5
152.06831	0.9
152.07948	0.4
161.05658	1.0
162.08969	0.4
163.03609	0.5
164.06789	0.9
164.10399	0.5
166.09784	0.5
177.05209	0.7
178.08275	0.6
180.09921	0.7
196.09628	0.6
197.10461	0.9
199.11955	0.5
208.09512	0.4
209.10510	0.8
210.11005	0.7
211.08354	0.6
211.11897	1.2
212.09215	0.7
213.09995	0.8
221.10323	0.8
223.08469	0.7
223.12018	0.8
224.09235	0.7
225.10223	5.1
226.10751	0.8
227.11493	1.4
233.10529	0.5
235.08247	2.1
235.12064	0.6
236.08936	1.3
237.10234	7.2
238.10999	2.4
239.07729	1.2
239.11801	6.3
240.12161	0.5
241.09381	0.9
241.13118	0.8
247.08382	0.6
248.09131	0.6
249.09822	4.9
250.11079	2.5
251.07774	1.9
251.11800	5.6
252.08603	0.6
252.12509	2.1
253.09706	4.4
253.13284	1.9
254.10164	0.7
255.10912	1.7
261.09814	1.8
263.07788	0.9
263.11404	3.6
264.08600	1.2
264.12250	0.8
265.09335	7.4
265.12866	1.5
266.10480	2.6
266.12766	0.7
267.11285	11.9
267.14017	0.8
268.11719	0.9
269.12436	1.2
271.10431	1.0
275.11502	0.5
276.08652	0.5
277.09769	3.0
277.12372	0.8
278.10507	3.3
279.07935	0.7
279.11288	9.7
279.14175	0.6
280.12067	2.6
281.08899	1.7
281.12454	5.8
282.09787	0.7
282.13214	0.8
283.10278	1.3
283.13458	0.5
284.11279	0.6
285.11850	1.5
287.05154	1.6
287.13730	0.8
289.09799	2.7
289.12659	0.8
291.10776	2.4
292.11789	0.4
293.08817	2.1
293.12411	5.8
294.09662	1.9
294.12997	1.0
295.10373	2.2
295.14005	2.3
296.11136	1.5
297.12326	2.6
299.13751	1.0
300.10794	0.6
303.10794	0.5
305.08838	0.6
306.09647	0.7
307.10822	3.5
308.10837	1.2
309.08795	0.9
309.12305	5.1
310.12732	0.8
311.09906	1.4
311.13577	2.3
312.10812	0.7
313.11435	1.3
313.15115	0.7
314.12210	1.1
315.13165	1.4
317.12531	0.5
319.10492	0.7
321.12393	1.9
323.09900	0.5
323.13934	1.9
324.10675	0.6
325.11884	2.3
326.12802	2.9
327.13449	2.2
328.13907	1.3
329.14722	1.1
330.15759	0.8
335.09921	0.9
337.11359	1.3
339.13388	7.2
340.14066	1.1
341.14948	8.0
342.15643	0.9
344.17300	1.0
349.11493	0.9
351.13110	0.5
352.14069	0.7
353.11023	1.2
353.14993	0.8
354.11902	0.5
354.15802	1.0
355.12540	0.8
356.13336	1.2
356.17410	0.5
357.13974	1.1
358.13501	0.6
367.12903	2.1
369.14447	2.0
370.15170	1.0
371.16275	0.5
372.16739	1.1
374.18509	0.8
380.13736	0.5
381.14539	4.1
382.15045	1.1
383.15997	0.5
384.12787	0.7
384.17068	0.7
386.14395	0.7
386.18713	0.6
388.16522	0.5
397.14160	1.0
398.14307	0.8
399.15320	0.4
400.16013	1.3
402.17911	0.5
405.14276	0.8
409.13708	1.6
410.14691	0.6
411.15683	2.0
413.17203	0.8
414.18124	0.9
415.14621	0.8
416.15393	0.7
418.17294	0.5
423.15219	1.0
426.13980	0.5
427.14807	0.6
428.15836	0.6
432.18954	0.8
437.12985	0.6
439.14490	1.1
441.16650	6.2
442.17572	1.0
448.22342	0.8
451.14822	1.4
453.16324	0.6
458.16522	0.6
460.18698	1.0
461.13281	0.5
465.16461	1.0
469.16125	2.9
470.16541	0.7
471.17847	1.0
476.21713	0.9
479.14124	1.8
483.17508	2.3
484.18655	0.6
493.15347	0.5
497.15625	0.7
499.16699	0.8
501.18719	5.9
502.19626	0.9
511.17264	2.3
516.21185	0.6
529.18170	1.1
548.23566	0.6
576.23334	1.3
586.22003	0.8
593.23602	0.5
596.26459	0.6
604.22668	3.0
606.20569	0.6
608.25177	0.6
614.21277	0.9
621.22827	1.6
623.24573	1.6
632.22229	3.9
636.25543	16.1
637.26050	0.8
646.23828	1.0
664.25012	100.0
665.25372	4.9
682.25916	1.0
696.27643	41.5
697.27570	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.0
57.50363	0.6
59.51145	0.6
61.02930	4.1
65.73834	0.7
67.05511	3.7
67.21908	0.6
69.03421	2.4
69.07066	1.5
71.04991	2.5
71.51316	1.0
73.02468	0.5
73.02898	3.1
76.36253	0.6
79.05489	2.7
81.03423	1.6
81.07059	5.8
83.08620	1.8
85.02897	4.9
85.06535	1.0
86.09699	1.1
89.43859	0.6
91.03967	2.4
91.05485	3.5
93.07061	3.5
95.08638	1.4
97.02929	3.3
97.06541	1.0
99.04488	0.8
101.02393	2.0
103.05476	0.6
105.07063	1.8
107.04960	2.8
107.08607	2.5
109.02897	1.1
111.08118	0.7
114.74426	0.6
117.07013	1.0
119.08592	1.0
121.10143	1.0
123.11744	1.0
127.03944	1.4
129.07065	0.7
131.04984	0.9
131.08633	1.1
133.10103	3.8
135.11746	0.9
147.04356	0.8
148.61369	0.6
149.13245	1.2
151.11203	0.8
159.11728	1.4
171.60385	0.7
175.07529	0.6
182.23595	0.6
195.13829	0.9
230.98584	0.7
235.13176	0.9
243.08469	2.2
269.17316	0.6
302.19867	0.7
345.06805	0.7
453.20932	7.7
474.47452	0.7
485.23813	6.3
553.37463	0.7
620.77423	0.8
625.32220	1.7
665.86902	0.7
697.37671	100.0
698.38159	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	697.3771
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03951	0.6
54.96369	0.4
55.01890	0.4
55.05509	1.2
57.03437	1.6
57.07084	0.5
61.02933	3.2
67.05506	4.9
69.03442	2.0
69.07072	1.2
69.10000	0.4
71.04988	2.5
71.51244	0.6
73.02918	2.8
78.43310	0.4
79.05500	2.2
81.03421	1.3
81.07058	5.8
82.08511	0.4
83.04993	0.8
83.08624	1.3
85.02915	3.7
85.06573	0.6
86.09669	0.6
91.03956	2.4
91.05486	2.8
93.07051	3.7
95.08620	1.4
97.02898	3.4
97.06541	0.5
99.04483	0.6
99.08097	0.6
101.02400	1.7
101.34258	0.4
104.98299	0.4
105.07059	1.4
107.04968	1.0
107.08597	2.5
109.02874	1.0
109.10175	0.7
110.07133	0.4
111.08147	0.5
117.07034	1.0
121.10150	1.0
123.11679	0.8
127.03936	1.7
131.04980	0.5
131.08585	0.9
133.10172	1.5
135.11676	0.5
149.13298	1.8
151.11292	0.5
159.11743	1.0
195.13838	0.5
203.05200	0.5
235.13132	0.7
243.08281	2.2
257.17422	0.5
267.15829	1.3
311.21085	0.4
391.45499	0.4
426.34747	0.4
453.20975	7.3
485.23578	6.2
697.37708	100.0
698.37933	4.4
705.78955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.2
55.01851	6.3
55.05509	22.4
57.03443	31.5
57.07080	6.9
67.05512	79.6
69.07088	36.2
69.41409	39.0
71.04996	9.5
72.26507	6.1
79.05492	57.0
81.07066	100.0
83.04969	11.1
83.08621	15.0
91.05473	45.7
93.07050	91.6
95.08620	58.9
95.41907	6.7
98.20770	13.6
102.55338	6.7
105.07042	49.3
107.08595	30.3
109.10165	18.1
117.07037	18.4
119.08597	32.0
121.10157	41.4
131.08572	35.3
133.10146	22.9
135.11690	12.8
143.08664	7.0
145.10149	32.4
147.11708	23.8
157.10100	8.4
159.11710	16.2
161.13312	10.3
163.14819	7.1
171.11739	10.9
173.13268	13.3
185.13341	11.1
195.31818	6.6
199.14952	8.3
233.19630	6.4
239.16466	22.0
241.14325	11.6
241.17976	7.7
298.43387	6.8
335.25745	43.5
425.34372	14.8
443.34845	12.0
499.37839	24.0
501.35791	11.4
502.42563	6.9
517.39032	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57187	1.5
53.03954	2.6
55.05303	1.4
55.05514	14.2
57.03439	48.7
57.07077	2.1
61.02926	3.3
62.10643	1.3
65.03924	2.2
67.05508	48.7
69.03429	3.0
69.07074	9.8
69.33990	11.9
71.01347	5.8
71.04971	1.8
73.02906	1.3
74.60325	1.4
79.05494	59.4
81.03413	2.8
81.07059	40.7
82.97238	1.3
83.04989	7.5
83.08624	17.1
85.02885	5.1
91.05488	19.6
91.83826	1.2
93.07045	62.4
95.04978	2.9
95.08613	36.3
97.06519	4.8
97.10217	1.8
99.08072	1.7
100.54790	1.4
105.04537	1.6
105.07024	15.1
107.04963	2.2
107.08607	18.3
109.10153	10.6
111.08109	1.9
117.07028	2.4
118.33368	1.3
119.08612	11.3
121.10149	57.5
123.08027	2.6
123.11723	2.2
125.09599	2.1
131.08571	12.7
133.10150	7.5
135.11710	6.8
139.11179	16.5
143.08617	2.1
145.10117	6.8
147.11702	3.6
149.09612	3.5
149.13255	5.1
159.11697	3.4
161.13266	3.9
163.14856	2.1
167.10690	13.3
171.11755	1.5
173.13275	6.1
176.40263	1.4
185.11732	3.3
185.13298	1.4
187.14803	1.8
193.05034	1.4
201.17000	1.4
239.12755	3.8
241.14357	100.0
242.14569	2.0
243.21106	5.2
251.75771	1.7
261.22147	17.2
279.63135	1.5
335.25803	40.2
409.31125	3.7
501.35800	48.5
502.35785	2.3
519.36737	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	698.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.05513	15.6
57.03442	41.1
57.29420	1.6
61.02931	2.2
67.05177	2.9
67.05509	38.2
69.03428	2.0
69.07070	12.8
71.01357	7.3
71.01705	1.7
71.04984	4.1
71.48965	3.1
79.05499	50.9
79.98714	1.5
81.03406	4.1
81.07060	38.7
83.04971	4.9
83.08635	17.0
85.02922	1.9
85.06557	2.5
91.05491	20.3
93.07051	66.1
95.04951	3.5
95.08617	32.1
97.06539	2.1
99.08064	1.9
105.07049	9.4
107.08595	16.7
109.10172	9.2
117.07008	4.4
119.08582	8.9
121.10149	50.7
123.08082	3.4
123.11726	3.5
131.08545	12.2
133.10135	7.2
135.11690	6.7
139.11183	12.9
145.10149	4.8
147.11661	4.9
149.09633	5.5
149.13289	6.9
159.11707	6.3
161.13281	3.8
163.14789	2.4
167.10689	15.0
173.13260	3.8
177.56169	1.6
239.12773	4.6
241.14366	100.0
243.21138	4.0
261.22144	13.0
316.82397	1.7
317.24908	2.2
335.25839	36.5
336.26083	2.3
339.09586	1.8
345.10474	1.7
345.14767	1.8
389.73511	1.8
501.28680	3.2
501.35724	43.6
502.35956	2.8
518.38727	1.8
519.36670	2.5
579.60095	2.2
670.88196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12290	0.7
53.03940	1.5
55.01860	1.1
56.06059	0.8
65.00129	0.7
69.03432	3.9
69.55309	4.6
70.06589	2.5
71.04979	0.8
79.05469	0.9
81.03416	9.9
81.07067	1.4
84.04514	1.0
84.08138	0.8
85.02902	5.4
86.09696	1.1
87.00826	0.7
91.04910	1.6
91.05484	30.9
97.02899	5.2
98.59026	0.7
99.04458	2.9
105.07052	1.8
107.04964	11.0
107.08599	0.7
109.02879	8.5
115.05495	1.8
117.07059	2.2
119.04950	1.7
127.03922	12.1
129.10170	0.8
131.04955	1.8
133.06531	1.6
136.07565	0.7
137.05980	6.2
143.04904	1.0
145.02834	1.0
145.04956	3.3
145.06485	1.1
147.04375	0.9
157.06267	0.8
159.90817	0.8
161.05991	10.1
167.07043	0.8
169.04961	1.3
171.04379	1.6
173.06033	0.8
175.07608	1.4
177.05508	2.3
179.07045	4.1
179.08432	0.7
187.06030	1.5
189.05446	1.1
201.05281	4.6
209.04338	2.0
213.09250	1.2
227.05299	3.2
235.08197	0.7
237.09058	0.9
247.05791	27.3
253.06889	1.4
269.06308	1.6
287.07333	5.9
289.06836	15.9
289.09738	1.4
327.56970	0.8
333.09958	0.8
366.84262	0.7
373.09131	5.4
415.10019	28.0
433.11075	13.6
475.12140	51.2
476.12277	1.2
493.13208	72.2
494.13528	2.7
681.18011	1.9
699.18945	100.0
700.19751	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
57.64328	0.9
69.03429	4.4
69.79876	5.7
70.06600	3.7
71.05000	2.3
81.03424	10.0
81.07054	1.3
85.02906	7.3
86.09728	2.4
91.05487	32.4
96.63630	1.0
97.02898	5.6
98.21069	3.3
99.04420	2.0
104.68449	1.0
105.07038	1.7
107.04964	17.2
108.05255	1.1
109.02874	8.8
115.05452	2.8
117.07023	2.2
119.04947	2.5
127.03928	14.5
131.04942	1.9
133.06526	2.1
136.07590	1.3
137.06004	7.3
143.04941	1.4
145.04996	3.8
145.06476	1.1
151.03905	1.1
161.06004	15.3
169.05000	1.5
171.04430	2.8
175.07503	1.9
177.05498	2.3
179.07059	3.7
187.06009	1.4
191.03181	2.9
201.05269	5.2
213.09039	1.3
227.05241	2.9
229.04552	1.1
247.05786	29.3
253.06842	1.5
269.06259	1.9
277.08936	1.0
287.07474	5.3
289.06824	17.0
307.09882	1.4
333.27969	1.2
373.09009	5.4
415.10010	32.8
433.11063	12.1
475.12186	57.3
493.13205	78.8
494.13687	2.1
543.17120	1.0
546.96948	1.2
639.17041	1.5
681.18164	3.0
699.18970	100.0
700.19293	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	699.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01569	0.4
51.02378	0.5
53.03950	5.0
55.01875	0.5
55.05507	1.0
56.73091	0.4
57.03445	2.5
57.39196	0.4
67.05486	0.5
69.03423	3.7
70.06588	1.9
70.42820	0.5
70.43147	1.2
71.04998	12.3
72.08156	0.7
72.30378	0.4
75.04070	0.4
75.04486	0.5
77.03936	0.8
79.05488	2.9
81.03421	9.4
81.07044	1.3
83.04973	2.0
84.08138	0.9
85.02908	15.1
86.09717	0.8
87.04422	0.6
91.05478	1.6
93.07043	0.8
95.04981	3.4
95.08627	0.8
97.02886	7.5
99.04457	1.9
103.03907	0.6
103.05459	0.6
105.03394	57.6
105.04533	1.9
105.07024	0.6
105.20381	0.4
106.03723	0.7
106.26964	0.4
107.04942	1.8
109.02882	6.0
109.06503	0.5
111.00826	0.5
111.04449	1.4
119.04930	0.7
119.08610	0.6
121.02851	3.0
121.06519	0.5
121.10114	0.5
123.04422	3.9
123.94286	0.4
127.03931	7.0
128.86711	0.4
129.05452	2.3
129.10168	0.4
131.04924	0.6
133.02856	0.8
133.10190	0.7
135.04451	0.8
137.02361	0.6
137.05980	4.4
145.04984	2.1
145.06441	0.8
147.04410	1.5
147.06448	0.6
151.03899	1.2
153.00752	0.4
153.01825	2.5
157.06483	0.5
161.05949	0.5
161.13249	0.4
163.03862	2.3
165.01819	1.2
165.05519	0.8
167.07021	0.9
175.07544	0.8
177.05620	0.8
185.06021	0.8
191.06949	0.7
197.19305	0.4
207.06586	0.6
213.05487	1.3
231.06610	1.6
249.05048	0.7
249.07584	11.0
267.08624	3.9
287.05502	100.0
288.05905	2.0
311.05518	0.5
329.06458	1.9
329.09985	0.5
455.69553	0.4
530.57916	0.6
699.25073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01879	4.4
57.03442	3.4
61.02925	4.0
65.37763	0.5
66.62470	0.4
68.99784	2.1
69.03436	16.2
70.06594	3.6
71.04988	2.2
72.08187	1.0
73.02930	4.5
79.05460	0.6
81.03422	15.6
81.07039	0.9
83.01360	0.6
84.04478	0.5
84.08142	2.0
85.02909	40.7
86.09695	2.0
87.00832	15.4
91.03951	1.0
91.05475	1.2
95.08604	0.7
96.91618	0.5
97.02898	14.4
98.03181	0.5
99.04462	6.2
103.03914	0.7
105.01875	10.6
105.07049	1.2
107.04943	1.5
108.04507	0.8
109.02129	0.9
109.02878	13.8
109.10180	1.0
110.07147	1.0
115.03938	1.0
117.01837	1.5
119.04971	1.0
120.08064	0.6
127.03928	24.6
129.01860	2.2
129.10341	0.5
131.04930	1.2
136.07626	1.2
137.05978	2.4
145.02936	0.8
145.04967	10.6
147.02937	1.4
147.04422	1.4
151.03952	0.6
151.07561	0.9
152.06194	0.6
159.02896	7.0
161.06001	5.1
163.04279	0.4
165.07028	1.0
167.08511	0.9
168.89760	0.5
175.07520	0.5
177.04063	0.6
177.05496	1.9
178.00137	0.5
180.08781	0.8
181.06496	1.0
183.08015	0.9
189.03903	1.5
194.07333	0.9
195.08044	4.6
196.08804	2.8
197.06012	1.2
197.09624	0.5
199.07597	0.6
209.09641	1.1
210.06796	0.8
211.07564	1.1
212.08351	4.8
213.03960	1.2
213.09114	3.7
216.13934	0.6
222.06842	0.8
223.07527	2.9
224.08321	4.7
225.05589	0.7
225.09079	3.3
226.09863	0.7
227.07196	2.5
227.10657	9.2
231.05055	5.6
231.07480	0.6
231.08014	0.6
236.08336	0.9
237.09102	4.5
238.09892	2.8
239.07014	1.6
239.10484	0.7
240.07851	4.2
241.08601	6.2
241.12318	0.7
242.06990	1.1
242.09380	16.0
243.06557	1.3
243.10149	0.7
249.05934	1.4
249.09065	1.0
250.09341	0.6
251.07108	1.0
251.10710	1.8
253.08691	4.0
254.09421	1.7
255.10184	29.5
256.10675	1.4
257.07971	0.9
258.08871	5.7
261.09039	0.8
265.08630	4.1
265.11380	0.6
266.09412	6.7
267.10065	1.2
269.08167	1.5
269.11752	2.6
271.09659	6.6
272.10410	4.7
273.11224	100.0
274.11548	2.0
276.11533	0.7
277.08551	0.9
278.09387	1.5
279.10089	2.0
279.13480	0.8
280.10880	1.3
281.08090	1.2
281.11703	0.7
282.08771	2.9
283.09686	2.3
284.10425	11.3
285.11157	2.3
289.08905	0.6
291.10101	1.1
292.10956	0.6
293.11755	2.8
294.08878	0.9
295.09692	0.9
297.11221	32.3
298.11652	1.2
304.10815	0.6
306.09030	0.7
307.09741	0.8
307.13348	1.2
308.10272	1.0
309.11426	2.6
311.12784	2.3
315.12274	26.7
316.12689	0.8
317.11688	1.1
319.09592	0.6
321.11200	2.3
323.12842	0.7
325.10681	0.9
335.12567	5.0
337.10815	0.8
339.12296	20.3
351.12424	1.0
353.13568	2.5
363.12271	9.1
381.13351	13.6
389.76172	0.6
399.14413	3.0
435.16367	1.0
439.13940	0.5
467.13531	2.6
485.14453	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	700.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67007	1.1
55.05518	5.9
57.03430	4.3
57.07081	38.0
59.08755	1.1
60.08181	2.2
61.02934	13.1
63.79910	1.1
65.67738	1.0
67.05511	11.2
69.07063	8.1
71.08634	32.0
71.51439	1.7
73.02903	5.3
80.01824	1.2
81.07067	18.0
83.08617	8.1
85.02906	17.1
85.10187	18.0
86.09711	6.8
89.28745	1.3
91.03962	11.1
93.07057	1.4
95.08612	24.4
95.48631	1.5
97.02895	7.2
97.10189	8.5
99.11784	1.2
109.10161	10.6
111.11720	4.7
115.03949	1.2
123.11720	4.7
123.79874	1.2
124.99998	4.3
127.03911	4.8
132.30110	1.1
137.13266	1.7
140.06892	1.0
145.04974	7.5
163.06033	10.9
184.07358	21.4
213.88898	1.1
237.17430	1.3
249.25702	1.4
267.26852	23.9
272.83188	1.2
285.27945	2.7
341.30530	100.0
342.30771	2.4
359.31607	24.4
365.45520	1.2
397.96426	1.4
555.66272	1.2
569.83923	1.3
609.23193	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	700.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.01880	0.7
55.05513	13.2
57.03436	9.6
57.07077	3.1
59.04996	1.4
61.02927	3.8
64.84493	0.5
65.03930	2.5
67.05505	59.5
69.03430	1.3
69.06718	1.0
69.07069	8.5
69.52654	4.3
71.05002	5.7
73.02931	1.3
73.06556	0.7
73.14528	0.6
79.05495	22.9
81.07057	100.0
82.07375	1.0
83.04976	1.4
83.08620	5.7
83.77381	0.5
85.02913	3.7
85.06544	9.5
87.04462	0.9
91.03959	1.9
91.05484	13.5
93.07046	23.2
95.04987	1.3
95.08612	24.2
97.02907	1.9
97.06535	2.0
97.10192	2.1
99.04460	0.6
105.07033	9.1
106.24416	0.6
107.08595	15.1
107.12605	0.6
109.03025	0.6
109.06521	1.2
109.10160	12.1
115.18342	0.6
116.26875	0.5
117.07027	3.0
119.08586	5.6
121.10150	10.3
123.08061	1.0
123.11711	14.6
131.08569	5.9
133.10138	11.2
135.11699	6.6
137.13243	0.9
139.11230	1.2
145.10152	2.7
147.11673	3.2
149.13268	2.6
151.11174	4.5
159.11671	3.4
161.13255	2.4
163.14833	1.5
169.12273	2.6
173.13264	2.9
175.14915	0.8
184.07349	0.6
187.13319	8.6
187.14832	0.8
203.12735	0.7
215.20074	0.6
241.14276	2.8
243.15927	67.5
243.21022	4.0
244.16318	0.9
261.22144	12.7
262.36041	0.8
317.24832	2.5
335.25800	63.9
336.26141	1.5
347.16858	0.6
367.84482	0.6
391.21887	0.7
408.16562	0.6
411.32632	1.1
485.37054	0.8
503.37320	50.5
504.37524	2.3
505.08115	0.7
521.37982	1.5
690.16571	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05513	6.7
56.05036	4.1
57.07076	2.7
60.04515	2.1
67.05509	12.8
69.03419	1.2
69.07071	7.5
69.65756	0.8
69.81268	3.3
69.81677	1.7
70.06589	1.3
71.08634	1.3
76.04721	1.0
79.05499	10.0
80.05015	3.6
81.05782	1.1
81.07063	11.3
82.06589	7.4
83.08630	4.4
85.02898	2.5
85.91720	0.8
91.05483	8.3
93.07053	12.1
94.06573	20.0
95.07359	10.7
95.07900	1.4
95.08617	8.0
96.08134	5.7
97.02910	0.9
97.10154	2.1
98.21438	1.2
105.07020	6.2
107.08594	6.1
108.08098	3.3
109.10146	2.8
111.11624	0.9
113.10040	0.8
119.08566	5.8
119.63267	0.9
121.10159	5.7
122.09650	2.7
123.11704	1.2
133.10126	3.3
133.18567	0.9
135.10492	0.8
135.11688	3.7
147.11642	1.1
149.13246	1.7
161.13324	1.1
205.19603	1.0
219.21065	4.0
220.20743	1.1
231.21088	5.1
233.96146	0.8
234.22166	2.3
236.23778	8.5
248.23746	100.0
249.24196	1.6
250.25249	1.1
256.20511	1.1
262.25275	2.0
266.24759	6.5
272.25851	5.6
273.60898	0.8
281.85724	0.9
435.83109	1.2
490.46216	3.4
502.46259	26.1
504.47986	5.4
520.40149	1.1
520.47369	14.5
682.51892	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	701.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.5
53.03947	5.4
55.01874	3.0
55.05516	0.8
57.03436	0.9
63.68538	0.4
65.03949	2.5
67.05513	0.9
68.99793	0.7
69.03431	3.0
69.19287	4.6
70.06589	0.7
71.01345	0.6
71.04989	3.2
73.02929	0.5
73.92107	0.5
79.05505	1.9
79.90879	0.5
81.03421	91.2
81.07063	1.3
82.03756	1.3
83.01349	0.8
83.04988	1.3
85.02910	15.9
91.05486	100.0
92.05819	1.1
93.07055	1.0
94.85076	0.5
95.01298	0.7
95.04976	1.2
95.08648	0.5
96.16740	0.4
97.02895	5.0
99.04462	14.0
99.05128	0.8
100.28069	0.4
103.03964	0.9
103.05453	1.7
105.03392	0.9
105.07040	3.8
107.04954	1.2
107.08583	1.2
109.02885	49.7
109.06554	0.5
109.10159	0.5
111.04435	1.2
115.05455	18.8
115.20966	0.5
115.21787	0.5
117.07025	36.3
118.07341	0.9
119.04952	26.4
119.08598	1.0
121.10041	0.5
123.04481	0.5
125.02335	1.8
127.03922	54.0
128.06247	0.5
128.33591	0.4
129.07021	2.5
131.04938	1.4
133.06499	9.6
137.05956	0.8
139.03860	1.3
141.05473	5.4
141.06978	1.4
143.04932	12.7
143.08545	1.3
145.04977	2.6
145.06488	13.4
145.10147	1.1
147.04393	2.1
151.03906	0.8
152.06303	0.5
153.06975	2.5
155.03394	0.8
155.04933	0.6
155.06062	3.0
155.08542	1.7
157.06493	1.7
159.04449	1.3
159.08083	0.6
161.05988	45.0
162.06342	1.0
165.06984	1.1
167.08553	1.8
169.04982	22.6
169.06352	0.8
169.10184	0.5
171.04419	17.1
171.08026	1.9
173.05968	0.9
179.07057	7.1
179.08556	1.0
181.06491	3.6
183.08041	2.7
185.05922	1.1
187.06001	5.1
189.05470	23.1
195.08072	3.4
197.04367	0.5
197.05942	1.0
197.09615	0.8
199.07547	2.8
201.05438	0.7
203.06969	1.3
205.06488	1.0
207.06514	2.2
207.08200	0.5
209.05988	6.5
211.05956	1.2
211.07550	1.3
217.04968	4.2
223.07565	4.7
225.09123	1.8
227.07083	2.2
229.04831	0.8
229.07010	7.3
231.06351	0.6
235.05994	1.7
241.08618	3.2
243.10297	0.6
245.08008	1.1
251.07018	3.7
255.06509	0.8
257.07953	0.5
269.05295	0.7
269.08102	11.8
287.09158	5.0
289.09171	0.9
293.07925	0.5
297.07648	2.3
315.08643	8.5
329.10242	0.9
333.09540	1.9
347.11121	1.4
357.09659	0.9
375.10828	4.0
393.11749	1.4
417.11359	0.9
435.13007	2.3
477.13730	1.2
523.14044	1.1
701.19940	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.8
53.03951	8.2
55.01881	3.3
57.03436	1.5
65.03947	1.6
67.05495	0.7
69.03427	3.5
69.71943	0.5
70.06587	1.2
71.01348	0.8
71.01762	1.0
71.02103	0.7
71.05019	3.0
79.05502	0.6
81.03421	99.8
82.03745	0.9
83.01340	1.0
83.04977	1.5
84.08164	0.8
85.02909	16.7
86.09724	0.7
86.56315	0.6
91.05485	100.0
92.05817	0.7
95.01320	0.7
95.08609	0.8
97.02891	5.5
98.21152	1.2
99.04465	14.5
103.03943	1.9
103.05466	1.7
105.03402	1.0
105.07018	2.6
106.14437	0.6
107.04945	2.1
109.02885	55.4
110.03188	0.6
111.04424	1.1
115.05455	20.3
116.38657	0.6
117.07022	39.6
119.04948	27.9
121.14893	0.6
125.02352	2.0
127.03925	62.7
128.04242	0.9
129.07005	3.0
129.10272	0.6
131.04929	1.7
133.06500	7.9
137.06013	1.5
139.03970	1.1
141.05470	6.1
141.07010	1.3
143.04936	13.9
143.08612	0.8
145.04961	2.9
145.06482	14.7
147.04459	3.3
151.03955	0.7
153.01843	0.7
153.06996	2.0
155.06033	2.6
155.08548	1.3
157.06483	2.1
159.04424	1.1
161.05986	48.7
162.06348	0.8
163.07559	0.7
165.06976	0.9
167.08525	1.6
169.03560	1.2
169.04988	24.5
169.06395	1.2
171.04408	18.2
171.08047	1.7
175.07515	0.8
179.07057	10.2
181.06480	4.5
183.08102	3.5
185.06010	1.5
187.06033	5.9
189.05466	27.9
191.07106	0.7
195.08064	2.7
197.05969	1.4
199.07472	1.8
201.05467	0.9
203.07048	1.7
205.06540	0.7
207.06488	2.3
209.06015	7.2
209.76694	0.6
211.07617	1.4
213.09076	0.6
217.05054	5.1
223.07530	5.0
225.09106	2.1
227.07040	2.8
229.07047	9.8
233.73758	0.6
235.06035	1.5
239.06961	1.0
241.08624	3.0
243.10182	0.7
245.08029	1.5
251.07127	3.1
255.06503	1.1
257.08142	1.2
269.05319	0.8
269.08121	14.6
287.09195	5.9
289.08975	0.7
297.07675	3.4
311.08984	0.9
315.08615	9.8
329.09979	1.5
333.09506	2.0
347.11026	1.2
357.09485	1.0
375.10760	6.3
389.12210	1.0
392.34930	0.8
393.11688	1.1
435.12704	2.3
523.14435	1.0
701.19922	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	701.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
53.03948	8.0
55.01881	2.0
57.03444	1.4
58.10740	0.5
61.02930	0.8
65.03954	1.9
68.99830	0.7
69.03433	2.8
71.01355	0.8
71.05004	2.9
78.75043	0.5
80.29405	0.4
81.03426	84.6
81.07102	0.7
82.03783	0.7
83.01366	1.1
85.02916	13.4
86.09744	1.1
91.05490	100.0
92.05829	1.1
94.22391	0.6
95.42180	0.7
97.02917	5.1
98.20681	0.9
99.04463	12.4
103.03947	0.7
103.05497	1.3
105.03385	0.7
105.07023	2.8
107.04984	1.5
109.02890	45.5
115.05463	17.5
117.07030	35.7
119.04953	21.2
125.02360	1.5
126.17296	0.5
127.03928	56.1
128.04312	0.7
129.07021	3.1
131.04945	1.5
131.08615	0.8
133.06499	7.9
137.05994	0.9
141.05487	5.4
141.07039	1.2
143.04935	11.2
143.05992	1.1
143.08521	0.8
145.04977	2.2
145.06493	15.4
147.04405	1.6
153.06961	1.8
155.03429	0.8
155.04912	0.7
155.06068	2.1
155.08586	1.0
157.06480	2.0
159.04401	1.4
161.05994	43.3
165.07011	1.5
167.08565	1.7
169.04997	21.5
169.06404	1.1
171.04419	17.2
171.08070	1.5
173.05984	0.8
173.36375	0.5
175.07608	0.9
179.07065	8.3
179.08549	1.2
181.06540	3.0
183.08052	3.1
185.06030	0.6
187.06039	4.5
189.05482	25.3
191.06978	0.7
195.08051	3.4
197.06017	1.7
197.09572	0.6
199.07562	2.4
201.99721	0.5
203.07016	1.9
207.06596	2.8
209.06030	6.1
211.06079	1.7
213.05530	0.5
217.04964	3.8
217.08417	0.6
223.07530	4.0
225.09137	2.5
227.07057	1.7
229.07066	8.3
231.06497	0.7
235.05925	1.1
241.08725	2.6
245.07961	1.4
251.07033	3.7
257.08182	0.9
269.08096	9.5
283.85300	0.6
287.09158	5.6
289.09067	1.0
297.07617	2.6
315.05295	0.7
315.08658	8.0
329.09924	1.1
333.09796	1.7
347.11136	1.3
357.09424	1.1
373.48553	0.7
375.10590	4.6
393.11658	1.0
417.11472	0.9
431.18942	0.6
435.12967	2.6
495.15097	1.0
523.14606	1.0
564.92761	0.7
701.21381	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58791	1.5
53.03930	2.6
55.01871	5.0
55.05515	47.6
57.03438	13.5
57.07065	1.8
57.78001	1.3
61.02925	2.0
61.59665	1.5
67.05507	45.5
69.03427	5.2
69.07067	13.1
69.29591	11.9
73.02902	2.1
79.05070	2.8
79.05494	35.1
81.06590	2.9
81.07058	45.8
83.04975	3.4
83.08624	27.5
85.02912	2.7
85.06547	2.5
86.09711	2.7
88.84785	1.4
91.05484	15.3
93.06490	1.9
93.07053	31.1
95.08604	25.3
97.02889	2.4
97.06572	1.4
97.10169	58.8
98.21597	1.7
104.03065	1.3
105.07020	9.3
107.08596	34.2
109.10157	14.6
111.08080	3.7
117.07014	4.3
119.08568	7.3
119.86412	1.4
121.10136	12.2
123.11707	4.4
124.85180	1.5
125.09633	58.5
131.08533	7.2
133.10136	4.9
135.08052	6.1
135.11684	8.2
137.04265	1.4
137.91542	1.4
143.10611	1.9
145.10136	5.1
147.11703	4.1
149.13271	4.3
153.09102	4.4
157.10167	2.1
159.11668	4.0
161.13264	3.7
163.14853	3.0
170.04520	1.5
171.10176	6.4
173.13290	3.8
177.06560	1.9
177.16399	1.5
184.07393	5.4
187.14827	1.3
189.11215	39.5
224.09372	1.4
227.12785	78.2
227.30592	1.3
243.21155	7.0
245.13855	100.0
261.22131	24.6
279.23026	2.3
317.24692	2.6
335.25824	65.5
336.25983	1.8
431.31723	1.9
487.33670	7.6
505.35275	37.0
523.36798	2.9
527.37268	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06118	2.1
53.03939	3.7
55.01860	5.0
55.05516	51.0
57.03438	14.2
57.07085	3.6
61.02926	4.7
65.03933	3.5
67.05511	58.5
69.03422	8.0
69.07069	18.3
71.08633	3.0
71.51353	3.5
73.30202	1.9
77.61496	1.9
78.99083	2.1
79.05499	39.8
81.07059	44.6
83.04991	4.5
83.08619	28.7
85.06567	2.3
86.09726	3.6
87.04466	3.4
89.06036	5.1
91.03968	2.1
91.05466	15.0
93.07050	35.5
95.04996	3.0
95.08617	26.6
97.06564	3.3
97.10175	65.0
105.07034	9.3
107.08595	35.9
109.10176	17.8
111.08109	2.9
117.07030	8.7
119.08596	6.8
121.10143	17.1
123.11714	2.5
125.00011	2.5
125.09637	56.8
131.08554	4.8
133.08624	4.0
133.10152	7.7
135.04285	2.1
135.08081	5.8
135.11674	13.3
143.10675	2.3
145.10126	5.5
147.11682	3.9
149.13261	7.1
153.09163	2.5
159.11674	4.4
163.14828	5.4
167.08685	2.2
171.10182	6.5
173.13260	4.3
184.07321	9.7
189.11220	44.0
225.34651	2.0
227.12799	77.7
227.20081	19.6
243.21107	6.3
245.13866	100.0
261.22162	27.2
279.23148	3.0
299.23804	2.9
313.27557	2.6
317.24765	3.3
329.25031	2.5
335.25806	88.3
431.31735	2.9
487.34036	5.9
505.35300	65.6
670.17456	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	703.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25665	1.1
53.03948	6.3
55.01871	3.3
57.03408	1.5
57.46529	1.1
61.02924	1.2
69.03439	11.7
69.41368	1.0
69.55198	1.0
71.04995	4.2
73.02921	1.2
74.40978	1.2
79.05510	2.4
81.03423	51.7
83.04967	1.2
85.02911	24.4
91.05486	54.6
92.05827	1.4
95.04955	1.6
97.02879	10.2
98.21290	8.7
99.04471	11.4
103.03930	2.5
103.05479	2.6
105.07027	4.5
107.04962	66.2
109.02885	39.2
115.05461	5.3
117.07040	10.5
119.04980	2.7
121.02887	3.0
121.06542	2.9
127.03924	100.0
129.07045	2.1
131.04942	5.7
133.06532	5.5
137.06001	1.9
141.05518	1.1
141.07010	2.2
143.04912	4.5
145.04996	9.9
145.06471	19.3
147.04388	2.2
147.08095	2.9
149.06013	3.9
151.03932	1.7
154.55202	1.4
157.06578	1.7
159.08075	2.4
161.05988	34.9
161.07275	2.4
167.08545	1.7
169.05022	11.9
169.06409	2.1
171.04379	13.3
171.05545	1.3
173.05966	10.6
178.07755	2.2
179.07057	5.7
179.08575	3.0
182.07204	1.7
185.06003	2.4
187.06033	9.9
187.07581	5.1
189.05496	3.3
191.07069	3.7
193.10155	1.2
195.08156	2.7
197.06055	3.7
197.09627	15.9
199.07544	1.4
203.07069	1.4
207.08122	1.5
215.07120	7.7
221.07904	2.1
221.09668	3.7
223.07607	1.5
225.09180	1.6
229.07051	10.3
233.08119	3.9
249.09138	3.6
251.09254	1.6
264.97183	1.3
265.92340	1.2
267.10217	7.9
269.07983	1.7
277.08646	8.7
285.11401	2.1
287.09149	1.6
291.10114	1.7
295.09702	1.7
305.11380	1.4
323.09076	2.2
347.11148	2.0
375.12186	2.7
393.12918	2.8
411.14307	2.5
467.85086	1.3
481.14835	1.4
523.17444	4.3
530.72382	1.1
541.18274	2.6
583.17767	1.4
591.56085	1.4
643.20154	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01863	0.6
55.05505	2.4
55.31966	0.5
56.05032	2.6
60.04527	1.3
64.99236	0.5
67.05486	0.8
68.05037	0.6
69.03425	2.6
70.06590	1.1
71.50365	0.8
72.08159	22.9
76.14980	0.5
80.05012	1.9
81.03406	2.7
82.06568	1.9
83.06065	0.6
84.04503	9.4
84.08146	82.0
85.02894	0.7
86.62462	0.6
96.04494	16.6
97.02901	3.1
98.06064	7.6
99.04480	1.5
101.10796	3.2
102.05547	1.6
102.09172	1.0
109.02878	4.4
110.06061	0.6
111.09235	0.5
112.07654	0.7
114.05491	0.7
126.05521	16.9
127.03960	1.6
129.10245	58.0
130.05006	1.5
130.08629	2.2
130.10628	0.8
138.05507	100.0
139.05937	0.7
142.82700	0.6
144.06564	18.1
144.10204	28.8
147.11249	2.5
149.10800	0.9
155.11736	0.6
156.06577	0.5
167.11842	2.5
168.06578	16.4
171.01532	0.5
186.07619	9.5
191.11838	1.0
194.12936	0.8
195.11292	10.2
200.14046	0.7
201.12318	7.0
202.12596	0.5
218.15009	40.3
223.10860	0.6
240.13445	4.1
241.11815	0.8
258.14508	16.7
266.15021	0.8
284.16061	1.0
329.17090	13.8
347.19308	16.1
347.23517	0.8
357.16534	6.7
397.44498	0.6
429.23502	2.1
518.28217	10.3
561.31024	0.6
685.33978	1.1
703.35071	63.0
704.35132	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	703.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58393	2.0
53.03944	9.7
55.01874	18.3
55.05514	35.1
57.03445	11.0
57.07069	5.2
59.05008	3.3
60.24864	1.7
65.03941	4.4
65.31935	1.9
67.05507	100.0
69.03435	12.0
69.07073	32.5
69.84571	9.9
71.01344	3.3
71.04995	8.1
73.02896	3.1
79.05496	91.6
81.03426	28.8
81.07063	97.6
83.04989	10.5
83.08625	16.6
85.02917	8.5
85.06568	6.9
89.06049	4.3
91.05488	83.7
93.07048	79.9
93.51894	2.5
95.01337	13.5
95.04986	23.4
95.08614	67.3
97.02903	8.2
97.06528	10.6
97.10165	11.4
99.04466	3.5
101.02399	5.3
103.05463	5.6
105.03428	2.2
105.04568	4.5
105.07038	58.7
107.04961	17.0
107.08600	46.5
109.02892	5.9
109.06531	12.1
109.10175	37.9
111.04492	4.3
111.08096	4.1
113.02400	3.6
115.05489	7.8
117.07018	34.3
119.04962	2.4
119.08593	57.4
119.09459	2.8
121.02882	2.8
121.06528	14.4
121.10150	31.6
121.10945	3.7
123.04465	9.3
123.08096	6.8
123.11727	11.6
125.02318	4.3
125.09655	7.3
127.03947	6.0
128.06265	8.1
129.07021	28.2
130.07796	2.7
131.04974	6.3
131.08583	48.5
133.06531	10.4
133.10129	40.7
135.04425	9.1
135.08095	10.6
135.11688	22.0
137.06030	3.5
137.09648	5.7
137.13332	2.3
139.03940	4.5
141.01923	3.5
141.07004	12.1
142.07794	4.9
143.08577	25.8
145.06480	10.3
145.10135	36.9
147.04417	7.5
147.08076	11.2
147.11702	28.0
149.02382	2.1
149.06046	6.4
149.09660	7.9
149.13254	12.4
151.03911	7.5
151.07634	5.0
151.11237	4.4
153.05482	4.1
154.07797	3.7
155.03391	2.5
155.08566	14.7
155.10651	2.4
157.06546	6.9
157.10124	23.2
159.08107	10.3
159.11700	24.3
161.05972	5.0
161.09671	6.8
161.13287	17.4
163.03964	8.4
163.07613	4.6
163.11252	5.7
165.05511	3.6
165.06975	4.1
165.09235	3.1
165.12872	4.3
167.08578	11.4
168.09351	3.4
169.05000	3.4
169.06439	2.3
169.10118	16.2
171.04451	2.6
171.08133	7.0
171.11682	21.3
173.06015	5.5
173.09705	6.1
173.11870	4.1
173.13315	20.1
175.03973	4.4
175.07521	3.8
175.11249	9.7
175.14864	6.5
177.05475	4.5
177.12769	5.3
179.08572	5.7
181.10214	9.0
183.08145	2.9
183.11707	13.0
185.09706	4.3
185.13258	11.9
186.34718	2.2
187.11230	10.3
187.14891	7.9
189.05539	3.4
189.09154	2.9
189.11253	2.9
189.12875	4.3
193.10219	5.0
193.12311	6.7
195.08131	3.2
195.11797	8.2
195.13838	2.3
197.09671	7.7
197.13312	5.9
199.11276	4.2
199.14903	6.9
201.12810	3.8
201.16508	3.4
205.10370	2.8
205.12286	5.6
207.11830	6.5
207.13739	3.4
209.13338	7.6
211.11237	4.8
211.13161	3.5
211.14937	5.8
213.09259	2.4
213.12860	4.8
213.16454	3.9
215.10646	4.0
215.14410	3.0
217.12325	3.3
219.13806	2.8
221.13414	3.2
223.11180	4.1
223.14972	4.2
225.09113	3.5
225.12895	2.8
227.10667	2.9
231.10245	2.8
233.11765	3.5
237.12903	2.4
241.12419	4.5
241.19604	4.6
243.13972	2.9
243.21371	2.7
245.11646	3.8
247.15013	3.0
255.10155	2.9
259.13577	2.7
259.20630	14.2
261.22202	9.9
267.21344	2.9
269.11783	4.4
273.11081	3.6
273.18610	3.9
277.14587	2.9
277.21686	2.6
285.21899	4.2
287.12894	6.0
289.14413	5.6
289.21957	2.4
291.19684	9.3
301.21930	3.6
303.23361	3.4
305.13934	8.1
307.15460	4.5
314.13422	2.6
315.12445	6.8
315.23416	2.8
323.14969	4.8
327.93259	2.3
333.13553	11.8
333.24359	11.3
335.15155	2.7
335.25870	17.3
351.14386	17.2
371.17212	4.3
375.23505	2.6
407.17459	2.5
425.18317	6.8
427.19815	8.6
435.32449	4.9
453.33466	2.5
509.36664	2.8
527.37469	9.2
529.33124	3.9
539.33923	4.7
551.33447	2.5
565.35547	2.9
575.33990	6.7
593.35010	8.0
611.35815	18.1
613.36938	3.8
623.39246	3.7
625.37549	3.1
629.37024	5.8
639.39008	5.0
667.38538	11.1
685.39581	47.6
703.40533	84.6
704.40588	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	704.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
52.46308	0.4
53.03953	2.9
54.82624	0.4
55.01897	0.9
55.05506	1.7
57.02290	0.3
57.03439	0.8
57.07080	0.4
59.05008	1.4
67.05490	0.9
68.99811	0.9
69.03426	3.1
69.07066	1.1
70.06600	0.8
71.04996	10.6
71.24261	0.5
72.08196	0.4
73.06559	2.9
77.03945	0.4
79.05496	4.5
81.03420	3.7
81.07066	14.9
83.04983	0.6
84.08172	0.5
85.02912	5.8
86.09731	0.6
87.00837	1.3
89.75806	0.4
91.05469	1.8
93.07050	10.4
93.07639	0.6
95.04988	1.5
95.08603	2.2
97.02895	2.9
97.06536	1.0
99.04470	1.4
103.03962	0.8
103.05459	0.6
105.01875	1.0
105.04520	1.0
105.07031	0.7
107.04962	100.0
107.08601	7.5
108.05323	1.3
109.02895	5.0
109.10168	1.3
111.04456	0.9
111.08073	0.5
119.04945	0.6
121.06536	0.8
125.02378	1.8
127.03937	6.1
129.01866	0.8
131.04941	1.6
133.06531	0.5
135.04425	0.4
135.11697	14.0
137.06000	0.6
141.01828	1.1
143.03479	0.9
145.04922	1.7
145.06503	1.2
147.02931	0.6
147.04411	1.0
149.05994	0.9
151.03906	0.6
153.12755	65.2
154.13107	1.0
159.02908	0.6
159.08084	0.5
161.05980	0.9
167.07095	0.5
173.06000	1.5
187.07607	0.8
189.03989	0.7
197.05991	0.5
211.02415	0.8
211.07573	0.6
213.03957	0.8
215.07115	2.7
229.03482	1.2
231.04973	1.9
239.06960	0.8
247.04639	0.6
273.06030	0.6
291.06876	0.4
333.08093	1.6
339.07208	0.5
355.06891	0.7
357.07996	1.2
373.07523	1.8
375.09183	2.1
381.92444	0.4
445.11389	0.8
463.12369	1.5
463.88541	0.4
481.13544	1.2
638.42963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02417	1.5
53.03933	4.6
55.01865	6.3
55.05518	19.5
55.34656	1.4
57.03432	6.3
57.07080	3.5
63.24387	1.6
65.03941	3.7
67.05508	59.6
67.32857	1.4
69.03412	4.1
69.07069	23.8
71.04971	2.7
71.51293	2.4
79.05496	45.5
81.03432	10.4
81.07058	70.2
83.04978	6.1
83.08616	10.7
85.02881	3.6
85.06541	3.9
91.04917	2.8
91.05483	45.7
93.07047	53.0
95.01346	8.8
95.04981	9.6
95.08613	44.8
97.02902	3.0
97.06532	7.2
97.10163	6.0
99.08095	3.1
100.51248	1.5
103.05500	3.4
105.04512	2.5
105.07033	41.6
107.04972	4.9
107.08591	31.4
109.06518	6.9
109.10169	17.8
111.08102	3.3
113.02378	2.5
115.05453	3.5
117.07020	23.1
119.08578	40.9
119.09376	3.1
121.06499	7.0
121.10161	23.9
123.04421	2.2
123.08064	6.1
123.11726	7.8
128.06224	4.4
129.06993	13.9
130.07664	1.6
131.08568	35.5
133.06496	2.8
133.10132	29.5
134.24110	1.6
135.08063	6.0
135.11690	13.0
137.09616	3.5
137.13199	1.9
139.03909	1.9
141.01810	3.7
141.06989	3.9
142.07761	2.5
143.08562	16.6
145.06488	4.1
145.10143	31.1
147.04430	2.8
147.08028	4.1
147.11710	19.5
149.05937	1.7
149.09622	3.9
149.13171	7.4
151.11160	1.9
153.05505	1.7
153.06943	2.3
155.08585	8.4
156.09352	1.6
157.10144	13.5
159.08066	2.4
159.11697	24.7
161.09674	3.0
161.13272	9.8
163.11195	2.7
163.14848	2.4
167.08557	3.1
169.10109	9.6
169.82919	1.7
171.11739	13.8
173.09644	1.7
173.13278	14.4
175.07613	1.6
175.11203	2.4
175.14868	3.6
177.12794	4.1
181.10167	4.5
183.11635	9.9
185.09679	2.1
185.13275	10.9
187.11197	2.0
187.14844	7.6
189.12825	2.4
191.14287	1.9
193.10109	2.1
195.11754	3.8
195.13751	2.4
197.13301	6.1
199.11182	2.0
199.14810	4.6
201.16440	3.1
203.14334	1.5
207.11829	3.0
207.13806	5.6
209.13257	4.6
211.11371	1.8
211.14828	4.5
213.16469	2.1
215.14415	2.6
221.13303	1.8
223.14816	1.8
225.16452	2.8
233.15454	3.0
245.19238	2.5
247.20714	2.4
249.18588	2.7
259.20563	2.9
261.14774	2.1
261.22073	4.7
271.20474	2.0
275.20175	4.2
283.42075	1.6
285.22134	2.8
289.14441	3.9
289.21677	2.0
293.13882	3.3
293.17368	1.9
299.23541	1.8
301.21518	2.6
303.23251	5.3
307.15442	4.8
311.14999	2.9
325.16464	2.6
325.25180	1.9
333.24191	2.0
335.14935	4.6
335.25629	2.1
353.15894	4.7
427.19675	3.2
429.20850	1.8
437.33990	10.6
455.35052	3.1
465.33893	2.3
511.37488	6.7
513.33594	1.7
529.38934	100.0
530.39240	6.1
543.36346	2.4
549.35553	5.0
551.36395	2.1
559.34149	3.3
567.36188	3.3
577.35162	2.6
595.36908	7.5
613.37543	14.8
623.39703	3.2
631.38336	4.4
633.37170	3.1
641.40643	2.6
651.38245	4.4
669.39233	4.7
687.40851	21.5
705.42224	48.6
706.41949	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18177	1.6
53.03940	6.1
55.01863	6.5
55.05266	2.1
55.05514	24.4
57.03429	6.2
57.07055	3.8
61.02895	1.9
62.91458	1.5
65.03943	3.6
67.05509	53.8
69.03416	4.2
69.07070	18.9
70.63789	2.3
70.64147	4.8
71.04980	2.6
79.05498	47.1
81.03413	13.0
81.06596	3.2
81.07061	60.4
82.07365	2.2
83.04981	4.8
83.08633	11.0
85.02904	4.2
85.06541	5.3
91.05485	48.5
93.06483	3.4
93.07047	53.7
95.01336	9.1
95.04946	9.7
95.08613	48.8
96.05298	1.6
97.02869	3.6
97.06512	7.1
97.10147	5.3
105.07037	46.2
107.04967	4.9
107.08606	26.9
109.06511	4.5
109.10168	19.8
111.08082	4.0
111.11684	2.0
115.05478	2.2
117.07033	22.3
119.04984	1.6
119.07809	3.0
119.08591	38.7
121.06506	7.3
121.10152	19.6
123.08064	5.4
123.11706	8.6
125.09660	2.2
127.03898	1.7
128.06200	4.6
129.07031	11.8
131.08574	38.4
133.06483	2.2
133.10146	27.0
135.04390	2.8
135.08037	3.2
135.11693	12.1
137.09590	2.6
139.11206	2.3
141.01816	3.1
141.07019	4.5
142.07756	3.2
143.08578	19.9
144.09299	3.0
145.06480	3.0
145.10138	31.6
147.08034	3.9
147.11717	20.9
149.05946	2.0
149.09541	2.4
149.13248	7.2
151.03906	2.0
155.08574	9.8
156.09380	2.1
157.10162	14.7
159.11700	25.6
161.09587	3.4
161.13264	10.0
162.48564	1.7
163.07451	1.7
163.11156	3.5
167.08591	4.7
169.08974	1.5
169.10150	11.9
171.08087	2.0
171.11665	19.0
173.09653	3.1
173.13246	12.5
175.14783	5.3
177.12761	6.7
181.10077	4.2
183.11705	8.1
185.09630	2.9
185.13297	9.7
187.11076	2.1
187.14810	8.9
189.12674	2.9
189.16383	2.2
191.08586	2.0
192.37589	1.8
195.08102	1.9
195.11720	5.8
195.13708	1.9
197.13271	3.8
199.11098	2.3
199.14830	6.7
201.12743	1.8
201.16464	2.8
207.13777	7.0
209.13315	2.3
211.14894	4.0
223.14934	2.3
231.11571	2.2
233.15350	4.3
247.17078	2.1
257.18942	2.4
259.20624	3.5
261.14917	4.1
261.22113	3.5
271.20816	1.9
275.12787	2.6
275.20068	3.9
285.22165	2.6
289.14319	6.7
291.15787	1.9
293.13849	3.2
299.23743	2.0
301.21582	2.1
303.23297	3.1
307.15292	9.7
311.14893	2.0
325.16495	4.3
327.26801	1.9
333.24261	2.6
335.14731	5.3
335.25830	4.1
339.23099	1.9
353.16052	5.8
367.26962	1.7
419.33289	2.7
427.19672	4.6
437.34241	13.3
455.35022	4.5
477.33862	1.8
495.34103	2.2
497.15210	1.8
511.37701	6.9
513.34369	1.6
529.38916	100.0
530.39600	8.6
531.34222	4.0
541.33441	2.5
549.35492	3.1
559.34247	2.7
567.36938	3.0
577.34998	4.2
595.36353	7.2
613.37402	17.2
615.36713	2.4
623.39191	4.8
631.37506	3.1
651.38342	3.6
669.39532	4.6
687.41028	25.9
705.42163	49.8
706.41956	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	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01880	6.7
55.05239	1.6
55.05512	25.2
55.71960	1.7
57.03450	7.0
57.03680	1.5
57.07084	3.1
65.03931	4.4
67.05509	62.4
69.03423	5.1
69.07072	22.7
69.87443	4.3
71.04979	6.4
75.07503	1.4
79.05503	45.8
81.03414	14.8
81.07061	65.1
83.01353	1.8
83.04988	6.3
83.08628	10.6
85.02912	4.8
85.06541	4.2
91.05486	49.7
93.06481	3.0
93.07050	50.3
95.01324	7.6
95.04963	10.1
95.08615	46.7
97.02897	3.4
97.06525	7.2
97.10165	5.3
99.08128	2.6
105.04510	2.8
105.07041	53.4
107.04974	5.1
107.08590	29.4
109.06514	6.1
109.10165	19.8
111.08094	4.2
113.02390	2.4
115.05462	3.9
117.07021	23.2
119.08587	42.4
119.98260	1.4
121.02797	1.6
121.06519	10.8
121.10153	22.9
121.87926	1.4
123.04453	3.2
123.08070	5.1
123.11705	8.4
125.02349	2.3
125.09627	2.4
127.07492	1.9
128.06241	4.0
129.07011	16.4
130.07745	2.0
131.08578	40.4
133.06494	4.5
133.09149	1.5
133.10138	29.4
135.04456	2.1
135.08081	6.0
135.11696	16.0
137.05952	2.3
137.09639	3.5
137.13251	2.8
141.01839	4.7
141.06993	6.0
142.07776	2.7
143.08565	21.9
144.09418	1.8
145.06496	4.2
145.08377	1.9
145.10133	37.7
146.10600	1.6
147.04346	2.7
147.08076	4.7
147.11688	22.1
149.05974	2.5
149.09624	2.4
149.13264	8.1
150.75185	1.5
151.03961	1.5
151.11227	1.8
154.07845	2.1
155.08549	8.2
156.09360	1.6
157.10136	16.0
159.08105	1.9
159.11700	26.2
160.11986	1.6
161.06020	2.3
161.09607	1.6
161.13257	14.5
163.03928	1.4
163.11182	3.4
165.12875	2.0
167.08612	3.8
169.10141	12.6
171.08034	2.3
171.11717	19.1
173.09650	3.1
173.13264	17.0
175.11205	3.4
175.14862	4.4
177.12784	4.1
179.08519	2.0
180.09465	1.9
181.10107	4.7
183.11734	8.4
185.13242	11.6
187.11198	3.4
187.14819	9.2
189.12782	3.6
193.10181	2.3
195.11705	5.2
197.13240	7.5
199.11171	1.8
199.14806	5.2
201.12762	1.8
201.16368	2.9
205.12216	2.2
205.15775	1.9
207.11781	2.8
207.13817	7.5
209.13231	4.4
211.11089	2.1
211.14828	3.6
213.12773	1.9
213.16315	3.8
217.12355	2.0
219.13902	1.6
219.17455	2.4
223.14861	2.9
225.16440	2.9
227.14455	1.7
227.17900	2.1
247.13298	1.5
249.18585	2.5
257.19138	2.4
259.20602	3.9
261.14862	4.8
261.22205	3.0
271.20416	3.2
275.19971	3.6
285.22119	4.7
289.14481	7.2
291.15881	3.4
293.13931	2.4
297.22119	1.9
303.19913	1.8
303.23245	5.0
307.15439	9.7
311.14905	2.4
311.23715	3.0
317.13937	1.7
325.16547	3.9
325.25311	1.9
333.24295	2.5
335.14941	4.1
335.25656	2.7
338.29626	1.5
341.24713	1.6
353.16010	5.3
417.29880	1.6
419.32846	2.8
427.19748	2.6
437.34253	10.0
455.35101	4.4
465.33469	2.0
473.36124	2.8
483.25793	1.5
483.35086	1.7
485.34885	1.5
511.37720	6.0
513.33374	2.4
529.38934	100.0
530.39624	8.0
531.34766	4.0
549.35583	4.6
551.37781	1.9
559.34155	3.3
567.36633	2.4
577.35553	3.5
585.37738	2.2
595.36621	8.4
613.37347	15.2
623.39044	2.6
631.38165	5.0
633.37683	1.9
641.40540	1.8
651.38800	2.9
669.39752	5.7
687.40991	21.9
705.42090	42.6
706.41693	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01131	1.5
55.01869	6.0
55.05515	20.0
57.03438	6.3
57.07069	3.5
58.10501	1.3
65.03929	2.9
67.05510	50.7
69.03436	4.1
69.07070	22.1
69.52459	10.0
71.05000	4.0
73.06527	1.4
77.03939	1.6
79.05077	2.6
79.05499	41.6
81.03429	9.5
81.07061	63.5
83.05005	4.2
83.08633	10.1
85.02870	2.0
85.06558	2.6
91.05489	46.2
93.07047	42.9
95.01319	7.4
95.04968	9.6
95.08611	46.6
97.02908	2.2
97.06546	8.9
97.10165	4.0
98.21507	2.5
99.08131	1.9
103.05457	1.8
105.04530	1.9
105.07043	40.4
107.04944	4.9
107.08611	26.8
109.06523	5.9
109.10164	19.1
111.08077	3.7
115.05432	4.3
117.07026	21.3
119.08591	35.2
121.06500	5.8
121.10150	21.4
123.04409	2.1
123.08061	4.7
123.11713	8.0
125.09605	2.2
128.06224	4.3
129.07030	12.5
130.07799	1.7
131.04959	1.9
131.08577	33.9
133.06499	2.4
133.10144	26.2
135.08086	5.5
135.11703	13.8
137.09647	3.9
137.13297	1.9
139.03902	2.2
139.11215	2.1
141.01817	4.4
141.07016	3.5
142.07779	4.0
143.08575	15.0
145.06529	2.4
145.10133	30.2
147.04442	2.6
147.08070	3.6
147.11694	18.7
148.12155	1.6
149.05995	2.9
149.09659	3.5
149.13252	8.0
151.11209	1.8
153.07030	2.0
155.08554	9.4
157.10135	12.5
159.08063	2.0
159.11700	25.0
161.06032	2.3
161.09579	4.0
161.13272	10.7
163.03909	1.5
163.07413	1.6
163.11223	1.4
163.14771	1.7
167.08563	3.7
169.10123	9.8
171.08072	1.8
171.11700	14.6
173.09709	1.9
173.13300	15.1
175.11227	3.7
175.14824	5.2
177.12755	4.4
181.10141	6.4
183.11745	6.7
185.09596	2.6
185.13261	12.1
187.14799	7.3
189.12743	1.9
189.16312	2.4
195.11726	4.6
197.13228	7.0
199.11107	2.5
199.14859	6.3
201.12813	3.0
201.16400	2.4
205.15761	1.6
207.11813	3.1
207.13853	5.2
209.13306	3.2
211.14807	4.9
213.12804	1.5
213.16444	2.6
215.14276	2.3
223.14920	2.7
229.12167	1.8
237.16403	1.9
247.16951	2.1
259.20612	2.5
261.22217	4.2
285.22150	4.5
289.14395	4.6
291.16034	2.2
293.13803	3.9
301.21683	2.1
303.23138	5.4
307.15482	4.4
311.14566	1.8
317.24960	2.0
325.16623	2.9
325.25247	2.1
333.24246	2.3
333.87357	1.5
335.14874	3.4
335.25824	2.3
341.24936	2.4
353.15939	4.2
360.70526	1.5
385.19211	1.6
427.19568	4.4
429.20914	1.5
437.34128	9.2
455.35278	3.3
473.36108	3.1
483.34308	2.4
495.33255	1.6
511.37625	5.2
529.38910	100.0
530.39545	8.1
531.34485	2.8
541.32843	1.9
549.35907	4.2
559.34705	2.0
567.36877	3.4
577.35388	2.9
585.37457	2.0
595.35834	4.8
613.37646	11.8
623.39014	1.6
627.36682	1.7
631.37970	6.5
641.40472	2.6
651.39124	2.8
659.41486	1.7
669.39594	6.4
683.19684	1.5
687.30017	1.9
687.40985	19.7
705.42145	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.2
51.02386	1.9
53.03954	12.5
55.01859	3.5
55.05513	22.2
57.03425	6.0
57.07076	4.3
61.02914	1.2
65.03944	6.7
67.05507	87.4
69.03431	24.3
69.07071	20.5
71.01351	1.7
71.04996	57.7
73.02910	1.7
77.03947	2.3
79.05496	70.4
81.03421	55.0
81.07060	100.0
83.04974	14.0
83.08617	9.3
85.02902	6.9
85.06541	9.2
87.04475	4.0
89.06050	1.9
91.05484	67.6
91.71395	1.0
93.07047	70.7
95.04971	12.3
95.08609	37.3
97.02895	12.6
97.06541	9.3
97.10177	3.8
99.04456	5.5
99.08128	2.8
103.05469	1.2
105.04523	2.9
105.07038	38.7
107.04980	3.5
107.08598	31.7
109.02868	12.6
109.06533	4.2
109.10162	16.8
111.04427	7.7
111.08091	2.6
113.05997	1.3
115.05460	1.9
117.07017	14.6
119.08581	18.2
121.06510	3.0
121.10145	22.8
123.08128	2.5
123.11723	12.2
125.06059	1.7
125.09696	1.6
127.03909	8.0
129.05507	2.4
129.07013	5.7
131.08562	19.3
133.06541	2.6
133.10136	28.3
135.08078	3.4
135.11711	13.3
143.08614	4.1
145.06502	1.4
145.10141	7.5
147.11703	10.7
149.09669	3.0
149.13257	16.2
151.11217	9.7
157.10164	5.0
159.11696	14.1
161.13303	5.2
163.11227	1.2
163.14851	1.6
165.12772	3.3
167.08609	1.6
169.10139	2.5
169.12314	3.1
171.06541	1.6
171.08060	1.2
171.11737	3.2
173.04468	15.1
173.09662	1.3
173.13301	4.2
175.11180	3.5
175.14886	1.5
177.12724	7.8
183.11995	2.0
183.13846	8.7
185.09636	1.7
185.13292	1.3
187.13309	17.2
187.14774	1.3
189.12772	1.3
193.12369	3.3
195.13792	8.8
197.09618	1.3
199.11243	1.5
199.14847	1.4
201.14870	4.0
207.13829	1.3
212.39201	1.1
221.15431	1.5
231.13806	1.7
241.17879	1.4
243.16040	1.4
257.17590	3.7
259.20474	1.7
261.22180	5.5
269.17630	1.9
302.08063	1.2
311.20392	1.1
321.17050	2.5
331.17722	1.1
335.25870	5.0
339.18115	10.9
349.27493	5.3
351.18259	1.2
351.23315	1.9
369.24384	3.0
387.25641	1.5
395.20901	2.8
427.23303	3.8
427.28815	1.3
431.03503	1.1
443.27878	1.6
461.29208	2.9
463.58945	1.3
501.39502	1.3
503.37546	5.0
517.38959	10.8
529.38977	3.0
561.41382	5.4
673.42957	7.6
705.45734	55.3
706.46844	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	707.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01879	1.7
57.03427	1.8
61.02931	1.1
65.03937	2.0
68.99798	7.3
69.03432	5.6
69.68545	4.1
70.06562	0.8
72.08150	1.1
79.05499	1.4
81.03412	2.7
83.04970	1.3
85.02908	12.8
86.09687	1.0
91.05489	6.5
95.04977	12.5
97.02885	4.8
99.04482	0.9
105.07035	0.9
107.04961	100.0
108.05244	0.9
109.02884	2.2
111.00815	5.6
111.04494	1.4
115.05486	0.9
119.04946	58.4
121.02884	8.4
123.04432	35.9
127.03926	3.1
131.04924	3.2
133.06500	5.4
135.04408	2.6
137.02332	1.6
139.03908	14.5
141.07028	0.9
145.04933	1.6
145.06487	4.3
147.04417	34.1
149.02382	7.5
149.06004	1.7
151.03911	21.0
157.06465	4.7
161.05991	5.7
163.03912	7.9
167.03395	2.5
169.06447	1.8
171.04402	3.5
173.02321	1.9
173.05908	2.1
175.03912	3.6
175.07481	1.0
177.05426	1.2
179.03389	8.6
181.06474	1.6
185.05975	6.0
187.03903	3.7
187.07501	1.9
189.05457	3.6
191.03435	4.3
193.05127	1.2
195.08083	0.9
197.06015	2.0
199.07632	2.1
201.05493	2.7
203.03412	5.9
203.07021	1.5
205.04942	1.0
211.07561	1.4
213.05499	6.9
215.03442	1.2
215.07018	7.4
216.04161	1.5
217.05034	1.9
225.05467	1.2
227.07030	2.7
229.05006	3.7
230.05797	1.0
231.06525	74.4
232.06909	1.5
233.04451	1.3
239.07062	3.8
241.04982	5.7
242.05745	3.4
243.06528	11.1
244.03766	2.2
244.07426	4.2
245.04533	9.9
245.08087	5.8
253.04747	1.0
255.06508	16.2
256.07095	1.0
257.04419	4.8
257.08038	7.4
258.05203	2.3
265.08755	1.0
267.06497	4.4
269.04434	4.8
269.07684	1.3
271.06152	1.5
273.07571	33.4
274.04794	1.6
275.05502	2.8
279.06482	2.8
285.04285	1.5
285.07614	6.1
287.05502	25.2
295.06259	1.0
297.07657	7.0
299.05478	4.2
303.05084	1.4
307.06155	1.6
317.07739	1.0
321.07510	1.9
323.08752	1.0
325.07129	1.2
335.08865	1.4
345.07361	2.3
347.09082	1.2
349.10870	3.6
361.06995	1.1
363.08640	16.1
364.08875	1.1
373.06891	1.2
373.11093	1.1
377.10257	8.4
381.09915	1.8
389.10223	1.4
391.08032	18.4
393.09668	9.6
401.10190	3.1
403.08026	2.9
403.12552	1.3
405.09668	2.6
409.09201	17.9
419.11197	4.9
421.09079	3.6
433.09113	2.6
499.14056	1.6
509.12057	1.9
527.13177	1.9
545.14471	2.3
715.34296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24406	0.4
67.71355	0.5
68.64459	0.4
71.48956	0.5
71.49351	0.6
76.12932	0.5
82.99865	1.4
94.99815	0.6
101.00880	7.3
109.02866	0.5
113.00858	1.8
119.01931	7.8
122.01362	1.7
127.02437	2.9
127.03200	0.4
128.01360	0.9
129.00256	0.5
130.46761	0.5
131.01898	5.1
137.01898	1.3
139.02420	1.0
140.95000	0.4
143.01903	22.5
145.03470	6.2
147.01402	0.7
149.01874	0.8
153.03992	0.6
155.01892	11.7
157.03464	3.2
161.02966	10.9
167.01909	12.0
169.03416	2.7
171.01439	0.6
171.04985	2.4
173.02980	13.4
173.53104	0.7
175.04507	0.5
179.01875	5.1
185.02965	32.4
186.03101	0.8
187.04518	3.4
191.34435	0.5
197.02968	12.5
199.04596	0.6
203.03981	9.6
203.54100	0.6
209.02951	1.1
211.04500	0.5
214.76360	0.5
215.04030	6.9
221.05042	0.6
224.04527	1.3
227.03973	7.6
233.05000	0.6
239.04007	1.1
245.05083	100.0
246.05258	2.2
254.05661	0.7
257.05072	5.9
263.06149	10.7
275.06128	12.4
276.06268	0.6
284.06717	2.2
286.07742	0.6
293.07187	2.3
305.07190	11.1
328.18451	0.5
333.39294	0.5
335.08173	3.9
347.08194	1.4
365.09317	44.7
366.09454	1.7
383.10278	1.5
425.11411	35.3
426.11469	1.1
437.11334	2.5
455.12585	2.0
573.44318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.5
58.22090	0.4
61.61104	0.4
69.03422	0.7
70.37498	1.4
71.04965	0.5
81.03417	0.7
82.40702	0.5
82.99866	1.2
85.02895	1.5
86.52711	0.4
94.99866	0.6
97.02892	1.0
98.16546	0.4
98.85883	0.4
98.97561	0.5
101.00885	6.4
102.83693	0.4
107.04945	1.3
109.02855	0.4
110.01411	0.7
113.00853	1.7
119.01073	0.5
119.01926	7.1
122.01382	2.8
127.02435	2.4
127.03922	0.5
128.01349	0.8
131.01918	6.6
137.01859	1.9
137.02834	0.6
139.02405	1.6
143.01898	19.9
143.51991	0.6
144.01939	0.5
145.03468	6.6
147.01384	0.6
149.01857	1.1
149.02969	0.5
152.02438	2.4
155.01892	12.3
157.03450	3.2
158.02434	1.0
161.02953	11.5
163.04631	0.5
164.02402	0.9
167.01891	10.2
169.03459	3.5
171.05009	1.8
173.02963	15.9
173.53076	1.1
175.04532	1.0
179.01837	3.8
181.03485	0.6
185.02957	33.4
187.04520	3.2
191.03871	0.5
193.06789	0.4
194.03395	0.9
197.02939	12.9
199.04567	0.5
203.04015	9.4
203.54045	1.0
209.02950	1.4
215.04050	7.6
221.04997	0.7
224.04590	1.2
227.04021	7.8
231.06464	1.0
233.04942	0.6
234.99228	0.5
239.04166	1.0
243.01878	0.5
245.05070	100.0
246.05237	2.6
254.05452	0.5
257.05045	5.0
261.02618	0.5
263.06134	10.9
263.39288	0.4
269.04825	0.4
275.06119	11.7
283.06903	0.6
284.06705	3.4
284.56747	1.1
287.06113	0.6
293.07220	2.4
305.07166	10.2
317.07294	0.7
335.08228	3.1
347.08060	0.6
365.09290	45.9
365.59299	0.9
366.09518	1.8
383.10214	1.8
406.11606	0.5
407.10333	0.6
425.11398	34.2
426.11667	1.3
437.11362	1.9
455.12112	1.7
601.13141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.214
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40096	1.0
71.50108	0.9
71.50514	1.7
82.99871	1.7
101.00859	7.5
106.61210	1.1
113.62893	1.0
119.01945	5.2
122.01409	2.3
127.02467	1.6
128.80070	1.0
131.01906	3.8
137.01952	2.4
143.01904	18.4
145.03485	6.8
155.01880	11.7
157.03488	3.1
161.02991	10.8
167.01894	7.8
169.03468	2.6
171.05074	1.6
173.02997	10.7
179.01907	3.8
185.02934	28.2
187.04558	3.4
194.03548	1.4
197.02982	11.5
203.03833	8.9
203.05580	2.1
203.54161	1.4
206.62305	1.0
209.02907	1.0
215.04050	5.8
227.04089	7.7
245.05092	100.0
246.05315	3.5
257.05127	4.0
263.06131	11.3
269.05142	1.4
275.06067	10.9
284.06754	1.8
293.07120	1.4
305.07184	9.2
335.08191	4.2
365.09442	48.9
366.09625	1.8
367.93018	1.1
425.11432	34.0
426.11520	1.2
437.11343	2.9
455.12485	2.8
489.32971	1.1
546.02643	1.1
692.37781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	1.0
55.05515	4.3
57.03442	3.0
61.02926	5.7
65.03958	0.7
67.05510	5.9
69.03434	5.1
69.07072	2.4
69.19894	7.9
70.21893	0.6
73.02929	3.8
79.05490	5.6
80.05802	0.7
81.03442	3.1
81.07062	7.6
83.08640	1.2
85.02922	4.9
91.03970	3.3
91.05486	3.6
93.07050	6.0
93.52197	0.7
95.04986	1.3
95.08633	4.9
96.45959	0.7
97.02895	4.1
97.06573	0.9
99.04432	1.0
101.02400	1.5
105.07047	4.0
107.08621	4.2
109.02889	1.0
109.10182	2.4
111.04493	0.8
117.07010	1.6
119.08611	2.1
121.10170	3.3
123.11714	0.9
125.09678	1.4
127.03967	0.9
131.08607	1.4
133.10173	1.1
135.11714	1.7
145.10147	1.3
147.11722	1.6
149.09639	0.9
159.11758	1.8
161.13416	1.1
163.11249	1.0
173.13316	1.2
189.11278	1.0
211.09663	1.0
219.82286	0.8
243.08400	1.7
261.22247	1.0
335.25812	1.5
429.17331	3.8
518.44299	0.8
519.29327	8.7
523.40656	0.8
707.39795	100.0
708.40509	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	709.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36316	0.8
53.03943	2.2
55.01865	2.8
60.81677	0.7
65.03944	2.8
67.05510	0.9
67.94933	0.8
68.99780	6.1
69.03439	2.9
71.09673	1.5
74.94567	0.8
79.05486	2.3
81.03421	1.5
85.02914	6.9
91.05489	5.5
95.04967	12.9
95.99436	0.7
97.02888	2.8
103.05449	0.9
105.04533	0.9
105.06967	0.9
107.04963	100.0
108.05307	2.4
109.02887	2.2
111.00832	2.4
111.04462	2.0
115.05463	1.5
116.78986	0.7
117.08706	0.8
119.04950	62.3
120.04070	1.0
120.05231	1.3
121.02874	7.9
121.06530	1.8
123.04438	39.8
123.05344	1.9
127.03920	4.3
131.04944	3.4
133.06488	4.2
135.04424	3.3
137.02394	0.9
139.03911	39.9
141.06987	1.0
145.04861	0.9
145.06497	7.0
147.04417	30.7
147.36713	0.9
149.02354	9.9
149.05957	6.9
151.03915	30.5
157.06512	3.6
161.06035	3.9
163.03926	9.6
165.05489	2.4
167.03387	10.5
169.06500	1.0
171.04408	6.4
173.05997	1.8
175.03925	4.2
177.05450	2.2
179.03410	14.0
181.04950	1.3
182.42151	1.0
185.06018	3.2
187.03922	2.6
187.07549	2.4
189.05473	6.4
191.03404	14.7
191.07031	2.2
193.04955	4.1
197.05948	1.9
199.07523	2.4
201.05537	4.8
203.03403	10.7
203.06921	0.8
205.05003	2.6
211.07610	1.5
213.05501	4.5
215.03452	1.3
215.07082	7.5
217.04922	1.5
225.05438	2.2
226.78340	0.8
227.07040	3.1
229.05045	6.3
231.06546	35.3
232.06831	2.3
233.04550	8.3
239.07057	3.6
241.04851	1.1
243.06563	17.4
245.04486	7.7
245.08139	6.9
251.05402	1.1
255.06528	9.3
257.04465	11.9
257.08026	5.8
259.05927	1.1
267.06540	7.3
269.04501	2.7
269.08148	2.0
271.06100	1.0
273.07581	43.5
274.07986	2.2
275.05521	15.5
275.09125	11.6
279.06659	1.2
285.07608	25.5
285.10706	1.5
287.05524	28.2
287.08884	2.8
288.05927	0.9
297.07626	0.9
299.05460	5.0
299.08853	1.5
309.07632	1.0
379.11801	1.8
393.09665	24.5
403.11963	1.5
405.09561	1.8
411.10751	14.2
421.12897	2.1
423.10745	1.8
440.67218	0.8
455.65613	0.9
529.15417	1.1
547.15997	2.3
555.15527	1.0
559.18066	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.7
52.69218	0.5
53.03937	0.8
57.03423	0.6
64.10626	0.5
65.03933	1.8
66.04729	0.5
67.05499	0.5
69.03414	2.0
70.06605	2.8
70.99409	1.1
72.08156	0.8
77.03915	1.1
79.05476	1.7
81.03425	5.0
81.07038	1.1
84.04478	0.5
84.08146	1.9
85.02908	2.5
86.09711	1.0
89.03911	0.9
91.05488	21.5
94.04180	1.5
95.04977	0.7
97.02910	0.7
99.04436	1.1
103.05479	2.1
105.07036	3.7
107.04961	1.5
109.02860	2.7
109.06551	0.9
111.04448	0.6
115.05473	2.2
117.03345	0.8
117.07016	0.9
118.04165	0.6
119.04953	30.7
119.08587	1.3
120.08095	0.4
121.06524	1.0
122.03674	3.8
127.03939	1.8
128.06232	1.0
129.06992	1.8
129.10233	0.6
131.04918	2.3
132.02057	1.5
132.05702	1.6
133.06491	2.2
135.04402	0.8
136.05182	0.7
137.05986	38.6
144.05734	0.8
145.02853	2.2
145.06494	1.0
147.04419	26.7
147.07983	0.9
149.02318	0.9
149.06013	1.7
151.07426	0.5
154.68941	0.5
155.04951	0.6
157.03995	3.2
159.08064	1.0
160.05240	0.6
161.05981	6.5
163.07585	0.8
164.04688	1.1
167.07068	3.9
171.08022	1.0
172.05206	0.9
175.03918	44.8
175.07523	12.4
176.04358	0.8
177.05478	4.4
179.07062	3.1
179.08337	0.5
184.05202	0.8
187.07538	3.7
190.07788	1.0
191.08595	3.4
191.14203	0.5
192.04092	0.6
199.07509	3.8
202.07790	1.3
203.08533	2.9
207.06540	100.0
208.06792	1.4
211.03685	0.5
218.07254	0.9
219.08118	5.2
220.08841	1.0
231.08035	4.2
232.08902	0.8
233.09546	0.7
234.06728	0.7
235.07416	0.9
236.08351	1.2
247.07544	2.4
248.08363	2.2
251.10706	6.4
253.08574	0.8
259.07544	2.8
260.08337	1.4
263.10669	2.2
265.08606	0.9
276.07761	1.3
277.08566	1.0
279.06927	0.8
279.10132	5.4
280.10684	0.5
291.10175	4.5
292.10809	1.2
293.08136	0.6
295.13257	0.7
296.10333	0.9
297.11426	0.6
300.18024	0.5
302.04160	0.6
307.10034	0.6
308.10385	0.8
309.11401	0.7
311.12823	11.0
317.06601	1.4
317.56354	0.5
321.11252	0.8
323.12790	6.2
339.12387	0.8
341.13989	0.8
351.10767	7.2
369.11676	2.9
498.99158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10347	1.3
53.03955	9.2
55.01867	2.8
55.05276	1.4
55.05515	19.5
57.03446	13.2
61.02911	1.2
65.03918	3.8
67.05508	77.2
69.03438	13.4
69.07076	14.5
71.04986	7.2
73.02914	2.1
73.70472	1.3
79.05499	41.5
80.78387	1.4
81.03423	26.5
81.07060	100.0
83.04987	16.1
83.08631	8.3
85.02897	4.3
85.06560	8.2
87.04465	1.7
91.05489	27.4
93.06487	2.6
93.07052	45.7
95.04958	7.1
95.08610	36.1
97.02904	8.0
97.06525	4.6
97.10188	2.0
99.04448	5.1
99.08109	3.4
103.03950	1.6
105.04515	2.4
105.07037	16.6
107.04965	2.4
107.08603	25.5
109.02892	4.8
109.06521	3.5
109.10163	12.9
111.04447	5.0
111.08108	3.5
115.05478	1.4
117.07046	8.1
119.08601	10.7
121.06480	1.7
121.10145	18.3
123.08092	2.1
123.11720	10.5
127.03909	5.6
128.06190	1.6
129.05496	8.0
129.07021	1.6
131.08588	10.1
132.85104	1.3
133.10138	14.0
135.11688	11.9
137.05937	1.7
137.09604	1.7
145.10103	4.7
147.11697	5.8
149.13268	11.8
151.11186	3.7
157.10153	1.8
159.11681	13.5
161.13257	3.7
169.12256	3.4
173.04495	12.1
173.13330	4.0
175.06096	3.1
177.12781	6.1
183.11732	1.7
185.13307	1.7
187.13275	8.7
195.13809	5.9
229.47464	2.2
241.14343	1.5
243.15921	23.6
261.22211	7.7
269.17477	14.2
287.18484	3.7
335.25812	58.7
339.17987	3.7
405.26328	1.7
413.21707	5.1
431.22754	4.7
503.37332	44.8
504.37759	2.4
529.38727	12.9
547.40143	6.8
673.42926	3.9
691.44586	9.0
709.41852	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.4
55.05513	15.0
57.03435	12.6
57.07062	3.6
61.83228	2.0
67.05508	68.9
69.03429	15.0
69.07079	15.4
69.09018	2.1
71.04977	8.6
71.51708	3.6
73.02923	1.9
79.05492	37.4
81.03419	25.1
81.07058	100.0
83.04997	14.2
83.08618	10.6
85.02857	3.9
85.06537	9.8
91.05482	25.3
93.07047	33.9
95.04913	3.8
95.08610	32.2
97.02889	8.5
97.06526	8.6
97.10147	2.6
99.04450	3.5
105.07029	17.2
107.04901	2.2
107.08605	17.9
109.02837	4.1
109.10160	11.6
111.04407	5.9
117.06992	9.4
119.08559	9.9
121.10143	13.6
123.11741	11.5
127.03944	4.0
129.05461	6.9
129.07016	2.9
131.08560	10.0
133.10123	11.5
135.11642	10.4
145.10109	6.2
147.11671	7.9
149.13266	11.1
157.10057	3.0
159.11697	10.2
161.13252	4.9
163.14763	3.1
171.11671	4.0
173.04457	7.6
173.13272	3.3
177.12715	8.5
187.13268	9.4
187.14731	3.4
195.13824	7.7
243.15913	30.3
261.22086	4.7
269.17490	9.5
279.23224	2.6
287.18475	3.0
335.25848	30.1
337.27237	3.0
339.18079	4.3
365.27026	2.5
413.21774	4.4
423.92865	2.3
431.22644	6.5
469.60568	2.5
503.37363	33.8
529.39020	10.7
547.40137	3.9
687.01154	2.8
691.43622	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	710.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
54.68988	1.0
55.01872	1.4
55.05510	10.3
57.03436	10.9
61.02881	1.6
65.03939	3.6
67.05509	56.7
68.05813	2.0
69.03439	1.7
69.07056	11.1
69.22758	11.0
71.05000	2.1
71.08637	1.3
79.05499	29.9
81.03416	1.4
81.07063	42.7
82.06583	2.6
83.04974	2.2
83.08611	7.0
85.02903	2.4
85.06600	1.5
91.05486	88.2
92.05829	1.1
93.07051	29.7
93.89503	1.0
94.06558	4.3
94.07386	1.4
95.04978	4.9
95.07350	1.9
95.08617	29.9
96.08144	1.8
97.02934	1.3
97.06528	2.1
97.10164	2.4
98.42249	1.0
105.07036	42.2
107.08600	16.4
109.06503	2.1
109.10145	12.6
115.05482	1.1
117.07030	5.8
119.08587	11.7
121.10147	14.0
122.09724	1.2
123.08051	1.2
123.11727	4.5
128.06256	2.9
131.08600	7.8
133.10138	94.7
135.11681	10.0
137.09566	1.6
143.08585	5.4
145.10146	4.6
147.11661	3.3
149.09683	1.9
149.13269	4.1
151.11214	4.0
151.14812	1.1
159.11702	2.7
161.09637	12.1
161.13269	3.3
163.11198	1.3
163.14857	1.9
173.13234	2.7
177.09222	1.5
177.16330	1.0
185.13266	1.1
185.15350	1.0
187.14809	1.2
197.11765	3.3
209.54762	1.1
231.21053	1.5
243.21086	2.6
248.23741	25.4
251.12857	1.6
253.14362	56.6
261.22299	5.7
262.25278	2.4
266.24594	1.7
317.24829	3.1
322.45428	1.1
335.25827	100.0
336.26053	2.3
421.31165	1.4
513.35791	70.5
514.36090	3.7
530.49323	5.8
531.37317	1.5
532.50922	2.6
548.50403	1.2
710.56311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01872	0.9
57.03439	0.8
64.53179	0.6
65.03931	1.4
66.04713	1.3
68.99781	1.0
69.03430	2.3
69.24535	5.9
70.06588	1.5
79.05483	2.3
81.03408	3.4
81.07046	1.0
84.08148	1.5
85.02891	4.4
86.09733	1.5
87.00835	1.6
91.05490	4.2
94.04203	5.3
95.04992	1.2
97.02897	2.6
97.06521	1.5
103.05449	2.1
105.01875	1.0
105.07043	6.6
107.04968	2.1
109.02868	2.9
109.06520	1.3
111.04478	0.6
114.27374	0.6
115.03932	0.7
115.05462	2.6
118.04184	0.8
119.04985	3.8
119.60966	0.6
120.08022	0.8
122.03648	10.7
125.05980	2.9
127.03911	3.8
128.06194	1.6
130.04126	0.8
131.04912	3.0
133.06490	3.8
137.05983	100.0
138.06299	1.7
141.06964	0.8
145.04932	1.2
145.06459	1.1
146.03653	2.9
147.04376	5.5
149.05975	1.6
151.03938	0.8
151.07574	0.7
153.05475	26.7
156.05719	0.9
159.02916	1.0
161.05986	42.5
163.07570	3.6
165.06924	0.7
167.03448	0.9
167.04935	1.1
167.07043	1.7
171.08054	0.8
175.07559	2.2
175.33685	0.7
177.05475	3.4
179.07060	13.0
179.08586	1.4
184.05219	2.9
187.07578	2.2
189.05470	0.8
189.07204	0.9
190.07675	0.7
191.07027	1.1
191.08647	1.7
192.09309	1.7
199.07530	13.3
202.07796	9.7
203.06926	0.7
203.08565	15.3
204.09294	0.8
205.06474	1.7
207.08253	0.8
210.06906	0.7
213.09076	0.6
215.08688	1.2
218.07217	1.3
219.08060	6.1
220.08823	5.0
221.09732	1.5
222.06900	0.8
229.06564	0.9
230.07274	2.4
231.08073	30.8
232.08737	5.2
233.05965	0.9
233.09633	1.3
234.06767	1.0
235.07570	0.8
235.11172	1.0
237.09258	1.4
245.09637	1.3
246.06589	0.8
247.07681	4.8
248.08340	12.6
249.09142	1.7
251.07106	1.2
253.08607	2.1
258.06799	2.3
259.07553	20.3
260.08328	16.3
261.08972	1.9
262.09958	1.2
263.10669	11.1
263.13293	1.0
264.08005	0.9
265.08636	1.9
274.10281	0.7
275.07111	2.9
275.10629	1.0
276.07819	9.5
277.08502	3.7
279.10144	1.4
279.71176	0.6
280.10840	0.9
289.08658	1.8
290.09366	1.5
291.10165	63.7
292.10828	4.3
293.08115	2.9
293.11493	1.3
295.09796	1.3
295.13272	1.1
297.11349	1.7
303.10287	1.5
305.11606	1.1
307.09625	1.5
308.10516	5.4
315.10184	1.1
321.11203	2.5
322.12030	1.4
323.12790	56.3
324.13275	1.0
325.14209	1.2
333.11264	3.0
335.12744	4.3
345.11172	1.0
347.12949	1.0
351.12335	1.0
353.13925	1.0
363.11731	0.8
365.13855	2.1
377.13449	1.6
413.14056	0.8
431.14682	1.5
449.15054	0.7
461.15891	0.7
591.72412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01876	1.6
57.03400	1.0
65.03956	1.1
66.04716	1.1
69.03416	4.0
69.07045	0.7
70.06577	2.1
71.50888	1.1
76.03700	0.7
79.05486	2.5
81.03408	3.3
81.07053	1.3
85.02893	6.6
85.50652	0.8
86.09682	1.0
87.00841	1.5
91.05486	4.5
94.04189	4.5
95.04929	1.3
97.02905	4.2
97.06532	1.9
99.04446	1.2
103.05463	3.6
105.01859	0.9
105.07026	7.2
107.04954	3.4
109.02876	4.1
109.06508	1.9
111.04449	1.4
115.03995	0.8
115.05477	4.1
117.07025	1.1
119.04941	5.0
121.06460	0.9
122.03645	11.2
125.05982	3.9
127.03921	4.9
128.06212	1.9
129.07039	1.3
131.04932	4.4
133.06476	4.7
135.04436	1.0
137.05983	100.0
138.06342	1.7
141.07005	1.0
143.04971	1.0
145.04880	1.2
146.03641	3.5
147.04431	9.7
149.05965	2.2
151.03889	1.5
153.05469	30.3
156.05623	0.8
159.02928	1.0
159.08069	1.3
161.05992	40.3
162.06348	1.5
163.04034	0.9
163.07559	5.4
165.12799	1.6
167.07048	6.2
175.07503	4.8
177.05437	4.2
179.07043	11.5
184.05222	3.6
185.05945	0.9
187.07565	2.8
191.06993	1.5
191.08571	2.2
192.09253	1.0
193.08578	1.7
199.07565	12.5
202.07779	7.6
203.06744	0.9
203.08574	16.9
205.06520	1.4
209.07948	0.9
209.15421	2.9
213.07202	0.9
215.08636	2.4
218.07204	1.1
219.08157	5.2
220.08844	6.9
221.09773	1.2
229.06480	1.0
230.07236	2.7
231.08072	26.9
232.08971	4.2
232.10936	0.8
233.09525	1.2
234.06825	0.9
235.07581	2.1
235.11162	1.2
237.09149	1.0
241.08688	0.8
247.07646	5.6
248.08342	11.7
249.09102	2.5
253.08716	1.2
255.08282	1.0
258.06815	3.1
259.07547	23.8
260.08319	15.7
261.09064	3.2
262.09891	1.4
263.10681	10.3
265.08609	3.8
272.08392	1.0
274.06357	0.9
275.07004	2.8
276.07819	10.5
277.08490	5.0
279.10199	1.3
280.10913	1.3
284.15283	1.0
289.08633	2.2
290.09470	2.0
291.10159	59.6
292.10690	4.6
293.08054	2.9
293.11453	2.1
295.09872	1.0
295.13303	1.2
297.11368	1.7
303.10190	1.3
305.11716	1.3
307.09631	2.7
308.10434	3.3
311.12610	1.1
315.10147	1.2
321.11252	2.7
322.11807	1.8
323.12781	49.3
324.13104	2.2
333.11145	1.8
335.12692	2.6
339.12262	1.9
347.12854	1.6
349.10541	1.2
351.12439	1.3
353.13754	1.2
365.13828	2.1
377.13870	1.1
399.12509	1.1
431.15250	1.9
513.26544	0.8
571.18744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.1
53.03947	2.1
55.01867	2.7
57.03430	1.5
57.84274	1.2
59.05003	2.1
65.03941	2.6
67.88596	1.1
69.03432	5.1
69.60011	7.2
73.02920	1.0
78.04723	2.7
79.05494	8.7
81.03428	4.0
81.07088	1.1
84.08160	1.4
85.02917	6.5
86.09737	2.7
89.06022	1.3
91.05482	15.8
94.04169	1.1
95.04971	2.6
97.02897	3.8
98.20917	2.3
98.21479	1.3
103.05474	8.4
103.07597	1.5
105.07016	9.9
106.04202	2.6
107.04968	15.5
109.02920	3.0
109.06534	1.1
110.03639	1.0
111.04462	1.8
115.05464	7.6
117.03417	1.5
117.06989	1.5
118.04203	2.0
119.04955	12.5
119.08591	6.3
121.06522	3.3
122.03693	2.8
123.04420	6.3
124.05217	4.7
125.06009	2.2
127.03937	3.8
128.06236	4.3
129.07013	8.6
131.04953	11.8
132.05714	4.9
133.02821	1.2
133.06512	8.1
133.08627	1.2
135.04428	2.6
137.05992	34.3
141.07002	3.3
143.04984	2.0
143.06067	1.7
144.05701	1.9
145.06494	2.6
147.04414	13.3
147.07007	1.5
147.07996	6.9
148.05061	1.2
149.05978	6.8
151.03920	4.1
151.07535	3.9
152.04712	2.6
153.05443	5.6
155.06039	1.3
156.05774	1.4
157.06516	3.4
159.04509	1.2
159.08067	6.7
160.05226	4.3
161.05997	11.4
163.07559	9.0
167.07047	100.0
168.07318	1.3
169.06522	4.5
170.83311	1.0
171.08076	1.2
172.05217	1.6
174.06778	1.5
175.07561	60.3
176.04671	1.2
177.05537	5.5
177.09152	2.3
178.07773	1.4
179.07092	8.4
181.05003	1.1
181.06558	1.3
181.08606	2.9
184.05188	1.7
186.06796	1.8
187.07536	18.6
187.81783	1.1
189.07123	1.3
189.09125	3.5
190.07820	2.7
191.07047	13.9
191.08585	2.2
193.06851	2.2
193.08632	29.5
193.10339	2.2
194.09044	1.5
195.08148	1.4
199.07561	15.1
201.09174	4.0
202.07779	2.9
203.06969	2.0
203.08635	2.8
205.06570	1.8
205.08525	1.5
205.81107	1.1
207.06468	1.9
215.08621	2.5
217.08562	2.7
218.07341	3.1
219.08060	3.2
220.08800	2.3
221.09740	2.2
229.06624	1.4
229.08652	2.0
230.07248	1.3
231.08087	4.1
232.08932	2.3
233.09590	3.5
234.06902	1.8
235.07501	3.3
236.08324	1.4
237.09283	2.6
239.06984	1.2
243.08118	1.8
245.06017	1.5
246.06784	3.7
247.07590	2.8
248.08388	3.3
249.09195	3.7
251.10849	1.9
257.05869	1.7
259.07629	3.7
260.08392	2.4
261.09180	6.7
262.06201	1.6
262.09903	2.2
263.07166	2.4
263.10693	1.5
264.07977	2.3
265.08640	4.2
273.09119	2.2
274.06302	3.1
275.07190	2.2
275.10550	1.8
276.07828	3.8
277.08624	4.7
278.09329	2.8
279.10242	1.3
281.08304	1.3
281.11783	1.5
288.08035	1.6
289.08624	7.4
290.09482	2.8
291.06818	1.6
291.10165	5.4
292.07129	1.3
292.11014	1.8
293.08136	2.3
293.11703	3.1
294.08658	1.4
295.09619	2.4
297.11282	1.4
301.08740	1.2
305.08194	3.2
306.08804	3.8
307.09659	5.8
308.10431	1.8
309.11328	3.4
311.12747	4.0
319.09674	9.3
321.11221	14.6
322.11749	1.3
323.12823	3.6
324.09897	1.3
325.10739	1.5
327.12326	2.6
335.12796	1.3
337.10678	1.7
339.12283	13.8
340.13129	4.7
341.13913	11.5
347.12912	1.9
351.12427	12.5
352.13110	6.3
353.13840	19.5
355.15555	9.6
383.14865	2.4
501.18570	2.1
513.19318	2.0
537.30035	1.2
598.50073	1.3
660.36713	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72761	1.7
51.02375	1.9
51.85875	1.6
53.03939	5.5
54.83470	1.5
55.01882	7.6
55.05515	16.3
57.03438	14.7
57.07067	5.3
61.02919	2.9
61.58533	1.5
61.62611	1.3
65.03937	3.0
67.05511	64.5
67.28233	1.7
69.07072	17.6
71.04993	4.7
71.25010	2.7
71.25376	2.1
79.05502	47.4
81.03413	4.3
81.07060	52.7
83.04990	13.7
83.08610	6.8
83.48174	2.0
85.02905	4.5
85.06539	2.7
86.74783	1.6
91.05479	28.5
93.07052	58.0
95.04963	3.1
95.08614	35.0
97.06568	10.3
97.10181	8.6
99.08138	2.4
101.08418	1.8
105.07039	11.4
107.04962	2.5
107.08610	39.6
109.06526	2.3
109.10166	16.5
111.08084	3.1
117.07018	7.1
119.08572	12.6
120.08836	1.6
120.73986	1.6
121.10157	19.2
123.11771	2.8
131.08557	8.5
133.10107	12.3
134.10478	3.0
135.08047	2.4
135.11702	40.0
145.10123	11.8
147.11714	3.6
149.13280	4.7
153.12749	8.5
157.10159	1.9
159.11691	5.1
161.13348	2.8
163.11177	4.3
163.14815	3.5
171.11726	2.3
173.13251	3.3
181.12253	12.6
187.14848	1.8
199.13396	1.7
210.92065	1.6
243.21147	3.3
248.23718	2.1
249.24072	2.6
253.14343	3.1
254.14717	2.3
255.15947	70.1
261.22156	12.4
317.24844	3.1
335.25827	61.5
336.26279	2.4
423.32526	2.9
515.37311	100.0
516.37671	5.3
533.38110	2.3
680.76215	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.8
55.01881	5.5
55.05504	0.8
57.03438	5.2
60.04526	1.1
61.02707	0.5
61.02928	5.0
64.53711	0.7
65.03967	0.9
67.05501	1.2
68.99794	9.0
69.03434	37.9
70.06596	1.8
71.01357	0.7
71.04992	6.1
71.50832	1.1
73.02917	7.7
75.42896	0.6
79.05505	1.4
81.03424	51.7
83.01332	1.5
83.04977	2.6
84.04468	0.8
84.08147	0.7
85.02911	52.7
86.09715	0.9
87.00835	16.1
87.04466	1.7
91.03955	2.5
91.05491	1.1
93.07038	0.8
95.04956	1.4
97.02898	36.9
98.20987	0.7
99.04461	15.2
103.03951	2.3
103.05463	3.9
105.01873	9.0
105.07033	2.8
107.04964	5.2
108.04471	2.7
109.02887	87.0
109.06508	1.3
111.04433	4.6
115.03940	2.0
115.05510	1.0
117.01871	2.4
117.07016	1.0
119.05041	0.8
123.04427	2.3
125.02366	2.5
126.05511	1.2
127.03927	100.0
128.04306	0.9
129.01855	8.4
129.05499	0.8
130.15723	0.7
131.04939	2.8
133.06505	1.5
135.04427	1.3
135.08095	1.3
137.02328	1.9
137.05966	3.9
139.03928	1.7
141.01839	23.7
145.04970	22.9
147.02907	7.7
147.04440	2.6
149.05991	1.5
151.03943	1.5
154.06247	5.5
155.03545	0.8
159.02904	11.8
161.05981	2.9
163.03922	2.3
163.07549	5.8
165.05453	1.3
167.07045	2.2
169.04988	1.4
171.02925	1.0
173.04541	0.8
173.05974	1.6
177.05508	2.8
179.07103	0.7
181.05023	2.1
184.07321	0.8
189.03949	2.0
189.05528	2.0
191.07048	1.3
193.05005	0.9
195.02971	3.2
195.10181	24.2
201.03941	1.7
201.05540	3.5
207.06549	1.1
213.03943	13.2
217.05016	1.9
219.06529	1.2
231.05002	19.5
235.06087	2.1
249.06113	2.8
253.07034	0.7
255.05006	1.2
259.04343	1.4
273.06073	5.0
285.06073	4.3
287.05716	1.2
291.07031	1.4
297.06522	0.9
303.07159	7.0
315.07346	1.1
321.06152	1.2
333.08194	1.2
338.09058	0.8
339.07050	7.0
356.09659	0.9
357.08188	19.3
374.10956	2.1
375.09262	15.0
392.11859	1.2
393.10489	1.1
397.20340	0.8
467.12344	0.7
483.90335	0.6
502.16125	1.0
669.33472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.1
51.02370	0.3
52.68018	0.1
53.03950	0.9
55.01866	0.5
57.03440	0.1
61.02927	0.6
62.84878	0.1
69.03437	3.9
70.06599	0.7
70.70335	0.2
70.70665	0.3
71.04980	0.4
72.08144	0.2
73.02937	0.2
74.10784	0.1
76.05023	0.1
77.03944	0.2
79.05495	1.3
81.03419	2.4
84.08151	0.2
85.02908	5.9
86.09673	0.3
91.05492	1.8
95.04976	1.3
97.02897	3.7
99.04465	1.4
105.04528	0.5
105.07009	0.2
107.04961	100.0
108.05270	1.0
109.02885	12.2
113.43622	0.1
117.07024	0.2
119.04923	0.6
120.08144	0.2
124.39004	0.1
127.03923	7.6
131.04984	0.2
133.06435	0.1
137.05972	0.7
137.09512	0.1
139.03902	0.7
141.01802	0.1
145.04977	1.7
145.06485	0.4
147.02922	0.1
147.03157	0.2
147.04410	2.0
151.03877	0.2
153.05522	0.1
153.12721	0.3
161.06001	0.3
163.03931	0.1
167.07072	0.3
169.04991	1.5
177.05391	0.1
179.07043	1.3
187.06024	2.4
189.05516	0.2
205.07086	9.1
205.89160	0.1
207.06496	0.3
213.04018	0.1
215.07112	0.2
226.00397	0.2
231.04959	0.1
235.01289	0.2
247.08199	0.6
276.84238	0.1
375.09521	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.8
55.05518	24.9
56.59213	3.0
57.03441	19.3
57.07056	4.8
57.43776	3.4
58.27468	3.1
61.18803	3.3
63.14408	3.0
65.03985	4.2
67.05509	79.3
69.07072	29.3
71.25481	7.4
79.05498	55.2
81.07063	100.0
83.04989	7.5
83.08623	14.5
85.02928	5.3
86.80637	3.2
91.05488	47.2
93.07053	63.7
95.04962	6.7
95.08617	64.9
97.06551	8.5
97.10184	8.8
105.07035	50.6
107.08592	37.4
109.10163	29.1
111.08027	4.3
117.07027	15.4
118.07272	3.4
119.08588	41.9
121.10153	33.1
123.11733	9.2
129.06996	5.1
131.08585	20.8
133.10158	21.6
135.11739	17.7
137.13271	5.6
143.08557	8.6
145.10138	17.8
147.11661	36.3
149.13280	13.9
157.10136	6.4
159.11728	16.3
161.13272	7.5
163.11241	3.9
163.14818	8.7
165.12770	13.6
171.11740	10.6
173.13293	15.4
175.14850	5.2
184.07420	8.1
187.14771	8.4
189.16397	5.1
199.13184	3.3
199.14891	4.2
201.16377	3.6
206.09578	3.5
229.14381	9.3
239.14337	4.0
239.16270	21.6
241.17851	6.7
243.17432	3.7
259.20523	6.5
261.22122	8.8
333.24420	4.5
335.25803	30.6
405.30008	4.1
407.33026	8.6
425.34100	16.6
435.98874	3.8
443.35077	9.9
481.36737	3.9
499.37842	37.6
517.31732	6.3
517.38898	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52349	7.0
55.05511	25.0
55.28814	7.9
57.03417	10.4
67.05508	78.5
69.07063	20.4
69.22757	33.9
69.23191	32.5
72.03858	6.1
79.05502	50.2
81.07053	100.0
83.08604	12.3
83.37151	6.3
91.05484	42.7
93.07043	56.5
95.08614	75.5
96.27851	7.0
96.70549	7.3
97.06492	9.6
99.89520	7.1
105.07059	45.1
107.08588	28.1
109.10141	15.0
117.07034	9.5
119.08566	36.8
121.10120	20.7
131.08534	11.8
132.89508	7.2
133.10118	20.9
135.11699	14.0
145.10091	14.2
147.11708	19.3
149.13246	13.0
159.11682	14.7
161.13249	9.7
173.13217	14.6
199.14708	8.7
239.16458	25.2
241.17862	7.4
265.66983	6.9
277.65634	7.6
335.25803	36.7
399.37344	7.3
425.34167	25.9
499.37711	27.4
517.38983	61.3
588.59351	8.1
674.69220	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	714.5513
Annotation	Pinelloside
Peak:m/z	Relative Intensity
53.03944	0.9
55.05513	6.5
56.05041	4.4
57.07085	3.5
60.04509	2.8
65.03960	0.9
67.05178	1.1
67.05510	13.3
68.05011	1.1
69.03406	1.0
69.07076	6.9
69.15293	7.3
70.06585	2.1
71.08626	1.4
72.76051	0.7
79.05078	0.8
79.05497	11.7
80.04997	2.6
81.05778	1.7
81.07056	10.3
82.06586	7.7
83.08618	5.4
84.08129	0.6
85.02896	2.6
85.10175	0.7
85.84277	0.6
91.04980	0.8
91.05492	9.3
93.05790	1.0
93.07054	10.8
94.06570	20.0
95.04969	1.2
95.07353	8.7
95.07901	0.9
95.08016	0.7
95.08604	8.5
96.08150	6.0
97.02915	0.6
97.10142	2.1
103.05443	0.7
103.91415	0.6
105.07043	6.1
107.08578	6.0
108.08102	3.6
109.10150	3.7
111.11693	1.0
119.08585	6.5
120.08137	0.8
121.10101	5.7
122.09660	2.7
123.11723	1.5
133.10147	3.8
135.10663	0.5
135.11710	3.9
136.11226	1.0
142.15901	0.6
147.11662	1.9
149.13211	1.0
219.21030	1.0
222.22209	0.8
233.22685	3.4
234.22194	8.6
245.22661	4.7
248.23776	3.9
250.25304	6.3
252.23340	0.7
254.24860	1.0
262.25311	100.0
263.25638	2.4
272.25821	4.4
280.26407	7.6
482.22171	0.9
504.47885	5.6
516.47821	30.4
517.47748	1.4
518.49420	4.6
534.48792	18.3
696.53711	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	715.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77649	0.4
53.03952	0.7
55.01873	0.5
55.05511	1.2
57.03437	1.7
61.02932	5.2
64.16580	0.5
64.65102	0.4
65.03936	0.6
67.05511	5.7
69.03434	3.5
69.07066	1.2
69.49149	1.4
69.49574	1.5
70.36928	0.4
71.05009	0.5
71.66131	0.4
73.02920	4.1
79.05502	3.3
81.03424	1.5
81.07061	4.0
83.04975	0.4
85.02908	4.9
91.03946	3.0
91.05485	6.4
93.07057	4.0
95.04980	0.7
95.08624	3.8
97.02888	4.5
98.21453	0.8
99.04461	0.8
101.02390	1.8
105.07033	3.0
107.08616	1.9
109.10178	0.9
117.07066	0.6
119.08600	1.3
121.10172	1.5
127.03925	1.5
131.08597	0.6
133.10132	5.6
135.11690	1.1
151.50429	0.5
161.09647	0.8
184.07358	0.5
185.04335	0.7
219.09940	5.1
243.08430	2.8
250.70309	0.4
303.06851	1.2
415.18942	0.5
437.17883	2.8
519.22034	0.4
519.29297	10.9
519.37134	0.6
524.23297	0.5
569.71094	0.4
574.13959	0.5
715.40295	100.0
716.40692	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	716.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.7
57.03416	1.0
57.07080	29.0
67.05494	2.9
69.07079	4.7
69.55125	3.5
69.55540	1.4
71.08638	27.6
73.06564	9.0
75.15513	0.7
79.05494	1.7
81.07035	2.7
83.08627	5.7
85.10188	17.8
87.04473	10.4
89.06038	100.0
91.99561	0.8
93.07037	2.2
93.65948	0.8
95.08595	3.0
97.10177	5.3
99.11730	3.3
107.07076	1.7
107.08577	1.5
109.10134	1.2
111.11711	3.1
113.13284	1.9
117.09148	9.8
123.80405	0.7
125.13261	2.1
127.14838	1.8
130.08632	2.5
131.07031	2.9
133.08612	58.5
135.10185	1.8
135.11691	0.9
141.16347	1.2
161.11697	1.5
175.09691	1.7
177.11244	25.0
179.12776	0.9
184.07373	0.8
197.22682	3.6
221.13869	5.2
222.92067	0.8
241.25227	2.6
256.16434	1.1
264.26923	2.1
265.16385	1.1
283.17529	1.5
285.27951	5.3
327.19855	1.2
329.30643	3.9
337.27527	1.2
390.64017	0.9
503.30652	1.7
518.39954	0.8
518.49451	1.0
519.39777	1.9
575.50464	1.0
699.52191	2.2
716.53326	3.3
717.41718	4.0
717.53711	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78989	0.3
53.03938	0.9
54.51135	0.3
55.01873	0.8
55.05510	1.6
57.03431	1.5
61.02930	6.0
66.19614	0.3
67.05511	5.8
69.03429	3.1
69.07067	1.6
71.01341	0.6
71.52199	0.4
72.85778	0.3
73.02917	4.0
79.05498	3.7
81.03423	1.4
81.07058	5.1
83.04983	1.0
83.08610	0.8
85.02902	4.6
85.06561	0.5
87.04454	0.7
91.03954	3.2
91.05478	2.4
91.28281	0.4
93.07044	5.1
95.04944	0.5
95.08607	3.8
97.02888	4.7
97.06535	0.5
99.04468	1.3
101.02377	1.7
105.07047	1.4
107.08589	2.7
109.02858	0.6
109.10157	1.4
119.08597	1.1
121.10167	1.4
127.03934	1.2
131.08600	0.8
133.10153	0.7
135.11694	2.2
145.04933	0.4
145.10152	0.6
147.04396	0.4
147.11713	0.4
149.13303	0.4
153.12790	0.8
163.11156	0.5
181.12241	0.5
185.04242	0.6
192.59808	0.3
203.05186	0.5
221.11523	1.7
243.08423	2.1
285.27756	0.4
335.25937	0.8
439.19382	4.1
519.29272	8.5
538.08728	0.4
545.84741	0.3
548.88281	0.3
717.41809	100.0
718.42163	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	718.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
55.59609	0.9
57.07077	28.4
59.04995	1.0
67.05503	2.2
69.07060	2.1
69.67306	5.1
71.08631	20.3
73.02921	1.3
73.06558	8.9
79.05482	1.2
83.08603	1.8
85.10190	17.8
87.04466	10.5
89.06034	100.0
91.05479	1.4
91.07587	0.9
93.07032	1.9
97.10166	3.0
98.21549	1.2
98.80228	0.9
99.11733	4.0
105.07017	1.3
107.07064	2.3
113.13290	2.0
117.09133	9.1
130.08633	2.0
131.07025	2.6
133.08606	45.9
155.01845	1.0
155.17938	4.9
157.08568	0.9
161.11726	1.8
175.09682	1.7
177.11220	16.5
199.20607	4.0
221.13857	2.5
240.22917	0.9
243.23170	5.3
283.17566	1.3
287.25772	3.1
311.49789	0.9
399.15277	1.3
430.17892	2.7
433.00107	1.0
436.91431	1.0
488.98752	1.0
701.49695	2.2
718.51959	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	719.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
63.66299	2.6
67.05473	2.3
69.03437	3.2
71.04978	2.5
72.77053	2.1
79.09925	2.2
81.03419	27.2
85.02915	5.8
91.05488	80.6
94.88558	2.1
97.02904	5.6
99.04446	3.8
105.03405	2.5
105.07069	2.9
107.04968	4.8
109.02882	26.9
115.05465	9.5
117.07063	8.2
119.04937	5.6
127.03926	38.6
133.06483	11.9
137.05994	4.5
143.04922	3.6
145.06505	4.0
159.75421	2.7
161.05995	100.0
162.06393	2.3
169.04990	13.5
171.04424	7.7
179.06992	19.7
189.05486	8.7
195.08089	2.9
229.07082	5.0
230.42551	3.5
249.07510	4.5
269.08035	2.8
287.09201	4.5
315.08612	4.9
361.81992	2.9
425.17160	2.8
438.15512	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01862	2.3
56.13514	2.3
61.56833	2.4
71.51128	2.3
71.51513	3.9
77.44263	2.3
81.03060	2.3
81.03431	24.4
81.07008	2.9
85.02892	3.8
86.87289	2.4
91.05486	70.4
93.07054	2.8
97.02885	4.9
99.04469	5.2
105.07033	5.7
105.66808	2.4
107.04950	3.8
109.02897	29.8
115.05476	8.6
115.88592	2.5
117.07026	7.8
119.04953	6.1
127.03920	34.5
133.06485	9.9
145.06461	3.0
161.05995	100.0
169.04974	13.5
171.04453	7.3
179.06996	15.8
189.05449	8.7
229.07013	7.3
249.07625	3.1
287.09036	2.7
373.16647	2.7
469.16550	2.6
667.96411	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	719.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24559	0.9
56.31456	1.0
57.07074	0.9
67.05492	2.1
68.88640	1.1
70.87641	1.1
71.51613	1.5
81.07053	1.7
85.47733	1.1
93.07024	1.9
93.28687	1.1
95.08611	2.4
102.28428	1.0
133.52559	1.1
151.77895	1.1
197.58173	1.0
226.22096	1.0
242.70912	1.1
352.73865	1.1
377.65341	1.2
384.77832	1.0
401.17880	1.4
414.18326	1.7
415.19153	3.8
416.19907	3.5
417.20694	1.9
419.22238	1.3
429.20981	3.2
430.21454	3.9
431.18613	3.9
433.23999	2.1
443.18143	1.1
444.19385	3.8
445.19928	4.9
445.24423	3.5
446.20514	2.7
457.20422	2.1
458.20847	1.8
459.21579	38.0
460.22446	12.9
461.23468	5.1
472.22638	2.1
473.23422	54.4
474.23740	1.8
487.25092	22.7
488.25522	3.6
492.25232	2.2
501.22354	2.1
503.24405	3.1
505.22171	3.0
515.24463	27.0
516.25006	2.0
519.23871	1.5
543.23956	2.9
547.27234	12.0
575.26556	100.0
576.26782	5.7
593.27209	1.6
701.33673	9.6
719.34814	9.0
719.46594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83584	0.6
55.05516	1.6
57.03434	1.9
61.02933	4.6
67.05510	5.3
69.03427	3.6
69.07064	1.5
69.44003	1.3
69.44389	4.8
71.06127	0.5
73.02928	3.4
79.05492	3.5
81.03414	1.3
81.07057	8.9
83.04987	0.6
85.02909	4.0
89.25028	0.6
89.39993	0.6
91.03957	3.0
91.05485	3.6
93.07056	2.8
93.28041	0.6
95.08634	3.1
97.02897	4.7
97.06535	0.9
99.04496	0.8
101.02397	1.8
105.07062	2.7
107.08604	1.5
109.02824	0.9
109.06561	0.8
109.10165	1.2
115.03833	0.6
118.65876	0.5
119.08578	2.0
121.10174	2.1
124.94003	0.6
127.03933	1.4
130.51361	0.6
131.08572	1.2
135.11649	0.9
147.04378	0.6
147.11707	2.4
154.00687	0.6
159.11760	0.6
161.13344	0.8
165.12782	0.7
165.36110	0.6
193.79326	0.6
233.63275	0.7
239.16373	0.8
243.08423	1.6
355.16385	0.7
441.21030	9.8
519.29065	4.2
670.14557	0.7
719.43463	100.0
720.43823	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	720.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.3
53.03947	2.3
55.01859	1.2
55.05507	1.9
57.03455	1.6
57.07076	0.3
59.05002	1.8
61.02922	1.5
65.03937	0.5
66.16373	0.3
67.05495	1.6
68.99799	2.4
69.03085	0.6
69.03435	7.4
69.03809	0.4
69.07075	2.2
70.06584	1.4
70.41639	1.2
71.04996	13.5
72.08138	0.4
73.02905	1.2
73.06560	4.0
79.05499	4.2
81.03422	8.5
81.07063	20.5
83.01256	0.3
83.04971	0.8
84.08136	0.6
85.02911	13.4
86.09696	1.1
87.00838	3.4
91.05491	2.4
93.07052	14.7
95.04951	0.5
95.08619	2.3
97.02895	5.4
97.06509	1.6
99.04471	3.3
103.03950	2.1
105.01874	1.6
105.07013	0.9
107.04958	0.7
107.07877	0.6
107.08602	11.3
109.02885	14.4
109.06487	0.5
109.10163	2.3
111.04443	1.0
111.08108	0.4
113.02351	0.4
115.03878	0.5
115.05415	0.5
117.01846	0.4
118.45478	0.3
119.04923	0.7
119.08582	0.8
120.08131	0.5
121.02808	0.3
123.04446	0.5
125.02377	0.6
127.03924	15.5
129.01860	2.8
129.05484	0.5
129.10173	0.4
131.04915	0.4
133.02849	0.7
133.10150	0.5
135.04420	0.4
135.11702	21.6
136.12050	0.3
137.05966	1.4
138.06361	0.4
139.03896	0.6
141.01865	2.9
141.05467	1.3
143.04993	0.3
145.04968	3.9
147.02921	2.3
147.04416	1.3
147.08063	0.3
149.05954	0.4
151.03911	0.9
153.01833	0.4
153.05496	0.7
153.12752	100.0
154.13101	1.0
159.02939	1.6
159.04214	0.3
161.05940	0.6
165.05492	2.5
167.07062	0.3
169.04991	0.4
169.12224	0.3
171.02846	1.3
171.04315	0.5
173.48776	0.3
175.03976	0.6
175.07471	0.3
177.05437	1.8
179.07091	0.4
181.05009	0.4
189.03935	1.5
189.05499	0.7
191.07072	0.6
193.04935	0.4
199.03926	0.5
201.04013	0.4
203.07047	1.4
205.05098	0.6
207.06564	4.7
213.03857	1.6
217.04904	0.4
219.06497	0.3
227.06981	0.5
231.04924	2.0
231.06927	3.2
235.06059	0.3
245.08170	0.6
249.07814	2.6
273.05814	0.9
273.07648	1.2
285.06403	0.5
291.07043	0.8
303.07272	0.4
315.07291	1.4
333.08124	3.5
339.07217	1.1
357.08212	2.5
375.09180	2.9
443.09665	0.8
461.10907	0.8
475.12546	0.4
479.11868	2.1
727.78699	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.01870	0.9
55.05502	1.4
57.03439	1.1
59.04994	2.0
61.02913	1.4
65.03931	0.7
67.05509	1.2
68.99802	2.9
69.03432	7.2
69.07079	2.4
69.29419	0.9
69.29817	3.8
70.06590	0.4
71.04993	16.4
73.02918	1.2
73.06557	4.5
79.05499	5.3
81.03424	8.7
81.07061	22.0
83.04996	0.7
85.02442	0.8
85.02912	13.2
86.70516	0.4
87.00838	3.0
91.05470	2.5
93.07049	15.2
95.04968	0.8
95.08606	1.6
97.02895	6.5
97.06515	1.2
99.04453	4.0
103.03930	1.2
103.05457	0.6
105.01876	1.7
107.07881	0.7
107.08601	11.1
109.02883	14.5
109.10162	2.7
111.04439	1.6
111.08086	0.8
115.05463	0.6
117.01852	0.6
119.04900	0.5
119.08628	0.6
123.04429	0.6
127.02975	0.9
127.03926	17.0
129.01863	3.2
133.02873	0.7
135.11696	21.9
137.05962	1.4
141.01828	2.5
141.05458	0.9
143.04895	0.5
145.04997	3.7
147.02876	2.0
147.04398	1.2
151.03885	0.8
153.12750	100.0
154.13103	1.0
159.02890	1.5
161.05913	0.6
165.05444	2.7
167.03349	0.5
171.02863	1.5
171.04314	0.7
177.05493	1.2
184.19643	0.5
189.03957	2.2
189.05482	0.9
191.07127	0.4
193.04945	0.6
199.03868	0.5
203.07068	1.2
205.04958	0.5
207.06526	4.6
213.03952	1.7
217.05080	0.7
231.04958	2.8
231.06596	2.8
249.07718	3.2
273.05444	0.6
273.07758	1.3
285.06088	0.5
291.07443	0.7
315.07166	1.1
333.08261	3.8
339.07214	1.2
352.29254	0.4
357.08307	3.0
375.09335	4.2
461.10803	1.3
479.11786	1.5
497.12976	1.0
499.25760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1764
Annotation	Diinsininol
Peak:m/z	Relative Intensity
53.03939	1.4
55.01865	2.0
57.03434	2.0
61.02918	2.3
65.03934	1.9
65.04256	0.4
65.05393	0.5
67.05510	0.9
68.99431	0.6
68.99790	4.4
69.03432	8.8
69.03780	1.0
69.97339	1.6
69.97756	0.9
70.06590	1.4
71.05010	0.6
73.02908	1.6
77.03927	0.6
79.05515	0.6
81.03429	4.2
85.02909	28.4
86.09730	0.9
91.05478	2.9
93.03388	0.5
95.01276	0.5
95.04958	5.0
97.02271	0.8
97.02888	7.2
98.20777	0.5
99.04448	1.0
103.05478	0.8
105.07024	0.6
107.04961	58.7
108.05222	0.6
109.02889	3.2
111.00803	2.1
111.04452	1.6
115.05461	0.7
119.04948	25.1
121.02876	31.1
121.03860	1.1
123.04433	17.9
127.03906	5.8
128.06247	0.8
129.07004	0.8
131.04904	2.3
133.02859	0.5
133.06465	2.6
135.04457	0.9
137.02370	1.3
139.03909	32.6
141.07016	0.6
145.04990	2.3
145.06480	2.0
146.92874	0.5
147.04422	18.5
147.08076	0.6
149.02357	4.1
149.05994	0.6
151.03914	16.7
151.05141	0.9
153.01833	1.5
157.06494	4.5
159.08141	0.8
161.02385	0.6
161.05943	3.1
163.03957	1.8
165.01860	4.0
167.03426	1.4
169.06494	1.6
171.04382	2.8
171.08138	0.6
173.05988	1.9
179.03436	1.9
181.06441	1.1
183.02943	1.0
185.06012	3.9
187.03952	1.0
187.07553	1.2
189.05510	2.1
191.03412	1.2
195.02859	0.8
197.06020	1.8
198.51036	0.5
199.03813	0.5
199.07549	0.8
201.05534	2.0
203.03441	2.8
203.07050	2.3
204.73631	0.5
205.05090	0.9
213.05479	5.2
215.03372	6.5
215.04898	0.5
215.06929	4.2
225.05545	1.5
227.03407	3.6
227.07008	1.7
229.01369	1.1
229.04932	5.9
231.06531	34.4
232.06793	0.8
237.05548	1.1
241.05051	0.8
243.02998	1.1
243.06558	8.2
245.04414	3.4
245.08098	9.8
255.02756	0.8
255.03877	0.8
255.06535	9.5
257.04517	10.6
257.08142	19.9
258.05374	0.7
269.04410	1.6
269.07944	0.6
271.02386	21.5
273.07584	37.3
283.02438	2.5
283.05881	1.4
285.03955	37.6
286.04584	2.7
287.05515	28.6
289.03439	20.6
289.08368	0.8
290.03882	0.6
295.06192	1.1
297.04025	2.5
297.07593	1.7
299.05499	35.6
300.06198	2.3
301.03476	1.4
303.04944	3.2
311.05414	2.4
311.08749	0.6
315.05090	0.5
315.08719	0.7
321.07574	0.5
323.05447	1.4
324.34448	0.5
327.05060	1.6
329.06573	13.8
335.09161	1.4
337.07034	1.3
339.04956	1.4
339.08759	0.8
345.08102	0.6
349.07214	1.2
353.06622	0.9
361.07111	0.8
363.08752	0.9
379.08487	0.9
381.06046	1.1
387.08609	0.7
389.06552	0.7
391.08139	24.6
392.08514	1.0
403.08176	1.1
405.05286	3.5
405.10001	2.4
415.07950	3.1
423.07104	7.3
433.09143	1.6
435.07034	6.9
447.07150	1.6
541.11273	3.5
559.12378	100.0
560.12964	3.3
567.11487	0.9
583.84094	0.6
601.13110	0.6
689.64301	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1764
Annotation	Diinsininol
Peak:m/z	Relative Intensity
53.03947	1.0
53.59076	0.3
55.01876	0.9
57.03436	1.1
61.02919	1.7
61.43308	0.4
65.03936	0.6
68.99802	1.5
69.03429	5.0
69.37186	0.4
70.06589	1.2
71.09739	0.8
71.10094	0.6
72.08166	0.6
73.02922	0.9
81.03418	2.2
85.02907	11.8
86.15127	0.4
87.04482	0.6
91.03961	0.5
91.05482	1.0
95.04984	1.3
96.84777	0.4
97.02885	4.5
99.04458	0.5
107.04959	11.7
109.02898	1.6
111.00841	1.1
111.04416	0.5
112.32072	0.3
115.05476	0.4
118.04942	0.4
119.04942	8.2
121.02869	14.8
123.04427	4.4
127.03944	2.3
129.10342	0.5
131.04909	0.5
133.06494	0.6
139.03944	1.3
141.07063	0.4
145.04977	1.2
145.06517	0.7
147.04404	7.8
149.02365	1.4
151.03920	2.8
153.01846	1.0
157.06531	2.0
161.06012	0.8
164.44019	0.4
165.01830	1.0
166.07153	0.4
167.03436	0.6
169.06483	0.6
171.04340	0.8
173.05980	1.0
179.03358	0.5
183.02927	0.5
185.05978	0.8
187.03918	0.6
189.05537	0.5
197.06056	0.5
199.03972	0.6
201.05418	0.9
203.03334	1.9
203.07079	1.2
213.05460	2.4
215.03412	6.4
215.06958	0.9
227.03391	4.1
229.01392	1.3
229.04950	4.6
231.06520	23.5
243.02840	0.7
243.06558	1.6
245.04478	2.5
245.08069	1.0
255.02682	0.5
255.06538	1.8
257.04443	5.6
258.05347	0.9
259.05917	0.5
269.04495	0.9
271.02383	24.1
273.07599	4.9
283.02438	2.4
283.06042	1.2
285.03940	40.3
286.04633	2.2
287.05508	23.3
289.03421	19.4
297.03989	2.1
299.05515	12.6
300.06311	1.6
301.03452	0.7
303.05063	3.9
311.05609	0.7
313.07132	0.5
323.05643	0.8
327.05109	1.1
329.06558	12.5
339.04953	0.7
349.07111	0.8
352.43210	0.5
381.06241	0.7
391.08127	2.6
393.06522	0.4
403.08264	0.7
405.05362	3.3
405.10025	1.9
415.08014	0.5
423.07059	6.1
423.12299	0.5
433.09296	1.6
435.07126	5.1
447.06686	0.8
501.87250	0.4
541.11255	2.8
554.10400	0.4
559.12372	100.0
560.12720	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	721.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.03944	1.6
54.31225	0.3
55.01870	1.9
57.03441	2.3
59.35527	0.4
60.35951	0.4
61.02940	1.9
65.03935	1.7
67.05487	0.7
68.99788	5.4
69.03436	8.2
71.01347	0.6
71.04971	0.8
71.51260	0.5
73.02908	0.8
79.05487	1.1
81.03422	4.4
83.01329	0.4
85.02907	26.2
86.09701	0.7
87.04480	0.7
91.03985	0.7
91.05479	1.9
93.03384	0.7
95.01289	0.4
95.04971	5.4
97.02892	6.8
99.04486	1.2
103.05492	0.5
105.04521	0.6
105.06983	0.5
107.04958	54.0
108.05318	0.5
109.02890	3.0
111.00797	2.5
111.04459	1.7
115.05463	0.6
119.04941	24.3
121.02875	31.8
121.03927	1.3
121.06471	0.8
123.04433	17.7
127.03941	4.6
129.07050	0.8
131.04912	2.3
133.06488	3.1
135.04407	0.7
137.02341	0.5
137.05891	0.4
139.03905	31.5
141.07028	1.0
145.04971	3.6
145.06482	2.0
147.04414	19.2
147.08102	0.6
149.02339	5.2
151.03909	15.4
153.01845	1.1
157.06506	4.1
159.08101	0.6
161.06009	2.9
163.03922	1.6
165.01839	4.4
165.07027	0.5
167.03404	1.0
169.06535	1.5
171.04381	2.2
171.07974	0.5
173.02443	0.4
173.06024	1.7
175.03912	1.0
175.07550	0.4
177.01846	0.5
179.03380	1.2
181.01360	0.4
181.05074	0.5
181.06541	1.6
183.02913	1.3
183.08095	0.4
185.05966	4.2
187.03958	1.1
187.07526	1.2
189.01930	0.4
189.05492	2.0
191.03458	1.0
193.05043	0.5
197.06012	1.9
199.03923	0.7
199.07599	1.1
201.05466	1.9
203.03363	2.4
203.06976	2.6
205.04941	0.5
206.49524	0.4
209.06032	0.4
211.03918	0.8
213.05460	5.2
213.07457	0.5
215.03415	6.4
215.06908	3.5
225.05583	1.1
227.03461	4.7
227.07129	1.4
229.01382	1.0
229.04948	5.6
231.06525	31.2
232.06967	0.5
237.05461	0.7
239.03255	0.9
239.07098	1.0
241.05037	1.7
243.02934	1.0
243.06514	7.5
245.04491	3.2
245.08116	9.4
253.05017	0.7
255.02747	0.4
255.03447	0.4
255.06531	8.1
257.04541	10.4
257.08148	18.3
258.05258	1.3
258.08643	0.5
259.06143	0.6
267.06464	0.7
269.04495	1.6
269.08160	0.3
271.02386	21.1
271.05804	1.3
273.07581	35.8
274.07971	0.9
279.06625	0.5
281.04501	0.8
281.08282	0.5
283.02417	2.0
283.06073	1.9
284.03473	0.5
285.03952	36.2
286.04645	2.6
287.05505	27.2
289.03442	19.6
290.03891	0.6
295.06125	0.6
297.03998	2.1
297.07690	1.6
299.05511	34.9
300.06140	2.5
301.03528	1.0
303.04990	3.2
309.07642	0.6
311.05563	1.6
313.07251	0.7
315.05176	0.5
315.08600	0.6
321.07697	0.5
323.05521	1.5
325.07043	0.7
327.05054	1.3
329.06552	13.3
335.09344	1.1
337.07132	1.1
339.04968	1.3
339.08636	0.6
345.07431	0.5
349.07220	0.7
353.06546	0.7
361.07278	0.4
363.08517	0.6
373.07132	0.7
377.06735	0.6
379.08157	0.8
381.06183	0.9
387.08774	0.7
389.06482	0.6
391.08133	23.0
392.08673	0.9
403.08136	1.2
405.05261	3.5
405.09988	2.4
407.07703	1.0
415.07974	2.6
423.07129	8.3
433.09262	0.9
435.07092	6.6
435.12561	0.6
436.07877	0.5
447.07199	1.2
541.11407	3.5
559.12378	100.0
560.12921	3.5
567.11115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	2.7
53.03932	9.1
55.01873	13.1
55.05269	3.1
55.05513	32.1
57.03422	9.0
57.07066	3.8
61.02926	2.6
65.03928	10.0
67.05509	91.1
67.19092	2.3
69.03421	8.3
69.07073	28.2
69.25330	4.9
69.25740	17.3
71.04977	8.3
73.02899	2.8
77.03905	2.1
77.36467	2.3
79.05499	69.9
81.03080	1.9
81.03432	23.7
81.07063	100.0
83.05001	11.2
83.08631	19.4
85.02919	10.9
85.06526	6.8
90.04877	2.1
91.05486	60.9
93.06497	3.9
93.07053	71.8
95.01333	21.1
95.04984	22.8
95.08617	63.6
97.02894	6.5
97.06522	8.7
97.10157	9.9
99.08070	5.8
103.05436	4.2
105.07034	62.6
107.04959	14.1
107.08592	40.0
107.45646	2.4
109.02892	5.6
109.06495	9.1
109.10165	36.2
111.04433	5.1
111.08072	4.1
113.02345	3.5
113.09646	2.1
115.05457	3.4
117.07027	25.6
119.04936	2.3
119.08589	48.2
121.06506	13.6
121.10150	29.4
123.04426	8.4
123.08067	6.2
123.11703	12.4
125.02388	4.9
125.09625	7.2
127.03896	2.9
128.06241	3.2
129.07010	20.8
130.07838	2.7
131.04985	2.1
131.08578	37.0
133.06482	8.4
133.10156	34.0
135.04433	5.5
135.08051	9.7
135.11732	22.3
137.05943	3.5
137.09592	4.9
137.13179	3.9
139.03896	4.4
141.01826	5.0
141.06975	10.1
142.07701	2.2
143.08574	17.3
145.06529	4.5
145.10138	29.7
147.04375	6.3
147.08018	6.3
147.11719	26.2
149.02306	2.3
149.05974	5.0
149.09579	8.0
149.13245	14.4
151.03874	6.1
151.11208	3.6
153.09123	4.2
155.08592	11.3
157.06458	4.5
157.10139	23.0
159.08058	5.9
159.11736	21.3
161.06046	2.6
161.09593	3.6
161.13278	12.2
163.03922	4.7
163.07538	3.3
163.11279	2.9
163.14795	5.2
165.05408	3.3
165.12730	4.7
167.08557	5.6
169.10161	13.5
171.08011	4.0
171.11728	19.1
173.05927	3.8
173.09605	6.1
173.11777	5.0
173.13272	17.5
175.03920	2.9
175.11162	7.9
175.14763	5.4
177.12822	5.6
179.08492	3.0
181.10109	10.2
181.11905	1.9
183.11720	11.2
185.09631	3.8
185.13242	9.0
187.11162	6.5
187.14803	9.3
189.12746	3.3
193.12286	5.6
195.11832	4.2
197.13206	7.6
199.11185	4.0
199.14912	5.9
201.12685	4.9
201.16393	4.7
205.12259	3.5
207.13731	4.7
209.09732	3.1
209.13312	3.3
211.13097	4.3
211.14824	7.5
213.09047	3.0
213.16417	4.3
215.10593	3.2
215.14296	3.6
216.38657	2.4
217.12247	2.6
227.14479	2.9
233.11717	3.9
241.12206	3.0
241.19577	3.1
243.21034	5.0
259.20502	7.0
261.22113	15.1
267.15906	4.0
271.13278	2.7
273.15048	2.3
273.18390	2.6
279.23294	2.5
285.22061	4.8
287.12680	6.8
289.14218	4.0
291.19589	3.3
303.23254	3.5
305.13852	3.2
310.35898	2.3
315.12158	3.3
315.23062	3.1
323.15002	3.1
333.13364	6.7
333.24478	3.9
335.25974	17.8
351.14429	20.6
353.16455	2.7
369.15140	2.8
425.18106	5.9
435.32538	8.5
443.18808	7.4
453.33157	4.2
503.36987	3.7
509.36185	3.8
527.37518	38.5
545.38416	24.2
559.36237	4.9
575.33191	6.3
593.34955	3.7
611.35699	12.0
629.36621	9.5
657.39941	3.0
667.38312	6.9
685.39581	28.0
703.40601	45.3
704.40436	2.7
721.41443	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	721.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64957	3.5
52.65055	3.5
53.03934	10.5
55.05526	19.7
57.03438	6.9
67.05513	71.1
69.03420	4.4
69.07079	14.0
69.43111	8.9
69.43526	19.4
79.05505	79.2
81.03402	5.7
81.07062	54.0
83.04974	8.0
83.08612	9.8
85.07694	18.8
91.05489	48.4
93.07055	67.7
95.04971	12.4
95.08616	37.8
97.06476	7.4
99.08111	4.7
100.83054	3.5
105.07047	30.4
107.04946	5.0
107.08583	23.0
109.06522	5.2
109.10134	12.3
117.07027	7.1
119.08564	22.5
121.10152	16.4
123.08105	6.7
126.63268	3.6
129.07016	9.9
131.08591	13.1
133.10115	9.3
135.11688	6.7
137.09499	5.7
143.08548	8.3
145.10081	6.8
147.11690	33.7
161.13344	10.7
171.11681	16.8
189.12720	5.3
207.13814	26.8
211.75714	4.9
212.80312	4.5
261.21954	4.7
264.86926	4.7
281.17487	48.1
294.37888	4.5
312.98880	4.0
320.87912	4.0
324.81781	3.8
335.25879	54.2
541.38922	100.0
721.44879	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	722.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85151	0.9
51.33326	0.9
53.03937	4.1
55.01872	7.6
55.05505	1.8
56.54646	1.0
57.03432	1.3
57.07072	6.6
59.05011	1.1
60.79286	0.8
65.40408	0.9
67.05515	6.6
69.03428	6.7
69.07072	8.6
70.02957	7.9
70.06583	4.3
71.04972	3.4
72.04167	1.2
72.04525	20.4
72.08128	1.0
73.02918	11.6
74.02431	1.3
74.58041	1.0
77.27692	1.0
79.05528	0.9
81.02999	1.2
81.03426	17.3
81.07043	1.7
83.04979	8.9
84.04498	1.7
84.08141	3.2
85.02917	8.3
85.06540	9.1
86.09691	5.9
87.08117	2.5
90.05563	33.5
95.04972	8.1
96.08112	3.8
97.02898	10.5
98.02431	21.6
98.20740	2.3
99.04462	4.8
99.08070	1.1
100.03990	6.6
103.03937	1.4
103.05468	1.0
103.07592	2.5
105.06996	1.5
107.04941	5.6
109.02891	29.1
110.06058	1.2
111.04463	1.7
112.07595	2.2
113.06020	8.5
115.03931	1.4
116.03455	18.4
123.81189	0.9
124.07596	23.6
125.02380	0.9
127.03918	11.0
130.08636	2.0
131.07021	1.6
132.06563	9.4
132.10237	1.4
137.05977	5.3
138.05498	2.2
142.07605	1.2
142.08656	17.6
143.84291	1.1
145.04959	4.1
158.04507	1.6
160.09705	6.4
166.08649	4.9
169.05106	1.3
172.09717	5.1
174.11304	5.2
175.07637	2.4
180.06609	1.8
181.04938	2.6
184.09705	34.4
187.05989	2.3
193.08580	1.6
198.07535	5.2
199.06012	3.7
201.78127	1.1
202.10756	100.0
203.11430	2.6
203.17960	1.3
211.09628	9.3
216.08723	6.0
217.07060	3.3
220.11836	22.1
226.10751	1.4
230.10257	15.2
234.09726	7.6
244.11760	4.1
262.12869	18.1
274.12857	1.1
310.12823	10.0
314.53897	1.1
328.13922	71.7
329.13947	1.2
346.15054	8.9
364.16058	23.9
464.36426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55542	0.4
56.96569	5.5
70.18847	1.7
84.96043	3.8
85.02891	0.8
85.66604	0.5
97.02864	0.6
98.97582	39.8
103.05453	0.6
110.55492	0.4
110.97562	16.1
112.99099	0.9
116.97837	0.6
116.98624	9.8
122.97519	0.5
124.99097	2.0
126.96946	0.5
127.00544	0.6
127.03901	1.0
128.98605	10.8
131.00131	0.6
131.04889	0.9
134.99669	1.2
137.98878	3.3
140.97774	0.5
140.98616	6.0
142.99080	0.7
143.00165	11.1
143.01848	0.8
143.98949	1.7
144.32304	0.5
144.98077	0.6
145.96063	0.4
146.99602	3.5
147.04436	2.6
149.98944	0.5
152.98480	3.6
152.99625	0.6
153.13245	0.4
155.00098	0.7
156.98019	0.9
157.01669	0.5
158.99648	19.6
161.01210	4.5
161.02509	0.6
164.99484	0.7
168.00008	0.7
170.99654	21.4
173.01230	1.1
174.99159	0.5
177.00714	9.0
180.00038	0.7
182.99641	21.7
189.00665	15.6
194.99648	1.7
195.01891	0.4
198.01151	0.9
201.00713	47.5
202.01004	0.5
207.01785	1.0
210.01213	1.2
212.02303	0.5
213.00674	4.2
219.01753	32.7
219.51492	0.6
220.01749	0.4
224.02310	0.7
225.00632	0.5
231.01837	4.3
237.02826	9.7
240.02145	1.5
242.03369	0.8
243.01778	22.5
245.05122	0.8
261.02826	90.6
262.03067	1.1
270.03149	1.5
273.02808	7.6
274.96927	0.5
279.03879	33.2
280.04135	0.5
291.03867	13.9
297.05096	0.5
300.04077	3.2
300.54333	1.0
302.05453	1.3
303.03989	1.0
309.04834	0.6
321.04941	30.7
333.04904	3.2
345.05048	0.7
351.06012	8.6
352.06491	0.5
363.06003	2.5
381.07040	27.9
381.56787	0.7
382.07645	0.8
399.08130	19.8
401.89825	0.5
422.09753	0.6
423.08255	0.5
441.09174	100.0
442.09521	2.2
453.09113	2.4
471.10452	1.0
501.11206	1.4
525.10602	0.5
543.12140	1.6
723.25989	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	6.1
71.50044	1.1
73.02897	0.7
84.96033	3.8
85.02884	1.3
97.02893	1.0
97.96823	0.6
98.97586	43.6
103.05488	0.5
109.05140	0.5
110.97571	19.4
110.98335	1.3
112.99084	0.7
116.98622	9.8
119.04939	0.6
124.99094	1.7
127.00632	0.5
128.97691	0.8
128.98601	11.6
129.48424	0.6
131.00114	0.7
131.04892	0.8
132.95757	0.9
134.99606	1.4
137.98862	3.1
140.98615	7.2
142.99080	0.8
143.00171	11.4
143.98930	2.3
144.98074	0.5
146.99638	4.6
147.04399	1.8
149.98932	0.8
152.98505	3.2
152.99641	1.1
155.00140	0.8
156.98036	0.6
158.99649	22.8
161.01257	5.2
164.99455	1.3
168.00063	1.4
170.99669	22.1
173.01256	0.7
173.02831	0.8
173.26627	0.5
177.00705	8.5
182.99658	24.9
185.01245	0.8
189.00687	16.1
189.50670	0.8
194.99565	0.8
198.01022	1.0
201.00717	50.7
203.02257	1.3
207.01860	1.0
210.01102	1.5
213.00714	4.3
219.01759	33.4
231.01750	5.9
237.02815	10.2
240.02196	2.2
243.01784	24.6
249.02730	0.6
261.02832	96.2
262.03195	1.4
270.03110	1.2
270.53241	0.9
273.02853	7.4
276.99954	0.5
279.03903	34.6
280.03888	0.6
291.03864	14.5
300.04144	4.6
302.05383	0.8
303.03870	1.5
309.04987	1.7
321.04929	30.9
322.05338	0.8
333.04959	4.2
351.06042	8.3
363.05957	2.4
381.07077	30.6
382.07043	0.6
399.08127	19.4
423.08035	0.8
441.09186	100.0
442.09570	2.3
453.09219	2.3
468.33096	0.5
471.10309	1.7
501.11285	1.7
543.12158	0.7
640.45056	0.6
674.72382	0.6
723.25116	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.9
54.31519	2.1
55.05272	2.2
55.05516	23.8
55.57729	1.9
57.03423	6.1
57.07070	3.4
64.21481	1.8
65.03930	5.3
67.05509	78.6
69.03450	10.2
69.07069	16.3
69.34793	2.2
71.04996	27.2
72.58788	1.9
79.05500	47.1
81.03429	25.2
81.07059	100.0
83.04974	22.3
83.08619	11.1
85.02899	4.2
85.06539	7.8
87.39533	2.0
91.05489	34.6
93.07053	43.4
95.04945	6.4
95.08611	36.3
97.02908	5.2
97.06549	5.2
98.11409	1.9
99.04491	2.1
99.08083	3.8
105.07034	23.8
107.04970	2.4
107.08592	27.9
109.02895	4.0
109.10145	12.7
111.04442	5.5
117.07018	10.3
117.63489	2.2
119.08596	13.5
121.10127	13.8
123.11716	13.8
129.05504	11.3
129.07013	4.9
131.08566	14.8
133.10135	24.1
135.11678	8.9
137.09576	2.6
140.99898	2.2
141.06947	3.3
143.08525	3.3
145.10182	5.2
145.36098	2.0
147.11719	10.7
149.13257	7.4
151.11192	6.8
155.08521	3.1
157.10094	4.2
159.11681	11.1
161.13217	5.7
161.94490	1.9
163.11147	2.3
165.12756	2.1
169.12257	3.2
171.11595	3.4
173.04463	4.8
173.13225	4.5
175.11139	2.7
177.12720	4.5
183.13847	3.4
185.13239	3.9
187.13353	13.9
187.14870	3.3
195.13864	3.4
201.14835	6.1
225.14879	3.7
227.16382	2.3
243.15929	5.0
257.17416	2.7
261.22095	3.8
269.17459	11.6
299.18457	3.5
321.83780	2.5
335.25858	27.7
351.22903	3.1
369.24301	3.6
370.86710	2.3
445.24408	3.4
503.30606	3.4
503.37418	48.2
505.38931	17.8
517.38342	4.7
529.38586	11.2
561.41577	37.5
609.02698	2.8
647.40930	3.6
673.43073	10.3
705.45380	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	723.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.3
55.05516	20.3
56.58129	3.3
56.59012	2.5
57.03436	14.2
57.07077	4.3
62.09156	2.6
63.75806	2.4
67.05511	79.9
68.47605	2.4
69.03419	12.8
69.07075	13.7
71.05000	25.1
71.49088	2.5
71.52283	3.7
79.05496	40.9
79.68568	2.6
81.03424	22.9
81.07061	100.0
83.04984	29.8
83.08623	10.4
83.53851	2.5
85.06548	8.1
85.55460	2.5
91.05488	40.6
93.07045	42.1
95.04982	6.4
95.08615	43.2
97.02932	3.6
97.06524	8.2
97.10137	5.6
98.09222	3.1
105.07043	24.6
107.08597	28.8
109.02921	3.8
109.06504	3.7
109.10175	16.5
109.94051	3.8
111.04471	4.0
111.08095	6.7
117.07035	8.8
119.08588	15.7
121.10147	15.6
123.08059	3.3
123.11733	11.6
129.05492	10.4
129.07036	4.8
131.08594	15.1
133.10179	18.1
135.08151	2.9
135.11719	11.7
143.08571	6.3
145.10136	10.6
147.11685	11.2
149.13275	9.2
151.11176	6.9
155.08586	3.3
157.10217	4.6
159.11707	12.5
161.13249	4.0
173.04475	5.3
173.13284	4.8
177.12801	4.8
183.13930	3.0
187.13295	6.8
187.14879	3.4
223.16481	2.8
243.15924	7.1
257.17590	6.6
261.22061	2.9
269.17557	8.0
278.32397	3.2
335.25845	12.1
362.69635	3.1
369.24261	4.6
445.24484	3.9
503.37289	28.8
505.38809	26.3
517.38422	3.6
529.38763	11.6
561.41663	13.9
637.40564	4.1
673.42865	8.4
686.39087	3.2
705.45447	5.5
723.45477	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	723.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27764	1.6
53.03944	6.5
55.01873	2.6
55.05516	24.6
57.03430	6.8
57.07072	3.0
65.03940	3.2
67.05513	71.9
69.03431	9.2
69.07084	13.9
71.01361	1.8
71.04646	2.6
71.05003	25.6
71.15685	1.6
73.82310	1.3
74.22070	1.3
79.05501	39.1
81.03430	19.7
81.07066	100.0
83.04987	22.0
83.08624	8.8
85.02876	1.7
85.06560	7.8
91.05491	38.7
93.07050	42.9
95.04974	7.0
95.08616	33.9
97.02905	4.9
97.06544	6.7
97.10193	3.6
98.20728	3.8
99.04499	1.6
105.07035	23.4
107.08594	23.7
109.02895	2.4
109.06520	1.6
109.10169	13.9
111.04450	4.0
111.08086	2.3
117.07000	7.7
119.08588	12.6
121.10155	19.0
123.11733	11.7
127.03917	2.6
129.05467	7.5
129.07021	4.1
131.08586	12.8
133.06494	1.9
133.10164	18.7
135.11711	10.6
141.06879	1.9
143.08589	3.5
145.10136	7.5
147.04546	1.5
147.08083	1.6
147.11661	10.0
149.09659	1.7
149.13231	7.2
151.11180	8.0
157.10098	3.2
159.11726	9.2
161.09523	2.1
161.13245	3.2
165.12830	1.8
169.10168	1.7
171.11667	2.7
173.04485	6.0
173.13292	4.2
175.11140	2.3
175.14897	2.4
177.12775	3.1
181.77036	1.5
183.13904	2.0
185.13191	2.0
187.13266	7.1
187.14790	2.8
193.12259	1.8
197.13277	1.9
201.14806	2.5
225.14771	2.7
234.58012	1.5
243.15945	4.2
243.21176	1.8
261.22131	4.6
269.17505	7.0
273.64713	1.7
299.18723	2.6
301.20175	2.2
319.22906	1.6
334.41760	1.5
335.25845	21.6
339.18307	1.9
374.84406	1.7
387.25427	2.0
445.24286	5.3
461.29257	2.9
503.30511	2.8
503.37396	41.5
504.37622	2.0
505.39069	13.9
515.29388	1.7
517.38544	3.3
529.38745	9.6
561.41437	32.9
562.41229	2.0
673.42786	4.3
691.42773	2.7
705.45032	8.1
723.45264	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	724.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74267	0.7
53.03957	1.8
55.01870	1.0
55.05513	11.0
57.03446	4.2
57.07076	1.7
59.05001	1.8
61.02936	4.0
61.03184	0.7
63.89287	0.9
65.03938	3.4
67.05510	58.7
69.03421	2.5
69.07067	7.5
69.41555	5.8
71.04997	48.8
73.02888	1.4
73.06535	0.9
73.91788	0.7
75.04485	0.9
79.05497	22.7
81.03426	2.6
81.07061	100.0
82.07379	1.2
83.04994	7.2
83.08626	9.0
85.02886	3.1
85.06550	10.8
87.04461	1.0
89.06030	0.9
91.05489	34.6
93.07049	20.8
95.04961	3.3
95.08609	10.1
97.02881	2.2
97.06544	7.8
97.10174	1.1
99.08109	1.0
101.06005	1.0
105.07037	16.1
107.08602	16.2
108.38275	0.8
109.02888	1.0
109.06516	3.1
109.10151	9.8
111.08076	4.1
116.82831	0.7
117.07010	4.1
119.08582	1.7
121.10152	5.9
123.08100	1.3
123.11707	19.8
125.09578	0.8
127.03924	2.0
131.04890	0.9
131.08560	5.9
133.10141	28.7
135.08055	1.7
135.11703	5.4
143.37746	0.8
143.79808	0.7
147.11627	1.2
149.09666	1.4
149.13252	8.3
151.11194	14.3
159.11708	8.4
161.05959	0.8
169.12267	1.6
177.12770	3.5
183.13812	8.9
187.13306	6.3
195.13791	3.1
201.14793	1.8
213.14792	1.2
225.14806	2.6
234.40540	0.8
243.15916	1.2
250.40099	0.8
257.17487	3.1
265.08328	0.7
269.17606	4.2
283.18848	1.1
285.16879	1.1
300.15866	0.8
301.16846	1.8
301.20093	21.1
393.26096	1.2
415.21536	0.8
419.27628	1.5
425.28986	5.3
426.09467	0.9
437.29138	4.8
439.30798	0.9
451.30576	9.6
463.30502	7.3
469.31647	76.2
470.31989	3.0
483.33261	11.7
495.33209	49.0
495.38419	0.7
495.40689	1.2
496.33337	1.8
527.35828	54.9
528.36176	2.1
639.36871	2.8
724.39185	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.6
55.05519	20.4
57.03447	22.4
57.07086	5.0
61.02927	4.8
62.39344	3.3
63.42479	3.9
65.03938	5.5
65.52588	4.0
67.05180	6.4
67.05510	68.9
69.03440	4.5
69.07081	19.3
69.17878	6.4
69.18282	32.3
71.05001	5.9
79.05502	55.3
81.02992	6.5
81.03428	93.6
81.07065	74.8
83.08636	27.6
85.02908	9.7
91.05501	39.2
93.07052	49.7
95.04999	28.4
95.08617	48.8
97.02888	4.0
97.10186	9.1
98.20707	6.6
103.24400	3.9
105.07044	21.4
107.04955	10.2
107.08617	25.5
107.75210	3.5
109.06512	4.3
109.10154	16.5
111.04492	3.8
111.08080	6.4
117.07047	6.1
119.08581	24.4
121.06522	5.2
121.10145	26.8
122.36663	3.7
123.08115	4.4
129.07008	11.6
131.08603	18.3
133.06497	4.1
133.09015	3.5
133.10152	16.9
135.11702	12.5
139.60281	3.7
145.10139	10.6
147.11713	20.1
149.09570	5.9
149.13251	8.8
152.88541	3.5
157.10130	9.8
159.11754	7.4
173.13330	4.6
175.11143	13.0
187.14848	5.9
193.12285	19.3
227.12862	5.9
235.13368	4.2
237.03511	3.9
237.14644	3.8
243.21381	4.1
261.22113	16.5
267.15939	100.0
301.25140	6.0
317.24908	5.1
335.25830	86.9
351.17709	3.9
435.32520	5.1
453.33368	4.8
527.37286	41.0
545.38556	19.1
569.37360	4.4
686.52039	4.5
724.43604	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	725.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
51.69053	0.5
52.68708	0.4
53.00304	0.7
53.03713	0.6
53.03945	1.6
53.14518	0.4
56.93887	0.4
57.03142	0.4
57.03431	1.0
61.08257	0.5
63.48528	0.4
67.05499	0.5
69.03442	2.7
69.45331	3.1
70.06595	0.8
71.04993	6.6
79.05510	0.6
81.03426	4.6
83.04996	1.1
85.02908	8.8
86.09667	0.4
87.76076	0.5
91.05490	1.6
93.40195	0.4
95.04990	1.2
97.02911	3.6
99.04462	0.6
103.05471	27.5
104.50428	0.4
105.04533	0.5
107.04961	1.0
109.02868	2.4
111.04467	0.7
121.02878	1.8
121.10193	0.5
127.03934	2.8
129.05469	2.0
131.04936	100.0
132.05260	1.0
133.06473	0.5
137.05963	2.8
145.02858	0.8
145.05006	0.7
147.04451	1.3
149.05981	9.9
153.01851	1.5
165.01834	0.8
167.07037	0.9
177.05518	0.9
207.06554	0.6
257.08038	0.7
275.09164	5.2
287.05521	44.3
288.05856	0.7
293.10291	4.5
308.60864	0.5
329.06537	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99546	0.3
51.74337	0.3
53.03949	0.9
55.01864	0.3
58.17347	0.3
58.29214	0.3
65.03947	0.4
66.04707	1.0
67.69821	0.3
69.03417	1.1
70.06575	1.0
71.04992	0.3
71.24059	0.5
72.08158	0.5
77.03939	0.4
79.05497	2.0
81.03414	1.0
81.07050	0.6
84.08118	0.7
85.02904	1.4
87.00806	0.7
91.05495	1.7
94.04191	5.0
95.04953	0.3
95.08604	0.3
96.07822	0.2
97.02873	1.4
97.79959	0.3
99.04462	0.4
103.05467	1.7
105.01850	0.4
105.03402	0.5
105.07036	3.2
107.04971	2.0
107.08614	0.3
109.02882	1.1
109.06508	0.9
115.05481	1.5
117.03391	0.4
117.06987	0.4
119.04932	0.3
121.06507	0.5
122.03657	10.0
127.03959	1.6
128.06252	1.0
129.10309	0.3
131.04938	2.6
133.06497	2.2
137.05983	100.0
138.06317	1.2
141.06998	0.4
143.04893	0.5
145.02847	0.5
145.06522	0.6
146.03621	1.6
147.04330	0.4
149.06024	0.6
149.13237	0.3
151.03909	1.0
151.05098	0.3
159.08197	0.4
161.05988	17.4
163.07524	2.2
167.07123	0.5
169.06555	0.4
171.07974	0.6
175.07600	1.4
177.05469	0.6
179.08582	0.3
184.05255	1.2
185.05902	0.3
187.07558	1.0
189.07028	0.5
191.08606	0.8
192.09398	0.6
193.08661	0.6
194.07318	0.3
199.07555	7.7
201.09113	0.6
202.07794	3.9
203.06712	0.5
203.08560	5.9
204.09334	0.7
205.06522	0.9
211.07628	0.4
213.09113	0.4
218.07202	0.3
219.08063	2.2
220.08839	1.5
221.05945	0.5
230.07320	0.9
231.08046	9.4
232.08752	2.7
233.06012	0.6
233.09648	0.6
235.07610	0.7
235.11324	0.4
237.09109	1.2
241.08594	0.3
245.09636	0.5
247.07607	1.7
248.08342	4.5
249.09036	0.7
250.06238	0.3
258.06894	0.9
259.07565	6.9
260.08334	5.0
261.09064	1.4
262.09857	0.8
263.10690	3.1
265.08655	2.2
275.07016	1.0
275.10638	0.4
276.07822	3.6
277.08661	1.9
278.09421	0.3
279.10071	0.3
287.06064	0.3
289.08603	1.2
290.09390	0.5
291.10162	17.9
292.10849	2.5
293.08136	1.4
293.11749	2.2
295.09723	0.8
295.13193	0.7
297.11258	4.2
307.09631	0.7
308.10541	1.2
309.11386	0.6
315.10352	0.4
321.11212	1.5
322.11984	0.6
323.12799	13.8
324.13397	0.5
325.14398	1.2
333.11362	0.7
335.12845	2.2
345.11234	0.3
347.12778	0.5
357.13446	1.6
365.14130	0.4
377.13824	0.3
427.15393	2.7
457.16312	0.7
459.18076	3.5
649.19653	0.3
725.24091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.05514	9.0
57.03440	10.4
57.07058	1.9
58.07061	1.8
59.04981	2.9
60.17370	1.9
67.05511	16.7
69.03418	8.4
69.07059	4.3
70.06578	4.5
71.04996	55.5
71.51109	2.2
71.72355	1.7
73.02909	4.9
74.98388	1.8
75.04470	6.0
79.05507	10.7
81.03403	4.4
81.07062	35.0
83.04979	14.6
83.08657	2.2
84.08143	1.8
85.02911	100.0
85.38466	1.8
86.09677	1.8
86.75225	2.2
87.04471	3.6
91.05483	17.0
93.07048	20.3
93.34705	1.6
95.04956	2.7
95.08613	39.8
97.02910	10.9
105.04602	2.2
105.07031	45.4
107.04963	3.3
107.08599	31.0
108.29604	1.7
109.02865	4.1
109.10167	28.4
111.04425	8.1
119.07156	1.6
119.08597	30.1
120.08127	1.9
121.10148	13.8
123.11694	5.4
127.03922	9.6
129.05487	37.3
131.08514	3.7
133.02815	4.2
133.10130	16.9
135.04391	2.3
135.11681	7.9
137.05975	6.8
145.04922	6.2
145.10115	3.8
147.04445	3.0
147.06540	19.9
147.11693	31.6
149.02325	4.7
151.03894	3.3
159.11659	2.8
161.13257	14.0
163.03923	53.2
163.05962	2.9
163.11354	1.9
163.14850	5.0
167.07051	5.6
175.14847	5.0
177.05440	2.7
181.04915	2.7
189.16396	2.2
201.16386	2.2
203.16057	4.2
203.17955	56.1
209.13104	2.4
221.18929	5.2
255.08667	2.8
257.43210	1.7
273.09576	2.7
309.11703	5.1
455.33423	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37646	1.1
53.03946	3.6
55.01880	1.7
55.05519	15.6
57.03444	12.1
57.07063	2.3
61.02920	2.7
65.03934	2.4
67.05508	58.4
69.03404	1.3
69.07072	18.8
69.82336	6.0
71.04993	4.1
72.68404	1.1
75.44228	1.3
79.05502	41.4
80.71086	1.3
81.07060	63.8
83.04990	5.6
83.08633	9.2
85.02900	3.3
85.06535	2.9
91.05494	19.0
93.07050	56.5
93.43763	1.1
95.04973	4.6
95.08611	31.5
97.02850	1.3
97.06536	6.2
97.10164	1.4
99.08082	2.4
102.73001	1.1
105.04503	1.4
105.07045	10.2
107.08600	29.6
109.06528	1.8
109.10170	9.4
111.08083	5.4
117.07013	8.2
119.08599	7.1
121.10148	18.9
121.10946	1.9
123.11739	3.7
131.08572	10.8
133.10127	8.2
135.11694	10.7
137.43294	1.1
145.10159	3.7
147.11703	4.4
149.09702	1.3
149.13272	25.8
159.11717	9.4
161.13298	2.8
173.13295	2.0
177.12793	3.9
180.44771	1.3
195.13826	9.0
233.22705	1.3
243.21135	3.4
261.22137	10.7
269.17502	92.3
270.17816	2.0
317.24841	2.6
335.25821	59.4
336.26080	1.5
437.34152	1.6
518.44769	1.3
529.38934	100.0
530.39050	3.9
547.39386	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
55.01860	2.1
55.05513	20.5
57.03444	16.7
57.07069	4.0
58.42208	1.4
61.02921	6.7
62.77991	1.5
65.03932	2.9
67.05507	89.8
69.03428	2.3
69.07069	23.4
70.18938	4.5
70.19302	3.0
71.04977	4.4
71.08627	1.6
73.02931	2.5
74.73827	1.5
75.44634	1.6
79.05499	55.3
81.03411	3.4
81.07061	97.1
82.07405	1.7
83.04982	4.9
83.08617	15.9
85.02903	4.4
85.06541	3.0
86.96037	1.5
91.05486	31.8
93.07047	65.0
93.07647	3.4
95.04971	5.0
95.08611	47.3
97.02883	2.2
97.06535	7.2
97.10149	1.6
98.20857	1.9
99.08138	1.8
105.07039	16.2
107.08604	35.9
109.06499	3.5
109.10149	15.2
111.08047	4.1
113.49481	1.7
117.07042	9.9
119.08595	11.3
121.06518	2.1
121.10140	22.6
123.08057	1.6
123.11739	7.9
129.07079	1.6
131.08556	16.3
133.10150	22.1
135.11691	19.4
145.10114	5.1
147.11656	4.3
149.09700	2.0
149.13277	19.1
157.10136	1.8
159.11702	13.5
161.13268	2.8
163.14790	3.8
173.13254	3.9
177.12732	4.1
187.14789	2.4
195.13791	10.9
243.21011	2.3
243.30251	1.5
261.22156	9.5
269.17493	89.5
270.17807	2.6
317.24838	2.6
335.25809	92.7
336.26190	3.2
437.34113	4.6
455.35196	2.1
529.38910	100.0
530.39020	5.1
547.39429	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01861	1.0
55.05272	1.4
55.05518	18.2
57.03441	10.4
57.07072	2.8
61.02933	4.7
65.03934	2.7
67.05509	62.4
68.05860	0.8
69.03414	1.3
69.07074	22.0
71.04998	4.2
71.08635	0.9
73.02921	1.2
79.05501	30.5
81.03402	1.3
81.07062	64.2
83.04992	2.5
83.08626	15.2
85.02897	3.5
85.06546	6.9
91.03947	1.1
91.05488	17.2
93.07054	30.3
95.04964	1.7
95.08614	100.0
96.08947	1.6
97.02903	3.2
97.06538	6.3
97.10159	3.9
98.21509	3.1
99.08100	2.7
105.04572	0.9
105.07038	12.2
107.08607	15.1
109.06511	1.2
109.10163	25.4
111.08093	2.0
117.07005	2.7
119.08594	11.0
121.10157	13.1
123.08105	1.3
123.11708	4.1
127.01026	0.8
127.07571	1.4
131.08572	6.0
133.10147	9.7
135.11702	10.6
137.09639	1.7
137.13254	3.1
145.10092	4.4
147.04430	2.0
147.11665	4.0
149.13290	5.0
159.11688	4.7
160.45477	0.9
161.13284	11.8
163.14859	2.7
173.13235	2.1
175.14874	1.1
179.14322	5.8
197.15424	1.9
215.16409	1.9
229.88789	1.1
232.55536	0.8
243.21097	3.1
261.22174	11.8
269.17514	3.7
271.19058	69.8
272.19464	1.4
279.23181	0.9
317.24826	2.7
335.25827	89.5
336.26141	2.8
430.10077	0.8
471.90588	0.9
483.53799	0.8
513.38934	1.0
531.40509	68.5
532.40540	3.5
549.41449	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01870	1.9
55.05270	1.1
55.05515	16.1
57.03437	10.1
57.07075	4.3
61.02923	2.5
61.22125	0.6
65.03922	2.0
67.05508	60.9
69.03435	1.3
69.07072	22.6
70.82042	0.6
71.04992	3.1
71.08632	1.8
71.51536	1.2
73.02898	0.7
79.05500	24.9
81.03451	0.7
81.07061	70.5
82.33691	0.7
83.04984	4.1
83.08624	13.9
85.02901	2.3
85.06538	2.3
86.09713	0.9
90.83004	0.6
91.03966	0.7
91.05481	13.7
93.07049	37.5
95.04967	3.0
95.08613	35.2
97.02892	1.5
97.06535	7.5
97.10166	4.0
99.08089	1.8
105.07026	7.2
107.08600	21.8
109.06496	1.3
109.10167	12.1
111.08106	3.9
113.09683	0.8
117.07018	4.5
119.08595	4.5
121.10148	16.9
123.11694	5.2
125.09641	1.0
131.08569	4.5
133.10139	7.0
135.11702	6.3
137.09589	0.8
137.13297	1.6
139.11203	1.0
147.11693	4.1
149.13275	15.2
151.14738	0.7
159.11699	7.3
161.13263	2.8
163.14864	1.5
167.14384	0.7
175.14873	1.2
177.12770	3.1
184.07355	1.7
195.13789	6.2
213.14970	1.0
222.91307	0.8
245.22818	1.2
248.23825	2.0
256.65030	0.6
263.23727	2.8
269.17499	51.8
270.17889	1.7
271.19159	1.3
337.27383	53.4
338.27881	1.1
457.36975	0.8
531.40491	100.0
532.40900	5.0
599.50073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05521	7.6
56.05049	4.7
57.07073	3.7
60.04504	2.4
67.05183	1.0
67.05512	14.8
67.05867	0.8
68.05031	1.6
69.03407	0.8
69.07082	8.1
69.50227	5.6
70.06590	1.7
71.08627	1.7
71.65634	0.7
79.05501	11.1
80.05026	3.8
81.03385	1.1
81.05802	1.6
81.07066	12.7
82.06590	7.7
83.08636	4.7
85.02894	2.7
85.10155	1.5
86.09708	0.9
90.25191	0.8
91.05495	9.2
93.07063	9.4
94.06580	18.4
95.04958	1.0
95.07340	9.0
95.08621	10.5
96.08154	5.8
97.02888	0.9
97.10166	3.1
98.21526	0.9
105.07030	7.0
107.07378	1.0
107.08584	6.5
107.82411	0.7
108.08123	2.7
109.10151	3.9
110.09669	1.3
111.45099	0.8
119.08597	5.6
120.96933	0.8
121.10152	7.2
122.09696	1.9
123.11694	1.8
133.10121	4.1
135.10492	1.0
135.11685	2.9
136.11212	1.4
137.13150	1.0
147.11676	1.8
149.13257	1.4
161.13182	1.6
175.14777	0.8
205.19597	0.8
219.21161	3.7
220.20787	1.0
231.21083	5.0
236.23778	7.3
248.23759	100.0
249.24075	2.5
250.25201	1.5
254.53140	0.8
262.25330	18.4
266.24814	6.0
282.27954	1.0
300.28995	5.5
518.49371	5.5
530.49359	32.6
531.49493	1.3
532.50916	8.0
548.50464	17.0
599.50732	1.9
710.55341	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.1
55.01881	2.0
57.03444	1.4
61.02923	1.3
65.03944	3.8
69.03448	5.5
70.06580	2.9
70.22670	2.2
70.23055	2.3
73.02929	1.5
74.50205	1.0
77.03922	1.3
78.04718	2.5
79.05501	6.6
81.03414	2.2
81.07066	2.1
81.08511	1.0
85.02913	7.4
91.05482	9.8
93.03416	4.0
95.04953	1.6
97.02924	5.6
97.06553	1.1
98.21059	2.5
103.05486	5.6
105.07043	9.4
106.04172	2.0
107.04967	15.9
107.08581	1.2
107.20181	1.1
109.02898	3.3
110.03675	5.2
111.04468	5.6
115.05482	3.8
117.07018	2.6
118.04208	2.6
119.04934	7.2
119.08611	3.3
120.08138	1.5
121.06497	2.3
122.03661	2.0
123.04426	6.3
124.05202	2.7
125.05995	9.6
127.03935	2.8
128.06224	4.0
129.05472	4.7
129.06998	6.1
130.04150	1.4
131.04939	8.4
131.08589	1.3
132.05692	3.8
133.02867	2.9
133.06534	5.2
133.10103	1.5
135.04398	1.2
137.05989	16.9
141.07018	1.6
144.05710	1.8
145.04939	1.5
145.06573	2.8
147.04440	12.1
147.08046	4.8
148.05130	1.3
149.06035	3.9
151.03935	3.1
151.07561	3.3
153.05490	23.2
155.04907	1.5
157.06458	1.8
157.07655	1.1
159.08083	6.8
160.05186	2.1
161.06023	8.4
163.07538	2.6
165.05475	1.7
165.06876	1.2
167.07059	100.0
169.06479	2.7
171.08078	1.8
172.05278	2.1
173.05989	2.7
175.03838	1.2
175.07561	32.8
176.04689	1.8
177.05449	4.1
178.07831	1.4
179.07048	7.8
179.08530	2.0
181.04994	2.5
185.05988	1.4
186.06721	1.2
187.07573	15.2
189.05495	4.0
189.07039	3.3
189.09134	1.9
190.07835	2.6
191.07062	14.4
191.08632	2.5
192.07759	1.3
193.08621	9.8
194.07173	1.2
199.07545	9.4
201.05557	1.1
201.09140	4.7
202.07841	3.0
203.06969	1.6
203.08626	3.3
205.06578	2.3
205.08565	2.0
206.07310	1.7
207.06467	2.5
207.08176	1.3
215.06862	1.2
215.08577	2.8
216.07803	1.9
218.07329	3.8
219.08089	7.5
219.10033	1.9
220.08838	2.6
221.06108	1.4
221.09645	3.6
229.08647	3.7
231.08116	5.1
232.08852	2.4
233.06100	2.0
233.09550	5.3
234.06750	4.5
235.07574	5.1
236.08380	3.0
237.09099	3.2
245.05952	1.5
246.06737	1.9
247.07628	6.5
248.08411	5.5
249.09189	5.8
250.06377	1.3
250.09782	1.9
251.10748	4.2
253.08516	1.1
258.06927	1.4
259.07565	4.0
260.08392	2.3
261.05371	2.6
261.09323	5.5
262.06232	1.3
262.09824	1.5
263.07019	2.9
263.10583	2.3
264.07852	4.6
265.08569	7.4
266.09348	1.2
273.09265	1.5
275.07047	3.2
275.10666	1.2
276.07803	10.5
277.08646	7.9
278.09381	3.7
279.10181	4.0
281.08127	1.7
281.11774	3.9
288.07855	1.9
289.08484	8.2
290.09314	3.6
291.10202	5.4
292.07523	1.4
292.10898	2.1
293.08054	5.1
293.11377	2.3
294.09024	1.7
295.09741	1.3
296.10364	1.3
297.32944	1.0
301.08627	1.9
304.07336	3.5
305.08163	3.5
306.08685	1.8
307.09695	10.8
308.10492	6.5
309.11337	6.3
311.09390	1.3
311.12808	3.0
319.09708	18.0
320.10443	4.3
321.07870	1.9
321.11234	9.5
322.11783	1.9
323.12653	8.4
325.14346	1.5
326.11484	1.3
336.09949	2.0
337.10635	1.9
337.14340	1.4
339.12292	37.5
340.12576	1.8
341.13943	11.8
351.12308	45.2
352.12790	1.9
353.13870	8.7
369.13147	6.0
385.80237	1.1
387.14191	2.2
537.40430	1.2
729.27075	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01874	1.5
61.37016	0.9
65.03943	12.6
67.05497	2.6
67.41022	0.8
69.03429	1.9
70.06593	1.9
71.12485	1.4
78.04695	1.8
79.05505	4.8
79.59528	1.0
80.24562	0.7
81.03427	2.2
82.04198	3.3
84.04521	1.0
84.08138	0.9
85.02435	1.0
85.02911	4.4
85.27442	0.8
89.03934	0.9
91.05495	7.6
93.03409	8.8
94.04211	1.1
95.01338	2.6
95.04986	1.7
97.02856	1.8
102.43244	0.9
103.05466	3.2
105.07052	7.2
106.04158	1.8
107.04980	8.0
109.02893	1.9
110.03674	13.5
111.04453	11.9
111.05141	1.6
114.10220	0.9
115.05463	5.2
116.06210	1.0
117.07021	0.9
119.04937	6.4
121.06511	1.6
122.03650	1.1
123.04442	3.9
124.05253	2.2
125.06001	16.1
127.03917	1.5
128.06247	2.5
129.07039	5.0
130.04192	1.5
131.04970	5.0
132.05705	1.9
133.02869	2.8
133.06491	4.0
136.05223	1.2
137.05981	10.6
140.51280	0.9
141.06921	0.9
144.05682	1.7
145.06525	2.3
146.03586	1.0
147.04427	9.3
147.08069	2.0
149.05986	1.6
150.88670	0.8
151.03897	2.4
151.07526	2.0
152.04732	1.7
153.05475	76.6
154.05815	1.9
155.04926	1.8
156.05762	1.3
159.08090	7.9
160.05223	1.6
161.05977	7.4
163.03888	1.5
163.07463	1.4
165.05553	1.5
165.06999	2.2
167.07042	45.3
171.04520	1.0
171.08035	1.7
172.05226	1.9
175.07561	11.8
177.05479	3.4
178.07814	2.0
179.07079	5.9
179.08473	1.3
185.06003	2.0
186.06749	2.4
187.07553	10.5
189.05458	3.8
189.07022	4.3
189.09105	1.2
190.07840	2.9
191.07021	3.8
191.08525	4.9
194.07237	1.2
199.07559	4.0
202.07791	2.8
203.08592	5.6
205.06479	2.4
206.07335	2.7
207.06438	2.2
207.08173	1.8
208.08820	1.5
214.06190	1.3
215.06929	1.9
216.07845	8.4
217.06578	1.9
217.08545	1.1
218.07294	3.3
219.08089	10.9
220.08824	5.8
221.05966	2.4
221.09637	3.0
223.07652	3.1
225.09425	1.1
229.08630	6.4
231.08044	3.9
232.08832	2.3
233.06012	3.9
233.09595	4.4
234.06705	3.8
235.07610	6.4
236.08264	5.4
237.09157	3.3
239.07030	1.3
243.08008	1.3
245.06026	2.9
246.06781	3.1
247.07538	6.8
248.08328	5.4
249.05473	1.7
249.09183	7.4
250.06422	1.1
250.09734	1.2
251.07008	2.2
251.10677	10.4
253.08791	1.7
257.88538	1.0
259.07559	3.2
260.08371	2.3
261.05502	2.1
261.09103	5.6
262.06293	1.6
262.09918	2.4
263.07074	4.8
263.10678	2.7
264.07870	9.7
265.08582	10.3
266.09171	2.0
273.09030	1.2
274.06229	1.4
275.07114	4.8
275.10080	0.8
276.07831	10.5
277.08481	7.6
278.09390	5.6
279.06903	1.9
279.10071	9.8
280.10846	2.1
281.08124	2.5
281.11734	4.9
288.07846	2.4
289.08636	4.4
290.09467	2.1
291.06912	1.5
291.10205	4.8
292.07239	2.9
292.10611	1.5
293.08081	5.4
293.11737	2.7
294.08694	2.3
295.09753	1.2
296.10355	1.2
304.07245	2.9
305.08023	3.3
306.08853	2.6
307.09653	36.8
308.10464	8.3
309.11237	6.0
310.11972	0.9
311.12833	2.4
319.09641	9.2
320.10397	1.8
321.07831	1.3
321.11139	5.7
323.12793	8.3
324.09891	1.2
337.10620	1.5
339.12292	100.0
340.12631	4.4
341.13934	12.6
351.12274	40.9
352.12811	2.8
353.13867	5.1
369.13263	3.2
499.17484	1.5
500.51172	1.2
656.09064	1.0
690.85413	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89694	0.9
53.03948	1.7
55.01876	2.1
55.05528	0.9
57.03442	1.0
59.84193	0.8
61.02932	1.7
62.13908	0.8
63.02397	0.9
65.03940	7.0
67.05500	1.2
69.03421	4.1
69.57072	6.1
70.06606	4.8
72.08160	1.8
78.04721	4.3
79.05504	6.8
80.12776	0.8
81.03417	2.4
82.04206	2.2
84.08133	3.4
85.02911	10.4
86.09704	1.8
90.04720	0.8
91.05483	10.8
93.03407	4.6
94.04212	1.1
95.01344	1.1
95.04948	2.8
97.02899	3.8
99.04441	1.6
102.04772	1.0
103.05473	6.5
104.06293	1.2
105.03412	1.2
105.07042	9.0
106.04189	1.8
107.04964	11.7
108.02116	0.9
109.02902	2.2
110.03680	6.7
110.07183	1.0
111.04449	5.7
115.05467	6.5
117.07037	1.3
118.04186	3.2
119.04955	7.9
119.08580	3.3
121.02861	0.8
121.06547	1.4
122.03656	1.4
123.04441	6.3
124.05209	2.5
125.06020	9.1
127.03930	3.5
128.06213	3.9
128.07085	0.9
129.05499	1.5
129.06999	6.4
129.10248	1.5
130.04173	1.9
131.04922	8.3
132.05669	4.0
133.02870	4.4
133.06497	7.7
135.04453	1.5
136.05162	1.2
137.05980	13.9
141.06998	2.1
143.04956	1.3
143.06065	1.0
144.05727	2.1
145.04965	1.1
145.06438	2.2
146.03592	0.9
146.74930	1.1
147.04431	11.2
147.08075	4.1
149.06015	2.2
151.03923	2.7
151.07571	2.3
152.04684	3.1
153.05476	34.6
155.04944	1.2
156.05699	1.7
159.08069	7.1
160.05217	2.4
160.08780	1.0
161.06004	13.0
163.07584	3.3
165.05513	2.1
165.06903	1.3
167.07051	100.0
168.05754	1.2
169.06511	2.3
171.04553	1.1
171.08090	2.4
172.05252	1.8
173.06064	2.3
175.07568	36.8
176.04677	2.3
177.05518	2.2
178.07800	2.2
179.07037	10.8
179.08542	1.2
181.04956	1.1
183.06607	1.4
184.05182	2.3
185.05992	1.9
186.06805	1.8
187.07558	17.7
189.05453	5.4
189.07091	2.5
189.09018	1.4
190.07809	3.8
191.07051	17.6
191.08597	3.9
193.06967	1.4
193.08595	8.6
199.07564	13.5
201.09106	4.3
202.07805	4.3
203.06987	1.4
203.08606	5.3
204.09386	1.7
205.06573	2.4
205.10204	1.5
206.07288	3.3
207.06525	2.6
207.08212	1.8
208.08846	1.6
211.65283	1.0
215.06833	1.4
215.08572	3.8
216.07819	2.5
217.06578	1.8
218.07295	6.1
219.08070	10.1
220.08862	3.5
221.05994	2.4
221.09639	3.5
222.06656	1.4
223.07619	1.6
229.08598	2.6
230.07365	2.1
231.08058	6.7
232.08856	3.9
233.05957	3.1
233.09668	6.2
234.06642	4.3
235.07535	7.0
235.11162	1.2
236.08191	5.1
237.09155	2.4
243.08141	2.0
245.05992	1.8
245.09833	1.0
246.06805	3.2
247.07597	6.6
248.08342	6.1
249.05351	1.4
249.09091	8.4
250.06456	0.9
250.09790	2.3
251.07140	2.2
251.10718	8.4
253.08795	1.1
257.06073	1.4
258.06757	1.9
259.07578	4.3
260.08395	2.4
261.05579	3.3
261.09116	7.7
262.06445	1.6
262.09711	2.0
263.07025	4.5
263.10681	3.7
264.07800	6.6
265.08545	10.3
266.09265	2.0
273.09128	2.5
274.06277	1.9
275.07043	3.8
276.07819	12.9
277.08612	8.4
278.06323	1.1
278.09247	4.9
279.06821	1.8
279.10193	5.9
280.10791	1.3
281.08295	1.8
281.11761	4.6
287.07022	1.3
288.07852	2.8
289.08585	7.7
290.09320	4.2
291.06888	1.4
291.10187	7.5
292.07355	2.0
292.10922	0.9
293.08102	6.7
293.11697	3.3
294.08936	1.7
295.09601	1.4
301.08762	2.5
304.07343	4.0
305.08136	4.7
305.11276	1.3
306.08786	3.6
307.09644	20.9
308.10434	7.3
309.11203	5.1
311.12735	4.7
318.08932	1.3
319.09662	23.0
320.10422	4.1
321.07657	1.9
321.11185	10.4
322.11935	2.0
323.09299	2.0
323.12802	9.1
324.09903	1.4
325.14417	1.6
336.09842	1.6
336.13571	1.2
337.10803	2.1
339.12299	62.7
340.12656	1.5
341.13895	11.9
351.12286	59.9
352.12726	2.9
353.13861	10.8
355.15320	2.5
369.13416	5.8
392.92542	1.0
405.07623	1.1
499.17145	1.6
749.22949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01873	1.3
55.05516	9.3
57.03443	6.4
57.07053	1.5
61.02926	2.3
65.03941	1.3
67.05508	42.3
69.03412	1.8
69.07076	9.5
71.05003	8.9
71.52427	1.5
73.02915	0.9
79.05500	29.1
79.21608	0.9
79.37084	1.1
81.03415	1.8
81.07061	28.6
83.04971	3.1
83.08606	3.1
85.02908	2.4
91.05484	16.1
92.38216	0.9
93.07048	32.6
95.04984	2.4
95.08611	100.0
97.02888	1.0
97.06524	2.6
97.10180	1.6
103.03956	1.7
105.04507	1.4
105.07037	10.9
107.08599	15.3
109.06543	1.3
109.10148	8.0
117.07016	3.3
119.08593	6.7
121.10154	17.8
123.08078	7.9
123.11694	1.6
131.08592	6.8
133.10115	6.7
135.11682	5.6
139.11325	1.1
141.09097	3.9
143.08528	1.2
145.10156	3.2
147.11652	3.1
149.09654	2.6
149.13264	2.9
155.10631	1.4
155.48260	0.9
157.10143	1.5
159.10194	3.1
159.11673	2.6
161.13228	2.1
167.10793	1.3
171.11790	1.1
172.01199	1.0
173.11888	1.1
173.13292	2.1
197.11650	1.0
202.33104	1.2
241.14363	3.8
252.45877	1.2
261.22144	2.5
273.16953	13.6
278.50995	0.9
317.24692	1.2
335.25809	22.4
383.29385	2.5
457.33215	2.1
475.34232	80.7
476.34573	4.9
489.35736	1.8
501.35959	8.0
502.37686	1.3
533.38416	41.4
534.38739	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.01873	1.3
55.05516	9.3
57.03443	6.4
57.07053	1.5
61.02926	2.3
65.03941	1.3
67.05508	42.3
69.03412	1.8
69.07076	9.5
71.05003	8.9
71.52427	1.5
73.02915	0.9
79.05500	29.1
79.21608	0.9
79.37084	1.1
81.03415	1.8
81.07061	28.6
83.04971	3.1
83.08606	3.1
85.02908	2.4
91.05484	16.1
92.38216	0.9
93.07048	32.6
95.04984	2.4
95.08611	100.0
97.02888	1.0
97.06524	2.6
97.10180	1.6
103.03956	1.7
105.04507	1.4
105.07037	10.9
107.08599	15.3
109.06543	1.3
109.10148	8.0
117.07016	3.3
119.08593	6.7
121.10154	17.8
123.08078	7.9
123.11694	1.6
131.08592	6.8
133.10115	6.7
135.11682	5.6
139.11325	1.1
141.09097	3.9
143.08528	1.2
145.10156	3.2
147.11652	3.1
149.09654	2.6
149.13264	2.9
155.10631	1.4
155.48260	0.9
157.10143	1.5
159.10194	3.1
159.11673	2.6
161.13228	2.1
167.10793	1.3
171.11790	1.1
172.01199	1.0
173.11888	1.1
173.13292	2.1
197.11650	1.0
202.33104	1.2
241.14363	3.8
252.45877	1.2
261.22144	2.5
273.16953	13.6
278.50995	0.9
317.24692	1.2
335.25809	22.4
383.29385	2.5
457.33215	2.1
475.34232	80.7
476.34573	4.9
489.35736	1.8
501.35959	8.0
502.37686	1.3
533.38416	41.4
534.38739	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47205	1.1
55.05505	3.3
57.07082	31.0
67.05504	3.4
69.07069	6.9
70.64201	2.2
70.64571	2.2
71.08640	28.2
73.06566	10.5
79.05479	1.7
81.07052	4.1
83.08637	5.2
85.10188	20.1
87.04074	1.0
87.04484	10.7
89.06038	100.0
95.08601	4.4
97.10178	9.3
99.11734	2.6
102.32941	1.0
107.07047	1.3
107.08565	1.5
107.67364	1.1
109.10197	1.4
111.11741	4.2
113.13290	1.5
117.09153	8.3
125.13288	2.0
128.88257	1.0
130.08658	1.8
131.07010	2.7
133.08614	52.5
134.86552	1.1
135.10173	1.5
141.16357	1.3
141.31868	1.3
161.11708	2.0
166.43536	1.2
169.71623	1.0
175.09671	2.8
177.11237	22.8
184.07321	1.6
211.24260	2.7
221.13844	4.7
255.26886	1.8
265.16550	1.7
270.01788	1.1
271.18997	2.2
283.17624	1.3
299.29486	4.9
333.51990	1.1
337.27368	3.1
343.32159	3.0
533.41956	2.8
601.50812	1.3
713.53516	2.9
730.56177	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01865	0.3
55.05511	1.5
57.03438	2.2
61.02931	4.9
65.03947	0.2
66.84037	0.2
67.05508	5.7
69.03434	3.1
69.07069	1.8
69.17056	2.4
69.43661	0.2
71.01341	0.4
71.05000	0.5
73.02926	4.4
79.05493	3.8
80.98695	0.2
81.03421	1.5
81.07056	6.2
81.12466	0.2
83.05008	0.5
83.08614	0.7
85.02908	5.2
87.04478	0.3
91.03951	2.9
91.05479	2.3
93.07050	4.7
93.24807	0.2
95.04953	0.7
95.08606	3.6
97.02893	4.4
97.06528	0.5
98.21606	0.2
99.04470	0.5
101.02389	1.5
103.03951	0.5
105.07032	1.1
107.08602	2.6
109.02895	0.9
109.10165	1.3
111.08102	0.4
115.03964	0.4
117.07008	0.6
119.04925	0.3
119.08606	1.0
121.10155	2.0
123.11742	0.4
127.03917	0.9
131.08588	0.9
133.10162	0.7
135.11708	1.1
140.88347	0.2
145.10126	0.6
147.04427	0.9
147.11627	0.3
149.13255	1.2
159.11742	0.7
161.13235	0.3
173.13220	0.3
185.04211	0.4
203.05316	0.4
235.13147	1.0
243.08401	1.7
261.22253	0.3
279.23642	0.3
335.25879	0.6
347.47913	0.3
453.20941	3.9
453.26758	0.3
519.29279	8.0
520.29242	0.2
710.32440	0.3
731.43408	100.0
732.43719	6.0
733.04309	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.9
69.77487	3.2
70.06575	1.2
71.88502	0.6
78.04712	0.7
79.05486	0.8
81.07077	1.2
81.17379	0.6
84.08111	0.8
86.09694	2.1
89.03915	12.9
91.05458	2.3
95.04970	0.7
99.04476	0.6
103.05460	1.4
105.06980	0.9
106.04166	0.7
107.04955	7.2
108.05286	1.8
116.40803	0.6
117.03385	32.5
117.07062	0.7
119.04916	0.7
121.06471	1.1
131.04903	1.2
133.06483	2.5
134.03609	2.7
135.04398	2.1
137.05983	18.7
145.02847	64.8
146.03192	0.7
147.04315	1.0
149.05988	10.5
150.06334	0.7
151.07552	2.7
158.06090	0.7
161.05962	1.3
163.03882	0.7
163.07500	3.1
171.08028	0.8
175.07526	1.2
177.05473	100.0
178.05820	1.2
186.05496	2.0
189.09102	3.4
191.07034	2.6
193.08685	1.1
203.10648	3.4
205.04959	1.4
207.06580	0.9
209.08098	3.4
210.08458	1.5
247.06108	3.0
264.76511	0.6
293.63925	0.7
295.13239	2.2
326.83789	0.7
327.15863	3.8
353.10275	0.9
517.86139	0.7
537.91425	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76005	0.7
70.06599	5.0
71.40702	0.9
71.51056	1.2
78.04715	0.9
84.04523	1.0
84.08159	0.8
86.09711	4.0
89.03922	11.0
90.04233	0.7
91.05475	2.6
95.04906	0.8
103.05431	0.9
105.07036	1.0
106.04198	1.1
107.04953	4.8
109.00158	0.7
117.03380	35.4
117.08739	0.7
120.08070	0.9
121.06522	1.0
121.87539	1.0
122.03672	1.6
129.07033	0.9
131.04913	1.8
133.06500	1.8
134.03627	2.4
135.04405	2.1
137.05981	19.0
143.08469	0.9
145.02847	71.2
149.05972	10.0
151.07553	2.1
163.07634	1.8
175.07608	1.1
177.05475	100.0
178.05835	1.8
186.05522	2.3
189.09131	2.8
191.07037	1.1
203.10699	2.7
209.08096	2.1
247.06029	2.4
295.13287	1.9
327.15979	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	733.4503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10728	0.5
52.13965	0.6
53.03950	0.6
53.08097	0.5
55.05505	0.9
57.03442	2.0
57.07085	0.6
58.84440	0.6
61.02931	4.8
67.05505	5.3
69.03436	3.1
69.07078	2.1
70.29443	0.5
71.23038	0.8
73.02908	3.1
73.51784	0.6
79.05479	2.9
81.03436	1.9
81.07057	5.9
83.04990	0.7
83.08622	1.0
85.02908	4.9
87.04494	0.7
91.03968	3.3
91.05484	1.5
93.07050	3.9
95.08615	4.5
97.02899	4.0
101.02400	2.4
105.07022	1.2
107.08624	2.1
109.02911	0.8
109.10183	1.5
119.08646	0.6
121.10168	1.8
127.03950	1.4
127.75474	0.6
133.10213	0.6
149.13274	1.6
159.11723	0.8
179.00842	0.6
184.07446	0.8
235.13091	1.2
243.08466	1.6
337.27374	0.7
453.20972	7.4
521.30853	5.6
560.06104	0.6
733.44934	100.0
734.45709	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	733.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05515	1.5
57.03443	1.8
61.02931	5.0
65.36263	0.4
67.05506	5.6
69.03435	2.6
69.07069	1.6
71.05000	1.0
71.51562	0.6
72.86649	0.4
73.02924	4.0
79.05500	3.1
81.03419	1.5
81.07058	7.0
83.08622	1.3
85.02914	6.0
85.06555	0.5
91.03963	3.2
91.05485	1.1
93.07037	2.9
95.08604	7.3
95.09173	0.5
97.02899	4.7
97.06544	0.4
99.04464	1.0
101.02372	2.3
105.07039	0.9
107.08624	1.1
109.02898	0.8
109.10142	2.8
115.03914	0.7
119.08576	1.3
121.10160	1.1
123.11643	0.6
127.03923	1.5
127.39912	0.4
131.08580	0.8
133.10147	0.9
135.11664	0.7
161.13289	0.8
185.04321	0.4
191.41696	0.4
203.05292	0.6
233.72998	0.4
237.14700	0.9
241.42635	0.4
243.08424	1.9
357.56107	0.4
455.22543	5.8
479.36771	0.5
519.29333	7.5
537.41528	1.1
733.44971	100.0
734.45148	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	734.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.05514	1.1
59.05003	0.8
65.03952	0.7
66.04726	0.5
67.05489	0.6
68.99773	0.3
69.03427	1.0
69.07071	1.2
69.79830	1.0
69.80241	0.5
70.06604	1.3
71.04610	0.3
71.04998	5.6
73.06557	1.9
78.90104	0.3
79.05495	3.0
81.03406	1.8
81.07062	9.3
84.08151	0.8
85.02904	1.8
86.09718	0.8
87.00851	0.8
89.15530	0.2
91.05464	1.6
93.07046	5.8
94.04190	2.7
95.04975	0.3
95.08638	1.3
97.02895	1.4
97.06553	0.7
99.04453	0.5
103.05492	0.4
105.07079	0.6
107.04940	0.8
107.08595	4.8
109.02900	2.1
109.06537	0.4
109.10143	1.2
111.04441	0.6
122.03651	6.3
127.03923	2.9
129.10240	0.4
131.04947	0.4
135.04399	0.3
135.10875	0.2
135.11693	9.8
137.05986	100.0
138.06351	1.5
141.01839	0.3
145.04984	0.5
147.04414	0.4
149.06003	0.4
153.12753	46.2
154.13092	0.7
159.02873	0.3
161.06009	0.5
163.03940	0.4
163.07587	0.4
177.05473	0.7
181.04990	0.3
189.73299	0.2
191.06924	0.3
203.06964	0.3
213.03914	0.3
215.07091	0.3
217.08562	0.4
222.36992	0.3
227.07118	0.3
231.04980	0.4
241.14812	0.3
245.08122	0.5
251.41759	0.2
273.05896	0.3
312.13116	0.4
316.76401	0.2
357.08063	0.5
375.09180	1.0
380.09674	0.3
700.11188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
58.59853	0.6
63.96181	0.5
65.21088	0.5
68.99715	0.6
69.34570	2.7
69.34990	1.9
79.05513	0.8
81.03428	10.4
84.39328	0.6
85.02899	1.2
85.85335	0.6
91.05485	61.6
92.05803	0.7
94.70106	0.5
97.02894	4.9
99.04460	1.8
99.89262	0.6
105.03404	1.3
105.07039	2.0
109.02882	20.7
115.05470	5.1
117.07001	3.3
117.18928	0.6
119.04958	2.2
127.03927	32.3
133.06509	11.3
134.93605	0.6
143.04955	3.0
145.06450	1.3
161.05986	100.0
162.06334	1.5
169.04953	9.6
171.04422	7.0
179.07030	17.2
189.05476	5.1
207.06491	0.7
211.05991	1.0
223.07640	0.6
229.07083	4.7
249.07585	7.8
269.08038	2.0
287.09186	3.7
289.09390	0.7
297.32224	0.7
315.08786	4.5
333.09515	1.1
347.11209	1.0
364.70038	0.5
435.12601	1.1
461.95691	0.5
468.98438	0.6
470.90741	0.5
495.15152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01873	0.5
65.03943	0.6
69.03426	0.8
70.46257	1.0
71.04987	0.8
78.37974	0.3
81.03426	11.5
85.02924	1.8
91.05486	63.1
92.05814	0.7
97.02899	5.3
99.04472	1.7
105.03405	1.3
105.07034	2.0
109.02889	21.7
115.05463	5.8
117.07030	3.9
119.04951	1.7
127.03925	30.9
133.06499	10.0
133.07468	0.7
139.03906	0.8
143.04904	3.1
145.06506	1.2
145.87778	0.3
147.04417	0.5
153.06953	0.4
161.05988	100.0
162.06337	1.2
164.32959	0.3
169.04984	10.1
169.06392	0.7
171.04407	6.2
171.07974	0.5
179.07039	16.4
187.06129	0.6
189.05479	4.2
199.07495	0.7
207.06596	1.0
209.06032	0.5
211.05922	0.6
221.08138	0.6
223.07529	0.7
226.55226	0.4
229.07065	5.4
231.06419	0.4
243.10054	0.4
249.07613	7.8
251.07132	0.4
254.63254	0.4
257.08136	0.5
269.08115	1.9
287.09152	3.9
296.94577	0.4
297.07458	0.4
315.08600	5.7
333.09555	0.4
347.11121	0.9
375.10886	0.8
435.13022	0.6
495.14963	0.9
508.34799	0.4
701.20105	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.6
55.01872	0.7
61.44250	0.3
61.85481	0.3
65.03928	0.4
68.99799	0.4
70.45484	0.6
71.04975	0.8
81.03423	12.4
85.02911	1.5
91.05484	58.2
92.05804	0.7
97.02898	5.9
99.04453	1.4
103.05466	0.4
105.03403	1.4
105.07044	2.3
109.02885	21.3
115.05457	5.7
117.07030	4.7
118.08965	0.3
119.04942	1.7
127.03923	29.1
133.06497	10.3
139.03902	0.4
143.04916	2.6
145.04878	0.3
145.06491	1.4
147.04387	0.4
157.06442	0.4
157.81100	0.3
159.04347	0.4
160.27132	0.3
161.05984	100.0
162.06300	1.8
169.04977	10.4
171.04410	6.5
179.07040	16.4
181.06476	0.6
183.08012	0.5
187.06018	0.9
189.05486	4.9
195.07961	0.4
199.07550	0.7
207.06541	0.7
211.05923	0.7
221.08009	0.3
223.07478	0.6
229.07088	4.1
231.06624	0.5
243.10098	0.6
249.07584	7.9
251.07065	0.4
259.28836	0.4
269.08179	1.5
287.09143	3.5
289.09140	0.9
315.08566	5.8
332.15738	0.3
333.09680	0.7
347.11166	0.7
375.10709	1.4
407.13782	0.4
435.12717	0.6
481.47098	0.3
495.14774	1.3
572.67145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01875	0.5
65.03933	0.6
68.99789	0.3
69.03441	0.7
70.06599	0.3
70.66402	0.3
71.04996	0.9
71.11710	0.6
81.03422	13.1
83.04970	0.4
85.02915	1.2
86.09719	0.3
88.75571	0.3
91.05484	57.8
92.05817	0.9
94.46931	0.3
97.02898	5.6
99.04454	2.3
103.03931	0.3
105.03407	1.4
105.07022	2.0
109.02886	22.7
115.05460	5.5
116.31534	0.3
117.07033	4.4
119.04948	2.4
127.03922	32.3
131.05006	0.3
133.06499	9.8
139.03894	0.5
141.05486	0.5
143.04915	2.5
145.06503	1.0
147.04436	0.3
153.07010	0.4
153.99680	0.3
157.06511	0.3
161.05984	100.0
162.06334	1.3
162.93834	0.3
167.08443	0.3
169.04977	9.1
171.04411	7.5
171.07986	0.4
179.07048	16.1
183.08041	0.6
187.06004	0.6
189.05492	5.1
195.08023	0.3
199.07552	0.4
207.06514	0.6
209.05910	0.6
211.05865	0.5
221.08047	0.5
223.07562	0.5
229.07120	4.0
231.06531	0.4
239.07065	0.5
241.08614	0.3
249.07593	7.5
251.07030	0.5
269.08084	1.6
287.09180	3.8
289.09186	1.0
304.48669	0.3
315.08588	5.0
333.09805	0.8
347.11203	0.6
375.10745	1.2
435.12973	0.5
495.14819	1.1
500.01196	0.3
523.47528	0.4
528.92285	0.3
701.21564	0.5
729.06934	0.3
745.57318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43016	0.4
53.03941	1.8
55.01863	1.2
62.22643	0.4
65.03917	0.6
69.03420	1.0
70.11784	2.0
70.71672	0.4
71.05013	0.5
74.33804	0.4
81.03418	13.0
81.07047	0.5
83.01340	0.4
85.02912	1.6
86.09734	0.5
91.05479	60.8
97.02894	5.6
99.04449	2.8
101.55764	0.4
103.80581	0.4
105.03389	1.3
105.07021	2.6
109.02882	21.8
111.05366	0.4
113.68629	0.4
115.05444	5.0
117.07027	4.9
119.04947	1.9
127.03916	31.6
129.07014	0.7
133.05498	0.4
133.06488	9.1
139.03848	0.5
143.04926	2.7
145.06473	1.5
145.24745	0.4
161.05977	100.0
162.06334	1.4
169.04965	10.3
171.04408	6.4
179.07022	16.2
187.06020	0.5
189.05475	4.1
199.07527	0.5
207.06587	1.0
209.06078	0.5
211.05923	0.8
221.08104	0.6
227.06993	0.6
229.07065	4.6
249.07588	7.8
269.08087	1.4
287.09180	4.4
288.69388	0.4
289.09082	0.8
297.07562	0.7
315.08578	5.0
333.09531	0.6
375.10480	0.9
435.12793	0.6
495.14441	1.1
701.20941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
65.03944	0.9
68.99749	0.4
69.03460	0.5
69.87477	2.0
71.05010	0.5
72.39582	0.4
81.03422	12.8
82.36178	0.4
83.01329	0.4
83.24113	0.4
83.28985	0.4
85.02921	1.0
91.05486	57.7
92.05865	0.6
95.26184	0.4
97.02898	6.1
99.04450	1.7
105.03381	1.2
105.07034	2.0
109.02886	22.9
113.52262	0.4
115.05462	5.9
117.07030	4.3
119.04937	2.3
127.03926	30.5
129.06947	0.4
131.04890	0.5
133.06499	10.1
143.04939	2.6
145.06509	1.0
147.04407	0.5
161.05988	100.0
162.06349	1.2
164.09689	0.5
167.08444	0.5
168.24747	0.4
169.04971	10.9
171.04401	6.2
171.08087	0.4
179.07048	17.2
181.06419	0.5
189.05490	4.9
204.34100	0.5
207.06522	0.5
209.06052	0.6
211.06026	0.9
223.07387	0.4
229.07060	4.4
241.08549	0.5
241.76662	0.4
249.07602	9.0
269.08038	2.1
269.71478	0.4
273.36267	0.5
287.09198	4.0
289.09296	1.0
299.80859	0.4
305.10095	0.6
315.08630	6.1
326.37476	0.5
347.11243	0.5
357.09790	0.5
375.10855	1.3
435.13025	1.2
495.15057	1.2
701.21045	0.6
768.43042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.05310	1.0
55.05514	11.5
57.03435	4.5
57.07082	33.4
57.23087	0.9
59.05002	1.1
60.40430	1.0
61.02928	2.5
65.03925	1.3
67.05508	44.1
68.26495	1.0
69.03424	2.2
69.07069	11.0
69.28461	10.9
71.04994	18.5
71.08636	25.7
79.05496	11.0
81.07058	79.6
83.04974	3.4
83.08624	14.1
85.02895	2.1
85.06551	7.3
85.10184	14.0
91.05489	17.5
93.07039	10.4
95.04957	1.2
95.08616	26.9
97.02296	1.1
97.02916	3.2
97.06512	3.3
97.10173	4.2
105.07030	7.4
105.29965	1.2
107.08595	7.2
109.06454	1.3
109.10162	14.8
111.08060	1.3
111.11722	1.1
112.87706	1.1
117.07027	2.1
121.10130	3.9
123.11703	17.2
131.08604	3.6
133.10130	14.0
135.11732	1.9
140.85817	1.0
149.13228	3.7
151.11171	6.4
159.11694	5.0
177.12724	2.1
183.13887	3.8
187.13287	4.0
195.13826	1.3
203.47083	1.0
239.23665	2.2
257.17465	1.7
269.17447	4.0
285.16830	1.2
301.20114	22.0
313.27341	20.1
481.38901	95.3
482.38947	3.6
495.40509	4.6
507.40424	7.0
539.43091	100.0
540.43378	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	738.479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56728	1.4
53.03942	5.8
53.84495	1.4
55.01860	1.5
55.05513	14.3
56.05038	14.7
57.03427	7.3
57.07081	2.0
60.03581	1.8
64.02051	1.5
65.03951	2.1
67.05507	53.1
69.07064	11.8
69.82976	5.0
69.83388	3.5
71.04944	2.0
79.05496	50.3
80.35754	1.5
81.03391	3.3
81.07063	41.2
83.04980	8.1
83.08607	5.7
85.06528	3.9
91.05484	39.6
93.07044	49.2
94.13800	1.4
95.04948	10.5
95.08610	27.3
97.06528	3.6
97.10177	1.8
100.56213	1.5
101.07123	1.8
102.05550	46.2
105.04463	2.0
105.07034	27.4
105.98142	1.7
106.07420	1.8
107.04964	2.6
107.08587	18.5
109.06489	1.9
109.10171	8.9
117.06998	6.0
119.08577	16.0
121.06490	3.0
121.10171	10.8
123.08066	2.8
123.11716	1.6
124.32426	1.5
129.06996	8.1
131.08557	5.8
133.10106	10.3
135.11693	6.7
141.08661	1.4
143.08546	5.8
143.89366	1.9
145.10130	7.8
147.11685	20.5
159.11717	3.8
161.09593	2.4
161.13252	6.2
163.14803	1.9
171.11697	13.4
173.13171	2.3
187.14745	1.9
189.12740	5.3
207.13814	15.5
225.14832	2.1
246.49629	1.7
261.22122	5.1
281.17484	36.9
335.25815	47.1
337.02393	2.5
525.17169	1.7
541.38922	100.0
542.39380	5.9
581.24091	2.5
637.30475	3.0
738.47247	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	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
54.02943	0.5
55.01877	2.8
55.05514	12.4
55.05768	0.6
57.03441	7.4
57.07044	1.6
59.78759	0.5
61.02919	0.7
65.03908	1.9
67.05507	37.3
69.03403	1.3
69.07074	10.8
71.04953	2.1
71.05307	0.6
71.52058	0.4
71.52477	0.7
77.03931	0.6
79.05497	35.0
81.03395	1.2
81.07059	42.7
83.04951	2.3
83.08629	8.6
85.02891	0.9
85.06522	1.0
85.52833	0.4
91.05482	15.2
93.07047	45.0
94.07320	0.6
95.04974	4.7
95.08611	46.0
97.02895	2.5
97.06550	3.7
97.10162	1.1
98.13306	0.5
99.04437	2.3
99.08089	0.8
105.04527	1.2
105.07037	12.2
107.04953	4.4
107.08601	28.6
109.06474	1.7
109.10160	12.5
111.04414	0.8
111.08033	1.8
113.06010	0.7
113.09572	0.6
117.06240	0.7
117.07011	8.5
119.08594	12.8
121.06532	3.1
121.10145	16.0
123.08044	0.7
123.11714	2.7
125.05952	1.9
130.07726	1.6
131.08554	5.2
133.10147	5.7
135.08067	2.5
135.11700	37.6
136.12057	0.8
137.13245	0.8
139.07533	1.1
139.11169	0.5
143.08545	1.4
145.10126	24.4
147.11687	2.5
149.13339	2.8
153.12685	0.6
159.11659	1.7
161.13219	2.1
163.11189	40.4
164.11511	1.1
173.09595	0.8
173.13257	1.7
175.14706	1.0
175.38789	0.5
177.16411	0.9
181.12248	7.0
187.14839	0.9
191.10695	0.5
209.11668	1.3
227.12791	56.5
228.13181	1.2
240.22275	0.5
243.21179	2.5
261.22137	8.1
283.15408	48.8
284.15744	1.1
306.27841	0.9
317.24664	1.9
335.25815	100.0
336.26181	4.0
543.36835	73.6
544.37213	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	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85226	1.4
53.03943	7.0
55.01877	8.6
55.05515	11.3
55.75159	2.1
57.03443	3.0
65.03962	2.3
67.05510	28.7
69.07069	17.2
69.74606	1.5
71.04981	2.1
71.51618	2.8
77.99219	1.6
79.05493	23.8
81.03404	4.3
81.07063	42.8
83.04982	5.1
83.08624	7.5
87.79150	1.8
91.05487	29.5
93.07054	31.1
95.01323	3.7
95.04985	2.7
95.08612	18.1
97.06543	16.5
102.55264	1.7
105.07038	36.1
107.04964	6.8
107.08602	16.4
109.06519	3.4
109.10188	3.8
111.08118	3.2
116.28698	1.9
117.07046	7.8
119.08595	17.5
121.06512	3.6
121.10154	12.8
125.09644	2.2
129.07018	1.8
131.08560	12.5
133.10143	18.3
135.08041	1.7
135.11697	5.7
139.07547	1.8
143.08653	3.6
144.09479	1.7
145.10138	10.3
147.11678	7.0
149.09628	3.6
149.13268	10.0
159.11702	6.7
161.13255	3.7
163.11139	2.5
171.11691	2.0
177.12717	2.1
179.14336	6.0
195.13895	2.2
243.91138	2.0
257.19125	2.8
269.17480	34.9
275.20074	35.2
279.15875	2.6
349.23776	12.0
543.36890	100.0
544.37134	6.4
605.20343	1.8
687.12439	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2026
Annotation	Kaempferol 3-rhamnosyl-(1->6)(2''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.03941	0.5
57.03422	0.6
65.03928	1.5
69.03423	1.8
70.06596	2.9
71.04998	4.9
71.51329	0.4
72.08154	0.4
81.03411	2.8
81.07050	0.8
83.04988	0.6
83.79760	0.4
84.04511	0.4
84.08134	1.2
85.02907	6.2
86.09708	1.5
91.05486	8.8
95.08600	0.6
97.02930	0.6
99.04436	0.7
107.04960	0.7
107.08591	0.8
109.02891	1.6
111.04462	0.5
118.32418	0.4
119.04943	19.0
119.08610	0.6
120.05322	0.6
120.08091	0.5
121.01859	0.4
121.02855	0.9
121.10152	0.5
127.03923	1.4
129.05493	0.9
129.10225	0.8
131.04929	0.8
133.10132	1.0
137.06010	0.7
137.09636	0.6
147.04413	100.0
148.04762	1.0
151.11185	0.6
153.01839	0.7
158.04048	0.3
161.05960	0.4
165.05484	4.4
165.12769	0.5
167.07025	0.6
175.07564	0.4
190.97900	0.4
191.14334	0.8
209.15460	1.4
213.05447	0.4
258.05264	0.4
287.05521	21.0
288.05850	0.5
291.08667	2.7
309.09674	3.9
329.06589	1.0
370.26465	0.4
624.57367	0.4
662.22003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2236
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03964	0.5
55.05500	0.7
57.03437	2.3
61.02905	0.5
69.03416	1.6
70.54662	1.0
71.01347	0.3
71.04998	11.3
73.02904	1.1
75.04485	0.7
77.03529	0.4
78.65493	0.3
81.03402	0.7
83.04987	2.7
85.02911	15.7
95.04958	0.4
97.02895	1.2
99.04455	1.0
109.02889	0.8
111.00759	0.8
111.04465	2.0
113.06026	0.4
117.05476	0.6
121.02867	2.4
127.03923	1.0
129.05482	4.2
137.02364	0.4
145.04951	0.9
147.06529	1.8
153.01814	2.7
153.05484	1.0
163.06035	0.7
165.01866	1.4
183.02730	0.4
197.06091	0.4
213.05441	0.8
231.06563	0.4
239.09145	0.8
241.04826	0.4
258.05170	0.5
287.05515	100.0
288.05826	3.0
296.53134	0.4
299.05463	0.9
329.06665	1.0
397.09073	0.6
433.11288	0.9
449.10892	1.2
461.78528	0.4
488.71655	0.4
493.65329	0.5
502.64838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05491	0.6
57.03437	2.4
61.02924	0.3
62.03330	0.2
65.98064	0.2
68.99799	0.4
69.03434	1.7
70.06585	0.3
70.68533	0.3
70.68861	0.6
71.01348	0.5
71.04994	12.3
72.34917	0.2
73.02922	1.4
75.04458	0.7
79.73338	0.2
81.03420	0.6
83.04980	3.7
84.08135	0.2
85.02904	18.1
87.04455	0.7
95.04948	0.4
97.02892	1.0
99.04436	1.0
107.04910	0.3
109.02870	0.6
111.00804	0.6
111.04446	2.4
113.05975	0.6
117.05461	0.7
121.02878	1.8
121.06505	0.2
122.20317	0.3
127.03907	0.8
129.05473	4.4
133.02863	0.6
137.02333	0.6
139.27049	0.2
145.04939	0.8
147.04393	0.4
147.06525	2.0
153.01839	2.3
153.05475	0.7
163.06013	0.8
165.01819	1.4
171.04729	0.2
171.06415	0.5
183.02893	0.6
185.06010	0.4
191.38989	0.2
201.07611	0.4
213.05475	1.0
231.06505	0.5
239.09200	0.9
241.04938	0.7
258.05344	0.8
259.06033	0.3
275.11102	0.4
287.05496	100.0
288.05817	2.1
299.05478	0.3
329.06488	1.2
353.06308	0.4
397.09219	0.6
433.11145	0.9
449.10803	1.0
551.17413	0.3
623.29956	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01858	2.4
55.05519	16.5
57.03204	1.1
57.03444	12.9
57.07076	1.7
61.02927	2.0
63.74020	1.1
65.03913	1.7
66.86996	1.2
67.05508	46.2
69.03423	3.6
69.07074	10.2
69.86602	1.2
71.04975	2.6
74.17874	1.1
79.05501	36.7
79.84105	1.2
81.03429	37.4
81.06593	2.4
81.07062	47.2
83.04987	11.9
83.08633	17.5
85.02913	16.2
91.03979	1.3
91.05494	22.7
93.06487	2.3
93.07053	33.6
95.04966	20.5
95.08620	27.7
97.02897	3.8
97.06554	2.7
97.10158	3.8
105.06394	1.9
105.07043	22.9
105.11301	1.1
107.04945	2.1
107.08608	18.0
109.06529	2.4
109.10168	13.1
111.08105	6.0
113.06023	2.1
117.06989	4.2
118.13023	1.2
119.08601	16.5
121.10153	15.0
123.08076	1.6
123.11713	5.0
125.09661	1.8
129.07025	5.3
131.08582	11.0
133.10149	10.0
135.11722	7.9
137.09596	1.6
142.07773	1.4
145.10121	3.9
147.11679	11.7
149.09599	4.0
149.13260	1.8
157.10144	7.8
159.11746	3.6
161.13283	2.1
163.11195	1.2
165.12712	1.9
167.77931	1.3
173.13272	3.0
175.11198	7.8
184.07329	2.0
193.12262	26.9
211.13306	39.0
227.12787	3.1
228.94315	1.4
243.21184	2.2
261.22180	8.5
267.15857	7.3
285.16977	34.0
317.24609	1.5
323.23404	1.3
335.25821	68.3
336.26114	4.8
453.33417	1.6
462.85281	1.5
527.37262	7.4
544.35126	1.3
545.38422	100.0
546.38690	4.4
638.52289	1.3
695.72168	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01876	3.2
55.05517	16.9
57.03444	15.8
57.07076	1.5
61.02913	4.0
65.03936	3.2
67.05509	44.7
69.03426	5.2
69.07072	11.5
70.30770	5.0
71.04992	5.9
79.05499	38.3
81.03424	49.9
81.07063	50.2
83.04993	12.6
83.08624	19.0
85.02910	16.4
85.06542	2.1
91.05492	34.2
93.07053	36.7
95.04974	19.4
95.08615	33.5
97.02891	3.7
97.06526	5.3
97.10178	4.6
99.08141	1.7
105.07039	24.4
106.23992	1.4
107.04964	5.7
107.08605	18.2
109.06509	3.3
109.10146	13.0
111.04494	1.5
111.08060	7.7
115.05431	1.9
117.07043	3.7
119.08588	21.3
121.06496	1.8
121.10158	15.0
123.08055	2.3
123.11693	6.4
125.09648	3.3
129.07018	7.8
131.08574	14.5
133.06526	2.4
133.10132	10.0
135.11719	7.6
137.09616	2.1
142.07799	1.9
143.08504	1.3
145.10152	7.7
147.08018	2.8
147.11713	17.3
149.09637	6.0
149.13268	3.4
151.11191	2.5
157.10129	13.4
159.11684	3.1
161.13263	2.8
163.11168	1.8
163.14822	1.7
165.12762	2.9
173.13269	2.8
175.11223	10.8
177.12923	2.0
193.12257	34.1
211.13300	46.0
220.59404	1.8
227.12813	2.0
243.21156	2.3
245.05170	1.4
261.22162	9.1
267.15930	23.5
285.16971	43.1
286.17419	2.3
301.25070	1.8
317.24747	1.8
335.25815	62.3
336.26181	1.7
435.32428	1.9
451.01874	1.4
453.33603	2.7
471.35056	1.7
527.37317	15.3
545.38422	100.0
546.38629	6.2
724.12854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88625	1.9
53.03948	5.6
55.01897	2.2
55.05518	23.9
57.03445	20.1
57.07071	2.6
61.02917	6.9
63.61555	1.7
65.03939	3.8
67.05509	88.7
67.68675	1.7
69.03432	5.5
69.07071	28.3
69.48447	4.5
69.48862	8.1
71.04992	7.0
73.02911	2.2
75.62424	1.8
77.03918	2.3
79.05497	60.1
81.03422	8.1
81.07059	90.6
83.04548	1.6
83.04992	10.9
83.08625	11.0
85.02927	8.6
85.06543	4.7
87.04454	2.0
88.03635	1.5
91.03966	2.4
91.05486	55.1
93.07047	65.6
95.04971	21.9
95.08611	70.3
97.02905	5.4
97.06537	10.3
97.10176	4.7
99.04456	3.0
99.08118	2.7
104.21446	1.7
105.04487	2.3
105.07036	37.5
107.04944	5.7
107.08600	34.7
109.06525	9.0
109.10155	23.4
111.04477	2.4
111.08077	4.9
113.06002	2.7
115.05453	2.7
117.07014	12.4
119.08588	25.2
121.06533	4.1
121.10148	24.4
123.08113	4.1
123.11706	9.4
126.92753	1.7
127.03968	2.3
129.06995	10.2
131.08569	18.0
132.84628	1.9
133.10133	21.2
135.08066	5.4
135.11694	30.1
137.09610	3.3
137.13234	2.0
141.23280	1.8
142.07761	2.3
145.10133	18.5
147.08073	2.4
147.11690	19.0
149.09641	3.6
149.13284	6.8
151.11195	3.9
157.10143	7.5
159.11726	5.3
161.13252	3.8
163.11183	16.4
163.14865	3.0
165.12785	5.6
169.20338	1.8
173.13242	5.1
175.11174	8.7
175.14851	2.8
181.12303	3.2
183.11685	2.0
187.14906	2.1
193.12215	10.3
211.13312	5.0
227.12785	22.7
227.16451	2.6
243.15901	1.7
243.21027	3.6
259.20502	2.1
261.22192	15.4
267.15939	10.5
283.15421	27.6
285.16968	83.7
286.17477	2.1
303.23380	2.1
317.24829	2.5
335.25812	100.0
336.26212	2.8
337.27350	30.7
453.33554	3.6
471.34589	2.7
503.37311	6.0
527.37103	6.0
545.38373	76.9
546.39178	2.8
563.39337	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
55.01867	4.6
55.05272	1.8
55.05515	24.7
57.03443	18.3
57.07079	2.3
59.04979	1.8
59.05260	1.3
61.02919	4.7
65.03934	4.8
67.05510	66.4
68.13021	1.1
68.19381	1.0
68.43360	1.0
69.03415	4.5
69.07069	18.0
71.04995	5.7
71.51628	1.9
73.02905	1.4
79.05499	53.1
81.03425	48.1
81.07060	71.5
83.04996	11.8
83.08624	22.1
85.02922	20.5
85.06554	2.9
86.09737	1.3
91.03934	3.0
91.05487	41.2
91.15536	1.2
93.07050	49.3
94.07355	1.8
95.04974	24.0
95.08610	44.1
97.02884	5.8
97.06541	6.8
97.10159	4.6
103.05463	1.2
105.04493	2.2
105.07041	31.9
107.04945	6.2
107.08604	25.4
109.06535	5.3
109.10167	18.8
111.04451	2.6
111.08093	6.7
113.06004	2.7
115.05480	2.4
117.07014	6.5
119.08593	25.1
121.06512	1.9
121.10151	23.0
123.08042	2.3
123.11694	5.4
125.09604	2.0
129.07031	7.6
131.08586	16.5
133.06522	1.9
133.10143	16.9
135.08025	1.6
135.11694	10.5
137.09628	1.6
141.07043	1.5
142.07722	3.1
143.08542	2.2
145.10123	7.2
147.08064	2.5
147.11691	17.6
149.09589	4.8
149.13268	6.8
155.08594	1.8
157.10155	9.4
159.11717	5.4
161.13261	4.6
163.14902	1.6
165.12758	4.8
173.13223	4.0
175.11191	11.4
177.16347	1.3
184.07321	2.0
193.10489	1.3
193.12256	35.9
211.13298	46.9
227.12758	1.8
243.21083	4.2
255.14516	1.4
259.20502	2.0
261.22165	11.2
267.15973	12.6
269.17535	2.0
285.16989	56.5
317.24908	2.6
335.25830	93.2
336.26114	2.3
398.52682	1.2
402.12668	1.5
417.31555	1.4
435.32443	2.5
436.28421	1.3
453.33640	2.2
527.37469	12.2
545.38409	100.0
546.38940	2.8
639.56970	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.5828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
54.38705	0.5
55.05515	6.3
55.93896	0.7
56.05035	3.7
57.07076	4.1
58.06617	1.1
60.04524	1.8
60.52647	0.7
65.03930	0.8
67.04247	0.7
67.05180	1.1
67.05508	13.4
68.05025	1.2
68.89382	0.6
69.03427	1.6
69.07071	7.1
70.06594	1.7
71.08616	2.7
71.43096	1.2
77.47751	0.6
79.05496	10.3
80.05035	3.3
81.03383	0.6
81.05796	1.1
81.06663	1.0
81.07069	10.9
82.06593	5.9
83.08620	4.0
85.02895	2.2
85.10178	0.6
91.05480	8.6
93.07042	11.3
94.06572	18.6
95.04966	1.1
95.07352	8.0
95.07909	1.0
95.08026	0.9
95.08615	10.5
96.08125	6.2
97.10176	2.8
105.07027	6.0
107.08599	5.1
108.08114	3.8
109.10155	4.0
111.11758	0.7
119.08576	6.3
121.10158	5.7
122.09695	3.2
123.11686	1.5
124.99936	1.0
133.09306	0.6
133.10185	4.4
135.10519	1.1
135.11691	4.2
137.13252	1.2
141.33553	0.9
147.11696	1.5
149.13246	1.7
161.13268	0.7
163.14806	1.2
181.18201	0.7
184.07367	2.6
233.22792	3.1
234.22244	0.9
245.22717	4.1
248.23705	1.0
250.25363	7.6
262.25314	100.0
263.25696	1.9
280.26349	7.1
300.29013	4.3
352.65259	0.7
532.50818	4.4
544.50958	26.5
545.50946	2.0
546.52734	3.8
562.52063	13.0
563.52216	1.3
724.57001	2.8
762.84772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52364	1.5
69.03420	1.5
70.19398	3.1
70.19752	3.0
81.54801	1.5
93.39868	1.5
98.21470	1.8
98.97604	2.3
101.00887	7.2
112.89616	4.0
113.00891	1.6
116.21053	1.2
119.01931	6.7
127.02463	2.1
131.01915	4.3
136.98529	2.4
143.01888	16.7
145.03490	5.5
155.01897	11.7
157.03523	3.6
161.02943	11.9
167.01921	11.9
169.03444	2.3
173.02972	16.2
179.01918	4.1
185.02966	27.3
197.02966	9.8
203.03934	6.8
214.60210	1.4
215.04099	5.2
227.04021	6.0
239.01735	4.1
243.01941	1.5
245.05103	100.0
246.05350	2.7
252.95149	5.0
257.02661	3.3
257.05136	6.0
263.06061	10.0
275.06122	7.9
293.07248	2.1
305.07193	11.3
330.33823	1.6
335.08264	4.8
365.09326	32.4
383.10443	2.0
400.80563	1.9
401.02277	3.1
401.07040	30.9
417.04544	1.6
425.11438	29.0
437.11533	1.6
455.12234	5.0
485.13620	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	743.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.0
55.01862	0.4
55.05504	1.8
55.29169	0.4
57.03429	1.4
61.02932	5.0
65.03963	0.4
67.05506	5.3
69.03426	2.5
69.07071	1.3
71.04989	0.6
73.02925	4.2
77.57838	0.4
79.05494	5.1
81.03416	1.9
81.07068	5.2
83.04991	0.7
83.08635	0.5
85.02908	4.1
91.03967	2.5
91.05478	3.6
93.07056	5.0
95.05000	0.4
95.08614	3.4
97.02893	3.8
99.04475	0.6
100.20751	0.3
101.02386	1.5
105.07040	2.1
107.08615	1.7
109.02900	0.8
109.10173	1.1
117.07024	0.5
119.08605	1.6
121.10172	1.6
123.08117	0.5
123.11713	0.4
127.03937	1.2
127.09060	0.4
129.06996	0.5
131.08578	0.4
133.10141	1.2
135.11751	0.8
145.10062	0.8
147.11748	1.1
159.11664	0.5
161.13277	0.8
167.75937	0.5
171.11765	0.7
185.04259	0.5
243.08514	2.0
247.13200	1.2
276.97729	0.4
335.25754	0.7
359.15720	0.4
379.38971	0.4
465.21100	5.5
495.85117	0.4
519.29303	8.4
520.30402	0.6
529.29187	0.5
546.47461	0.4
659.28320	0.5
743.43451	100.0
744.43829	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	744.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01873	0.7
55.05505	0.6
57.07076	0.8
57.12873	0.4
59.57233	0.4
60.76008	0.3
65.03947	0.5
66.04695	0.4
67.05507	3.4
68.88568	0.4
69.03426	2.8
69.07072	2.9
69.42706	2.9
70.06597	1.1
71.05009	0.5
73.02898	0.4
77.03934	0.5
79.05505	7.8
81.03421	3.9
81.07062	70.5
83.40479	0.4
84.04540	0.4
84.08121	0.4
85.02930	3.1
86.09682	0.5
87.00813	0.4
91.05499	1.4
91.69575	0.4
93.07040	1.2
95.04970	1.0
95.08615	9.7
97.02900	2.1
99.04446	0.9
103.05474	35.3
105.07029	0.7
107.04963	1.7
107.08591	0.6
109.02882	5.0
109.10163	0.9
111.04449	0.8
111.27370	0.4
119.04980	0.4
125.05968	0.4
127.03926	5.6
129.01941	0.5
129.10213	0.4
131.04935	100.0
132.05305	1.0
137.05997	3.0
137.13263	11.7
141.01820	1.0
145.04947	1.3
145.06421	0.3
147.04480	0.8
151.03914	1.0
153.05499	0.5
161.05946	0.7
163.07555	47.7
164.07962	0.9
167.07042	0.9
175.07602	0.7
176.60355	0.4
177.05475	0.7
177.06898	0.5
181.04971	0.6
187.07501	0.5
189.09000	0.7
191.07072	1.1
193.08540	0.4
200.06433	0.4
231.04973	0.9
250.06316	0.4
293.79230	0.4
310.07706	0.5
323.09268	0.4
339.07144	0.5
357.07928	0.9
375.09393	0.5
513.37793	0.5
530.60022	0.6
641.04596	0.5
744.25970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01875	1.4
55.05270	1.5
55.05514	15.8
57.03236	0.8
57.03447	10.1
57.07071	2.2
59.04993	1.1
61.02926	3.2
65.03952	3.8
66.75391	0.8
67.05508	71.9
69.03423	1.6
69.07072	18.3
69.40155	7.9
71.04997	7.2
73.02930	1.1
79.05494	37.0
81.03403	2.2
81.07059	100.0
82.07413	1.1
83.04987	3.9
83.08626	10.9
85.02915	2.2
85.06548	8.6
85.11450	0.9
86.09673	0.9
91.04915	0.9
91.05486	27.2
93.07049	49.7
94.07341	1.2
95.04972	3.4
95.08610	33.3
97.02904	1.4
97.06541	7.9
97.10166	2.8
98.20628	0.9
99.08089	1.8
105.04530	1.3
105.07033	12.3
107.04955	2.1
107.08598	24.8
109.06532	3.9
109.10162	12.6
111.08057	3.9
113.09689	0.9
117.07023	9.6
119.08598	8.3
121.10144	17.4
123.11718	10.6
129.06999	2.0
131.08578	12.7
133.10141	16.3
135.08073	1.7
135.11705	12.3
145.10112	4.5
147.11708	4.3
149.13260	14.9
151.11171	5.9
157.10089	2.1
159.11696	12.7
161.13293	4.1
163.14844	1.3
169.12341	1.6
173.13248	2.9
177.12729	6.7
184.07375	3.5
187.13327	8.0
187.14822	1.9
195.13829	6.3
213.14865	3.7
241.14384	1.7
243.15945	25.5
243.21169	2.6
259.20871	0.9
261.22174	7.5
269.17520	20.3
287.18549	37.5
287.23740	2.0
288.18951	1.5
289.03644	1.0
317.24872	1.9
335.25809	42.8
336.26190	2.1
337.27087	1.3
338.99884	0.9
361.27472	1.9
489.35834	1.0
503.37335	90.4
504.37573	4.0
521.38104	1.4
529.38800	8.2
547.39954	29.9
548.40424	2.4
566.52332	1.0
591.00262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01860	1.4
55.05510	15.4
57.03440	13.1
57.07056	3.1
59.04972	1.4
61.02917	3.8
65.03918	2.4
65.53522	1.0
66.96184	1.1
67.05506	75.1
67.49220	1.1
69.03429	2.5
69.07069	16.1
71.01268	1.7
71.01626	1.7
71.05004	6.5
71.08639	1.6
73.02872	1.2
79.05494	40.8
81.03389	1.6
81.07059	100.0
83.04974	3.5
83.08617	10.6
85.02894	3.4
85.06545	8.8
91.03954	1.4
91.05478	25.2
93.07046	50.8
95.04963	5.1
95.08609	40.4
97.02875	2.7
97.06515	7.8
97.10165	3.3
99.08071	1.7
105.07027	13.7
107.04900	1.7
107.08598	27.6
109.06488	1.7
109.10158	13.1
111.08054	4.9
117.07011	8.0
119.08554	8.7
121.10153	19.9
123.11705	11.4
128.17061	1.2
131.08551	12.8
133.10132	17.3
135.11720	14.6
145.10120	3.9
147.11662	3.8
149.13261	18.6
151.11133	5.3
159.11684	14.0
161.13203	4.1
163.14796	1.8
169.12219	1.6
173.04420	1.5
173.13275	2.5
175.14845	1.9
177.12787	6.2
184.07289	2.6
187.13293	4.7
195.13788	7.3
213.14859	2.7
233.92949	1.2
243.15932	25.8
243.21153	3.4
261.22171	8.8
269.17490	35.7
277.21829	1.2
287.18539	25.2
300.36606	1.2
312.60565	1.1
317.24643	2.1
335.25812	59.7
336.26407	1.4
347.26151	1.1
361.27338	1.7
410.22308	1.3
431.22968	1.4
433.05338	1.2
503.37344	91.1
504.37387	4.4
529.38922	12.0
547.39966	41.9
548.40021	2.8
669.63635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
54.54637	0.7
55.01867	1.4
55.05278	1.0
55.05517	13.4
57.03442	6.5
57.07078	1.2
59.04994	1.8
61.02906	2.4
61.49061	0.7
65.03934	2.6
67.05510	93.5
67.37160	0.7
68.05836	1.1
69.03426	2.2
69.07076	14.1
69.81960	0.7
71.05000	17.8
73.02894	1.0
75.80741	0.7
79.05499	37.2
81.03413	2.2
81.07061	42.7
82.07396	0.7
83.04974	3.5
83.08628	8.2
85.02900	3.3
85.06538	3.0
91.05486	25.5
93.07050	41.4
95.04960	3.3
95.08614	32.1
97.02895	2.3
97.06555	4.4
97.10184	1.6
99.08086	1.9
101.47222	0.8
105.04512	1.3
105.07034	12.3
107.08605	20.1
109.06506	1.8
109.10165	61.8
111.08068	3.0
113.09586	0.8
117.07027	6.1
119.08591	16.2
121.10159	16.4
123.08038	1.1
123.11727	2.3
125.09637	1.4
129.06981	1.3
131.08583	6.3
133.10135	7.1
135.08064	1.2
135.11703	17.0
137.09604	8.4
145.10152	6.0
147.11697	4.1
149.13258	3.6
155.10655	3.5
157.10165	1.1
159.11702	3.7
161.13281	2.2
163.11171	3.1
163.14798	0.9
169.12244	1.8
171.69847	0.8
173.11748	5.8
173.13205	1.8
175.14786	1.4
181.12209	1.9
187.13269	1.1
187.14844	1.7
211.13339	0.8
213.14861	0.8
229.14433	2.0
243.16002	2.1
253.30716	0.8
255.15927	5.1
261.22064	3.2
262.22174	0.8
269.17456	1.0
285.16986	1.9
287.18539	18.7
317.24591	1.1
335.25809	31.0
336.26157	2.3
337.26993	1.6
397.31256	1.1
399.20206	1.0
405.31921	0.9
423.32809	0.9
471.34604	2.9
489.35800	100.0
490.36124	5.5
503.37207	5.1
515.37292	10.6
547.40002	76.1
548.39886	3.4
659.41449	1.5
745.40704	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	745.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01857	5.0
55.63035	1.5
63.05190	1.5
67.07257	1.6
69.03433	10.7
70.60545	5.1
71.04989	2.1
73.02895	1.5
79.05498	2.0
81.03421	32.4
81.27436	1.6
83.01318	2.5
85.02897	17.2
91.05484	49.3
95.01325	1.9
95.04964	1.8
97.02896	13.0
99.04456	9.1
101.78727	1.7
103.05461	3.0
105.03362	2.0
105.07025	4.4
107.04957	72.9
109.02137	2.4
109.02882	44.7
111.04456	2.2
115.03909	1.8
115.05435	9.2
117.07021	18.4
119.04933	6.9
121.02858	5.2
121.06488	4.1
125.02306	2.0
127.03922	100.0
129.07013	2.5
131.04918	9.9
131.08597	2.2
133.06477	7.0
137.06003	2.1
141.06934	3.8
143.04895	2.3
144.05676	2.3
145.05003	4.5
145.06468	27.7
147.04395	5.0
147.08029	4.4
149.05980	6.5
151.03918	5.0
153.06924	1.9
157.06468	3.2
159.08005	5.1
161.04636	3.2
161.05980	49.5
167.08636	2.5
169.04958	23.2
169.06490	6.5
171.04408	6.8
171.08009	2.5
173.05992	16.5
178.07751	3.5
179.07016	6.8
179.08562	6.9
185.05994	5.7
187.05978	5.2
187.07561	7.5
191.07039	6.2
193.10168	2.2
195.08025	5.5
197.05984	7.7
197.09621	21.0
203.07024	3.5
207.07979	2.7
211.07605	2.7
213.05548	1.8
214.68234	1.6
215.07024	20.7
221.09654	5.2
223.07564	2.5
225.09093	2.3
227.06958	2.5
229.07051	4.6
233.08025	6.4
239.06998	2.0
239.10707	1.9
245.09801	2.2
249.09084	3.9
251.09154	2.8
257.07816	2.5
267.10147	5.9
269.07748	2.2
275.09073	1.7
277.08698	3.8
281.08194	2.2
285.11075	2.7
289.09286	2.1
295.09659	2.5
299.08627	1.7
305.07980	1.9
323.09085	2.1
331.13156	2.5
333.11252	4.2
339.35425	1.6
341.10074	4.0
349.14539	2.0
359.11148	5.3
375.12100	4.7
377.12219	3.2
381.88748	1.6
393.12622	2.2
411.14075	4.3
419.13269	2.9
519.16663	2.3
547.17096	1.9
565.16913	2.4
579.19189	2.3
583.17358	1.7
607.18506	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	745.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01862	0.3
65.03937	1.0
66.04710	0.2
67.05501	0.3
69.03408	0.5
70.06594	0.7
70.90242	0.4
70.90580	0.2
72.08136	0.2
78.04707	0.3
79.05502	0.8
81.03406	0.4
81.07057	0.5
82.04215	0.2
83.04986	0.2
85.02917	0.7
86.09708	0.5
87.15713	0.2
91.05480	1.1
93.03422	0.5
94.04188	2.8
95.04952	0.4
97.02924	0.5
103.05456	0.6
105.07042	0.3
107.04959	0.8
108.02090	0.2
109.06525	0.2
110.03689	0.5
115.05478	1.8
117.07030	1.5
119.04945	0.4
122.03657	6.2
123.04399	0.6
124.05271	0.3
125.06000	0.4
127.03961	0.3
131.04932	0.6
137.05983	100.0
138.03148	0.3
138.06345	1.4
142.02583	0.3
143.04936	4.6
145.05482	0.3
145.06494	1.8
147.04433	0.6
147.08096	0.3
150.16272	0.2
151.03917	4.3
151.04980	0.2
153.05544	0.3
153.12856	0.2
155.06033	0.9
161.06035	0.7
164.04428	0.2
167.07040	10.9
171.04434	0.3
171.06609	0.4
173.05989	3.3
175.07549	1.5
177.05534	0.3
179.07053	0.3
181.04964	12.1
203.07065	1.4
205.08585	2.2
221.08128	0.6
233.08176	0.6
235.09676	1.5
327.12207	0.5
355.11923	1.1
357.08914	0.4
357.13358	8.9
358.13742	0.3
387.14401	58.5
388.14786	2.5
520.94940	0.2
745.26636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
53.87463	0.2
55.01864	0.3
55.15622	0.2
65.03930	1.0
66.04736	0.4
67.05508	0.5
69.03447	0.4
70.06584	0.7
70.48912	0.4
70.49251	0.3
72.08141	0.2
78.04710	0.2
78.99709	0.2
79.05494	0.8
81.03411	0.2
81.07056	0.3
82.04194	0.2
85.02911	0.8
86.09708	0.4
91.05485	1.0
94.04189	2.7
95.04964	0.3
97.02882	0.3
103.05450	0.5
105.04557	0.2
105.07030	0.4
106.04160	0.2
107.04942	0.8
109.02905	0.4
110.03664	0.5
115.05462	1.8
117.07022	1.5
119.04933	0.5
122.03658	6.7
123.04476	0.4
129.10236	0.3
131.04910	0.9
133.06493	0.2
137.05983	100.0
138.03044	0.2
138.06334	1.1
142.02567	0.5
143.04941	4.2
145.06482	1.7
147.04408	0.4
147.08017	0.5
151.03912	4.6
151.05038	0.4
153.05403	0.4
155.06056	0.6
161.05991	0.6
167.07051	11.0
171.06528	0.4
173.05989	2.8
175.07545	1.0
179.07071	0.3
181.04958	12.8
189.05505	0.3
190.06151	0.2
202.31013	0.2
203.07071	1.2
205.08609	2.3
221.08080	0.4
233.08113	0.7
235.07658	0.3
235.09634	1.7
327.12283	0.6
353.53467	0.3
353.78342	0.2
355.11725	1.0
357.13345	7.5
387.14398	56.6
388.14752	2.0
583.22815	0.3
641.36102	0.3
745.26709	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05519	2.2
57.03452	2.5
57.07092	0.7
59.05005	0.4
61.02931	5.4
65.03926	0.6
67.05511	8.7
68.05813	0.4
69.03442	2.9
69.07072	2.3
69.47521	0.9
69.47931	2.4
71.01360	0.4
71.05006	1.0
73.02924	4.2
75.04509	0.4
77.26540	0.5
79.05502	5.1
81.03420	1.9
81.07064	7.4
82.07398	1.0
83.04978	0.9
83.08623	1.3
85.02909	4.7
89.06056	0.5
91.03959	2.7
91.05491	3.9
93.07046	6.1
93.71079	0.4
95.05007	0.6
95.08604	5.0
97.02897	4.3
97.06561	0.4
98.21568	0.8
99.04477	0.8
101.02405	1.8
105.04566	0.4
105.07053	2.4
106.07387	0.4
107.08606	4.0
109.10147	2.1
117.07055	0.9
119.08607	1.0
121.06503	0.5
121.10180	2.8
123.11710	0.7
127.03936	0.7
131.08536	1.1
133.08546	0.4
133.10129	1.3
135.11685	2.9
135.67455	0.4
141.88161	0.4
145.10164	1.7
145.89920	0.4
147.11769	0.9
149.13258	1.0
159.11722	0.5
159.90462	0.4
161.13263	0.5
163.11186	2.4
169.24551	0.4
184.07442	0.5
227.12846	1.1
243.08449	2.8
243.15984	0.9
244.16278	0.5
249.11002	12.1
269.17520	1.0
270.18030	0.6
287.18594	1.3
288.18985	1.2
305.13766	0.8
335.25897	1.9
336.26273	1.1
376.22046	0.5
450.74313	0.4
467.18948	5.4
471.63333	0.4
503.36768	0.7
504.37860	2.9
519.29309	8.1
520.45947	0.5
548.40161	1.3
745.41357	100.0
746.41705	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	745.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.9
60.09585	0.8
60.39265	0.7
61.02916	3.2
67.05502	5.2
69.03442	1.5
69.07079	2.1
70.75412	1.8
70.75741	1.2
73.02917	2.8
79.05496	4.2
81.03413	1.4
81.07054	6.9
85.02915	3.8
91.03983	1.7
91.05486	3.8
93.07018	4.8
95.01285	0.9
95.04929	1.0
95.08612	3.7
97.02903	3.1
97.06535	1.1
101.02391	1.6
102.38828	0.9
105.07041	3.3
107.08608	2.9
107.11319	0.9
117.07026	1.9
119.08572	1.1
121.10137	2.3
131.08595	2.1
133.10161	2.0
135.11681	1.0
145.06546	1.3
145.10132	1.9
149.13330	2.0
159.11696	1.8
210.04849	1.0
235.12936	1.0
243.08565	2.2
254.27795	0.9
275.62305	0.8
315.19461	2.2
371.22031	1.6
374.21588	1.0
453.20947	10.3
533.27344	4.8
584.52203	1.0
745.41364	100.0
746.41791	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	746.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01869	0.8
65.03931	0.5
66.04733	0.6
69.03434	2.3
70.06595	0.6
71.50819	0.7
79.05499	1.7
81.03426	3.2
81.07050	0.9
84.08155	0.5
85.02910	3.5
87.00836	1.0
91.05502	1.9
94.04195	3.9
95.05008	0.7
97.02918	2.0
98.20953	0.4
103.05476	2.2
105.01878	0.5
105.03387	0.5
105.07041	6.2
107.04958	1.8
109.02896	2.3
109.06525	1.8
115.05450	2.1
117.07027	0.6
119.04896	0.5
122.03666	8.9
125.06036	1.0
127.03928	4.1
128.06232	1.5
129.06961	0.7
131.04933	2.7
133.06511	5.1
137.05986	100.0
138.06329	1.4
141.06952	0.4
143.04939	0.6
143.06030	0.7
144.31096	0.4
145.04961	0.6
146.03654	2.8
147.04427	1.3
149.06023	1.2
151.03966	0.4
151.07516	0.8
153.05482	4.9
159.02916	0.8
159.08047	0.5
161.05992	37.8
162.06453	0.6
163.07541	5.1
167.04942	1.1
167.07088	2.0
168.05716	0.6
171.08052	1.3
175.07603	2.0
177.05492	1.1
179.07002	1.6
181.72105	0.4
183.04326	0.4
184.05229	2.7
185.05991	0.8
187.07558	2.3
189.06975	0.5
191.08589	1.3
192.09418	0.6
199.07556	14.5
202.07803	4.9
203.06729	0.8
203.08572	12.0
204.09360	0.9
205.06589	1.0
205.10144	0.5
211.07535	0.4
213.06969	0.5
215.06862	0.5
215.08690	0.7
218.07233	0.6
219.08130	3.4
220.08821	4.0
221.06070	0.5
221.09692	0.6
222.06570	0.6
223.07552	0.4
230.07286	1.3
231.08066	20.8
232.08823	5.0
233.06108	0.6
233.09544	0.6
234.06778	0.5
235.07484	1.1
235.11208	1.0
237.09058	1.4
243.08127	0.7
245.09668	0.9
247.07539	2.8
248.08339	11.4
249.09074	1.7
258.06647	2.1
259.07574	17.7
260.08328	14.5
261.09015	1.8
262.09961	1.2
263.06711	0.5
263.07529	0.5
263.10693	9.5
264.11099	0.6
265.08640	1.6
271.07495	0.6
273.08981	1.0
274.09964	0.5
275.07059	1.6
275.10535	0.7
276.07825	8.8
277.08582	3.5
279.10150	1.1
280.10760	0.6
289.08588	1.3
290.09250	0.7
291.10168	63.0
292.10800	3.9
293.08069	3.0
293.11273	0.8
295.09665	1.1
295.13028	0.6
297.11380	0.8
303.10117	1.3
305.11694	0.7
307.09671	1.1
308.10446	3.5
309.11136	2.1
311.22040	0.5
320.10281	0.7
321.11224	2.7
322.11917	1.8
323.12793	66.9
324.13074	1.9
325.14575	0.7
333.11353	2.5
335.12897	3.7
337.14352	1.3
341.13959	0.9
345.11136	0.6
347.12833	1.6
353.13672	1.2
365.13867	5.2
377.13803	2.2
385.14371	0.5
389.13919	1.0
395.14719	0.8
399.12384	0.5
403.14905	0.8
413.13678	1.3
417.12955	0.5
427.24945	0.4
431.14896	1.5
449.15860	1.3
467.16888	0.8
535.15985	2.1
553.16956	2.0
571.18085	5.0
584.22876	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.05515	11.0
57.07067	2.8
65.03946	3.1
67.05508	53.9
69.07073	14.0
71.04985	2.1
71.12819	3.5
79.05497	25.3
81.03403	1.3
81.07060	58.7
83.08633	12.3
85.06517	3.1
86.09733	1.2
89.06020	3.7
91.05489	35.3
93.07045	27.5
95.04967	1.7
95.08611	56.8
96.08910	1.3
97.06528	4.6
97.10147	5.9
99.08086	1.7
105.07036	12.9
107.04932	1.2
107.08586	20.2
109.06501	1.2
109.10157	26.5
111.08083	4.9
111.11744	1.5
117.07008	4.3
119.04951	27.6
119.08602	10.5
121.10148	22.7
123.08046	1.6
123.11715	11.0
125.09584	1.4
131.08578	13.0
131.65152	1.3
133.10132	13.2
135.07974	1.9
135.11691	14.4
137.09612	3.6
137.13249	3.9
145.10123	8.6
147.04417	100.0
147.11658	6.8
149.09604	2.3
149.13243	5.5
151.11150	4.5
159.11685	5.7
161.13245	3.9
163.11166	1.7
163.14865	2.1
165.05510	1.9
169.12247	1.5
171.11678	1.8
173.13194	2.5
175.14806	1.5
181.12253	2.0
183.11893	1.3
187.14841	2.6
195.13741	1.4
215.17993	10.1
219.35303	1.6
227.40881	1.5
231.17424	2.0
233.18950	9.1
243.21222	3.0
251.20078	11.9
259.20694	1.7
261.22192	7.4
269.21042	1.5
277.21759	2.8
279.23206	22.1
297.24350	8.9
373.30939	1.8
475.39258	1.6
483.41888	1.5
493.40063	5.3
511.41553	17.3
529.35193	1.3
529.42480	30.5
547.43628	6.9
691.07043	1.5
711.47992	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75769	0.5
53.03939	1.0
54.98271	0.4
55.89015	0.4
60.21898	0.4
67.65500	0.4
69.03424	0.8
71.50889	0.7
76.61125	0.5
79.05484	0.5
81.03419	5.5
81.07072	0.7
85.02901	1.5
87.04472	0.5
91.05479	1.6
95.04965	0.5
97.02897	1.4
99.04459	3.2
103.03944	0.8
107.04964	13.0
108.05254	0.5
109.02881	8.3
115.05459	0.5
125.02120	3.8
127.03001	0.9
127.03925	14.9
128.04320	0.5
133.06552	0.7
140.62737	0.5
145.04974	1.7
145.06558	0.5
155.86945	0.4
157.06262	0.7
161.06021	1.7
169.04935	1.3
171.04263	0.5
187.06036	1.2
201.05331	1.1
229.07077	0.7
247.03677	0.4
247.05780	23.5
251.05312	3.6
269.06335	6.6
311.07379	10.7
329.08438	23.9
353.10025	1.8
423.07690	0.5
439.89935	0.5
517.13281	1.0
535.14240	100.0
536.14148	3.4
552.31299	0.5
603.13190	0.6
641.18372	25.3
642.18756	1.2
747.09973	0.9
747.22589	11.4
748.22302	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	0.6
55.05508	5.9
56.05030	2.1
60.04517	1.2
62.21236	0.3
67.04238	0.4
68.05025	0.8
69.03428	3.3
69.71892	0.6
69.72301	1.5
70.06618	0.7
71.04993	0.7
72.08157	23.1
80.05002	1.5
81.03423	2.5
82.06583	31.2
83.06107	1.5
84.04510	11.0
84.05027	0.6
84.08142	5.0
94.32475	0.4
96.04497	15.4
97.02886	2.8
98.06064	8.1
98.09695	0.7
99.04456	0.9
100.07639	1.8
101.02394	0.4
102.05531	1.0
108.04467	0.8
109.02876	3.9
110.06017	2.0
114.05541	1.0
116.06297	0.3
124.03927	0.3
126.05522	15.2
126.09279	0.4
127.03919	1.8
127.05929	0.4
128.07086	93.1
129.06598	2.4
129.07434	0.9
130.05003	2.7
132.16563	0.3
138.05508	100.0
139.05830	0.8
140.07008	0.4
144.06561	17.9
144.10204	29.0
145.09724	3.0
147.07669	0.5
153.10233	1.4
155.08180	0.8
156.06595	0.5
160.62270	0.3
165.10265	0.8
167.11787	0.9
168.06567	16.5
172.09692	0.8
173.09229	51.4
174.09595	0.8
181.09779	0.8
185.09225	0.4
186.07628	10.3
191.10306	2.4
193.09715	3.1
199.10783	14.2
211.10869	1.3
221.09189	0.5
226.11966	0.7
227.10329	2.3
238.11925	0.9
239.10260	9.3
244.12946	5.0
257.11349	2.6
262.13995	44.8
263.14261	1.0
284.12509	3.1
285.10965	0.5
302.13477	39.4
303.14108	0.7
328.14960	2.3
329.17084	22.0
357.16589	15.8
373.17050	2.5
391.18246	46.7
392.18558	0.9
404.76422	0.4
455.21387	0.9
473.22540	2.9
479.04788	0.5
544.25854	1.2
562.27216	12.2
563.27234	0.6
612.37518	0.4
658.29523	0.8
729.32599	0.5
747.34119	9.8
748.34479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05515	6.5
56.05020	1.4
60.04524	1.7
66.62218	0.7
66.97892	0.7
69.03427	3.6
70.94635	1.1
70.94968	1.1
72.08157	20.6
76.22285	0.7
80.04987	0.8
81.03398	1.9
82.06581	30.4
82.13712	0.7
83.06066	1.2
84.04507	10.6
84.08138	5.5
96.03909	1.0
96.04498	14.6
97.02893	3.6
98.06059	6.7
98.67310	0.8
100.07611	1.3
102.05556	2.0
108.04466	1.1
109.02875	3.8
110.06051	1.2
113.01437	0.8
126.05518	18.4
127.03851	1.2
128.07082	100.0
129.06610	2.0
130.05019	2.5
138.05508	98.4
139.05830	1.3
140.07149	0.8
144.06560	17.2
144.10197	29.4
145.09726	2.4
153.10191	1.4
155.08195	0.9
168.06566	20.2
172.09544	0.8
173.09227	52.9
181.98308	1.0
186.07613	12.3
191.10287	2.5
193.09705	2.8
199.10779	18.1
203.83173	0.8
211.10785	2.3
227.10349	2.3
238.12019	1.2
239.10260	8.8
244.12955	4.9
257.11328	3.0
262.13992	49.6
263.14087	1.0
263.41992	0.9
284.12363	4.8
302.13470	40.2
324.41946	0.8
328.15094	2.6
329.17093	23.6
357.16562	14.5
373.17090	2.7
381.80313	0.7
391.18237	49.1
392.18439	1.8
392.44128	0.8
473.22372	2.7
562.27197	15.2
601.18329	0.9
687.60925	0.9
747.34192	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	747.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01764	1.0
60.57685	0.9
63.51581	1.0
63.73800	1.0
67.05509	1.9
70.76252	2.7
75.03848	0.8
79.00580	0.9
79.05517	1.2
81.07069	2.3
89.06017	1.5
91.05507	1.8
93.07062	1.6
95.08655	1.5
128.49828	1.1
151.01860	1.0
221.18690	1.1
234.43365	0.8
236.32288	1.0
345.78375	1.0
543.25360	1.0
747.40833	100.0
748.41107	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	747.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01883	0.7
55.05508	1.2
55.80972	0.6
57.03437	1.0
61.02929	3.5
67.05505	5.3
69.03429	2.3
69.07073	1.8
71.01360	0.8
71.05014	0.9
71.51510	0.6
73.02932	3.1
79.05495	3.9
81.03406	1.5
81.07051	4.7
83.08618	1.4
85.02906	3.5
91.03960	2.4
91.05505	1.8
93.07050	5.7
95.08588	3.0
97.02380	0.6
97.02885	3.3
97.06506	1.0
99.04469	0.7
101.02388	2.3
105.07040	3.1
107.08607	3.0
109.02882	1.0
114.60732	0.7
117.07021	1.3
119.08601	2.0
121.10168	2.2
127.03921	1.1
131.08595	0.6
133.10150	1.5
135.11749	1.0
147.11723	1.3
149.13255	1.7
157.10216	0.6
159.11742	1.0
175.98198	0.6
185.04317	0.9
196.80289	0.7
223.15520	0.6
235.13095	0.8
243.08539	2.4
249.20178	0.6
301.09021	1.2
408.06519	0.6
453.20923	10.0
465.21317	0.7
525.22845	1.4
535.28778	5.2
564.56256	0.7
651.69678	0.7
747.42902	100.0
748.43109	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.3
57.03436	1.8
57.07081	0.8
61.02936	5.9
67.05508	5.9
69.03427	3.1
69.07051	1.4
69.16595	1.4
69.16999	4.9
71.01344	1.0
71.04993	0.6
73.02928	4.7
79.05482	3.6
81.03418	2.1
81.07059	6.1
83.08643	0.7
85.02907	6.0
87.30526	0.6
89.06031	0.9
91.03975	2.8
91.05482	3.1
93.07037	4.1
95.04978	0.6
95.08621	4.9
97.02898	5.7
99.04461	1.2
101.02389	1.9
105.07054	2.0
107.08608	2.0
109.02881	1.0
109.10175	1.7
119.08598	1.2
121.10171	2.3
122.29478	0.6
123.11706	0.7
127.03913	0.6
131.08563	0.8
133.08600	0.7
133.10159	1.3
135.11746	1.2
145.10083	0.7
147.11737	0.7
156.59042	0.6
157.10258	0.5
163.94681	0.5
185.04164	0.7
212.79868	0.5
243.08475	1.9
251.12737	0.9
335.25882	1.0
427.19678	0.9
467.19119	0.8
469.20523	4.3
519.29413	6.0
568.86060	0.6
604.36108	0.7
696.96881	0.6
705.41888	0.6
747.42859	100.0
748.43689	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	747.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
55.05503	20.4
57.03446	6.7
57.07080	7.5
61.66754	6.2
65.03947	8.3
67.05508	71.5
67.05846	9.8
69.07055	26.2
79.05502	67.0
80.53124	5.9
81.03406	6.4
81.07056	68.4
83.08600	12.3
85.82542	6.6
87.06370	5.7
91.05484	92.6
93.07023	58.5
95.04965	13.1
95.08622	46.9
98.21519	19.0
105.07041	74.9
107.04957	24.7
107.08601	19.6
109.10157	11.6
117.07030	20.1
119.08598	44.8
121.10118	21.2
129.07014	13.4
131.08597	47.1
133.06454	7.3
133.10143	15.0
135.11760	8.6
143.08597	6.3
145.10136	21.8
151.07629	8.9
159.11703	9.9
171.11647	6.9
172.89882	5.9
173.13319	7.1
184.07455	7.1
187.14735	11.1
204.98665	6.8
205.15910	6.9
233.15364	62.3
307.19077	46.9
335.25818	59.6
550.42029	10.9
567.40430	100.0
747.40930	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01869	3.8
55.05519	5.4
57.07082	9.5
67.05505	8.2
69.07077	5.5
69.14848	1.6
69.15257	5.8
71.08633	7.2
74.19353	0.6
75.98734	0.6
77.05698	0.6
79.05491	6.0
81.07062	28.2
83.04990	1.6
83.08617	3.7
85.02950	0.8
85.06530	0.6
85.10194	3.5
91.05470	2.1
93.07053	4.2
95.08614	12.3
97.06522	1.6
97.10167	1.1
105.07033	3.1
107.08599	4.6
109.06530	9.0
109.10167	5.1
111.04451	14.6
119.08568	4.6
121.10165	4.5
123.08051	1.3
123.11697	3.4
125.05990	4.7
131.08542	1.9
133.10136	5.6
135.08066	2.3
135.11697	4.7
137.05986	100.0
137.13243	1.6
138.06337	1.1
139.07507	0.8
143.08571	1.1
145.10149	1.8
147.08025	1.8
147.11708	6.4
149.09662	4.7
149.13257	1.9
151.07561	3.0
151.11201	0.7
157.10152	2.3
159.11668	1.3
161.09637	5.8
161.13255	2.9
163.11183	2.7
165.09151	1.6
167.10693	1.5
171.11716	0.8
175.11208	5.0
175.14876	1.0
177.12723	0.7
179.10709	2.0
189.12762	1.5
193.12238	1.6
203.17958	5.8
213.16454	2.9
221.18996	1.8
231.17490	7.7
240.03326	0.8
241.15804	1.0
249.18462	6.5
277.18002	49.2
278.18457	1.4
282.27997	3.5
286.88675	0.7
295.19119	7.7
313.27405	17.3
320.22238	6.2
338.23074	0.7
351.21625	10.0
413.41888	0.8
589.44659	82.3
590.44489	3.8
607.45685	14.4
730.46362	1.3
748.43073	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	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
54.52313	0.4
55.01882	0.5
55.05502	1.3
57.03439	2.1
57.07081	0.5
61.02927	6.7
67.05506	5.9
69.03429	3.6
69.07074	1.6
71.04996	0.8
71.51896	0.6
73.02926	4.8
79.05499	3.7
81.03420	1.3
81.07064	7.3
83.04977	0.4
83.08626	0.9
85.02910	6.3
85.06567	0.5
87.04471	1.2
89.06052	0.5
91.03974	3.9
91.05488	2.7
93.07043	4.5
95.04966	0.6
95.08617	4.0
97.02903	4.6
99.04478	1.1
101.02393	1.8
104.29073	0.4
105.07043	1.9
107.08612	2.5
109.02899	0.8
109.10157	2.2
111.08032	0.4
117.07044	0.5
119.08623	1.1
121.10167	1.5
123.11733	0.6
127.03948	1.7
129.06999	0.5
131.08617	0.8
133.10182	1.5
135.11742	1.4
157.21642	0.4
159.11794	0.8
185.04266	0.8
203.05331	0.6
209.11545	0.9
243.08437	2.4
253.14262	1.3
335.25916	0.8
427.19485	5.9
471.22186	1.7
506.48883	0.5
519.29327	9.7
520.29950	0.6
555.18152	0.5
644.05121	0.5
656.44592	0.6
705.41827	8.4
706.42291	0.5
749.44470	100.0
750.44635	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	749.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.0
55.79054	0.5
57.03441	2.5
61.02930	5.7
63.14985	0.5
67.05508	6.7
68.97435	0.5
69.03432	3.9
69.07071	1.3
71.05001	1.3
71.27320	1.0
73.02934	4.1
74.02992	0.5
79.05517	2.9
81.03416	1.6
81.07065	7.7
83.04982	0.8
83.08631	1.2
85.02911	5.9
85.06555	1.3
87.04469	0.9
89.06061	0.6
91.03962	3.6
91.05495	3.3
91.06000	0.5
93.07050	4.5
95.04981	0.6
95.08617	3.4
97.02898	5.1
97.06554	1.1
99.04459	1.1
101.02386	2.2
103.03902	0.5
105.07042	1.9
107.08618	2.4
109.02885	1.0
109.10176	1.1
115.03951	0.5
117.07030	1.4
119.08584	1.3
121.06476	0.6
121.10175	1.3
123.11731	1.0
127.03941	1.5
131.08562	1.2
133.10149	1.2
135.11815	0.6
145.05035	0.6
147.11804	0.6
149.13293	1.2
159.11707	0.7
161.13377	0.6
183.89603	0.5
185.04268	0.8
187.13379	1.0
189.37894	0.6
243.08467	2.1
253.14294	0.9
305.47021	0.5
406.40298	0.6
427.19427	7.3
428.19562	0.7
471.22073	5.5
519.29254	4.8
606.48712	0.6
705.41632	7.0
749.44470	100.0
750.44684	8.4
750.57031	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
55.01877	0.5
55.05508	1.0
57.03445	1.7
57.07083	0.5
61.02933	6.0
65.20196	0.4
67.05508	7.0
69.03440	3.8
69.07069	1.4
69.39332	2.9
71.01357	0.4
71.04993	2.7
73.02925	4.2
79.05495	4.3
81.03425	2.8
81.07072	4.9
83.05004	0.5
83.08635	0.5
85.02913	5.5
87.04471	0.6
91.03970	3.2
91.05492	2.6
93.07050	3.8
95.04995	0.4
95.08610	4.1
97.02892	5.1
97.06561	0.8
98.21494	0.6
99.04474	0.8
100.25568	0.4
101.02381	2.1
103.03934	0.6
105.07050	1.6
107.08590	2.5
109.02899	1.2
109.10184	3.2
109.25999	0.3
117.07072	0.4
119.08601	1.8
121.10164	1.5
127.03921	1.9
131.08621	0.7
133.10165	1.1
135.11687	1.7
137.09634	0.6
145.10138	0.4
147.11729	0.7
151.11313	0.4
159.11681	0.6
172.02713	0.3
185.04240	0.4
243.08401	1.9
243.15927	0.4
253.13997	1.9
335.26010	0.9
427.19824	0.4
471.21985	4.2
519.29437	8.5
520.29517	0.4
535.27484	0.3
603.34814	0.4
614.44995	0.4
711.83551	0.4
717.42316	1.0
749.44458	100.0
750.44733	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	750.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01876	0.8
65.03939	0.4
69.03422	0.5
70.64676	0.4
71.05001	0.4
73.20154	0.2
81.03423	9.2
85.02910	1.0
86.14683	0.2
91.05486	100.0
92.05824	1.2
93.07040	0.4
97.02901	1.7
98.30380	0.2
99.04444	1.5
103.05447	1.1
105.06399	0.2
105.07010	1.2
107.04962	6.4
109.02887	16.2
115.05460	5.6
117.07024	2.2
118.04166	0.4
119.04944	2.1
121.06495	1.0
125.02338	0.2
127.03924	22.5
128.04289	0.2
129.06999	0.2
131.04916	0.5
131.08548	0.9
133.06512	2.1
138.48988	0.2
139.03876	0.3
141.05409	0.5
143.04930	3.4
143.05995	0.4
144.05670	0.5
145.04813	0.2
145.06506	0.6
147.04420	0.7
147.08037	0.5
148.05064	0.3
149.05977	1.0
151.07590	0.4
159.08049	0.4
161.05989	12.0
162.06369	0.2
165.06821	0.2
169.03534	0.5
169.04973	8.7
171.04416	5.0
172.04785	0.2
175.07535	1.5
177.05467	1.2
179.07047	7.1
180.07372	0.2
181.08603	0.6
187.06047	0.7
189.05490	1.9
191.07040	2.9
193.08617	59.7
194.08981	1.3
199.07576	0.6
203.07033	9.0
208.23642	0.2
209.06155	0.3
209.08089	5.3
211.05962	0.5
217.08632	0.4
221.08090	4.3
223.07542	0.5
229.07080	5.3
231.06540	1.3
235.09654	5.3
251.07051	0.3
263.09164	19.3
264.09537	0.3
269.08170	0.7
287.09198	0.7
289.09152	1.3
301.10962	0.2
315.08554	0.6
357.13226	0.9
389.12213	0.7
398.47638	0.2
449.14404	0.3
509.16489	0.4
658.11853	0.2
715.22137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
53.68219	1.0
55.01867	2.4
57.03440	1.8
59.19796	0.7
61.02930	1.7
65.03901	0.8
67.05493	1.5
68.99810	1.0
69.03085	0.9
69.03437	11.3
70.06583	1.9
70.14649	1.5
70.15047	1.8
71.04972	2.2
73.02895	2.0
73.94141	0.8
76.63521	0.8
79.05488	1.9
81.03419	9.8
81.07050	3.2
85.02449	1.1
85.02918	17.0
86.09669	0.8
87.00845	7.0
88.11835	0.7
91.05487	6.1
93.07040	1.6
94.04202	3.9
95.04954	1.9
97.02897	6.3
99.04459	1.9
103.05463	7.8
105.01868	3.5
105.07032	3.2
107.05000	1.7
107.08558	1.3
109.02893	8.9
109.06522	1.1
109.10180	2.2
115.05460	2.8
117.07015	1.4
119.04929	1.8
119.08583	1.4
121.02879	0.8
121.06501	1.0
122.03648	8.8
127.03925	12.1
128.06218	1.9
129.01863	1.4
129.06992	3.5
131.04939	15.8
131.08577	3.1
133.06480	1.4
133.10023	1.0
135.04436	0.8
135.11647	1.3
136.05115	1.0
137.05988	100.0
138.06281	1.3
141.06981	2.9
143.04930	1.0
143.08606	1.3
145.04936	3.4
145.06529	1.8
146.03641	0.9
147.02980	0.8
147.04387	2.1
147.11636	0.9
148.05157	0.8
149.06023	4.2
151.03914	3.7
151.07538	6.8
151.11159	0.9
153.06947	1.0
155.08572	1.5
157.06487	2.4
158.07257	1.1
159.02885	3.2
159.08055	3.1
160.05190	1.6
161.06007	8.8
163.07564	9.8
169.06473	2.3
170.07301	1.3
171.08023	1.8
175.07578	8.4
177.05463	2.1
177.09077	1.6
179.07054	1.5
184.05229	1.0
186.06770	1.1
187.07561	3.7
189.09088	2.6
191.10658	2.0
195.08147	1.1
199.07530	2.0
201.09099	7.0
203.08670	1.7
203.10539	0.8
205.06607	1.0
205.08644	1.0
211.07549	1.9
213.09120	1.5
215.08711	1.6
215.10686	1.6
219.08151	1.7
219.10167	7.9
224.08266	1.1
225.09068	2.2
227.10686	1.7
229.04967	1.4
231.04967	1.2
231.08054	2.1
232.08862	1.9
237.09106	1.2
239.06863	0.9
243.08028	1.8
247.11183	1.5
248.08339	1.8
249.09076	1.4
253.08481	1.5
257.09717	1.3
259.07385	1.8
259.09650	6.1
260.08304	2.4
261.09161	1.8
263.06906	0.8
263.10812	1.3
265.08588	1.2
269.09601	2.2
271.07498	1.8
272.08157	1.0
273.08942	1.6
274.09747	0.8
275.10782	3.9
276.07657	1.0
277.08615	3.2
279.06628	1.2
279.10019	1.3
281.11517	0.9
282.08960	2.0
283.09833	1.3
285.08920	1.0
286.09946	1.1
287.10736	1.1
288.07953	1.3
289.08560	2.4
289.11911	1.1
291.10214	5.8
292.10873	1.9
293.07980	1.1
293.11700	2.4
295.09558	1.7
297.11389	10.0
301.08591	1.1
301.11960	1.2
302.09439	1.4
303.10165	4.0
305.08148	1.1
305.11597	1.7
307.09702	1.7
307.13232	1.4
308.10419	1.1
309.11136	2.8
315.10092	1.6
317.11707	2.9
319.09671	1.2
320.10400	2.3
321.11234	2.4
323.12762	6.6
325.14352	1.2
327.09988	0.9
329.11685	3.6
330.12692	1.1
331.09683	1.1
333.11200	1.7
333.15048	0.9
334.11685	1.3
335.12836	14.7
337.14365	1.5
343.09680	0.9
347.12952	3.7
349.14395	4.1
351.16058	1.3
353.14124	1.5
361.14365	7.8
363.15808	1.9
367.09271	1.0
370.12164	0.9
371.12997	0.9
379.15488	5.8
385.10745	1.5
387.12173	1.9
396.09470	0.9
399.12082	1.7
400.09171	1.5
411.12180	1.2
412.09518	1.0
413.09750	1.7
415.11874	8.2
419.14789	1.1
424.13464	1.0
427.11737	1.9
428.12506	5.0
430.14288	9.8
431.14630	1.8
442.13895	2.4
443.09473	1.3
443.14987	15.1
444.15149	1.1
453.16858	2.5
454.17905	1.6
457.16565	6.9
471.18274	4.1
472.14093	1.0
473.19504	2.7
483.18060	1.9
485.19675	56.6
486.20120	1.9
487.21219	1.2
496.14453	1.0
497.19543	0.9
501.18774	1.0
503.20673	22.5
504.20789	1.1
509.19601	1.4
513.19177	1.0
527.20374	3.0
551.20453	0.9
593.21814	1.1
708.68127	1.1
733.24908	1.7
751.24731	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	16.0
55.01867	5.0
55.05515	35.5
57.03434	14.1
57.07092	4.8
60.15640	5.0
65.03950	5.9
67.05511	94.5
69.03437	12.3
69.07072	32.3
69.32386	32.1
71.04986	7.5
79.05502	94.4
81.03439	21.2
81.07072	89.2
83.04988	7.3
83.08605	11.4
85.02914	15.9
86.09718	7.5
91.05495	84.5
93.07053	100.0
95.04980	20.3
95.08620	70.2
97.02895	12.4
97.06535	8.3
97.10191	7.7
99.04440	5.1
103.05479	4.2
105.07040	74.8
105.14871	3.9
107.04951	10.2
107.08598	53.6
109.02884	12.9
109.06513	9.1
109.10186	31.5
111.04495	5.5
115.05434	6.0
117.07039	38.9
119.08592	50.4
121.06526	8.7
121.10166	36.6
123.08064	7.4
123.11714	4.8
127.03938	7.1
128.06244	10.8
129.07025	27.5
130.07803	3.7
131.08612	48.8
133.06482	11.4
133.10152	36.3
135.08061	11.4
135.11729	16.6
137.09676	5.1
141.07013	11.2
142.07814	7.4
143.08583	24.0
145.06468	6.4
145.10147	50.7
147.08073	10.4
147.11707	25.4
149.05981	3.7
149.09596	8.7
149.13280	14.2
151.25266	3.4
155.08592	18.1
156.09315	3.9
157.06387	5.1
157.10121	25.5
159.08057	10.7
159.11699	26.2
161.09656	5.6
161.13289	16.4
163.11182	5.8
163.14822	4.2
167.08632	11.2
169.10153	11.3
171.08136	4.8
171.11667	20.0
173.09647	7.2
173.13275	18.4
175.11345	4.4
175.14870	6.7
181.10179	11.7
183.08000	5.9
183.11688	15.0
184.07356	19.2
185.13257	17.3
187.11197	4.5
187.14923	7.9
189.12823	4.3
195.08311	4.8
195.11760	6.5
197.09555	4.6
197.13327	12.3
199.11165	6.0
199.14761	4.3
209.13300	10.2
211.14856	8.8
213.16440	4.4
219.83167	4.3
225.12654	5.9
225.16386	4.8
230.10126	4.5
239.14113	5.1
241.19562	6.2
257.19214	5.3
259.20541	9.3
261.22092	8.6
271.20551	7.8
275.20236	4.5
277.21695	4.5
285.22031	4.9
299.19986	4.6
301.21576	6.2
308.58374	3.9
309.26547	4.3
313.21725	11.2
321.21960	4.8
325.21393	7.4
335.25848	42.4
337.21432	5.0
339.23114	4.9
344.70721	4.5
349.21640	12.1
367.22650	20.4
385.23712	19.1
400.01004	4.4
403.24664	8.0
441.26553	11.0
459.27301	10.3
464.94229	4.4
477.28555	6.7
513.30981	4.1
593.45392	6.8
623.46716	4.6
635.46979	4.7
677.47217	8.0
689.47223	4.6
701.47742	21.2
719.48871	13.4
737.49774	21.8
755.51013	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	756.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01873	0.4
57.03419	0.2
59.28437	0.1
60.04477	0.1
61.02910	0.4
66.75999	0.1
69.03432	3.6
69.46268	1.1
70.06595	0.3
71.04993	0.5
77.03938	0.3
79.05495	1.2
81.03421	3.4
83.01331	0.3
84.08138	0.2
85.02909	6.7
86.09680	0.2
91.05473	0.4
95.04979	1.1
97.02892	5.4
98.20839	0.2
99.04449	1.8
100.89120	0.1
105.04516	0.7
105.07011	0.2
107.04958	100.0
108.05283	1.5
109.02882	12.5
117.06976	0.2
119.04958	0.3
125.21938	0.2
127.03920	8.4
131.04932	0.3
133.10141	0.2
137.06000	0.3
139.03873	0.8
145.04974	1.7
145.06126	0.2
145.06499	0.2
147.04414	0.6
161.05914	0.2
167.07066	0.4
169.04999	1.9
179.06989	0.2
186.87921	0.1
187.06015	5.9
188.06416	0.2
198.76971	0.1
229.07133	1.6
247.08133	5.5
249.17232	0.1
269.36276	0.2
279.10089	0.2
301.06952	0.4
302.07327	0.2
640.75055	0.2
695.36090	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	756.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
54.29287	0.1
54.53872	0.1
55.01870	0.2
57.03443	0.1
61.02923	0.5
69.03433	3.2
70.06608	0.1
70.24112	0.3
71.04984	0.4
77.03919	0.4
79.05490	1.1
81.03419	3.9
83.01339	0.3
84.08118	0.1
85.02910	5.2
86.09718	0.1
91.05482	0.5
95.04975	1.4
97.02895	4.7
99.04465	1.8
103.03963	0.1
105.04516	0.7
107.04960	100.0
108.05285	1.3
109.02883	11.4
115.03905	0.2
121.08511	0.1
127.03922	7.2
139.03914	0.8
145.04977	1.2
145.06509	0.2
147.04388	0.1
169.04990	2.2
169.06384	0.1
179.07060	0.2
187.06024	5.5
202.16966	0.1
207.06538	0.2
211.25018	0.1
213.93663	0.1
229.07077	1.5
247.08154	4.9
282.68091	0.1
308.26974	0.1
338.03500	0.1
654.43201	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	756.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
54.47696	0.2
55.01879	0.4
61.02926	0.4
63.05568	0.1
69.03432	3.0
69.39079	0.1
69.97888	0.4
69.98303	0.2
71.04990	0.7
77.03927	0.3
79.05486	1.4
81.03418	3.5
81.09908	0.1
83.01348	0.3
85.02908	4.1
91.05486	0.2
95.04965	1.2
97.02890	2.9
99.04462	2.8
99.21133	0.1
103.03933	0.7
105.04498	0.6
107.04958	100.0
108.05282	1.3
109.02882	9.9
115.03913	0.2
119.04985	0.2
125.25726	0.1
127.03917	17.0
128.04306	0.2
137.05974	0.5
138.06319	0.1
139.03926	0.6
145.04968	1.6
145.06093	0.2
145.06572	0.1
147.04439	0.2
161.05980	0.1
167.07033	0.4
169.04962	2.4
170.02257	0.1
179.48193	0.1
181.04947	0.2
187.06017	5.7
189.05382	0.1
205.07043	0.2
207.06573	0.2
229.07076	5.9
239.76154	0.1
247.08134	8.3
299.23938	0.1
417.15033	0.1
503.00552	0.1
512.54797	0.1
546.07227	0.1
756.25775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.216
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03951	0.8
55.01864	0.5
55.05521	0.7
57.03437	2.7
61.02920	0.9
65.03943	0.3
68.99790	0.7
69.03432	4.3
69.83606	1.3
70.06592	0.4
71.01370	0.5
71.04996	14.6
73.02924	1.1
75.04485	1.2
79.05488	0.3
81.02982	0.4
81.03419	3.9
83.01332	0.5
83.04987	2.5
85.02908	31.1
86.03226	0.3
87.04470	0.7
91.03960	0.3
97.02892	5.2
99.04449	2.3
103.03951	0.4
105.03399	0.3
107.04961	0.4
109.02884	6.1
111.00798	0.8
111.04451	1.4
121.02870	2.9
121.10538	0.2
127.03922	7.9
129.04509	0.4
129.05481	7.4
133.02855	0.5
135.04414	0.2
137.02338	0.8
139.03912	0.3
145.04959	3.1
145.06100	0.4
147.04430	1.0
147.06534	3.3
153.01849	3.7
157.06473	0.3
163.06029	0.7
165.01842	1.7
169.04982	1.1
183.02899	0.7
185.06013	0.5
187.06018	5.0
197.06001	0.3
203.07057	0.3
205.07036	0.8
213.05495	1.3
213.07277	0.2
215.05513	0.4
217.74315	0.2
229.05037	0.4
229.06992	1.1
231.06525	1.0
241.05020	1.0
248.88644	0.3
255.08679	0.5
258.05237	1.4
259.06049	0.4
269.04492	0.3
273.09717	0.3
283.05811	0.4
287.05505	100.0
288.05820	2.7
299.05566	2.2
300.06488	0.3
301.06964	0.2
303.05020	3.4
309.11716	0.4
311.05518	0.7
325.07089	0.5
329.06558	5.7
353.06482	0.9
365.06467	0.3
383.07513	0.6
395.07629	0.5
413.08694	0.5
431.09644	1.3
441.28293	0.3
449.10767	1.4
495.77872	0.3
611.15918	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2188
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03942	0.3
54.95100	0.2
57.03442	1.1
61.02919	0.5
69.03432	1.3
69.16074	0.9
69.16496	1.0
71.04998	7.7
73.02915	0.3
75.04474	0.4
75.67629	0.2
81.03401	0.7
83.04963	0.5
85.02910	10.4
87.04477	0.3
97.02878	1.1
98.21461	0.4
99.04449	0.4
109.02886	0.4
111.00826	0.4
121.02881	2.1
121.81576	0.2
127.03914	0.7
129.05484	1.8
133.02832	0.5
137.02313	0.4
145.04958	0.7
145.06509	0.2
147.04337	0.4
147.06551	0.5
153.01837	2.3
157.06491	0.3
165.01880	1.2
183.02888	0.5
185.05946	0.4
203.75081	0.2
213.05569	0.9
231.06526	0.5
241.04936	0.8
245.04153	0.2
258.05258	0.7
259.06021	0.3
287.05515	100.0
288.05835	2.4
292.30219	0.2
303.04919	0.2
329.06534	0.4
449.10852	20.4
450.11026	0.8
460.60403	0.2
615.70856	0.2
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	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.03940	0.5
55.01861	0.3
55.05512	0.3
57.03439	2.4
61.02911	0.8
68.99802	0.5
69.03432	1.7
70.06595	0.3
70.95723	0.6
71.01334	0.3
71.04997	10.1
72.18543	0.2
73.02902	0.5
75.04476	0.9
81.03419	1.1
83.04983	2.3
85.02909	18.9
87.04475	0.3
91.03889	0.3
95.04979	0.3
97.02899	2.5
99.04453	0.7
106.65638	0.2
107.04988	0.3
109.02901	1.6
111.00819	0.8
111.04450	1.3
121.02889	1.8
127.03930	2.3
129.05490	4.4
133.02852	0.3
137.02356	0.9
139.55034	0.3
145.04990	1.9
145.06120	0.3
147.04443	0.4
147.06502	2.1
153.01855	2.9
157.06410	0.3
163.06087	0.3
165.01843	1.5
183.02933	0.8
185.40230	0.3
187.06017	1.0
213.05466	1.0
229.04883	0.7
238.16066	0.3
241.04987	0.8
255.08690	0.2
257.04459	0.5
258.05273	0.7
259.05963	0.3
285.03818	0.3
287.05508	100.0
288.05798	2.3
299.05359	0.4
303.05014	18.6
329.06598	0.7
353.06491	0.3
431.09366	0.3
449.10934	1.7
465.10364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2189
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01890	0.3
55.05505	0.2
57.03440	1.4
60.68890	0.2
61.02920	0.4
65.65769	0.1
68.99777	0.2
69.03432	1.1
70.06577	0.3
70.76353	0.3
71.01412	0.1
71.04999	7.8
73.02914	0.5
75.04477	0.4
81.03423	0.5
83.04974	0.4
85.02913	11.6
87.04485	0.2
97.02908	1.0
99.04441	0.4
105.03410	0.2
107.04954	0.2
109.02859	0.5
109.29605	0.2
111.00786	0.6
111.04450	0.4
121.02872	2.0
127.03938	0.9
128.58846	0.2
129.05482	2.1
133.02856	0.4
136.20662	0.2
136.93912	0.1
137.02350	0.4
145.02905	0.1
145.04984	0.8
147.04480	0.2
147.06538	0.4
153.01839	1.8
161.05922	0.2
165.01796	1.0
166.68379	0.2
183.02895	0.5
185.05956	0.3
185.80763	0.2
189.05492	0.2
197.05988	0.3
198.10495	0.2
203.03296	0.2
213.05487	0.8
213.12164	0.2
224.67081	0.2
231.06454	0.5
241.04976	0.6
258.05264	0.5
259.05963	0.3
269.04364	0.2
286.04483	0.2
287.05518	100.0
288.05872	2.7
295.06107	0.2
299.05624	0.2
303.05023	0.7
325.07050	0.3
329.06680	0.4
337.07211	0.2
353.06396	0.3
449.10831	19.3
450.11185	0.6
658.45532	0.2
773.20435	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
59.54669	1.1
63.66839	1.0
65.03957	1.6
65.34699	0.9
67.05512	2.1
70.06595	4.1
70.32526	1.1
70.68646	2.3
70.69010	1.7
71.04999	2.1
76.32658	1.1
78.13039	1.1
79.05505	4.0
80.05042	1.7
81.03412	5.9
81.07045	2.1
82.06580	1.3
84.04523	1.4
84.08139	1.5
85.02892	4.1
86.09696	2.1
91.05515	7.4
93.05800	3.3
93.07059	5.6
94.06580	12.9
95.04974	2.2
95.07352	3.3
96.04498	1.2
96.08134	9.5
97.02909	2.4
97.06565	1.5
103.05473	3.7
105.04569	1.5
106.06561	2.2
107.04974	3.4
107.07361	4.4
108.04505	3.4
108.08122	28.2
109.02882	3.2
110.09683	15.9
116.05034	1.2
118.06727	1.4
120.04507	5.4
120.08115	22.7
120.55645	1.3
122.06034	20.6
122.09679	11.6
124.07595	6.7
127.03928	3.4
129.10219	1.5
132.08131	3.0
134.05995	3.0
134.09715	1.3
136.07588	47.6
137.06006	1.5
138.05576	2.3
138.09148	25.4
144.08092	1.9
146.06017	8.6
146.09775	1.6
147.04430	1.3
148.07570	16.5
150.09145	11.1
152.07060	8.4
158.09750	2.2
160.04021	2.8
160.06445	1.2
160.07585	5.6
162.05476	2.6
162.09138	1.3
164.07121	4.8
166.08638	20.2
172.03975	5.1
172.07663	1.7
174.05583	3.8
174.09196	2.2
176.07159	2.7
178.08655	2.0
180.10207	1.8
186.09236	1.7
188.07214	1.2
190.05038	6.7
195.09189	2.5
197.10838	3.2
198.11511	2.9
199.12291	2.4
207.06822	1.4
209.10857	4.1
210.11513	3.1
211.08801	2.0
211.12234	8.4
212.09512	3.5
212.13162	2.0
213.10306	4.5
213.13913	1.6
218.08157	1.2
220.09987	1.7
221.10806	3.6
222.11545	1.5
223.08856	2.6
223.12231	8.1
224.09517	4.0
224.13055	2.4
225.10252	21.8
225.13864	2.4
226.09068	1.6
226.10965	8.0
227.11758	12.0
229.13390	2.2
233.10840	3.1
235.08781	3.1
235.12399	4.1
236.09384	5.6
236.13205	1.6
237.10233	21.3
237.13857	1.7
238.10971	15.3
239.11781	35.9
240.12608	9.3
241.09840	1.5
241.13510	3.8
243.11221	1.2
245.12892	1.5
246.11273	2.0
248.09441	3.1
249.10249	13.4
250.10954	8.7
251.08359	2.6
251.11800	43.8
252.09013	3.8
252.12532	17.0
253.09856	6.7
253.13351	13.1
254.14223	2.3
255.11305	8.7
261.10165	2.6
262.11038	6.3
263.08170	2.5
263.08743	1.8
263.11826	27.4
263.14499	1.9
264.09058	7.1
264.12473	7.9
265.09805	16.5
265.13474	16.0
266.10565	10.1
266.14044	7.4
267.11337	27.2
267.14383	1.8
268.11993	2.8
269.12939	3.0
271.10870	2.7
271.14520	2.2
273.12473	2.9
275.11996	2.8
276.12604	2.0
277.09851	7.2
277.13437	4.8
278.10519	8.8
278.13428	1.1
279.11307	43.8
279.14435	2.5
280.11987	10.2
281.09735	2.0
281.12827	17.6
282.13531	1.9
283.10858	3.7
284.11618	3.5
285.12326	30.3
287.14145	1.4
291.11310	14.8
291.14423	1.3
292.12094	4.0
293.09583	2.1
293.12778	16.0
295.10825	5.3
295.14148	2.3
296.11713	4.4
297.12354	31.7
298.13190	3.9
299.13965	10.1
303.11304	1.9
305.12833	1.8
306.13550	1.4
307.10898	4.7
309.12372	10.0
310.13184	2.2
311.10425	3.7
311.13892	37.7
312.14682	2.4
313.15640	2.3
315.13910	2.1
316.14572	2.1
319.10803	11.6
321.12338	14.1
322.13208	4.1
323.10303	15.4
323.13934	3.1
324.10974	3.4
325.11856	10.0
325.15240	1.6
326.12701	1.7
327.13434	6.6
328.14459	2.8
330.12811	1.2
330.16071	6.3
332.17767	1.4
335.14175	1.7
337.11832	8.2
338.12308	1.6
339.13516	10.1
340.14435	1.7
341.15146	3.2
342.16110	4.2
343.16675	1.7
344.13992	1.8
344.17639	5.1
346.19284	1.7
351.13550	4.9
353.11221	1.7
353.15115	4.9
354.16330	2.2
356.13928	1.9
356.17752	1.8
357.14841	5.3
357.18692	1.8
358.15549	3.3
358.19470	2.0
359.20343	1.4
360.16986	1.5
363.13458	3.9
364.14392	1.8
365.11484	4.8
365.15161	2.9
367.12903	2.8
368.14032	2.0
369.14499	6.0
370.15543	5.7
371.16208	2.0
372.16977	6.2
373.17920	1.3
374.18781	3.4
379.12924	1.9
381.14560	4.5
382.15228	2.2
383.16235	4.6
384.17224	6.2
386.18884	4.0
387.15704	1.4
388.16467	2.2
390.17905	1.7
393.14642	4.1
395.16324	3.2
396.17148	2.6
397.13953	2.2
398.14706	2.3
399.15552	6.6
400.16275	6.3
401.17365	2.0
402.18265	3.9
404.19806	3.8
405.14539	1.5
410.15106	2.0
411.15543	12.7
412.16437	8.8
413.17291	2.0
414.18222	4.1
418.21393	3.7
421.13931	2.0
423.15714	4.3
424.16455	5.3
427.15195	3.3
428.15628	2.7
429.16486	10.6
430.17627	12.3
431.18497	1.3
432.19202	4.0
433.13916	1.4
435.15686	3.4
439.14987	5.7
440.15704	2.1
441.16492	9.9
442.17596	4.5
443.18515	2.2
446.20990	5.1
448.18622	3.4
450.20215	3.9
451.15402	2.5
453.16583	8.1
454.17545	1.2
457.16006	3.1
458.16513	1.5
459.17709	4.1
460.18634	2.9
462.19806	2.3
463.15198	3.7
465.16943	2.5
467.14212	9.6
469.16156	4.4
471.17755	12.8
472.18973	4.4
474.20462	2.2
476.18243	1.5
481.16083	14.2
486.20184	1.3
490.20087	3.8
499.17282	1.4
502.19653	2.7
504.21350	1.4
506.22919	1.4
516.21021	1.5
532.21307	3.5
538.19702	1.5
544.20886	2.0
546.22595	2.5
556.20673	6.9
557.21387	2.0
558.21924	2.9
562.22009	5.1
565.23828	2.2
566.24994	1.9
568.20911	3.2
570.22632	2.7
574.21710	9.8
575.22363	3.4
576.23492	3.5
577.24371	3.2
578.24762	4.7
580.22656	9.0
586.21814	6.4
588.23584	2.8
590.25092	5.4
591.24200	1.4
592.22888	9.2
593.23712	100.0
594.24445	36.0
595.25513	5.1
598.21362	1.8
604.22968	8.6
606.24481	35.9
607.25116	3.9
613.26697	1.4
616.22839	3.1
617.24103	2.7
618.24500	10.2
619.26227	1.6
620.22412	58.7
621.23157	17.1
622.23901	21.5
623.24268	1.4
634.23999	63.4
635.24451	12.5
636.25690	9.5
637.26202	1.9
652.25293	2.5
655.27863	2.1
675.28436	4.3
693.29065	3.9
703.27771	3.8
711.29840	6.4
715.29871	3.7
721.28638	6.0
729.31238	4.8
739.29773	27.4
740.29205	1.8
757.30719	44.9
758.30524	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	757.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.1
53.12363	2.8
55.01888	4.0
55.05516	28.7
57.03430	9.0
65.03931	5.9
65.10229	2.6
67.05508	92.2
69.03440	30.4
69.07075	25.6
71.04982	9.5
75.34204	2.7
79.05498	81.8
81.03419	16.7
81.07058	100.0
83.04997	8.0
83.08617	11.7
84.49523	2.8
85.02908	10.4
85.06537	4.6
86.09728	6.5
91.04912	3.9
91.05487	71.8
93.07050	79.4
95.04966	11.6
95.08607	62.7
97.02924	7.3
97.06539	9.3
97.10194	7.2
98.21612	5.4
103.03880	2.9
104.26665	3.4
105.04472	4.3
105.07037	47.5
107.04942	6.7
107.08613	43.7
109.02892	7.4
109.06495	7.6
109.10163	23.7
111.04458	8.8
115.05458	7.5
117.07019	25.2
119.08581	35.0
121.06507	7.3
121.10159	26.4
123.08082	5.6
123.11720	10.4
125.09645	4.0
129.05527	4.6
129.07018	10.5
131.08598	30.2
133.06491	8.7
133.10143	28.5
135.08066	6.9
135.11723	20.0
137.09615	6.5
141.07010	5.5
143.08566	12.0
145.10150	29.4
147.08066	9.0
147.11722	17.2
149.09612	3.6
149.13258	11.1
151.07489	3.2
155.08556	4.7
157.10147	10.6
159.11739	18.6
161.13272	13.1
163.11102	3.6
163.14833	5.3
169.10097	5.2
171.07986	3.5
171.11681	8.3
173.09689	3.2
173.13269	14.9
175.11241	4.9
175.14864	4.7
181.10077	6.4
183.11731	7.3
184.07359	18.2
185.13248	9.4
187.11177	4.2
187.14841	5.7
189.12772	5.5
195.11751	3.3
197.13318	5.9
199.14680	5.0
201.16429	7.6
208.75648	2.9
209.13269	4.6
229.03502	3.1
239.17708	3.0
243.21043	3.0
252.00798	3.1
259.20541	6.2
261.22183	13.1
271.20483	4.6
277.21664	6.6
301.21619	9.9
309.22137	5.4
315.23294	5.2
317.24942	3.8
335.25809	39.6
341.24677	3.5
345.24445	4.1
351.23160	10.7
363.25150	3.3
369.24258	16.3
387.25357	5.4
405.26215	7.2
443.27957	4.9
461.28979	8.8
479.29846	6.4
595.47455	3.6
721.49994	4.7
739.51447	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	757.525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	13.6
53.83827	1.5
55.01879	3.8
55.05515	21.5
57.03443	13.5
57.07083	7.8
65.03943	4.3
67.05509	100.0
68.52557	1.5
69.03442	13.4
69.07074	22.5
69.52330	11.4
71.04998	6.4
71.08620	5.1
73.02931	1.8
77.03927	1.9
79.05499	75.3
81.03433	22.7
81.07063	91.6
82.07401	2.5
83.04990	6.3
83.08618	12.2
85.02923	11.2
89.06036	4.6
90.43713	1.6
91.04920	2.4
91.05485	54.1
93.07049	79.2
95.04968	11.7
95.08613	71.6
96.08945	2.2
97.02911	10.6
97.06534	5.5
97.10162	3.9
98.21579	3.0
99.04467	6.3
99.08102	3.5
103.03961	6.9
105.04526	4.6
105.07043	35.3
107.04963	3.7
107.08604	43.9
109.02889	7.1
109.06538	4.6
109.10165	33.7
111.04468	4.3
111.08120	2.1
113.38675	1.7
115.05472	2.4
117.07045	14.5
119.08601	28.4
121.10155	36.9
123.08076	6.1
123.11725	9.6
124.99991	2.2
125.09624	2.0
127.03922	9.6
128.06294	2.5
129.07010	5.7
131.08586	26.2
133.10135	21.1
135.08139	2.3
135.11713	27.1
137.09633	3.4
137.13254	2.3
141.06947	2.9
143.08582	5.1
145.04997	2.3
145.10147	18.7
147.11696	15.0
149.13281	14.8
157.10152	3.8
159.11705	15.3
161.13268	12.3
163.11162	2.9
163.14854	6.7
165.12761	2.0
169.10126	3.6
171.11699	5.3
173.09610	1.9
173.13232	10.8
175.14865	3.2
177.16383	3.0
183.06573	6.1
183.11761	2.3
184.07338	5.7
185.13271	3.7
187.14801	7.1
191.14359	2.0
197.13297	2.0
199.14883	2.6
201.07610	2.3
201.16389	2.0
243.21175	7.0
259.20618	4.8
261.22137	27.5
271.20630	2.0
279.23233	2.0
285.22156	1.8
289.21527	2.4
301.21698	2.8
303.23264	2.2
317.24808	1.9
327.22995	1.7
335.25836	57.4
363.25247	11.7
369.24200	4.9
387.25192	3.7
405.26410	3.5
443.28052	3.0
479.29999	2.9
595.47040	2.0
721.06696	2.3
739.50922	2.0
757.52679	4.9
782.06378	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
53.46864	0.7
55.01871	1.1
55.05513	1.2
57.03437	1.4
57.07078	2.0
61.02929	1.4
69.03082	1.2
69.03436	15.5
69.07071	2.5
70.06602	2.9
71.05003	6.2
71.08644	0.9
73.02934	1.3
75.04464	1.1
79.05508	1.2
81.03426	17.4
83.05003	1.0
83.08639	1.4
84.08173	0.9
85.02912	34.9
85.10219	1.0
86.09721	3.0
89.58301	0.8
91.05487	100.0
95.04967	1.2
95.86369	0.7
97.02899	18.4
97.10178	2.2
99.04462	13.4
105.04527	0.8
105.07064	1.2
107.04963	44.5
108.05295	1.3
109.02883	38.4
110.03203	1.2
111.04444	0.9
111.11738	1.1
115.03910	0.9
115.05461	3.5
117.07018	9.0
119.04976	1.2
120.08164	1.0
123.83672	0.9
127.03926	96.2
129.05504	1.8
129.06940	0.8
133.06512	3.4
137.05954	0.9
139.03952	1.1
143.04947	4.3
145.04985	29.2
145.06497	13.8
147.06532	0.9
161.05994	40.8
169.04977	17.3
171.04416	22.1
179.05478	1.6
179.07050	32.1
187.06032	27.6
187.07706	1.5
189.05492	8.6
199.07721	0.9
205.07103	8.1
207.06522	5.2
221.08147	3.4
225.07640	2.7
229.07135	0.8
231.06607	2.4
249.07587	9.3
249.11572	0.9
269.08115	1.4
269.28470	2.6
270.29013	1.7
287.09204	3.8
293.76373	0.7
297.07629	0.7
305.10190	9.6
315.08661	3.0
333.09711	8.5
347.11298	7.8
351.10721	4.1
365.12241	1.1
375.10791	26.8
393.11789	20.4
411.12915	13.7
503.92514	0.8
633.01477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.1
54.26440	0.6
55.01871	1.2
55.05507	1.3
57.03432	0.8
57.07072	1.4
61.02908	1.7
67.05503	1.1
69.03432	15.8
69.07064	2.2
69.95965	3.1
70.06593	2.8
71.04984	4.1
71.08653	0.9
72.08173	0.9
79.05488	1.1
81.03426	18.5
83.01357	1.1
83.05000	1.7
83.08637	1.8
84.08157	1.7
85.02911	37.4
86.09714	1.9
91.05486	100.0
92.05823	1.4
93.07091	0.9
95.04942	0.9
97.02900	18.1
97.10181	1.5
98.21262	1.7
99.04462	13.6
101.31453	0.7
105.03410	1.0
105.07065	1.5
107.04962	46.1
108.05301	2.2
109.02885	35.3
109.10192	0.8
110.07204	1.1
111.11718	1.9
115.03944	1.6
115.05457	3.1
117.07029	10.7
119.04986	1.5
119.08627	1.1
120.08109	0.9
121.10207	0.8
127.03926	87.0
128.04248	0.7
129.05441	0.9
129.06958	0.9
129.10240	0.9
130.48711	0.7
133.06511	2.9
135.04448	0.8
137.05986	1.0
139.03961	1.5
143.04965	3.6
145.04987	31.8
145.06496	12.7
147.04422	1.3
155.06050	1.3
157.06543	0.8
161.05989	37.8
167.07002	1.2
169.04979	13.3
171.04417	22.1
179.07050	29.5
180.07500	0.9
187.06021	23.5
189.05486	9.4
201.71423	0.8
205.07120	7.8
207.06508	5.7
221.08180	3.3
225.07541	1.3
231.06494	3.3
249.07605	8.7
269.08240	1.4
269.28479	2.6
270.28870	1.4
276.41367	0.7
287.09119	3.6
305.10184	9.4
315.08743	1.6
333.09763	6.1
347.11203	6.3
351.10730	3.5
365.12469	1.9
375.10773	23.3
393.11853	18.9
393.16965	1.0
411.12881	14.7
412.13449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.7
55.01886	7.5
55.05513	23.1
57.03432	12.8
57.07059	2.0
61.02918	2.0
65.03927	3.8
67.05507	69.6
69.03422	5.5
69.06728	2.4
69.07070	35.1
69.20831	15.2
71.03504	1.5
71.04980	5.6
72.17625	1.4
73.94904	1.4
79.05495	57.7
80.05017	1.7
81.03426	8.6
81.07059	100.0
82.07378	1.7
83.04991	8.9
83.08617	20.3
85.02898	4.7
85.06523	5.4
86.09683	1.6
91.05481	39.3
93.07047	76.6
95.04977	8.7
95.08615	31.4
97.02870	3.3
97.06540	20.6
97.10146	6.8
98.20786	3.0
98.98428	1.5
99.04439	3.3
99.08117	3.7
105.07034	32.3
105.07709	1.4
107.04977	8.4
107.08602	44.2
109.06497	6.2
109.10149	8.8
111.08076	6.3
113.09649	1.7
115.05432	2.0
117.07037	18.2
117.79969	1.6
119.08584	21.0
119.52389	1.3
121.06487	4.8
121.10152	24.4
123.08016	2.8
123.11696	4.7
125.00003	1.9
125.09638	6.0
129.06973	5.8
131.08588	20.0
133.10121	20.7
135.08040	4.3
135.11690	13.9
137.09581	3.3
139.11218	1.8
141.07021	2.4
143.08620	4.0
145.10135	14.4
147.11734	10.7
149.09648	12.6
149.13275	26.2
151.11107	3.3
155.08519	2.1
157.10117	1.9
158.91945	1.7
159.11707	17.3
163.11137	7.0
163.12337	1.9
169.10100	3.7
171.11673	3.3
173.13210	3.4
177.12735	8.4
179.14426	2.1
183.11716	2.8
184.07364	5.6
185.13223	3.5
189.11125	2.0
195.13791	12.8
197.13242	1.8
203.14224	1.9
222.45784	1.4
223.13269	2.3
227.12746	9.4
239.17993	3.1
255.16022	3.3
257.18964	6.9
267.15955	3.0
269.17490	90.9
270.17581	3.4
275.20041	25.9
293.20953	3.3
337.27383	3.7
349.23734	20.0
367.24542	2.2
413.21738	2.3
423.27164	1.9
439.26825	3.6
449.28983	21.4
463.30585	75.3
464.30713	2.1
479.30478	2.0
503.33719	6.7
517.34967	2.3
543.36829	39.6
557.27075	1.8
561.37744	9.8
607.34558	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.5
55.01865	7.5
55.05507	27.8
57.03424	17.0
59.79716	3.3
61.02927	3.9
65.03934	6.2
67.05184	5.9
67.05509	88.3
69.03420	7.0
69.07079	27.3
70.85851	8.0
70.86198	5.0
71.04985	8.0
79.05497	82.6
81.03397	9.9
81.07058	93.5
83.04974	18.6
83.08640	16.4
85.02898	10.1
85.06508	3.4
86.09702	7.9
88.05672	3.0
91.05480	55.3
93.06477	5.9
93.07050	87.7
93.83139	2.9
95.04984	15.9
95.08614	54.7
97.02884	10.4
97.06533	10.4
97.10169	6.4
100.31128	3.4
104.84963	3.6
105.07053	34.3
107.04946	15.5
107.08591	39.8
109.06512	5.5
109.10153	23.6
111.04430	13.1
111.08067	8.2
111.11739	7.1
117.07023	13.6
117.83373	3.3
119.08567	30.2
121.06559	4.5
121.10144	58.4
123.08086	3.3
123.11693	7.2
124.99953	5.9
125.09634	3.7
129.07025	6.1
131.08600	24.2
133.10136	25.8
135.08125	3.3
135.11681	37.3
139.11185	8.1
145.10153	28.8
147.08087	5.0
147.11693	8.9
149.09660	8.2
149.13248	10.5
153.12794	8.6
155.08530	4.2
157.10045	4.5
159.11676	11.1
163.11195	32.8
171.11684	3.5
173.09633	9.6
173.13231	8.0
181.12187	10.8
184.07343	31.1
191.10692	10.0
209.11699	22.8
227.12856	16.4
229.14359	4.1
243.21092	7.7
245.13821	26.5
253.14240	4.0
261.22156	14.2
271.20700	3.3
273.22156	3.4
283.15433	46.8
301.16470	51.5
315.23376	6.9
333.24240	5.9
335.25818	100.0
429.52881	3.7
433.31128	4.0
451.32108	8.3
469.33084	8.8
525.35931	17.5
543.36871	70.9
561.37701	53.9
655.84961	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.0
55.01861	7.2
55.05519	23.0
57.03431	14.2
57.07062	5.7
61.02929	7.7
65.03938	4.1
65.95946	3.5
67.05509	99.7
69.03434	7.0
69.07074	34.8
71.04989	9.2
77.74420	3.2
79.05078	5.4
79.05501	73.0
80.50741	3.1
81.03410	6.5
81.06595	5.4
81.07065	94.4
83.04982	10.1
83.08611	13.8
85.02911	8.9
86.09703	12.2
91.05484	54.5
93.07058	78.1
95.04970	12.8
95.08614	51.8
97.02902	9.9
97.06557	15.4
97.10171	7.1
99.08157	3.6
105.07043	39.1
107.04931	12.3
107.08598	46.5
109.06515	7.0
109.10186	29.0
111.04438	12.9
111.08093	6.3
113.06004	3.8
117.07015	22.6
118.09583	2.8
119.08591	37.9
121.06490	7.9
121.10155	54.5
123.08022	6.4
123.11691	9.3
125.00005	9.0
125.09638	5.3
129.07018	8.7
131.08604	28.6
133.06494	4.3
133.10152	25.9
135.11705	38.3
137.09558	5.2
139.11189	12.5
143.08542	6.8
145.10123	33.4
147.08072	6.6
147.11693	14.6
148.64636	3.1
149.09633	11.8
149.13277	6.1
153.12790	4.2
155.08566	6.5
157.10124	9.0
159.11703	14.8
161.09689	5.8
161.13274	7.3
163.11218	17.2
163.46275	3.0
169.10101	5.6
171.11673	8.2
173.09628	12.6
173.13268	10.5
175.11218	4.9
177.12778	4.5
181.12071	5.9
183.11761	4.9
184.07324	41.8
185.13289	6.3
187.11148	4.2
187.14862	5.5
191.10703	9.2
195.11760	3.4
197.13315	3.6
199.14944	5.9
207.13780	3.2
209.11717	21.5
209.66908	3.2
227.12743	10.7
229.14415	9.0
229.37086	3.2
243.21169	4.1
245.13898	28.3
250.54796	3.7
255.15819	5.1
261.22150	13.6
273.22171	9.7
283.15439	47.2
289.21729	4.3
297.22339	4.1
299.19818	4.1
301.16507	43.7
315.23181	8.9
335.22076	4.7
335.25839	67.3
373.23688	5.1
389.26791	3.5
391.24847	4.8
433.31082	7.4
451.31955	13.0
469.33221	16.8
484.14197	4.0
487.34106	5.5
494.46765	3.8
503.37289	7.0
518.34753	4.4
525.35602	21.6
543.36884	100.0
544.36981	8.1
561.37750	48.0
562.38550	5.3
759.41779	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	758.505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
55.01866	1.4
55.05277	1.2
55.05515	16.4
57.03441	7.0
57.07069	3.4
61.02923	2.3
64.92892	1.0
65.03928	3.4
67.05509	71.4
69.03420	2.1
69.07074	13.9
69.27357	7.4
71.04996	22.0
73.02901	0.9
77.03896	0.8
79.05497	41.3
81.03407	1.4
81.07060	100.0
82.07386	0.9
83.04956	3.9
83.08623	8.5
85.02905	2.6
85.06177	0.6
85.06554	7.4
86.09708	2.3
91.03923	1.0
91.04906	1.0
91.05482	32.2
93.07050	46.1
95.04963	3.4
95.08611	31.1
97.02874	0.9
97.06525	4.8
97.10169	2.6
98.21467	1.5
99.08070	1.4
99.63768	0.9
105.04528	1.2
105.07041	18.8
107.08600	21.3
109.06515	2.1
109.10163	14.2
111.08070	1.9
115.05490	0.8
117.07013	6.4
119.08599	8.5
121.10151	16.1
122.22872	1.0
123.11717	14.4
129.06940	1.6
131.08588	8.5
133.10141	20.3
133.54504	0.9
135.11703	9.4
143.01442	0.8
145.10159	5.1
147.11671	4.3
149.09703	1.0
149.13248	6.4
151.11212	5.5
153.12752	1.4
159.11696	6.8
161.13260	2.4
163.14832	1.1
169.12221	2.1
171.11719	1.0
173.13252	3.0
175.14853	1.7
177.12715	2.9
183.13805	3.3
184.07333	7.4
187.13287	3.9
187.14787	1.2
195.13832	2.4
201.14850	1.2
227.16376	1.4
243.16023	2.9
257.17239	1.5
261.22156	3.2
269.17532	6.2
269.89981	0.8
301.20068	19.4
313.16263	1.0
317.24609	1.5
335.25809	29.5
446.67850	0.9
485.36148	2.1
503.37354	95.0
504.37625	4.1
517.38525	4.5
529.39032	14.9
561.41528	91.7
562.41840	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	758.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.05275	1.3
55.05516	17.7
57.03439	6.9
57.07068	3.0
61.02920	3.8
65.03939	2.2
67.05510	77.2
69.03427	2.1
69.07076	15.6
69.21044	6.3
69.21468	3.2
71.04996	22.6
73.98106	1.0
77.03929	1.2
77.11460	0.9
79.05025	0.9
79.05496	37.4
81.07063	100.0
82.07392	1.0
83.04982	3.1
83.08627	8.0
85.02891	2.0
85.06548	8.7
88.47033	1.1
91.05486	29.2
93.07050	43.6
95.04963	3.7
95.08620	29.1
97.02884	1.9
97.06530	4.5
97.10159	1.9
99.08105	1.4
105.07040	17.6
107.08604	22.5
109.06529	3.1
109.10170	14.0
111.08059	2.0
117.07022	4.9
119.08585	8.5
121.10151	16.0
123.08118	0.9
123.11712	14.3
131.08600	9.1
133.10138	20.3
135.11728	10.3
145.10120	3.9
147.11684	3.8
149.09627	1.0
149.13324	5.7
151.11214	5.6
153.12756	1.2
159.11691	5.8
161.13260	3.2
163.14735	1.6
169.12296	2.2
173.13266	2.6
177.12767	1.8
183.13857	2.6
185.13304	0.9
187.13264	3.2
187.14774	1.1
227.16380	2.3
257.17560	1.2
261.22061	2.5
269.14905	1.0
269.17441	5.9
276.89023	0.9
301.20148	16.0
335.25839	28.4
411.32697	1.1
430.77759	1.0
485.35858	2.4
503.37360	86.9
504.37720	4.9
517.38971	3.9
529.38977	12.6
561.41541	77.8
562.42108	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	759.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	8.8
59.22889	1.0
69.41743	2.1
69.42146	5.9
79.08639	0.9
84.96049	5.5
85.02908	2.6
98.21514	1.8
98.97588	68.9
109.27164	0.9
110.96839	2.1
110.97577	34.3
110.98354	1.9
112.99189	1.0
116.98623	16.9
124.99142	3.3
127.00647	0.9
127.03902	1.8
128.98608	20.8
134.99696	1.4
140.98593	8.4
141.85695	0.9
143.00179	13.4
146.98557	0.9
146.99640	5.1
151.12184	1.0
152.98587	5.8
158.99675	29.4
161.01227	5.3
170.99664	49.1
177.00706	10.7
182.99661	29.9
189.00737	23.0
190.01044	1.1
192.89514	1.0
194.99695	2.0
201.00713	55.5
203.02318	1.2
213.00697	5.8
219.01782	40.5
231.01826	6.1
237.02827	14.1
243.01768	28.2
254.99399	2.3
261.02841	100.0
273.00412	2.7
273.02863	8.7
279.03885	35.6
280.04202	1.2
287.05481	1.8
288.05811	1.9
291.03882	14.8
302.05273	1.4
303.04071	1.6
321.04953	33.7
328.04639	1.3
333.04990	4.6
335.05588	1.1
351.06018	9.6
363.05984	2.0
381.07059	19.3
399.08231	14.3
417.04749	84.5
418.05045	1.8
435.05795	8.8
441.09192	85.4
442.09695	2.1
449.57355	1.1
453.09241	1.4
471.10193	3.4
478.11063	1.1
501.11166	5.1
543.12250	2.4
723.18304	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	759.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	7.2
63.89138	1.1
71.50391	1.5
71.95272	1.1
84.96036	5.1
89.84126	1.1
98.97588	72.0
108.62511	1.1
110.97574	35.9
112.99136	2.1
116.98630	15.0
124.99157	3.1
127.00730	1.2
127.45832	1.0
128.98599	20.7
128.99556	1.1
134.99698	2.2
138.96902	1.1
140.98605	9.8
143.00182	13.1
144.98085	1.8
146.99660	6.3
152.98592	7.1
158.99660	28.6
161.01231	5.2
170.99661	49.9
177.00691	10.1
182.99663	28.2
189.00725	22.7
194.99644	1.6
201.00717	59.3
203.02202	1.5
207.01822	1.7
212.02315	1.1
213.00639	6.8
215.57246	1.2
219.01778	40.7
231.01643	5.2
231.44392	1.1
237.02824	15.3
243.01781	26.0
254.99422	3.4
261.02835	100.0
262.03265	2.2
273.00616	1.2
273.02911	8.2
279.03876	34.3
291.03873	16.5
302.05328	1.5
303.03845	1.1
309.04935	1.4
321.04929	37.5
333.04791	3.9
351.06012	9.3
381.07059	20.1
399.08115	13.5
417.04745	84.9
435.06110	5.6
441.09198	94.4
442.09482	2.0
449.01648	1.2
453.09543	1.8
471.10388	3.2
501.11386	3.7
543.12317	3.0
723.18079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
69.03437	2.7
70.06598	1.4
70.79369	0.9
70.79697	1.3
72.13734	0.7
75.68291	0.7
75.68739	0.8
79.05497	3.6
81.03423	9.3
82.24744	0.7
85.02908	8.0
91.05508	2.2
95.04949	1.1
97.02882	3.4
99.63804	0.9
102.04730	1.1
103.05460	2.9
105.07044	0.9
107.04963	9.6
109.02899	0.9
111.26364	0.7
115.05482	5.1
117.07029	16.7
123.04443	3.2
124.05245	1.5
127.03895	2.6
128.06259	0.9
129.07008	3.3
131.04948	1.4
131.08574	3.0
133.06529	1.2
141.06995	1.2
143.04942	1.5
144.05724	2.7
145.02823	1.0
145.06494	32.3
147.04402	1.2
147.08089	1.4
155.06042	4.5
156.05704	5.9
157.06473	1.9
159.08029	6.5
161.05995	3.0
162.07677	1.0
163.82550	0.7
167.07050	37.4
173.05998	60.6
174.06390	0.9
175.07588	1.8
177.05502	1.0
180.08673	2.8
184.05228	2.0
187.07533	5.3
190.06268	34.6
191.06966	1.9
193.08578	1.7
202.06354	3.8
203.07016	6.7
205.08614	100.0
206.08981	1.8
207.06544	0.8
208.05240	1.5
215.07053	1.1
217.08601	41.5
219.08247	1.4
219.10162	3.5
223.09688	2.2
231.08127	1.0
235.07820	1.1
235.09665	28.7
247.07520	1.6
247.09702	7.7
248.08330	1.7
263.10428	1.1
264.07904	0.8
265.10730	46.8
266.10974	1.2
271.09641	1.8
277.08502	1.0
279.10226	1.3
287.05566	2.4
288.05896	1.6
289.06052	1.1
291.10129	1.5
293.08087	0.9
299.09253	0.9
307.09772	1.4
309.07153	0.8
315.08505	4.2
316.43796	1.0
323.12845	1.7
325.11261	0.8
330.11011	6.5
331.11752	2.7
337.10666	1.1
351.12292	3.4
368.12946	1.1
369.13388	1.3
371.14786	3.2
383.14954	10.3
401.16031	16.7
445.94501	0.9
705.98865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01861	1.4
55.05514	2.0
57.03423	1.5
58.01485	0.4
59.04990	1.2
61.02924	1.1
67.05489	0.6
68.99782	1.6
69.03432	10.6
69.07054	1.1
70.02931	0.5
70.06594	0.7
70.68671	1.1
71.04992	11.7
73.02917	2.0
73.06551	3.9
79.05489	4.1
80.49833	0.4
81.03423	8.6
81.07061	15.0
83.04977	0.9
84.08141	0.5
85.02908	14.7
86.09707	0.5
87.00826	3.0
91.05468	1.7
93.07044	10.8
95.08596	1.8
97.02893	8.3
97.06522	1.1
99.04442	3.8
101.02389	0.6
103.03954	1.0
105.01894	3.3
107.04967	1.0
107.08603	8.4
109.02882	16.2
109.10168	2.3
111.04436	1.8
115.03880	0.4
120.08158	0.4
123.04423	0.9
125.02333	0.8
127.03920	21.2
129.01833	1.4
129.05495	0.8
135.04504	0.5
135.11694	18.3
136.12010	0.5
139.03944	0.5
141.01828	1.7
145.04982	4.9
147.02858	1.4
147.04315	0.4
151.03903	0.8
153.12750	100.0
154.13065	1.3
159.02864	1.7
161.05966	0.6
167.07082	0.5
171.02963	0.6
189.05489	0.6
213.03926	2.4
231.04996	4.5
235.05931	0.6
242.94279	0.4
249.06140	2.3
253.07185	0.6
255.05099	0.6
259.04526	0.6
273.06116	1.4
285.06296	0.5
287.05518	2.7
288.05878	2.0
291.07172	1.4
303.07144	0.8
321.06046	0.5
339.07196	2.4
357.08179	7.4
358.78778	0.5
375.09244	13.3
376.09729	0.6
393.10272	4.9
501.12421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01885	0.3
55.05513	0.9
58.44757	0.2
59.05000	0.7
65.03963	0.3
67.05505	0.5
68.99778	0.4
69.03431	1.5
69.07068	1.1
69.47080	1.6
70.06593	0.6
71.04998	6.0
73.02923	0.2
73.06567	1.3
77.03931	0.5
79.05501	2.0
80.99747	0.2
81.03419	1.6
81.07061	9.2
84.08147	0.5
85.02912	1.9
86.09700	0.3
86.19587	0.2
87.00833	0.5
91.05479	1.3
93.07047	6.0
94.04183	0.4
95.04980	0.7
95.08614	1.3
97.02925	1.0
97.06519	0.5
99.04438	0.4
103.05470	34.6
104.05784	0.4
105.01916	0.4
105.04504	0.2
105.07020	0.7
107.04962	0.7
107.08601	5.5
109.02898	1.9
109.10163	0.9
115.05505	0.2
119.08567	0.3
122.03665	1.1
127.03917	2.1
129.01814	0.2
131.04933	100.0
132.05243	1.5
133.06432	0.3
135.11699	10.2
137.05977	11.0
141.01793	0.3
145.05006	0.5
147.04439	0.5
150.97855	0.3
153.12749	35.5
154.13062	0.4
159.02864	0.3
160.05214	0.2
161.05988	2.0
163.07549	54.4
164.07886	0.9
167.07063	0.4
169.04959	0.3
175.07558	0.8
177.09084	0.4
193.08600	0.6
199.07570	0.8
202.07886	0.3
203.08601	0.5
213.03915	0.3
231.05095	0.4
231.08031	1.2
232.08807	0.4
247.07530	0.3
248.08241	0.3
259.07550	0.9
259.10034	0.2
260.08258	0.6
263.10651	0.5
268.90665	0.2
276.07990	0.5
291.10123	2.0
292.10959	0.2
297.11258	0.4
321.11322	0.3
323.12781	1.7
335.12817	0.3
354.06485	0.2
357.08130	0.3
375.09055	0.4
427.15442	0.5
459.18005	0.9
471.46930	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01855	1.2
55.05513	16.2
57.03447	4.1
57.07064	3.6
61.02922	2.8
65.03940	2.7
67.05507	69.8
69.03420	1.7
69.07072	13.5
70.00373	3.7
71.04999	17.8
73.02905	1.0
79.05494	21.0
81.03428	1.1
81.07059	100.0
82.07413	1.2
83.04982	3.1
83.08620	10.7
85.02916	2.3
85.06551	6.7
86.09686	1.3
89.06058	1.0
91.05489	17.0
93.07050	20.5
93.07639	1.5
95.04956	0.9
95.08610	31.4
97.02934	1.0
97.06543	5.2
97.10161	3.6
99.08091	1.7
105.04504	1.3
105.07040	11.3
107.08591	14.1
109.06516	1.8
109.10160	15.1
111.08086	2.4
117.07050	1.6
119.08577	6.0
121.10150	7.5
123.08052	1.4
123.11703	12.8
125.00017	1.4
125.09663	1.7
131.08554	2.9
133.10136	16.1
133.48474	0.7
135.11694	5.3
135.31392	0.8
137.13278	1.8
139.11157	0.9
145.10217	0.9
147.11708	2.4
149.13258	4.4
151.11174	6.9
153.12767	0.9
159.11732	3.3
161.13258	2.4
163.14812	1.5
169.12187	1.3
175.14812	1.6
177.12805	1.5
183.13913	2.0
184.07362	3.8
187.13321	3.5
187.14830	1.0
195.13800	1.6
204.27563	0.8
204.64780	0.8
227.16409	2.5
257.17401	1.3
263.23706	2.2
269.17468	4.8
301.20105	18.0
302.20166	0.9
323.15866	0.8
337.27380	20.4
338.27814	1.1
487.37854	4.0
505.38910	75.4
506.39273	3.5
509.98553	0.8
513.39355	1.3
519.40198	4.5
531.40302	11.1
532.40381	0.9
563.43085	66.1
564.43207	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	760.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.2
57.07082	30.1
59.05007	0.5
63.00876	0.5
67.05515	3.5
69.07080	4.0
70.10384	1.4
71.08638	28.1
73.02914	1.3
73.06563	10.1
79.05494	1.6
81.07069	4.9
83.08627	4.8
84.25118	0.5
85.10191	17.0
87.04474	11.4
89.06039	100.0
91.05466	1.0
91.07623	1.1
93.07050	1.1
95.08598	1.5
97.10164	5.3
99.11743	2.2
105.07043	0.9
107.07085	1.5
107.08583	0.6
109.10164	1.0
111.11706	3.4
113.06054	0.7
113.13313	1.8
117.09145	10.1
123.11732	0.8
125.13291	1.8
127.14846	1.7
130.08669	2.6
131.07062	2.7
133.08614	54.1
135.10220	1.4
139.14804	1.2
141.16412	1.6
159.10272	0.7
161.11748	3.2
175.09715	1.9
177.09689	1.4
177.11235	23.3
191.37022	0.5
197.22716	1.4
221.13873	4.5
239.14999	0.9
241.25294	2.1
265.16476	1.2
283.17606	1.2
285.27954	5.7
309.19019	0.8
329.30414	3.5
337.27545	0.8
371.22983	0.7
428.96289	0.6
505.38815	1.9
547.33569	1.3
563.43121	2.2
591.81854	0.6
743.54675	2.3
760.58069	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	762.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01875	2.7
55.05515	28.5
57.03438	5.9
57.07078	12.1
60.05057	1.5
61.02931	2.3
62.55822	1.3
67.05511	62.3
69.03427	3.5
69.06726	2.5
69.07072	31.4
69.59651	11.0
71.04990	19.6
71.08618	6.2
79.05498	16.4
81.07062	100.0
82.07402	1.6
83.05000	4.2
83.08624	27.1
85.02883	2.2
85.06555	8.7
85.10210	1.8
86.09730	1.7
91.05484	16.7
93.07051	22.5
95.04990	2.5
95.08617	29.6
97.06527	5.6
97.10176	12.5
98.21517	2.0
103.80308	1.6
105.07053	9.3
107.08601	16.8
109.06523	3.5
109.10173	17.4
111.04433	6.5
111.08050	4.3
111.11675	3.8
117.07008	2.5
119.08583	3.4
121.10145	15.4
123.08054	1.6
123.11720	17.7
125.09706	1.5
127.64255	1.6
131.08585	3.2
133.10139	17.0
135.08084	1.8
135.11723	11.5
137.05986	31.5
145.10120	2.4
147.11694	3.3
149.09648	1.8
149.13289	8.6
151.07504	4.7
151.11194	7.5
159.11681	5.4
159.69302	1.8
161.09659	3.1
161.13333	1.5
163.11104	1.9
163.14793	3.2
177.12779	1.7
183.13792	2.2
187.13332	4.9
195.13725	1.9
203.17961	1.9
231.17215	2.0
247.24190	2.6
249.18549	1.9
269.17548	7.3
277.17960	15.6
301.20132	19.9
320.22189	2.5
339.28983	27.0
399.45972	1.8
489.39066	2.5
507.40512	91.5
508.40903	4.1
521.42078	3.2
533.42065	9.3
565.44659	95.8
566.44714	5.1
589.44641	22.3
621.47302	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	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05501	1.1
57.03440	1.4
61.02930	3.8
65.03945	0.7
67.05509	5.3
69.03432	3.2
69.07069	2.7
70.32834	1.1
70.33237	1.8
71.04983	0.9
73.02921	2.5
79.05502	4.7
81.03426	1.7
81.07061	6.6
83.05015	0.9
83.08619	1.3
85.02920	3.3
91.03973	1.7
91.05492	3.4
92.82191	0.6
93.07051	4.4
95.05032	0.7
95.08606	2.9
97.02887	3.1
97.06516	0.9
97.10174	0.6
98.21473	0.7
99.04462	0.7
101.02410	0.9
105.07046	2.4
107.08608	2.2
109.02923	1.1
109.10178	0.6
111.51013	0.5
117.07046	1.1
119.08627	1.4
121.07421	0.5
121.10184	1.5
127.03901	1.3
131.08574	0.9
133.10124	0.8
135.11694	0.9
138.60620	0.6
139.09636	0.6
149.13306	1.7
157.10153	0.7
159.11732	0.7
165.17732	0.7
185.04294	0.7
191.55084	0.6
195.13623	0.7
235.13130	1.1
243.08473	2.5
248.35817	0.6
270.90277	0.5
329.84464	0.6
333.20508	1.5
453.20984	9.0
524.97839	0.7
551.28284	4.3
664.97424	0.6
665.34607	0.9
763.42407	100.0
764.42859	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	763.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01872	0.7
55.05504	1.1
56.14501	0.5
57.03440	1.5
61.02941	3.3
65.03933	0.7
66.50737	0.5
67.05505	4.2
69.03426	2.7
69.07060	2.1
71.01372	0.6
71.51240	0.8
73.02914	3.3
73.07001	0.6
79.05486	3.7
81.03429	1.5
81.07053	5.9
83.04997	0.8
83.08616	1.8
83.45264	0.6
85.02899	4.1
91.03965	2.0
91.05480	2.5
93.07057	4.7
95.04947	1.0
95.08622	1.2
97.02891	4.0
97.06530	1.1
99.04494	0.9
101.02370	1.3
105.07030	1.7
107.08582	3.1
109.02901	0.9
109.10200	0.6
117.07062	0.6
119.08607	1.2
121.10149	1.5
131.08545	1.0
132.79631	0.6
133.10139	1.5
135.11681	0.7
145.04901	0.6
149.09721	0.6
149.13310	1.7
159.11705	1.3
201.16173	0.5
222.84259	0.5
235.13113	0.7
243.08488	2.7
333.20316	1.2
453.21024	9.7
469.20795	0.7
551.28302	4.1
665.35016	2.3
763.42365	100.0
764.42633	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	763.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05507	1.6
55.62094	0.3
57.03455	2.1
61.02935	6.2
67.05508	4.9
69.03436	3.7
69.07072	0.9
69.18186	3.8
71.01348	0.5
71.04996	2.2
73.02924	4.5
79.05497	3.7
81.03426	1.9
81.07062	7.3
83.04974	0.4
83.08624	0.8
84.90140	0.4
85.02423	0.7
85.02908	6.5
85.06572	0.4
87.04465	0.5
91.03967	3.5
91.05487	3.1
93.07044	4.3
95.08607	3.4
97.02893	5.7
97.06509	0.5
99.04465	1.3
101.02377	1.8
105.07062	1.3
107.08575	2.4
109.02906	1.1
109.10155	1.1
117.07038	0.8
119.08585	1.0
121.10152	1.8
123.11726	0.7
127.03938	1.6
131.08598	1.2
133.10143	1.1
135.11714	1.1
149.13365	0.7
151.11180	0.3
159.11693	0.9
180.12320	0.4
183.13739	0.4
243.08415	2.6
243.23193	0.5
257.17480	0.4
267.15793	1.6
290.57858	0.6
335.26086	0.6
382.32019	0.4
485.23547	4.1
519.29254	7.7
606.26044	0.4
619.47089	0.4
763.46051	100.0
764.46161	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	763.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.05518	1.2
57.03435	2.4
61.02937	5.7
64.68729	0.5
67.05509	6.6
69.03439	3.5
69.07084	1.1
69.52065	3.8
71.04999	2.3
73.02928	4.0
75.28150	0.5
79.05499	3.7
81.03436	1.8
81.07056	7.6
83.04989	0.5
83.08621	1.3
85.02916	6.0
85.06577	0.6
87.04475	0.8
91.03941	3.3
91.05483	2.9
93.07059	4.2
95.08615	3.9
97.02910	4.5
97.06559	0.7
99.04491	1.2
101.02389	2.5
105.07005	2.5
107.08601	2.4
109.02914	0.8
109.10203	2.2
111.87173	0.5
119.08632	0.6
121.10193	1.3
123.11741	1.6
127.03995	1.3
131.08600	0.9
133.10173	2.0
135.11659	0.8
145.10216	0.9
149.09532	0.6
183.13866	0.8
196.62683	0.5
203.05383	0.7
243.08574	2.1
257.17838	0.6
267.15833	1.4
297.17416	0.6
335.26028	0.6
386.59320	0.5
485.23694	6.6
504.30600	0.6
519.29462	7.4
763.46191	100.0
764.46289	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	764.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
59.45226	0.9
60.12288	0.9
65.03933	2.9
67.05496	1.5
69.03423	3.5
70.06577	2.8
70.52320	1.9
70.52660	1.7
79.05501	3.6
81.03416	4.2
81.07073	1.5
84.08153	1.4
85.02912	6.8
86.09704	2.2
91.05470	7.2
93.07058	1.5
94.04213	2.4
95.04954	4.0
97.02947	1.4
103.05468	19.1
105.03368	1.6
105.07038	3.0
107.04948	8.3
109.02879	1.3
109.06516	1.9
110.03699	1.3
111.04431	2.5
115.05450	4.5
117.07013	4.4
118.04168	3.7
119.04917	6.3
121.06472	2.6
122.03645	4.8
123.04442	3.0
125.02351	1.1
125.06018	3.1
127.03933	2.7
129.07024	2.3
131.04941	34.6
131.08540	1.3
133.02856	6.2
133.06473	6.2
135.08046	1.8
137.05981	75.4
138.06311	1.5
141.07074	1.0
143.04932	3.2
144.05653	1.7
145.06497	5.7
146.03651	1.4
147.04433	8.0
147.08014	1.5
148.05180	8.5
149.06017	2.9
151.03915	81.5
151.05014	5.8
152.22252	1.1
153.05486	4.4
153.12750	3.6
157.06534	2.2
159.07991	2.2
160.05235	2.1
161.05965	7.4
163.03940	1.6
163.07538	24.6
165.05460	5.3
167.07077	12.8
171.04448	1.4
173.05992	4.9
175.07550	9.8
176.04724	2.7
177.05452	5.7
177.09077	1.6
179.07074	7.9
181.04962	23.6
183.06590	1.5
187.07573	5.4
189.09109	3.1
190.06303	1.1
191.07036	100.0
192.07507	2.4
193.05014	1.5
193.08716	2.3
199.07564	1.7
203.07013	5.3
205.08514	5.8
207.06430	2.4
207.09993	1.3
209.08092	4.5
217.08543	2.9
219.10135	2.4
233.08101	3.7
235.07568	2.4
235.09682	5.3
235.53377	1.5
237.09023	2.0
238.09721	1.2
245.08026	1.3
249.09048	1.3
253.08658	1.2
261.09262	1.0
262.06216	1.7
263.06607	2.3
263.09158	22.7
265.08655	2.7
267.10120	1.8
271.62369	1.0
276.07901	1.4
277.08652	3.1
278.09235	1.2
279.10217	1.3
281.11682	1.4
287.05380	1.6
291.10391	1.3
295.09760	2.6
299.12915	1.6
307.09726	2.6
309.11075	1.5
325.10739	2.8
327.12317	3.8
329.13901	2.0
337.10715	4.3
339.12424	2.6
341.13791	1.3
351.12338	3.5
355.11755	11.4
357.13416	2.6
359.14862	2.5
369.13385	9.6
383.14685	2.8
387.14395	54.0
388.15106	1.4
422.13812	1.3
498.05545	1.2
551.40790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
59.45226	0.9
60.12288	0.9
65.03933	2.9
67.05496	1.5
69.03423	3.5
70.06577	2.8
70.52320	1.9
70.52660	1.7
79.05501	3.6
81.03416	4.2
81.07073	1.5
84.08153	1.4
85.02912	6.8
86.09704	2.2
91.05470	7.2
93.07058	1.5
94.04213	2.4
95.04954	4.0
97.02947	1.4
103.05468	19.1
105.03368	1.6
105.07038	3.0
107.04948	8.3
109.02879	1.3
109.06516	1.9
110.03699	1.3
111.04431	2.5
115.05450	4.5
117.07013	4.4
118.04168	3.7
119.04917	6.3
121.06472	2.6
122.03645	4.8
123.04442	3.0
125.02351	1.1
125.06018	3.1
127.03933	2.7
129.07024	2.3
131.04941	34.6
131.08540	1.3
133.02856	6.2
133.06473	6.2
135.08046	1.8
137.05981	75.4
138.06311	1.5
141.07074	1.0
143.04932	3.2
144.05653	1.7
145.06497	5.7
146.03651	1.4
147.04433	8.0
147.08014	1.5
148.05180	8.5
149.06017	2.9
151.03915	81.5
151.05014	5.8
152.22252	1.1
153.05486	4.4
153.12750	3.6
157.06534	2.2
159.07991	2.2
160.05235	2.1
161.05965	7.4
163.03940	1.6
163.07538	24.6
165.05460	5.3
167.07077	12.8
171.04448	1.4
173.05992	4.9
175.07550	9.8
176.04724	2.7
177.05452	5.7
177.09077	1.6
179.07074	7.9
181.04962	23.6
183.06590	1.5
187.07573	5.4
189.09109	3.1
190.06303	1.1
191.07036	100.0
192.07507	2.4
193.05014	1.5
193.08716	2.3
199.07564	1.7
203.07013	5.3
205.08514	5.8
207.06430	2.4
207.09993	1.3
209.08092	4.5
217.08543	2.9
219.10135	2.4
233.08101	3.7
235.07568	2.4
235.09682	5.3
235.53377	1.5
237.09023	2.0
238.09721	1.2
245.08026	1.3
249.09048	1.3
253.08658	1.2
261.09262	1.0
262.06216	1.7
263.06607	2.3
263.09158	22.7
265.08655	2.7
267.10120	1.8
271.62369	1.0
276.07901	1.4
277.08652	3.1
278.09235	1.2
279.10217	1.3
281.11682	1.4
287.05380	1.6
291.10391	1.3
295.09760	2.6
299.12915	1.6
307.09726	2.6
309.11075	1.5
325.10739	2.8
327.12317	3.8
329.13901	2.0
337.10715	4.3
339.12424	2.6
341.13791	1.3
351.12338	3.5
355.11755	11.4
357.13416	2.6
359.14862	2.5
369.13385	9.6
383.14685	2.8
387.14395	54.0
388.15106	1.4
422.13812	1.3
498.05545	1.2
551.40790	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
55.05505	2.4
57.03424	2.4
59.04997	2.4
61.02903	1.5
62.56431	0.6
67.05500	2.5
68.99806	3.5
69.03134	0.8
69.03431	8.4
69.07073	4.1
70.06598	1.4
71.04996	16.1
71.50721	0.9
71.51131	1.0
73.02928	0.9
73.06560	3.3
75.04461	0.7
79.05140	0.7
79.05503	7.4
79.30906	0.6
81.03421	11.0
81.07062	24.7
83.04981	1.7
84.08175	0.8
85.02911	17.0
85.73797	0.7
86.03223	0.7
87.00845	3.9
91.05476	4.4
93.07049	18.6
95.01334	1.4
95.04983	1.7
95.08617	4.1
95.22436	0.8
97.02905	10.0
97.06548	2.6
99.04456	4.0
103.03963	2.3
105.01875	2.4
105.07052	2.5
107.04957	7.1
107.08607	13.2
109.02886	20.0
109.10138	3.5
110.03677	3.4
111.04454	3.3
111.08092	1.1
119.08587	1.4
121.06541	0.8
123.04430	0.9
125.02386	0.8
125.06003	13.6
127.03927	19.9
129.01825	3.8
129.25778	0.7
131.04913	1.0
135.04456	1.2
135.08127	0.7
135.10695	1.5
135.11700	23.7
137.05965	3.0
137.09663	0.8
139.03918	2.7
141.01842	2.8
145.04964	4.0
147.02870	2.7
147.04372	1.4
150.48891	0.8
151.03914	2.3
152.04715	1.0
153.05475	29.5
153.12753	100.0
154.06267	9.0
154.13086	2.3
154.39276	0.7
155.07031	0.9
159.02907	1.4
163.03949	1.2
166.06226	0.9
167.07011	2.1
169.04982	0.8
170.05751	2.3
171.02881	2.3
177.05505	1.8
178.06241	2.6
182.05731	1.3
183.06487	0.8
185.08107	57.3
186.08418	1.3
187.06018	0.9
189.03954	2.4
191.07071	0.9
193.04961	1.2
194.05750	1.4
195.02951	0.8
197.08142	2.8
206.05774	0.8
207.06613	1.1
209.08089	11.4
213.03995	2.4
216.07816	0.9
217.05098	1.4
219.06451	0.9
220.07307	1.0
221.08133	4.5
223.09647	0.8
227.09140	8.1
231.05002	3.1
236.06786	1.1
247.09732	2.2
251.09140	9.3
255.05231	0.8
263.09167	1.8
273.05801	1.5
275.09235	7.4
291.06967	0.8
293.10297	7.9
315.07077	1.4
317.10217	5.1
333.08334	4.0
333.11752	0.8
335.11282	0.9
339.07004	1.3
357.08145	2.9
359.11261	1.7
375.09427	1.8
383.11456	0.9
487.12558	1.0
505.13397	3.5
523.14661	3.7
541.15656	3.1
566.27014	0.7
584.64105	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.4
57.03442	2.4
61.02934	5.4
63.99585	0.6
65.03947	0.7
67.05511	5.8
69.03444	2.7
69.07077	2.3
69.62238	1.1
69.62642	3.1
71.05012	3.0
73.02908	3.8
79.05510	2.2
81.03426	1.5
81.07065	8.6
83.08646	1.3
91.03969	3.6
91.05492	2.6
93.07067	3.3
95.08633	3.6
97.02908	4.8
97.06551	0.9
99.04508	0.6
101.02405	2.0
105.07037	1.5
107.08617	1.9
109.02913	0.9
109.10176	1.6
119.08637	1.0
121.10161	0.8
123.11725	1.3
127.03938	1.9
131.08621	1.0
133.10179	2.0
135.11726	1.1
149.13347	1.0
151.11240	1.0
184.07434	0.9
199.54269	0.6
201.02966	0.7
243.08530	2.4
265.34891	0.7
267.15878	1.6
337.27527	1.1
485.23508	8.7
486.24567	0.7
521.31000	5.3
765.47675	100.0
766.48267	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	768.5615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.1
55.72094	2.7
57.03440	13.6
57.07073	6.3
61.02916	3.4
67.05510	60.0
69.07074	30.5
69.50973	21.2
71.08624	3.6
75.61055	2.8
79.05482	34.2
80.49557	2.6
81.07060	50.3
83.08636	18.5
91.05463	14.4
93.07045	37.5
95.04980	4.6
95.08609	45.8
97.06565	3.3
97.10165	10.1
105.07043	9.8
107.08591	23.0
109.10157	19.7
109.10804	4.1
117.06979	4.0
119.08598	5.9
121.10155	25.5
123.11711	8.5
125.09688	3.3
127.98650	2.7
131.08604	6.1
133.10081	7.6
135.11661	14.2
137.13249	5.0
145.10112	4.3
146.54080	3.0
147.11766	5.9
149.13246	9.7
159.11678	3.4
159.65288	3.0
160.86349	2.9
161.13191	5.4
163.14868	6.6
173.13336	3.8
207.60530	2.7
237.22003	5.1
243.21030	6.6
261.22141	18.8
272.29645	3.5
275.58807	3.2
290.74973	3.0
311.25793	100.0
317.24591	6.0
335.25839	76.9
336.26074	3.8
337.27484	4.2
571.47198	39.7
589.47906	8.4
611.37219	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	771.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.7
57.03434	5.2
57.07077	1.9
61.02657	1.0
61.02935	14.4
65.03948	1.7
67.05508	21.8
69.03432	8.1
69.07073	7.6
71.04990	1.5
71.08669	1.0
73.02921	6.8
79.05499	15.4
81.03413	3.6
81.07068	22.9
83.05000	1.7
83.08627	5.0
83.66161	0.9
85.02512	1.1
85.02915	12.8
85.06528	2.0
87.93686	0.9
91.03954	6.3
91.05495	15.1
93.07056	16.0
95.04958	2.6
95.08615	21.7
97.02918	10.4
97.06470	2.3
97.10166	2.3
99.08040	1.1
101.02391	1.7
102.05566	1.3
105.07040	17.9
107.08614	10.6
109.02805	1.2
109.06521	1.1
109.10156	7.6
115.03970	1.1
117.07021	9.1
119.08588	14.3
121.10166	6.5
123.07957	1.0
123.11732	2.8
125.09629	1.7
127.03897	3.1
128.06230	2.9
129.07022	10.6
130.07858	1.2
131.08572	12.5
133.10156	8.3
135.11685	4.4
141.06972	4.9
142.07788	2.9
143.08566	10.9
145.10129	12.0
147.11681	6.0
149.09608	1.3
149.13298	2.2
153.07021	2.3
154.07796	1.6
155.08554	9.8
156.09305	1.8
157.10135	11.3
159.11694	9.1
161.13290	3.1
167.08571	4.0
168.09361	1.6
169.10138	11.2
170.10873	1.8
171.11743	10.3
173.13274	4.3
175.14841	1.5
179.08543	2.1
180.09270	1.6
181.10159	6.6
182.10876	1.7
183.11682	10.7
185.13283	8.0
187.14838	4.2
189.16408	1.3
193.10170	3.6
195.11703	5.7
197.13290	8.4
199.14911	5.7
201.16440	2.4
204.93660	1.2
205.10129	1.5
207.11739	3.0
209.13219	6.8
211.14803	7.0
213.16400	2.5
219.11803	1.4
221.13268	3.3
223.14771	5.5
225.16422	3.5
227.17946	2.3
229.19569	1.1
234.14125	1.0
235.14920	2.3
237.16338	3.0
239.17865	1.5
241.19661	1.5
249.16449	2.1
251.18015	2.0
265.19467	1.6
267.17453	1.0
273.72485	1.0
279.17114	1.0
293.22098	1.1
311.23453	1.2
323.23734	1.4
335.26004	1.5
351.26743	1.5
353.24744	1.5
449.34787	1.1
517.40338	5.3
535.41437	2.6
539.37354	2.2
541.38428	2.0
569.32068	1.4
591.43597	5.5
607.43518	2.2
609.45197	100.0
610.45355	6.7
630.44855	1.1
681.46576	1.4
753.49225	1.6
771.50696	19.9
772.50513	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2137
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01861	0.2
55.05504	0.2
57.03438	1.6
59.04980	0.2
60.80823	0.1
61.02893	0.4
62.74771	0.1
64.28836	0.1
68.99768	0.4
69.03431	1.2
71.05000	7.3
71.05364	0.3
73.02906	0.3
75.04454	0.3
79.23901	0.1
81.03431	0.6
81.03799	0.1
83.04943	0.4
85.02910	11.2
87.04440	0.3
93.03374	0.3
95.04948	0.2
97.02885	1.0
99.04449	0.2
99.35388	0.1
107.04896	0.1
109.02853	0.5
111.00807	0.8
111.04390	0.4
121.02901	0.8
127.03928	0.8
129.05487	2.7
135.04425	0.1
137.02344	2.2
145.04950	0.6
147.06526	0.5
149.02318	0.4
153.00748	0.2
153.01842	2.4
163.03867	0.4
165.01837	1.6
166.02629	0.3
173.05986	0.3
183.02898	0.5
183.04317	0.2
187.03859	0.2
195.02843	0.2
201.05498	1.1
219.02953	0.2
219.06580	0.3
229.04976	3.2
246.05257	0.2
247.06017	0.7
257.04471	2.8
274.04819	0.6
275.05435	0.2
285.04031	1.1
286.04584	0.1
287.05566	1.2
303.05008	100.0
304.05325	2.6
315.04935	0.1
329.06601	0.1
345.06027	0.4
363.50079	0.1
376.39203	0.1
449.10614	0.2
465.10333	20.8
466.10406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2137
Annotation	Quercetin 3-glucosyl-(1->6)-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
54.04308	0.4
55.01843	0.5
55.05503	0.7
57.03438	1.9
61.02938	1.9
68.99792	0.5
69.03445	3.2
70.60032	0.9
70.60362	0.7
71.04996	8.6
73.02896	0.6
75.04464	1.2
80.00010	0.4
81.03410	1.1
83.04992	4.7
85.02908	22.7
86.09692	0.8
87.04427	0.6
91.03961	0.9
97.02906	4.6
98.20831	0.4
99.04472	0.7
103.03927	0.5
109.02857	1.2
111.00804	1.2
111.04478	2.4
121.02876	1.7
127.03925	3.5
129.05481	4.6
137.02365	2.5
145.04979	4.3
147.04382	1.3
147.06502	2.0
149.02411	0.5
153.01848	3.5
163.03969	0.6
163.06055	1.1
165.01863	1.7
177.05450	0.7
183.02951	1.0
195.03015	0.5
201.05495	1.0
205.04793	0.5
213.05524	0.7
229.04950	3.5
247.05988	0.8
255.08655	0.5
257.04465	2.6
274.04678	0.6
285.04062	1.0
287.05511	20.9
288.05991	0.8
299.05432	2.2
300.05936	0.7
303.05005	100.0
304.05402	2.6
311.05524	0.9
315.05203	1.1
325.07166	0.7
329.06580	5.1
345.06058	2.0
353.06656	0.9
395.07086	0.4
413.08807	0.8
429.07462	0.6
431.09760	1.1
449.10812	1.2
465.10074	1.4
611.15759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.3
55.05513	33.9
57.03437	21.0
57.07067	5.3
61.02942	5.9
65.03936	7.5
67.05509	92.2
69.03432	22.7
69.07076	27.4
71.04980	9.4
79.05498	79.6
81.03426	19.0
81.07059	100.0
83.04984	12.4
83.08627	15.9
85.02909	14.5
85.06561	5.3
86.09696	12.2
91.03963	3.2
91.05479	65.2
93.07052	96.7
95.04955	11.8
95.08612	74.2
95.51115	3.2
97.02900	16.7
97.06525	12.2
97.10190	7.9
99.04474	5.6
103.03943	4.4
105.07047	54.4
107.05032	4.1
107.08606	44.6
109.02856	4.3
109.06554	6.4
109.10168	26.3
111.08067	5.6
116.06182	3.8
117.07030	22.4
119.08595	50.3
121.06448	4.6
121.10162	42.5
123.08095	3.9
123.11711	12.9
125.00016	9.3
125.09669	3.2
127.03945	8.9
128.06233	3.9
129.05481	6.8
129.07050	7.0
131.08569	30.8
133.06508	4.1
133.10149	35.4
135.08005	5.1
135.11716	27.9
137.09639	5.0
141.06992	4.1
143.08562	13.9
145.10117	32.3
147.11713	32.3
149.13287	13.2
151.11150	5.4
155.08589	5.8
157.10133	14.1
159.11687	26.5
161.13237	14.9
163.11255	5.1
163.14824	6.6
169.10135	5.3
171.11684	14.0
173.13300	15.4
175.11226	5.7
175.14870	7.7
181.10188	4.5
183.11708	8.7
184.07347	43.6
185.07774	5.2
185.13272	10.2
187.14856	8.6
196.46338	3.4
197.13235	6.6
199.14876	9.6
201.16536	5.6
231.21063	3.5
241.19502	8.8
259.20590	31.2
261.22147	8.1
275.20007	7.1
277.21695	22.9
287.52014	3.2
303.23206	3.9
333.24396	15.7
334.54050	3.4
335.25851	43.7
337.27505	4.0
351.25290	13.9
519.41901	3.3
611.46826	49.8
685.28394	3.9
755.49738	4.1
773.51489	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.9
55.05516	34.5
57.03429	12.2
57.07080	6.0
61.02918	14.3
67.05510	100.0
69.03420	10.7
69.07074	32.3
71.04979	4.5
71.51798	4.7
73.02895	6.5
79.05497	70.2
81.03421	7.8
81.07060	73.4
83.04965	5.3
83.08629	11.8
85.02915	9.6
85.06581	3.1
91.03957	6.5
91.05487	69.1
93.07053	79.5
95.04971	12.6
95.08611	61.1
97.02895	11.1
97.06535	3.2
97.10141	4.7
105.07047	58.9
107.08590	38.0
109.02888	4.1
109.06503	5.2
109.10159	28.2
111.08082	6.5
115.05432	4.3
117.07030	20.2
119.08589	53.2
121.10144	35.4
123.08020	7.5
123.11773	5.3
123.39082	3.2
128.06218	6.9
129.07004	13.3
131.08583	40.7
133.10144	31.5
135.11690	23.3
142.07774	4.1
143.08574	19.2
145.10115	34.0
147.11693	36.0
149.09618	3.7
149.13263	11.8
155.08525	8.7
157.10199	22.5
159.11734	21.7
161.13255	24.2
163.14815	7.9
169.10075	7.1
171.11740	18.0
173.13297	17.8
175.14810	10.3
181.15620	3.8
183.11664	12.8
184.07343	3.9
185.13246	16.1
187.14819	7.0
191.14185	3.8
197.13327	6.2
199.14867	9.9
201.16563	5.3
213.16347	3.7
223.14781	5.3
225.16354	3.6
231.21004	5.6
241.19504	11.0
243.21147	4.2
259.20648	40.3
261.22052	8.7
301.21576	4.0
333.24298	33.3
335.25784	55.1
337.27365	4.5
385.23526	6.3
593.45251	10.8
594.96960	4.0
609.44727	7.5
611.46698	93.7
612.46844	4.7
701.47772	8.5
719.48401	4.9
737.49854	4.8
755.50214	5.8
773.51514	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	773.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.6
55.05270	3.0
55.05511	34.1
57.03441	15.1
57.07073	6.5
61.02925	17.3
65.03924	3.1
65.12910	2.5
67.05510	95.1
69.03436	10.4
69.07078	24.7
71.01438	5.4
71.04984	5.8
71.08623	2.8
73.02920	6.2
79.05496	77.4
81.03439	6.4
81.07063	90.4
83.04987	5.7
83.08636	14.8
85.02901	15.2
85.06538	4.4
91.03961	6.7
91.05482	75.4
93.07050	87.4
95.04955	10.7
95.08612	72.9
95.09075	1.8
97.02892	12.8
97.06535	6.7
97.93440	2.8
99.08076	4.8
103.05521	4.1
105.04523	3.6
105.07037	70.3
107.08592	50.3
109.06525	3.1
109.10172	31.1
111.08064	4.1
111.30383	2.7
115.05449	5.4
117.07014	27.3
117.40014	2.5
119.08589	68.1
121.10139	44.8
123.08115	4.3
123.11703	5.1
128.06276	4.8
128.77864	2.9
128.82690	2.4
129.07021	14.5
130.07823	2.8
131.08575	37.7
133.10144	48.7
135.08067	3.2
135.11707	27.1
137.09639	3.8
137.13269	3.0
137.69923	2.9
141.06995	5.6
142.07770	3.7
143.08557	20.5
143.55904	2.8
145.06412	3.1
145.10124	31.5
147.11703	37.6
149.09625	4.3
149.13239	17.8
151.11154	3.5
155.08574	6.9
157.10138	22.3
159.11719	36.1
161.09683	3.4
161.13277	29.3
163.11116	3.9
163.14874	6.3
167.08612	3.1
169.10130	11.0
171.11687	20.4
173.13269	26.8
175.11299	2.8
175.14839	18.7
177.12918	3.2
181.10146	6.7
183.11714	7.5
185.13271	19.1
187.14859	7.6
197.13315	8.7
199.14851	10.8
201.16429	2.9
203.14140	3.5
209.13290	3.5
211.14864	7.7
213.16414	4.8
214.02498	2.7
223.14806	2.9
224.99431	2.7
229.19469	4.1
231.21138	5.5
239.17908	3.3
241.19580	24.6
243.21191	4.0
257.19077	7.2
259.20557	53.7
261.22095	9.8
269.19052	3.6
271.20630	4.7
273.22217	2.6
275.20056	3.8
277.21835	3.8
301.21902	3.8
333.24243	33.8
335.25818	88.5
337.27417	5.6
367.22537	4.1
385.23260	3.5
409.30780	3.3
459.27643	3.5
537.42737	3.3
593.45453	11.6
609.45343	3.8
611.46735	100.0
612.46790	6.5
701.47699	4.1
719.48267	6.3
737.48883	5.5
755.50726	7.0
773.51825	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	774.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
55.05516	25.0
57.03444	22.4
57.07072	4.5
58.64641	2.0
65.03926	2.9
65.78999	1.9
67.05510	64.8
69.03416	2.3
69.07079	13.8
71.05022	3.7
72.58183	1.9
79.05497	43.9
81.03425	100.0
81.07060	70.1
83.04984	6.3
83.08624	23.1
85.02859	2.5
89.18562	1.8
91.05479	37.6
92.26882	2.0
93.07054	59.8
95.04974	26.4
95.08613	46.9
97.02877	4.9
97.06519	4.9
97.10178	7.3
99.08069	2.7
105.07041	28.1
107.04974	7.9
107.08591	27.9
109.06541	4.8
109.10167	20.0
111.04469	3.7
111.08092	6.1
117.07032	7.9
119.08578	22.5
121.06537	5.0
121.10159	25.1
123.04408	3.4
123.08065	2.8
123.11736	6.1
125.09614	4.3
129.06993	9.4
131.08585	19.2
133.06477	3.2
133.10141	14.6
135.08037	3.4
135.11711	15.8
137.09604	2.4
141.07101	2.2
142.07912	2.8
143.08571	4.2
145.10117	9.9
147.08047	2.8
147.11713	13.8
149.09636	5.2
149.13251	8.7
151.18970	2.1
157.10152	14.6
159.11697	9.2
161.13289	4.1
163.11156	4.6
163.14783	3.7
165.12840	4.4
173.13281	8.5
175.11176	9.1
175.14929	2.3
184.07370	2.4
187.14856	2.6
189.11275	2.7
193.12221	19.7
201.16339	3.5
227.12788	6.1
235.13234	2.6
243.15938	2.2
243.21069	5.0
247.17049	2.3
261.22174	16.7
261.24710	3.0
267.15945	99.7
279.23184	2.4
301.25266	8.2
309.16940	2.2
317.24930	3.1
335.25830	96.1
336.26208	3.3
435.32639	4.9
453.33777	8.9
471.34576	5.7
527.37384	59.6
528.37933	3.1
545.38434	46.8
546.38641	2.9
569.38257	5.1
577.40021	2.7
727.35706	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.594
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.6
55.81993	1.2
57.07079	34.2
58.28064	1.4
67.05504	7.2
69.03432	2.4
69.07068	7.1
71.08640	27.2
71.28550	1.2
71.52328	1.3
73.02917	2.0
73.06564	9.7
79.05495	3.8
81.07079	6.7
83.08632	7.9
85.10189	16.9
87.04467	12.2
89.06038	100.0
90.06401	1.4
91.05467	3.3
93.07037	4.2
95.08608	5.0
96.08881	1.3
97.10172	5.3
99.11731	3.3
105.07051	4.3
105.80731	1.3
107.08601	3.0
109.10136	3.6
111.11745	3.8
117.07077	1.7
117.09144	8.0
119.08627	1.8
121.10152	1.7
123.24580	1.3
127.14841	1.6
130.08643	3.2
131.07028	2.6
131.08562	2.0
133.08611	54.2
133.10135	2.8
135.11705	2.0
143.08569	1.7
145.10133	1.7
161.11829	1.6
161.13194	2.5
175.09604	2.2
177.11224	19.1
184.07343	4.2
211.24255	2.2
213.16351	1.3
221.13831	3.5
283.17535	1.7
299.29449	4.8
308.29489	3.1
332.81268	1.4
337.27292	1.8
343.32214	2.9
366.28610	1.6
432.83282	1.7
443.35001	1.4
612.46960	2.4
712.19226	1.5
737.01453	1.5
757.57050	1.6
774.50189	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	4.4
60.95425	3.1
69.03426	16.0
71.50220	5.9
72.93791	4.7
73.02923	4.3
81.03439	5.9
83.43886	3.2
85.02907	43.3
93.20705	2.8
95.73272	2.9
96.02377	3.3
97.02899	24.7
98.97617	3.9
99.04457	4.9
100.18860	3.1
109.02878	5.7
127.03920	21.0
132.95833	39.7
144.95851	9.9
145.04936	7.2
147.04413	7.3
150.92473	26.3
150.97000	5.7
158.97452	14.4
162.96950	5.0
166.96631	3.8
168.93518	14.1
168.95866	3.7
170.97400	16.1
174.96893	16.0
180.93507	12.4
186.96913	29.2
188.98480	5.3
192.93529	3.7
198.94618	10.4
198.96919	24.4
204.93689	3.3
204.98006	7.8
210.94598	9.0
210.96808	7.4
216.97968	24.7
222.97002	3.8
228.95685	4.2
228.97858	4.3
232.03419	4.0
234.98978	50.9
247.78305	3.6
252.95638	56.7
269.96994	7.5
270.96652	61.5
277.00058	100.0
289.00085	10.6
307.01074	35.7
337.02271	19.2
343.02328	4.2
384.23404	3.3
397.04297	67.1
432.02649	4.3
433.02011	67.1
433.07870	6.7
455.11151	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	775.536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	22.4
56.02234	4.7
57.03436	11.3
57.07059	6.1
60.31159	4.5
61.79668	4.7
65.10572	4.1
67.05512	100.0
69.03423	13.0
69.07081	26.1
70.72245	6.4
70.72591	9.3
71.04996	9.0
79.05073	6.0
79.05499	72.7
81.03421	9.6
81.07063	91.7
83.04976	7.1
83.08611	8.8
91.05486	46.6
93.07057	65.8
95.04969	10.9
95.08607	76.2
97.02879	9.0
97.06549	9.3
97.10153	5.2
99.08012	4.7
101.43340	4.1
102.62862	4.5
103.50761	4.2
105.07038	39.3
107.08601	45.8
109.06499	8.3
109.10173	26.8
111.08086	5.7
117.07027	18.8
119.08594	32.5
121.10167	28.0
122.16934	4.3
129.06941	7.7
131.08578	33.9
133.10158	25.0
135.11714	17.0
137.13261	4.8
143.08597	8.9
145.10133	19.5
147.08067	6.3
147.11700	16.6
149.09581	4.8
149.13263	15.9
157.10078	6.3
159.08012	4.6
159.11723	19.5
161.13248	12.7
163.11198	4.3
163.14825	5.7
171.08066	4.4
173.13304	6.8
175.14874	6.7
184.07330	13.2
185.13258	9.3
187.11147	5.6
197.13310	4.5
243.21155	6.6
249.18709	4.6
251.08754	5.0
259.20645	7.8
261.22098	14.5
315.23114	5.2
335.25797	94.5
341.08401	5.3
345.24350	5.6
369.24365	9.5
387.25323	5.9
438.20688	5.1
479.30359	7.3
595.47327	5.5
613.48334	14.3
775.58136	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	776.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05504	2.9
57.03436	1.6
57.07063	0.8
59.04992	1.7
60.43803	0.6
61.02603	0.7
61.02914	2.5
65.03935	1.7
67.05491	1.5
68.99791	3.1
69.03434	11.7
69.07062	2.5
70.06579	2.3
70.69970	1.6
70.70331	1.2
71.01333	0.9
71.04994	14.7
72.08123	1.1
73.02914	1.2
73.06543	4.2
75.66370	0.6
79.05491	7.4
80.22649	0.6
81.03421	18.3
81.07063	22.4
83.04951	0.9
84.08141	0.8
85.02908	21.3
86.09718	0.7
87.00830	4.6
91.03951	0.8
91.05487	22.6
92.05840	0.7
93.07050	17.2
95.04958	1.8
95.08599	2.5
97.02898	11.4
97.06528	2.1
99.04430	5.0
103.03935	1.0
103.05486	1.2
105.01858	3.0
105.07044	3.6
106.06531	1.8
107.04931	3.1
107.08597	11.0
109.02886	24.9
109.10158	2.3
111.04451	3.1
111.08046	1.1
115.05453	1.4
119.04955	26.2
120.08123	1.3
123.04424	0.9
127.03922	28.0
129.01880	3.2
129.10251	1.1
133.06493	8.0
135.04417	1.0
135.11700	20.1
136.07629	0.8
137.05940	4.2
139.03908	0.8
141.01839	4.9
143.04951	0.8
145.04956	5.6
145.06477	1.7
147.04416	100.0
148.04791	1.8
149.02313	0.9
151.03886	2.0
153.05469	1.6
153.12755	76.6
154.13048	1.8
159.02922	2.9
161.05989	6.8
163.03912	6.8
165.05476	0.8
167.07040	4.8
168.07364	0.9
169.04927	1.0
171.02855	1.0
171.04337	0.8
173.05994	1.4
175.03973	1.1
179.07039	85.7
180.07382	1.7
181.04950	1.5
185.06081	0.8
189.03944	1.0
189.05476	1.9
191.06979	3.3
198.64082	0.9
203.07019	2.6
207.06552	2.3
207.09293	0.7
207.93060	0.8
213.03847	4.2
217.05057	1.0
219.06464	0.8
221.08043	5.2
223.07729	0.8
231.04967	6.4
231.06946	0.8
233.08130	2.0
235.06120	0.8
239.06866	0.7
245.08113	2.0
249.05966	1.0
257.08142	1.4
259.09698	1.0
269.08194	4.1
273.06091	2.6
275.09085	0.7
285.06265	0.8
285.11145	1.1
286.11691	0.9
287.09186	5.0
291.07245	1.2
303.07498	0.8
305.10187	1.2
315.07062	1.1
333.08228	1.7
339.07242	1.8
357.08359	3.9
357.12259	1.0
375.09082	5.2
499.12451	0.9
516.03961	0.8
517.13208	2.0
535.14563	3.6
602.31604	0.7
641.53888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5379
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
54.76172	0.2
55.05518	0.3
55.80861	0.2
56.05038	0.9
57.02785	0.2
58.06606	0.3
60.08169	6.9
67.05497	0.3
70.06599	0.4
70.91486	0.5
71.07375	4.6
79.05500	0.4
81.07068	0.4
86.09711	34.4
87.10056	0.3
88.70898	0.2
93.07032	0.5
95.08607	0.5
98.98478	4.7
104.10748	2.6
107.08602	0.4
115.05020	0.3
116.07069	0.3
117.26151	0.2
119.08575	0.3
125.00013	24.1
128.80579	0.2
145.10152	0.3
151.07590	0.3
158.28174	0.2
171.32745	0.2
184.07350	100.0
185.07707	0.6
189.46425	0.2
273.26297	0.3
278.38635	0.2
296.14587	0.2
329.16660	0.3
338.31903	0.2
347.76501	0.3
353.25256	0.2
358.42035	0.3
395.62830	0.2
439.53580	0.3
480.31924	0.3
486.04095	0.2
607.98944	0.3
778.53772	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	22.0
57.03445	17.0
57.07065	2.1
57.26219	2.0
60.08154	7.8
61.02927	5.0
65.03928	4.8
67.05507	98.2
69.07063	20.8
70.06576	2.5
71.05038	1.9
71.07352	4.1
71.52003	2.6
79.05494	68.3
81.07058	100.0
83.04970	2.6
83.08626	11.6
85.02892	4.7
85.06516	4.0
86.09711	24.8
91.05476	40.8
93.07046	70.6
93.07634	4.1
95.04948	6.6
95.08608	83.2
97.02878	4.0
97.06523	5.8
97.10189	3.7
98.98454	2.4
104.10728	2.8
105.07025	34.3
105.95091	2.1
107.08597	41.7
109.06524	3.3
109.10153	32.4
111.08095	3.2
117.07008	7.6
119.08584	26.8
121.10151	31.9
123.08133	2.7
123.11729	11.4
125.00024	19.5
129.07025	3.3
131.08582	20.8
133.10136	24.4
135.11702	19.7
136.80696	1.7
137.13243	5.5
140.99332	2.2
143.08574	3.3
145.10092	22.3
147.11723	18.2
149.13260	13.2
157.10152	2.9
159.11710	15.5
161.13240	11.2
163.14813	7.2
171.11696	5.2
173.13274	11.1
175.14778	4.6
177.12662	2.6
177.16331	3.7
184.07344	89.3
185.13356	2.1
187.14850	6.3
189.16341	2.2
199.14890	3.2
201.16431	4.9
227.17960	3.1
229.19485	4.5
241.19722	2.1
243.20978	4.0
245.19054	4.1
247.20560	10.4
259.20605	5.5
261.22089	13.6
263.23721	3.0
278.89059	1.9
303.23056	1.8
319.22690	5.9
321.24243	71.7
323.25842	4.9
333.24136	5.5
335.25809	70.8
336.26120	4.1
337.27362	7.6
405.06360	2.1
581.45709	21.9
599.46802	13.4
778.54480	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	779.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	1.2
69.48568	4.8
69.48981	2.0
81.07067	1.1
145.74692	0.8
168.97949	1.0
169.70522	0.9
299.58862	0.8
550.17902	0.9
551.97083	0.9
568.92474	1.0
606.85260	0.9
779.43414	100.0
780.43860	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	779.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91496	0.6
55.05515	1.0
57.03435	1.8
59.04988	0.6
61.02932	5.3
67.05519	4.3
69.03436	3.0
69.07074	1.5
70.71869	1.2
71.04977	0.8
73.02915	3.7
79.05495	4.4
81.03415	3.5
81.07061	5.1
83.08632	0.8
85.02916	6.0
87.04498	1.3
91.03962	2.7
91.05494	2.4
93.07053	5.3
94.29572	0.6
95.04959	1.0
95.08621	3.9
97.02901	4.3
99.04446	1.0
101.02383	1.7
105.07052	1.2
105.14146	0.5
107.08630	1.9
109.02896	0.7
109.10175	0.9
111.08118	0.6
112.13799	0.5
117.07045	0.5
119.08620	1.8
120.68739	0.5
121.10182	1.8
127.03899	1.4
131.08629	1.7
133.10190	1.1
135.11726	0.8
137.13356	0.5
139.16754	0.6
147.11681	1.0
149.09700	0.7
184.07364	0.6
185.04279	0.7
236.93141	0.6
243.08487	2.2
267.16022	0.9
283.15234	4.9
317.17859	1.3
335.25940	0.7
378.41830	0.7
495.18118	1.7
501.23117	6.7
519.29199	6.3
545.71851	0.7
779.45508	100.0
780.45721	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	780.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.2
56.05048	1.0
57.03435	0.9
57.07078	0.8
58.06349	0.2
58.06611	0.4
60.08165	7.4
61.02918	0.4
65.03908	0.3
67.05508	5.4
69.07069	2.7
71.07378	4.5
71.08634	0.3
71.28965	0.2
71.29279	0.3
73.02919	0.2
74.31978	0.2
79.05504	3.3
81.07063	6.8
83.08636	1.4
85.02928	0.3
85.06552	0.3
85.10243	0.2
86.09710	32.3
91.05489	2.3
93.07053	4.6
95.04984	0.4
95.08618	5.4
97.06562	0.4
97.10181	0.7
98.98472	4.3
104.10737	1.9
105.04498	0.2
105.07024	2.4
107.08601	2.1
109.10159	2.2
111.08053	0.2
113.09667	0.3
117.07033	0.7
119.08594	2.1
121.10175	1.7
123.08083	0.3
123.11735	0.9
125.00012	23.3
129.07002	0.2
131.08562	1.1
133.10133	2.2
135.11723	1.0
137.13298	0.4
138.80141	0.2
145.10130	0.8
147.11711	1.5
149.13271	1.0
151.07523	0.3
159.11716	0.6
161.13275	0.9
163.14818	0.4
165.16418	0.3
173.13313	0.4
175.11212	0.2
175.14813	0.5
177.16283	0.4
184.07350	100.0
185.07669	0.8
187.14792	0.4
189.16284	0.3
199.14841	0.3
231.21161	1.0
241.19662	0.5
243.21196	0.5
249.22121	0.6
259.20575	1.2
288.91602	0.2
323.25873	2.8
325.27502	1.6
333.24362	1.0
335.25842	3.5
337.27063	0.3
434.62698	0.2
461.32690	0.2
518.32440	0.2
567.83191	0.2
583.47046	1.1
601.48389	2.3
727.50159	0.3
780.55231	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.4
57.03433	2.4
61.02917	6.8
67.05512	4.8
69.03433	3.6
69.07066	2.1
71.51641	1.3
73.02922	3.8
79.05493	2.3
81.03418	2.1
81.07055	5.9
83.08632	1.7
85.02906	6.1
91.03957	4.0
91.05495	1.7
93.07049	4.5
95.08612	6.3
97.02916	7.7
101.02367	2.0
103.24425	1.1
104.04311	1.0
105.07046	2.8
107.08598	2.8
109.02877	1.4
109.10170	1.7
115.17700	1.0
119.08545	1.1
121.10151	1.1
123.11669	1.1
127.03915	1.7
128.82501	1.0
131.08521	1.3
133.10107	1.0
161.13295	1.3
216.88368	1.0
226.43410	1.0
243.08438	1.9
507.29254	4.8
519.29285	8.4
533.89282	1.2
700.29333	1.1
702.93390	1.0
785.51727	100.0
786.51733	7.2
819.26691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2079
Annotation	Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.01870	0.4
57.03425	0.6
61.02916	0.3
63.02352	0.4
65.03942	0.3
68.99794	0.4
69.03430	2.0
70.06594	1.5
71.04986	0.4
71.51641	0.3
72.08158	0.6
78.04709	0.4
79.05484	0.3
81.03422	3.7
81.07056	0.2
84.04525	0.2
84.08137	0.8
85.02905	3.3
86.09715	0.6
89.03917	6.0
91.05490	1.3
93.07092	0.2
97.02904	1.6
99.04448	0.6
103.05480	0.3
105.03339	0.5
105.07033	0.3
106.04206	0.3
107.04921	0.4
107.12984	0.2
109.02869	1.9
110.07164	0.2
111.00786	0.4
115.05466	0.3
117.03382	14.9
118.03719	0.3
119.04931	1.4
120.08117	0.3
121.02869	5.2
121.06562	0.2
127.03935	2.4
129.10236	0.4
132.44641	0.2
133.02838	0.4
134.03629	0.9
135.04411	0.9
136.07602	0.3
137.02350	0.8
137.05980	0.8
141.25502	0.2
145.02847	40.3
146.03220	0.7
147.04424	5.4
149.05994	5.5
151.03967	0.3
153.01817	2.3
161.05911	0.3
163.03876	0.5
165.01851	0.9
171.02858	0.3
171.04300	0.3
175.03934	0.8
177.05472	100.0
178.05843	1.7
183.02919	0.4
185.05978	0.3
186.05492	1.0
189.05403	0.2
195.06551	0.9
207.06528	1.4
213.05498	0.8
219.06473	0.3
231.06401	0.4
241.04982	0.9
244.87282	0.2
258.05209	0.6
259.06021	0.3
269.09198	0.2
287.05502	59.0
288.05850	1.2
299.05692	0.4
317.06516	2.5
321.09714	6.3
339.10779	5.6
359.23312	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	787.2294
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01850	0.2
55.05474	0.2
57.03439	1.3
61.02890	0.5
69.03425	1.1
69.69640	0.4
69.70054	0.5
71.04993	7.8
73.02884	0.4
75.04465	0.3
81.03390	0.4
83.04954	0.5
85.02905	11.5
87.04435	0.3
91.03924	0.3
92.02625	0.3
93.03374	0.5
97.02898	1.1
99.04410	0.2
105.93639	0.2
109.02863	0.4
111.04396	0.4
121.02859	0.4
126.03099	0.2
127.03942	0.7
129.05490	2.2
137.02289	0.4
139.03911	1.0
145.04979	0.8
147.06480	0.6
151.03915	0.8
153.01823	4.3
165.01808	0.6
177.05453	0.2
180.40860	0.2
183.02899	0.2
201.05463	0.4
217.05023	0.3
218.05728	0.3
228.04198	0.6
229.04955	1.6
245.04433	0.6
246.05185	0.8
257.04410	1.9
257.31055	0.2
260.03369	0.2
261.07550	0.3
271.05908	0.2
273.03888	0.7
274.04752	3.1
284.03253	0.3
285.03934	3.6
286.04370	0.2
288.06287	0.3
302.04199	11.3
303.04596	0.2
317.06552	100.0
318.06891	2.9
329.06470	0.2
359.07602	0.5
383.07596	0.2
390.61218	0.2
428.55237	0.2
479.11856	24.3
480.12268	0.9
641.16980	0.3
642.63214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
56.91718	0.4
65.03939	0.6
67.05487	0.5
69.03439	6.9
69.41236	1.5
69.41662	1.7
70.06591	0.8
71.01338	0.6
71.05003	1.7
73.02918	0.4
77.03908	0.6
79.05509	1.1
81.03426	19.1
81.07034	0.5
83.01365	0.7
83.04970	0.5
85.02908	6.7
88.30977	0.4
91.05489	57.6
92.05788	0.5
93.07044	0.9
95.04982	1.6
95.08625	0.9
97.02899	11.8
99.04465	5.5
103.05476	40.7
105.03392	0.9
105.04536	0.8
105.07044	1.1
107.04955	0.6
107.08610	0.5
109.02888	32.0
115.05464	3.4
117.07036	4.5
119.04990	0.6
127.03930	38.5
128.04250	0.7
129.07019	0.6
131.04938	100.0
132.05290	1.1
133.06491	2.6
139.03873	1.1
143.04953	3.6
145.04976	15.6
145.06395	1.3
149.05991	0.5
160.49698	0.4
161.05991	26.1
162.90089	0.4
169.04982	7.4
171.04422	12.8
179.07042	12.4
187.05998	5.5
187.07512	0.5
189.05463	1.5
199.07616	0.6
215.07045	1.3
221.08115	2.9
222.96916	0.4
229.07106	2.2
231.06528	2.1
247.08029	1.0
249.07561	3.0
275.09164	0.7
287.09070	1.5
297.07617	0.7
305.10168	2.4
315.08527	1.0
317.10263	0.5
333.09763	2.4
335.11212	3.9
347.11282	1.9
375.10706	1.6
393.11804	1.1
445.29532	2.3
463.30313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03428	0.9
57.21588	0.6
65.03931	1.1
67.05500	0.7
68.97049	0.5
69.03437	9.5
69.45757	0.6
70.06601	1.2
70.10329	2.6
71.04995	2.1
79.05470	1.3
81.03416	24.7
83.01342	1.1
85.02905	11.8
91.05481	100.0
92.05862	1.1
95.04995	0.7
97.02893	15.3
97.68967	0.6
99.04453	10.9
103.05457	7.7
105.03393	1.1
105.07023	2.2
107.04951	0.8
109.02880	34.2
111.04404	0.8
115.03952	0.8
115.05463	5.1
117.07029	6.1
119.04965	1.3
127.03919	62.9
128.04248	0.7
131.04927	21.0
133.06476	5.2
139.03911	1.3
143.04941	5.7
145.04961	28.2
145.06438	2.3
149.02303	1.1
149.25349	0.6
161.05983	46.7
165.09114	0.8
169.04967	11.5
171.04407	25.4
179.07034	19.8
187.06010	6.0
189.05505	1.8
193.04942	0.7
221.08089	5.6
229.07100	4.4
229.62791	0.6
231.06519	4.4
247.08090	2.4
249.07573	6.9
269.08066	1.4
287.09061	2.8
305.10193	4.7
315.08643	2.0
333.09711	4.6
335.11432	0.9
347.11319	4.0
351.10782	0.7
375.10773	3.9
393.11859	2.8
407.13742	0.6
423.22516	0.6
560.76251	0.7
744.20630	0.7
787.46411	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	787.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30685	0.6
67.05491	0.9
69.03445	1.1
71.05017	0.7
79.05504	1.4
80.05034	0.9
81.03432	2.0
82.06583	0.7
85.02919	1.6
91.05494	1.8
93.05812	1.2
93.07076	1.6
94.06569	5.3
95.07377	1.3
96.08157	2.7
98.20762	1.2
107.04992	1.5
107.07301	1.0
108.04491	1.4
108.08125	9.6
109.02872	1.3
110.09671	4.3
110.58681	0.6
116.05000	1.6
118.06557	1.2
120.04465	2.6
120.08104	5.6
122.06044	5.9
122.09664	2.5
124.07672	1.2
127.03918	1.0
132.04420	0.9
134.06067	1.7
136.07582	8.1
138.09148	6.0
144.04515	2.0
146.06020	8.8
148.07582	4.7
150.09166	2.6
160.03993	2.3
160.07657	0.7
162.05531	1.5
162.89154	0.6
166.08658	4.6
170.09685	0.7
172.03961	6.5
172.07602	1.0
174.05583	2.7
176.07181	1.5
182.09753	0.9
186.05576	1.8
190.04953	7.3
196.09892	0.9
197.10799	1.4
199.12419	2.1
204.06613	1.5
209.10710	0.8
210.09315	1.0
211.08743	1.3
211.12280	0.9
212.09486	1.5
223.08730	1.1
223.12390	1.0
224.09549	0.8
225.10284	5.5
227.11795	12.1
229.13332	0.7
236.09445	0.9
237.10242	4.0
238.11026	1.8
239.11870	2.4
249.10263	1.8
251.11888	2.8
253.09804	3.1
253.13298	0.8
255.11356	3.1
263.08182	1.9
263.11893	0.7
264.09036	1.0
265.09796	2.8
266.10477	1.2
266.78183	0.7
267.11349	2.7
269.12891	3.9
271.10703	3.4
273.12466	1.6
277.09857	1.4
278.10480	0.7
279.11304	7.1
281.12878	1.5
283.10934	1.5
285.12540	2.2
295.10919	1.8
297.12418	4.0
299.13980	1.2
302.13181	0.7
307.10788	1.8
309.12207	1.1
314.12750	1.3
315.13812	1.2
316.14349	0.9
321.12201	1.0
323.10226	1.2
323.14023	0.8
325.12012	2.5
326.13034	1.2
327.13684	1.3
328.10849	2.3
328.14648	2.1
329.11658	1.9
329.15262	1.1
330.12372	1.5
330.15979	1.4
331.16718	1.3
340.14719	1.2
341.11472	1.5
341.15402	1.3
342.12488	4.6
342.16156	1.9
343.13123	2.7
344.14001	1.7
344.17685	0.9
352.14566	1.3
354.12207	1.1
354.16174	1.5
355.13217	2.3
356.13858	4.5
356.17761	1.3
357.14874	1.6
358.15607	5.9
365.11566	0.7
366.16205	0.9
367.13217	1.2
368.13980	1.1
369.14749	1.2
370.15543	3.6
372.17087	1.6
376.17108	0.8
380.13922	1.3
382.11884	2.0
383.12741	1.4
384.13303	1.7
384.17868	0.9
385.14456	0.9
386.14969	3.4
387.16162	0.9
388.16602	1.0
394.15652	1.5
397.13931	0.9
398.14999	10.1
399.15829	6.8
400.16534	2.6
412.16638	1.5
413.17017	1.0
414.18484	2.0
416.16196	2.9
417.16867	1.4
418.17282	1.1
429.17148	0.9
430.17722	1.0
440.16080	2.6
441.16183	1.0
442.17303	0.8
458.16891	3.1
459.18112	0.9
470.17300	0.9
500.18497	1.3
530.18860	1.1
534.22260	1.3
542.19568	1.1
548.20154	2.0
551.23102	0.7
554.19397	1.9
560.20459	5.4
566.19653	1.1
572.20544	1.3
584.20349	2.9
590.21460	2.0
593.24365	1.1
602.21307	6.8
620.22333	0.9
653.25824	1.0
691.27686	1.2
709.28455	2.4
711.30280	5.5
713.27948	6.9
719.26825	3.0
727.29749	4.9
737.28406	6.2
755.29230	100.0
756.29370	7.3
787.31323	3.0
813.11182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.0
55.05514	27.7
57.03439	10.3
57.07071	3.3
61.02921	7.0
65.03931	5.4
67.05506	61.8
69.03426	7.1
69.07068	18.9
70.97790	4.1
71.04988	2.9
73.02936	3.3
78.38437	1.4
79.05498	58.5
81.03403	4.9
81.07059	68.3
83.04974	5.8
83.08632	11.5
85.02913	8.1
85.06538	4.0
91.03954	3.0
91.05482	61.2
93.07046	54.1
93.07640	2.7
95.04961	9.0
95.08617	47.0
97.02892	6.9
97.06520	5.5
97.10178	6.0
99.08102	2.1
101.02406	1.5
103.05457	3.3
105.04502	3.0
105.07035	49.9
107.04971	6.4
107.08597	22.9
109.06527	7.7
109.10149	15.5
111.04489	1.7
111.08090	4.5
115.05456	7.6
116.06241	3.0
117.07020	38.8
117.60349	1.5
117.72868	1.6
119.08587	32.6
119.09335	1.1
119.98628	1.5
121.06532	5.2
121.10142	17.7
123.08071	5.0
123.11710	4.1
125.09663	3.5
127.03897	2.1
128.06219	15.9
129.07016	24.3
130.07779	6.3
131.08572	51.1
133.06467	9.2
133.10135	19.2
135.08049	5.9
135.11707	12.1
137.09644	2.8
141.06966	8.6
142.07765	4.8
143.08565	45.0
143.59708	1.4
144.09238	1.8
145.06496	2.2
145.10127	55.3
147.08069	7.7
147.11700	10.3
149.09654	4.1
149.13245	4.5
151.07579	1.6
153.07013	2.1
155.08543	6.2
157.10133	20.2
159.08038	4.3
159.11693	15.6
161.09592	13.8
161.13255	4.8
163.11198	5.9
165.07030	2.9
167.08563	3.4
169.10136	11.5
171.11662	16.0
173.09642	4.5
173.13252	6.3
175.11159	7.5
177.12733	3.8
181.10127	6.8
183.11734	7.9
185.13248	6.2
187.11163	2.3
189.12724	3.0
195.11713	10.2
197.13246	1.6
199.11229	3.1
199.14847	2.8
201.12759	2.1
203.14346	1.6
211.14864	1.8
213.12759	2.3
215.14273	1.8
227.17975	6.4
231.17271	1.6
237.16420	15.2
243.21149	1.8
245.19119	8.2
255.17451	16.7
259.20480	2.0
261.22107	4.4
273.18518	66.6
274.18765	2.3
275.20160	1.9
291.19492	6.6
329.21164	3.5
335.25809	100.0
336.26111	3.8
347.22174	27.3
348.22394	1.9
376.71121	1.6
452.49234	1.4
515.37988	1.7
521.45831	1.6
607.43597	34.6
625.44452	8.9
787.49170	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	789.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
63.27090	0.7
67.05495	1.7
69.03433	1.5
70.06586	2.6
71.05004	1.3
71.10026	1.8
72.08144	1.2
79.05477	2.7
80.05036	0.9
81.03416	2.8
81.07035	1.1
82.06554	1.3
84.04485	0.8
84.08137	1.2
85.02901	2.3
86.09721	1.6
86.46121	0.8
91.05446	2.0
93.05779	2.0
93.07020	2.6
94.06579	7.9
95.05006	1.1
95.07337	2.3
96.08138	6.0
97.02889	1.9
98.13614	0.7
103.05505	1.7
105.07059	1.0
106.06557	1.6
107.04956	5.2
107.07356	1.9
107.28920	0.8
108.04459	1.9
108.07446	1.1
108.08138	17.9
109.02875	2.7
110.09686	9.5
120.04448	1.1
120.08118	10.5
122.06039	8.2
122.09688	5.0
124.07574	1.9
127.03901	2.2
129.10225	1.2
131.04951	0.9
132.08083	1.2
134.06044	1.4
136.07591	18.9
137.05931	3.2
138.09157	15.0
145.06494	1.3
146.05971	2.5
146.09647	0.9
147.04440	1.1
148.07562	9.0
150.09169	9.0
151.03867	1.0
152.07079	2.4
160.03941	1.9
160.07523	1.8
162.09151	1.5
163.03970	0.9
164.07089	2.9
166.07375	1.4
166.08656	15.1
167.07063	7.0
172.03928	3.5
174.05556	1.4
176.07065	1.3
181.05003	1.2
190.05020	2.2
197.10818	1.1
202.08681	1.0
204.06557	2.4
209.10794	0.9
211.08591	3.2
211.12349	4.4
212.09444	1.5
213.10220	3.9
223.08655	4.3
223.12303	2.6
224.09315	0.9
225.10245	17.2
225.13765	1.8
226.11044	4.3
227.11794	8.0
232.09587	0.8
235.08632	1.2
235.12317	1.5
236.09445	3.0
237.10258	12.6
237.13925	2.2
238.10963	8.3
239.08144	1.4
239.11818	21.2
240.10260	0.9
240.12550	4.7
241.09790	1.0
241.13416	2.1
241.56622	0.8
249.10254	4.5
250.07503	0.9
250.10982	5.7
251.08110	4.0
251.11800	22.3
252.12619	4.3
253.09811	9.4
253.13368	10.2
254.10721	1.1
254.13914	1.9
255.11319	2.2
255.14830	0.8
262.10825	1.3
263.11862	8.1
264.08844	2.6
264.12607	2.1
265.09747	12.8
265.13327	9.0
266.10458	4.2
266.14075	2.8
267.11264	9.6
267.14603	1.7
268.12100	1.1
269.12845	2.2
271.10730	2.3
273.12363	1.2
275.11810	1.1
277.09729	2.7
277.13315	1.9
278.10526	3.6
279.11279	15.3
280.12073	2.9
281.12866	10.3
283.10825	4.9
283.14352	2.3
284.11346	1.6
285.12369	26.2
286.13132	1.6
287.13971	3.1
291.11227	3.3
292.11993	1.9
293.12845	9.8
294.13446	1.7
295.10788	1.7
295.14383	2.4
297.12415	10.6
298.13162	6.6
299.13916	7.4
307.10895	1.9
309.12320	4.3
310.12967	1.7
311.10495	0.9
311.13928	12.4
312.14594	1.5
313.15448	2.9
315.17126	1.0
316.14615	1.7
319.10629	2.1
321.12311	3.6
323.10199	1.5
323.13794	1.4
325.11780	4.6
325.15396	1.7
327.13510	4.9
329.15070	1.0
330.15976	2.1
335.14191	1.1
337.11966	1.1
339.13376	4.2
341.15060	2.2
342.16049	1.2
344.13925	1.1
344.17648	1.3
353.14975	2.9
354.15811	1.1
355.12964	1.4
356.13702	1.0
356.17606	1.2
358.15305	3.2
358.19281	1.2
359.15970	3.0
360.17007	1.6
362.19058	0.9
369.14578	2.4
370.15201	1.3
371.16113	2.2
372.17114	3.1
374.14633	1.3
376.16281	1.0
381.14432	1.7
383.16406	1.7
383.20737	0.9
384.17203	1.6
386.18640	2.1
388.16583	1.3
390.18164	2.0
395.16187	1.4
400.16269	2.1
402.18301	1.6
404.19751	1.7
407.15646	1.2
411.15594	2.5
412.16470	1.5
413.17212	1.9
414.17899	1.1
418.17313	2.1
425.17108	1.6
427.18970	5.3
429.16553	2.5
430.17429	1.7
432.19208	1.4
437.17615	1.0
441.16409	2.4
443.17996	1.8
444.19156	1.2
446.20880	2.5
450.20404	4.3
451.20804	1.4
453.16904	4.1
455.17975	3.0
458.17151	1.3
459.17679	1.3
463.15314	1.0
464.22031	1.8
469.15961	1.9
471.17615	5.7
472.18622	1.9
473.19043	1.3
474.20065	1.8
481.16135	2.4
483.17371	2.4
503.20258	1.4
528.20453	0.9
548.23840	1.1
574.22052	1.6
578.24091	1.1
590.24475	2.6
592.25580	3.3
593.23511	3.3
594.23932	2.6
600.23590	1.2
606.24774	4.7
607.25635	1.4
608.25995	4.2
618.24548	4.3
620.22046	2.6
621.22778	2.2
622.23956	1.1
627.25098	1.3
634.23999	12.0
635.24805	17.5
636.25586	47.5
637.26239	1.4
653.25427	3.2
666.26764	7.9
667.27417	100.0
668.28088	33.5
669.27655	2.2
721.29077	1.7
729.30115	1.4
739.29431	3.5
757.30811	14.7
789.33667	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	9.9
55.05514	17.8
57.03446	11.4
57.07061	1.7
59.05004	3.3
65.03951	3.5
65.14704	1.5
67.05511	52.0
69.07069	26.1
69.49561	10.5
71.04978	2.1
77.03901	1.5
79.05496	46.8
81.03426	4.1
81.07062	71.3
83.04977	4.0
83.08631	6.4
85.06550	3.2
91.05488	50.2
92.29321	1.6
93.07048	52.1
95.01342	5.8
95.04973	7.8
95.08614	46.1
95.09090	1.3
97.06548	19.9
97.10150	2.9
102.68199	1.7
105.04573	1.9
105.07039	57.9
107.04954	11.3
107.08602	20.7
109.06519	7.1
109.10183	17.4
111.08123	3.0
117.07034	13.9
119.08591	34.8
119.13459	1.5
121.06544	2.9
121.10157	15.4
123.08090	6.2
123.11694	4.4
129.06963	3.8
131.08571	22.7
131.56180	1.7
133.10133	29.4
135.08066	3.0
135.11711	6.6
137.09608	2.9
139.07596	1.8
143.08537	2.7
145.10112	15.9
146.77718	1.6
147.11684	13.1
149.09612	5.9
149.13330	3.4
151.11211	2.6
157.10130	4.6
159.11754	8.8
161.13251	5.1
163.11177	2.7
171.11687	1.8
173.13269	4.3
179.14316	8.6
183.11748	2.7
197.13197	1.9
203.14287	2.0
219.17459	38.5
247.20471	3.0
257.19046	5.7
261.22180	2.9
275.20084	58.0
293.21240	2.1
335.25827	86.1
349.23712	16.7
351.71671	1.5
609.45154	100.0
610.45361	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	789.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	11.2
55.05319	3.8
55.05519	34.7
57.03429	17.9
57.07059	4.8
58.85716	3.1
59.08828	3.3
61.02916	4.6
64.12030	3.4
64.53765	3.3
65.03939	6.8
67.05186	6.4
67.05512	82.5
69.03421	12.3
69.07072	30.2
71.04983	4.6
72.25879	3.7
79.05499	82.1
81.03422	10.1
81.07059	100.0
83.04967	11.9
83.08621	19.0
85.02914	8.1
85.06559	3.7
91.05489	68.9
93.07043	67.0
95.04964	6.6
95.08620	60.6
97.02921	7.6
97.06531	20.6
105.07034	61.0
107.04939	5.7
107.08606	34.1
107.62991	3.9
109.02894	5.3
109.06525	10.5
109.10153	29.3
111.08068	4.6
117.07037	21.3
117.24976	2.9
118.99303	3.0
119.08583	44.2
121.06538	4.4
121.10145	25.0
123.08066	8.5
123.11688	7.7
125.09657	5.8
127.03916	5.3
128.06163	3.5
129.06978	8.6
131.08577	29.1
133.10156	33.4
133.35309	3.6
133.86578	3.5
135.11700	16.8
140.09225	3.1
142.07817	3.9
143.08569	5.7
145.10129	21.2
147.11722	18.6
149.09639	10.2
149.13243	8.1
151.11203	3.5
157.10165	8.1
159.11697	14.8
161.09605	5.1
161.13257	5.5
163.14908	3.8
165.89665	3.6
169.10132	4.7
171.11668	4.6
173.04364	5.3
173.13216	7.3
175.14818	4.0
183.11700	6.5
184.07350	7.6
185.13153	4.4
219.17476	39.1
253.14191	4.3
257.18973	6.4
275.20139	55.2
277.21667	4.1
335.25821	94.8
349.23801	27.3
400.07654	3.8
529.39532	5.7
569.42426	4.8
609.45264	79.5
627.45892	8.5
685.91779	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	791.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.4
55.05518	33.4
57.03443	26.6
67.05508	91.1
69.03423	9.2
69.07062	27.2
69.51648	21.5
71.04977	14.8
79.05074	5.9
79.05495	76.5
81.03412	10.8
81.06593	5.1
81.07060	100.0
83.04985	7.6
83.08600	13.1
85.02904	6.4
86.09682	5.0
91.04917	4.5
91.05479	65.1
93.07049	84.9
95.04955	7.0
95.08614	70.5
97.02905	25.0
97.06541	7.1
97.10152	5.6
99.08031	7.5
105.04514	4.4
105.07031	43.5
107.08598	46.3
109.06502	8.0
109.10175	24.3
117.07018	15.3
119.08591	37.2
121.06496	3.9
121.10157	36.1
123.08076	3.8
123.11749	7.1
127.03928	6.2
129.06993	8.7
131.08585	25.4
133.10153	27.6
135.08058	4.8
135.11705	23.7
143.08566	8.9
145.10144	22.3
147.11687	22.1
149.09541	3.9
149.12166	3.1
149.13243	17.1
155.14742	3.1
157.10095	7.9
159.11678	15.3
161.09566	3.9
161.13245	13.3
163.14850	4.1
169.10197	4.5
171.11708	10.9
173.13263	12.4
175.14880	6.8
184.07312	12.4
185.13379	5.9
187.14876	6.9
199.14940	5.6
241.19580	9.3
259.20605	19.0
261.22046	4.5
277.21649	25.1
333.24344	7.7
335.25809	88.7
337.27493	6.5
351.25443	31.8
369.23737	4.7
611.46747	34.5
616.62604	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	19.3
57.03438	9.0
57.07084	3.1
61.02925	2.6
65.03935	3.3
67.05509	71.9
69.03443	1.2
69.07072	17.7
71.04990	2.3
71.12012	1.2
71.12337	1.3
72.17784	1.1
77.03889	1.2
77.62251	1.0
79.05495	45.3
81.07059	66.4
83.04974	1.7
83.08624	7.7
83.09044	1.3
85.02906	2.5
85.06574	1.2
91.03938	1.9
91.05486	28.0
92.72070	1.1
93.07047	53.2
95.04962	4.2
95.08609	52.3
97.02869	2.3
97.06546	2.6
97.10108	2.1
101.92715	1.0
105.04512	1.6
105.07038	17.2
107.08602	26.3
109.06503	2.1
109.10166	19.9
111.08094	1.6
111.11655	1.0
117.07015	9.3
119.08595	16.1
121.10146	22.0
123.08062	1.9
123.11706	7.6
124.25570	1.2
125.09693	1.3
129.07016	2.1
131.08574	12.5
133.10133	12.8
135.08022	1.4
135.11716	14.3
137.13297	2.3
143.08514	1.8
145.10138	11.7
147.11723	11.9
149.13234	8.4
151.14865	1.1
157.10187	2.0
159.11717	9.3
161.13269	8.3
163.14815	5.1
171.11697	2.4
173.13269	7.5
175.14847	3.6
176.63281	1.2
177.12630	1.3
181.16023	1.2
185.13196	3.1
187.14836	3.7
189.16428	1.2
199.14832	1.7
201.16272	1.7
215.15843	0.9
215.18073	1.7
228.32912	1.1
241.19571	3.7
243.21085	5.9
259.20578	5.8
261.22156	18.5
263.23654	1.9
315.23434	1.6
317.24744	3.4
333.24176	6.0
335.25806	100.0
336.26175	5.0
336.30084	1.1
337.27377	7.7
521.43640	1.4
543.40613	1.3
595.47052	11.6
602.37695	1.2
602.47388	1.2
613.48181	8.5
797.51593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.6
55.05516	21.6
57.03445	7.4
57.07071	4.6
65.03939	4.6
67.05507	92.2
69.03427	10.8
69.07071	21.2
69.27087	9.9
71.05000	4.8
73.02915	1.3
74.09711	1.3
75.04484	1.2
75.34449	1.1
77.03937	1.3
79.05496	72.4
81.03432	9.9
81.07062	100.0
82.07385	1.6
83.04980	3.2
83.08617	10.3
84.08121	1.2
85.02908	7.8
85.06536	4.1
86.04884	1.1
90.11456	1.0
91.04899	2.0
91.05481	43.9
93.07050	82.6
95.04986	7.7
95.08614	75.4
97.02895	7.5
97.06525	5.0
97.10161	5.9
99.04471	3.0
99.08101	3.6
103.03951	1.3
105.04539	2.1
105.07036	37.6
107.08601	44.7
108.04443	1.6
109.02887	2.7
109.06514	2.7
109.10162	42.9
111.04446	4.8
111.08098	3.3
111.11704	1.8
115.05458	2.7
117.07020	18.9
119.06100	1.4
119.08594	29.0
121.06541	3.4
121.10144	39.7
123.04337	1.9
123.08082	2.5
123.11723	17.8
125.09646	2.3
127.03945	3.1
128.06201	1.8
129.05493	1.6
129.07019	6.5
130.08643	2.4
130.15952	2.1
131.08569	33.1
133.06506	2.1
133.10132	24.4
135.08090	1.5
135.11690	34.2
137.09550	2.8
137.13240	4.5
141.07021	2.3
142.07826	1.5
143.08569	8.6
145.04979	1.6
145.06483	1.7
145.10123	24.8
147.08008	1.7
147.11681	18.1
149.09631	2.8
149.13272	23.3
151.11203	2.0
151.14821	2.8
153.12749	1.8
155.08574	2.8
157.10161	5.3
159.11707	21.6
161.09648	1.9
161.13275	12.2
163.11249	2.3
163.14839	12.3
165.12798	2.4
167.08554	1.9
169.10201	2.7
171.11722	4.6
173.13263	17.9
175.07721	1.1
175.14838	4.7
177.12810	3.1
177.16397	5.5
179.14325	2.5
181.10199	2.4
183.11681	2.3
185.09695	1.5
185.13306	3.9
187.14822	9.4
191.14320	2.3
195.11716	2.3
197.13287	1.4
199.14870	3.2
201.16396	2.8
205.15916	2.3
209.13246	1.8
211.14836	1.3
213.12755	1.6
213.16306	1.6
215.14246	2.0
219.17615	1.4
223.16850	1.3
233.22694	2.8
243.21094	25.6
249.14778	2.1
259.20654	5.5
261.22141	74.7
262.22574	1.6
273.22214	2.1
277.14117	1.4
277.21661	4.6
279.23245	4.1
285.22211	1.4
289.21780	3.2
291.23270	2.0
295.15234	1.4
301.21622	3.2
303.23169	3.8
315.23410	2.3
317.24884	1.7
327.23389	1.6
335.25848	20.5
341.24631	2.8
351.23077	2.5
353.26846	16.0
357.24872	1.3
363.67697	1.3
369.24319	10.9
387.25452	6.3
405.26425	7.4
423.27411	4.7
567.34595	1.2
607.05554	1.2
618.78864	1.4
627.52264	1.5
647.41193	1.3
709.46338	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	19.6
55.16523	2.1
57.03439	13.1
57.07067	4.5
61.02921	3.3
65.03947	3.2
67.05508	75.5
69.07070	19.1
71.04983	1.8
71.51494	2.1
74.09709	14.1
79.05496	58.2
81.06593	3.6
81.07063	73.2
83.04974	2.8
83.08607	6.1
85.02909	3.3
90.55915	1.8
91.05486	31.4
93.06490	3.4
93.07050	53.9
95.04930	3.2
95.08615	52.7
97.02890	2.7
97.10178	3.1
105.07027	21.0
107.08595	28.8
109.10163	24.2
111.08078	2.5
117.07014	8.8
119.08596	18.6
120.83039	2.2
121.10149	24.4
123.11728	9.2
125.09689	1.9
129.06990	2.0
131.08578	14.4
133.10156	14.6
135.11710	15.6
137.09705	2.1
137.13269	4.0
145.04674	2.1
145.10120	9.2
147.11710	17.2
149.13258	10.9
157.10175	2.7
159.11671	10.3
161.13266	8.9
163.14827	6.4
171.11667	2.6
173.13271	6.7
175.14868	5.0
177.16486	2.4
187.14815	4.6
201.16382	2.1
203.12219	2.2
241.19754	2.6
243.21025	6.7
259.20584	7.1
261.22171	17.7
263.23825	2.7
317.24759	5.6
333.24222	5.5
335.25812	100.0
336.25949	4.2
337.27386	11.5
521.43329	2.9
595.47266	13.4
613.47858	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	793.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	16.5
58.73527	1.5
67.67475	1.4
69.03456	2.2
71.50539	1.6
75.88715	1.2
84.96018	7.2
85.02895	4.0
97.02903	2.2
97.96826	2.3
98.97588	100.0
110.97571	27.8
112.99111	2.7
116.98622	36.6
119.05034	1.8
128.98605	25.8
134.99660	4.7
140.98615	5.8
143.00194	8.1
144.97876	1.6
146.99651	10.0
147.04425	4.3
152.98657	3.1
158.99667	21.0
161.01254	6.3
170.99661	25.5
177.00722	18.9
182.99670	10.5
189.00703	19.8
201.00693	27.5
208.00352	1.5
211.99763	1.6
213.00795	3.2
219.01770	62.4
223.02766	2.4
226.01527	2.1
231.01813	2.6
235.02797	14.9
237.02817	64.3
237.05164	3.3
238.01515	5.7
241.03844	6.9
242.03439	1.9
242.97426	1.4
243.01793	8.9
251.02310	1.9
253.03889	15.6
254.99471	2.0
255.03819	2.4
256.02463	1.9
259.05014	2.1
260.02115	2.7
261.02838	32.2
263.04413	3.6
265.03854	2.8
269.03421	4.0
271.04950	7.2
277.03857	15.0
279.03650	12.3
283.04639	1.6
291.03931	3.7
295.04910	23.3
313.05966	4.3
321.05112	7.2
337.05902	5.6
351.06100	2.9
367.07071	5.0
381.07013	4.6
385.08105	2.0
397.08087	3.2
399.08307	1.7
415.09131	62.1
416.09470	3.5
417.04672	38.8
433.10254	24.1
435.05716	3.5
451.06799	92.4
452.07001	2.1
475.11279	56.4
476.11417	2.5
487.10928	2.0
521.44739	1.5
755.03711	1.7
815.68134	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
55.05509	8.5
64.03368	1.0
65.03944	9.1
67.05495	3.1
69.03427	3.1
69.07025	1.3
70.06599	6.0
71.50914	1.2
71.51268	1.4
72.76650	1.2
72.93813	1.2
79.05501	3.2
81.03429	2.0
81.07037	1.7
82.04192	2.1
82.06592	1.2
83.08600	5.2
84.08136	2.5
85.02917	3.2
85.06518	1.0
86.09692	2.5
91.05502	7.5
93.03426	6.8
93.07047	2.4
95.01354	2.0
95.04980	4.4
95.31928	1.1
96.55412	1.0
97.06562	1.8
99.04460	1.4
100.07639	1.6
100.11264	29.0
101.11605	2.4
103.05476	2.8
105.07030	3.8
106.04208	1.4
107.01326	1.1
107.04950	11.3
107.08627	1.2
108.08076	1.3
109.02896	2.0
109.06540	1.7
110.03656	10.3
110.06097	1.5
110.52370	1.1
111.04450	12.4
112.07629	1.5
113.87191	1.1
115.05481	2.2
115.96269	1.0
116.12871	1.0
117.07040	2.6
118.04155	1.4
119.04949	2.3
120.08115	1.0
121.02872	2.3
121.06507	3.9
123.04434	3.9
125.06004	14.5
127.03877	1.8
128.07059	2.9
129.07024	2.9
131.04950	3.3
133.02858	1.7
135.04448	1.8
136.07584	2.4
137.05978	8.3
138.03156	1.3
139.08685	1.9
143.04935	1.2
145.06462	1.9
147.04424	2.7
147.08011	1.5
147.11647	1.6
148.05197	2.4
149.05988	4.7
151.03906	3.5
151.07539	3.2
153.05489	43.1
153.06781	2.1
153.09117	1.1
157.06491	1.4
158.97449	1.3
159.08044	3.1
161.06032	2.6
163.03918	4.6
163.07521	2.2
165.05573	1.9
165.07031	1.7
167.07062	21.6
169.06502	2.6
173.05917	1.7
174.06706	1.1
175.07559	2.3
177.05479	2.6
177.09175	2.1
178.07762	1.8
179.07092	1.5
181.04994	5.7
181.06505	3.1
182.05281	1.6
182.15404	13.0
183.15715	1.4
185.09656	1.1
187.07582	3.8
190.07831	1.5
191.07040	2.9
191.08614	1.2
193.08632	1.6
195.06441	2.2
195.08054	1.4
197.06004	6.7
199.07585	1.5
201.09102	3.6
203.08623	1.8
206.07233	1.3
207.08206	1.8
209.06354	1.4
209.08072	6.1
209.16512	9.6
210.06815	1.5
210.14914	13.2
211.07574	3.5
212.08299	2.7
214.53358	1.2
216.98044	1.3
218.07280	1.9
219.08081	2.5
221.06023	2.6
221.09689	2.4
222.06770	1.5
223.07516	2.9
225.05522	2.6
226.19186	1.5
227.06990	1.7
231.08183	1.7
231.10217	6.5
233.05823	1.4
234.06699	1.2
234.99028	2.7
235.07570	3.3
237.05626	1.4
237.09158	2.2
238.10094	1.3
239.07057	2.5
240.07819	21.6
241.08644	3.3
247.07634	2.7
248.08203	1.8
249.09114	3.1
251.07103	2.3
251.10727	1.6
252.07825	1.8
253.08711	1.7
253.11995	1.2
254.09256	1.4
257.08044	7.5
265.08527	1.8
266.09421	4.8
267.10260	2.0
268.07501	1.4
272.10480	3.9
277.08572	3.0
278.09384	3.2
279.10217	4.1
280.10947	1.7
281.08292	2.0
281.11792	7.7
282.08832	3.5
283.09558	1.5
284.10059	1.5
285.07672	2.4
293.11841	1.4
294.09042	2.0
295.09659	1.6
296.10446	1.5
297.11459	1.7
300.10040	5.3
307.09668	2.4
308.10455	1.6
309.11194	24.8
310.11877	1.8
311.12857	2.5
313.14560	1.9
319.09915	1.6
321.11255	4.4
323.03915	1.5
325.14432	2.4
326.11511	2.1
337.10709	3.7
339.12354	16.6
340.12869	1.8
341.13864	100.0
342.14297	2.6
343.31149	1.5
351.12262	2.3
353.13849	10.3
355.11676	2.8
357.13281	1.9
371.14954	3.7
379.04703	3.2
383.15021	1.3
387.14352	1.4
418.15048	1.4
453.34705	2.3
463.07056	2.6
549.21484	6.9
638.24548	1.2
669.27118	3.1
670.27148	3.7
679.51050	7.1
680.51312	3.0
761.31427	2.3
784.08765	1.6
792.59393	1.8
793.09235	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	794.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.2
59.05003	1.6
61.02932	1.6
65.03935	1.1
66.54932	0.7
67.05488	2.0
68.99802	3.7
69.03434	10.9
69.07062	1.9
69.87666	3.7
70.06581	4.0
71.04993	14.8
73.02899	2.3
73.06564	4.8
79.05493	6.0
81.02983	1.2
81.03419	12.3
81.04135	0.7
81.06588	1.3
81.07055	20.6
83.01348	0.7
83.04987	1.4
84.04491	0.9
84.08139	1.4
85.02435	1.3
85.02905	15.9
85.06570	0.7
86.09714	3.5
87.00813	4.1
87.04478	0.8
90.41456	0.6
91.05493	4.9
93.03383	1.7
93.07047	13.5
95.04955	2.6
95.08589	2.5
97.02899	8.9
97.06521	2.8
98.20892	0.8
99.04472	3.5
103.05475	3.9
105.01849	2.4
105.07029	2.4
106.04169	2.1
107.04967	4.1
107.08591	11.6
109.02884	18.1
109.10162	2.3
111.04430	3.3
111.08107	1.1
115.03899	1.5
115.05459	1.7
119.04918	1.9
120.08092	1.2
121.06488	4.6
123.04411	1.4
125.02342	1.4
125.06014	0.9
127.02982	1.0
127.03919	21.0
129.01851	2.8
129.05449	0.9
129.07085	0.8
129.10229	1.2
131.04932	7.3
133.02898	0.8
133.06482	0.9
135.04431	0.9
135.11696	22.5
136.07564	1.7
137.05981	18.1
138.06322	0.8
139.03925	0.8
141.01843	4.4
141.06921	0.7
143.04988	0.7
145.04953	4.6
145.06432	0.9
145.70370	0.6
147.02884	2.1
147.04410	4.1
148.05182	1.9
149.05974	7.1
151.03915	12.2
151.05014	1.3
151.07533	1.3
153.05455	1.4
153.12744	100.0
154.13132	0.8
155.03400	0.8
159.02898	1.9
159.04225	0.9
160.05197	1.0
161.05978	2.1
163.03882	1.3
163.07544	6.7
164.17197	0.6
165.05463	1.1
167.07042	4.5
169.04964	0.8
169.06354	0.8
171.02882	2.0
173.05997	0.9
175.07550	3.5
177.05446	5.7
179.07051	2.5
181.04990	4.5
181.08565	3.9
187.07552	2.5
189.03880	0.8
189.05493	1.5
191.07025	18.6
193.04971	1.1
195.02917	0.8
203.07027	7.3
205.08615	1.7
209.08095	19.1
213.03946	3.0
215.07074	2.6
221.08235	1.3
227.06924	1.3
229.08675	2.1
231.05042	3.0
233.08147	2.4
241.08574	0.9
241.19276	0.7
245.08112	1.1
257.07922	3.8
263.09201	2.4
269.08072	0.7
271.09723	0.7
273.06039	1.6
275.09201	2.0
277.08618	0.8
281.08066	0.9
287.08957	1.1
303.07120	0.9
330.08850	0.8
333.08215	3.2
339.07181	1.1
355.11969	1.4
357.08197	5.6
375.09225	7.3
387.14258	4.0
487.12167	2.1
505.13486	2.7
523.14557	2.4
535.14368	1.5
553.15784	1.5
669.36639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
59.04991	1.9
61.02918	1.2
65.03930	1.4
67.05501	2.4
68.99791	2.4
69.03431	12.1
69.07063	2.2
69.17949	8.1
70.06586	3.2
71.04995	15.7
72.08133	1.0
73.02902	1.6
73.06551	3.8
78.11381	0.7
79.05505	4.3
81.02937	0.7
81.03421	14.4
81.07063	20.6
83.04967	1.1
84.08118	1.2
84.39415	0.8
85.02909	15.3
85.92048	0.7
86.09708	2.9
87.00843	3.8
91.05479	4.6
93.03387	1.3
93.07052	13.3
95.04953	2.1
95.08610	2.0
97.02896	9.7
97.06532	2.0
99.04452	3.8
103.05455	3.6
105.01866	2.8
105.07051	1.5
106.04176	2.0
107.04943	4.5
107.08604	11.3
108.69167	0.7
108.87442	0.6
109.02888	19.4
109.10159	2.6
111.04451	3.4
111.08069	0.9
115.03970	1.8
115.05446	1.6
117.07059	1.0
119.04946	2.3
119.08569	0.9
120.08131	1.9
121.06512	2.4
122.03658	1.1
123.04452	1.9
124.05225	0.8
125.02341	1.1
125.05992	1.8
127.03918	22.1
129.01857	2.8
129.05482	0.8
131.04922	6.6
133.06503	1.6
135.04451	0.9
135.11700	22.6
137.05984	15.0
141.01852	3.8
145.04964	4.4
145.06514	1.0
147.03079	1.2
147.04443	3.1
148.05219	1.3
149.06026	4.4
151.03900	8.1
151.07532	1.2
153.09290	1.5
153.12753	100.0
154.13124	1.2
159.02910	2.0
159.04260	0.8
161.06027	1.8
163.07549	4.9
167.07037	3.1
169.06468	1.6
171.02895	2.2
171.04366	0.8
175.07568	3.0
177.05463	4.1
179.06999	3.5
181.04994	3.7
181.08617	3.3
187.07747	0.9
189.03941	1.4
189.05522	1.3
191.07022	12.9
192.14314	0.7
193.04994	1.3
195.02910	0.7
197.05923	1.2
200.52751	0.7
201.03969	0.9
203.07002	5.0
205.08537	0.9
209.08121	15.2
210.08543	1.0
213.04002	2.2
215.07071	2.3
217.08568	0.8
221.08109	1.4
229.08687	2.3
231.05057	3.2
233.08116	3.3
241.08678	0.8
245.08138	1.6
253.08823	0.9
257.08102	3.3
263.09329	1.9
269.08331	1.1
273.06073	2.5
275.09125	1.2
277.08597	0.9
287.09247	1.2
291.07098	0.9
297.05823	0.8
315.07370	0.8
333.08362	2.0
339.07056	1.7
357.08179	5.3
375.09213	5.9
387.14407	4.7
393.10397	0.9
487.12747	1.3
505.13495	2.4
523.14288	2.2
553.15424	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.0
57.07083	5.8
61.02917	4.2
64.89507	1.1
65.03941	3.5
66.13347	1.0
67.05507	100.0
69.03426	2.5
69.07070	30.9
70.63425	2.5
70.63776	1.4
71.04984	3.2
79.05495	42.9
81.07059	92.3
83.04973	2.5
83.08617	17.7
85.02896	3.1
85.06551	2.7
87.04471	1.3
91.05479	29.0
92.27468	1.2
92.54671	1.2
93.07048	45.8
95.04948	3.0
95.08611	76.4
97.02876	2.9
97.06548	4.5
97.10165	8.2
99.08104	3.2
101.72645	1.0
105.04533	1.8
105.07034	21.5
106.72421	1.1
107.08601	26.5
109.06523	1.6
109.10161	29.8
111.08080	4.5
111.11716	2.2
117.07031	6.5
117.29067	1.1
119.08584	21.6
121.10155	22.9
123.08112	2.7
123.11723	10.5
125.09638	2.0
129.06969	1.5
131.08585	11.6
133.10136	18.6
135.11694	19.1
137.13269	5.2
145.10117	9.3
147.11685	10.9
149.13257	11.3
151.11266	1.7
151.14781	2.8
153.12833	1.9
159.11674	8.5
161.13258	11.4
163.14825	7.8
171.11661	3.1
173.13278	6.9
175.14775	5.8
177.16435	1.6
185.13293	2.4
187.14816	3.7
189.16443	1.9
201.16365	1.7
241.19479	2.8
243.21066	8.6
245.22664	2.8
259.20627	6.1
261.22131	22.0
263.23752	5.7
291.08414	1.3
305.24335	1.2
310.52142	1.5
313.25134	1.4
317.24777	4.1
329.28455	1.5
333.24194	4.4
335.25803	82.1
336.26282	2.8
337.27383	92.3
338.27756	2.5
339.29004	5.2
523.45050	2.6
597.48834	32.7
598.49042	2.3
615.49780	19.0
616.49969	1.7
700.63330	1.5
702.98578	1.5
773.65594	1.2
817.20203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.0
58.85813	0.5
61.02705	0.5
61.02937	6.2
65.58546	0.5
67.05508	5.4
69.03442	3.2
69.07063	1.1
70.76502	0.7
70.76850	1.1
73.02917	4.6
76.51656	0.5
78.31541	0.5
79.05497	4.6
81.03438	1.8
81.07061	5.3
85.02906	5.3
89.20674	0.6
91.03959	3.6
91.05491	2.3
93.07049	4.1
95.08610	4.1
96.58392	0.5
97.02906	5.5
99.04468	1.1
101.02389	3.0
105.07062	1.4
107.08606	2.5
109.02910	0.6
109.10159	1.8
110.80824	0.6
119.08572	1.1
121.10183	1.7
127.03923	1.6
131.08650	0.6
133.10176	1.0
135.11621	0.6
141.21863	0.5
149.13322	0.7
185.04289	0.7
196.35020	0.5
212.70985	0.5
243.08479	1.9
430.16989	0.5
519.29254	13.0
797.51740	100.0
798.52039	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	797.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09947	0.8
58.87737	0.6
61.56039	0.7
62.76416	0.6
67.05505	1.6
69.07079	0.8
70.76221	0.6
71.51968	1.0
79.05502	0.8
81.07078	1.5
86.68960	0.9
93.07088	1.2
95.08608	1.0
161.97429	0.7
184.07387	1.1
192.94073	0.8
199.50798	0.7
797.51746	100.0
798.51483	6.7
809.13525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	0.4
69.03438	0.8
69.63393	0.2
70.06608	0.9
71.04996	0.9
71.47202	0.2
71.47538	0.4
77.03931	0.4
79.05520	1.6
81.03423	12.7
84.08141	0.5
85.02903	3.1
86.09736	0.3
91.05501	0.5
95.04968	1.1
95.08640	0.3
97.02900	5.6
99.04448	2.7
103.03948	0.5
105.04520	1.1
107.04963	100.0
108.05337	1.2
109.02887	56.1
110.03236	0.7
110.07141	0.3
120.08107	0.2
127.03925	30.1
128.04254	0.3
139.03922	2.8
169.04977	20.1
170.05266	0.2
187.05959	0.9
193.04898	0.6
211.05997	1.8
225.53699	0.3
229.07095	9.9
237.07521	0.6
252.47955	0.3
271.08203	1.9
271.10776	0.4
289.09210	11.4
495.14694	0.4
569.91547	0.3
588.02551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97796	0.2
65.18150	0.2
65.21040	0.2
69.03435	0.5
70.95859	0.4
71.04989	0.7
77.03945	0.3
79.05487	1.8
81.03419	6.2
85.02908	1.1
88.50809	0.2
95.04984	1.5
97.02894	1.1
99.04456	5.1
103.03951	3.5
105.04504	0.8
107.04959	100.0
108.05298	1.1
109.02882	11.2
127.03923	32.2
128.04301	0.3
139.03882	0.2
145.04976	3.0
151.85753	0.2
169.04982	6.2
187.06024	8.1
187.07741	0.4
194.27461	0.2
198.23183	0.2
205.29323	0.2
211.06041	0.6
229.07074	21.5
230.07445	0.3
289.09189	9.2
520.71936	0.2
536.58173	0.2
800.40936	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82028	0.3
57.03450	2.0
57.07071	0.5
61.02932	5.7
67.05508	5.5
69.03428	3.4
69.07077	2.1
69.11243	0.3
70.61098	0.4
70.81535	0.7
70.81885	0.4
71.01340	0.7
71.05006	0.6
73.02927	4.8
76.74503	0.3
79.05500	2.5
81.03408	1.8
81.07061	6.7
83.04971	0.4
83.08624	1.0
85.02908	5.7
91.03970	3.4
91.05473	1.7
93.07048	3.2
95.08614	4.7
97.02901	5.5
97.06551	0.4
97.10149	0.3
98.41619	0.3
99.04459	0.9
101.02383	1.7
105.07027	1.0
107.08586	1.5
109.10170	1.5
115.03891	0.3
117.07018	0.6
119.08630	0.6
121.10162	1.4
123.11743	0.6
127.03905	1.5
133.10158	0.7
135.11752	0.5
145.10164	0.4
147.11676	0.5
149.13301	0.6
159.11710	0.4
177.62521	0.3
185.04201	0.6
243.08498	1.6
261.62180	0.3
335.25888	0.8
337.27655	0.4
417.71280	0.4
434.38077	0.3
437.87799	0.4
493.88730	0.4
519.29346	8.5
521.30884	5.6
528.32434	0.4
532.16711	0.4
799.53333	100.0
800.53693	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	800.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	8.1
69.75909	4.3
71.04990	3.1
72.45422	0.7
79.05488	1.7
81.03416	26.5
83.01349	1.1
83.04945	0.8
85.02904	13.1
86.09674	0.7
91.05481	100.0
92.05809	0.9
93.38287	0.8
95.04999	0.8
95.08575	0.8
97.02888	15.6
98.20769	1.3
99.04459	9.7
105.04554	0.9
105.07072	0.9
107.04958	45.8
109.02879	37.5
115.03967	0.8
115.05457	3.5
117.06999	5.4
119.04974	2.2
127.03915	74.8
128.04320	1.1
131.04814	0.8
133.06499	5.2
143.04930	5.5
145.04961	31.5
145.06461	2.7
161.05981	46.9
169.04956	19.3
171.04408	32.4
179.07027	22.3
187.06024	9.3
189.05515	2.6
199.07350	1.1
217.95731	0.9
221.08130	5.1
229.07123	5.1
231.06473	4.4
247.08105	4.8
249.07584	14.8
250.29810	0.8
267.08658	2.1
287.09198	6.0
290.83838	0.8
305.10190	9.1
315.08603	3.7
333.09619	9.5
347.11282	6.6
351.10809	2.7
357.97546	1.0
365.12366	1.2
375.10733	20.7
393.11780	19.6
407.13339	1.4
435.12872	2.6
453.13812	9.7
453.19354	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
65.03931	0.4
66.84242	0.4
69.03429	8.1
69.30395	0.6
69.30804	2.8
69.39392	0.4
71.04984	2.3
71.55732	0.4
73.02899	0.4
79.05492	0.7
81.03423	24.6
83.01333	1.5
85.02906	10.3
91.05484	100.0
92.05813	1.5
95.04974	1.3
96.56849	0.3
97.02894	15.8
98.21543	0.7
99.04453	9.5
105.03403	0.7
105.04535	0.4
105.07016	1.5
107.04958	31.5
108.05274	0.9
109.02883	35.3
110.03187	0.5
111.99626	0.3
115.03915	0.6
115.05452	3.7
117.07011	5.7
119.04963	1.7
127.03921	67.7
128.04251	0.4
133.06488	4.3
137.91490	0.4
139.03923	0.6
143.04933	5.4
144.92747	0.4
145.03806	0.7
145.04965	29.7
145.06432	2.5
161.05983	41.0
162.06316	0.8
169.04968	16.3
171.04413	27.9
172.04759	0.5
179.07043	21.4
187.06004	8.4
189.05557	2.4
191.41980	0.3
197.05847	0.4
199.07579	0.7
207.06609	0.6
221.08054	5.1
223.07597	0.5
229.07080	4.3
231.06540	3.4
247.08159	3.4
249.07600	12.7
267.08667	1.7
269.08176	1.7
287.09155	5.1
297.07584	0.5
305.10172	7.8
315.08646	2.7
333.09683	8.3
347.11295	6.1
351.10788	2.3
357.09644	0.8
365.12491	0.5
375.10757	19.2
376.10962	0.4
393.11792	16.0
394.12213	0.6
407.13220	1.0
435.13034	2.0
453.13934	9.0
499.16263	0.4
800.36200	0.5
834.87653	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
60.08796	0.5
61.45811	0.5
65.03944	0.5
69.03434	8.0
71.04987	2.2
73.02894	0.6
79.05492	1.8
81.03419	27.4
83.01347	1.0
84.25558	0.5
85.02908	10.5
91.05482	100.0
92.05823	1.4
95.04974	1.4
97.02288	1.0
97.02895	15.3
99.04450	9.1
105.03391	1.1
105.07027	1.5
107.04958	44.5
108.05291	0.6
109.02880	40.2
110.03214	0.6
115.03895	0.7
115.05440	3.2
117.07023	5.2
119.04984	1.9
119.40150	0.5
120.76532	0.5
127.03919	72.8
128.04262	0.8
129.07024	0.7
133.06480	3.7
139.03879	1.1
143.04921	6.1
145.04961	30.9
145.06447	2.7
147.04399	0.8
161.05983	45.7
162.06352	1.0
169.04965	16.7
171.04413	27.1
172.04787	0.6
175.16504	0.5
177.40868	0.5
178.51732	0.5
179.07037	23.8
180.07414	0.5
187.06012	9.7
187.07504	0.8
189.05482	2.6
221.08119	5.0
223.07307	0.5
229.07085	5.5
231.06566	3.3
247.08131	4.0
249.05022	0.8
249.07576	13.8
267.08643	2.2
269.08038	1.9
287.09164	5.0
305.10196	8.2
315.08569	3.1
327.83459	0.5
333.09674	8.2
347.11243	7.8
351.10849	2.4
357.10040	0.6
365.12177	0.8
375.10733	18.4
375.15488	0.9
393.11783	15.1
407.13382	1.0
435.12906	1.9
453.13885	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	800.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
63.58940	0.7
69.03428	7.1
70.60980	0.8
71.04984	1.5
71.11785	1.7
74.97825	0.7
79.05497	1.2
81.03416	27.0
83.01344	1.4
85.02901	10.9
85.04815	0.7
90.59335	0.7
91.05480	100.0
92.05797	1.7
95.05030	1.0
97.02895	16.1
98.56845	0.8
99.04462	10.5
99.05054	1.4
105.03387	0.8
105.07044	1.3
107.04953	31.3
108.05303	0.9
109.02876	35.2
115.03951	1.4
115.05472	3.3
117.07015	5.1
119.04980	2.1
127.03915	69.0
128.04243	0.9
133.06461	5.0
136.68112	0.8
143.04927	6.4
145.04961	29.4
145.06421	2.2
155.06181	0.7
159.53767	0.7
161.05980	47.0
169.04958	18.4
171.04413	24.7
179.07034	22.7
187.05998	10.7
189.05597	1.7
199.07436	1.1
221.08113	5.8
229.07019	4.4
231.06490	3.8
247.08095	4.3
249.07596	13.9
256.05972	0.7
267.08646	3.0
269.08084	2.2
287.09125	5.7
305.10181	8.1
315.08658	3.0
333.09705	10.4
347.11243	7.4
351.10837	3.0
365.12140	0.8
375.10782	19.6
376.11194	1.3
393.11801	17.4
407.13196	1.4
435.12741	1.8
453.13910	9.8
487.61371	0.9
609.94458	0.7
766.29395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03405	0.7
60.55310	0.7
64.41348	0.7
65.03932	0.7
68.99799	0.6
69.03439	7.6
70.05658	1.5
70.06063	1.6
71.04995	2.1
73.02955	0.8
74.03114	0.6
79.05502	1.3
81.03422	26.9
82.30830	0.7
83.01343	1.2
83.84147	0.7
85.02914	11.3
91.05486	100.0
92.05805	0.9
93.80455	0.6
94.88544	0.6
95.04982	1.3
97.01910	0.8
97.02901	15.5
99.04459	8.1
103.05544	0.8
107.04961	43.2
108.05294	0.9
108.14231	0.6
109.02888	34.9
115.03896	0.7
115.05449	3.4
117.07034	6.0
119.05000	1.5
127.03926	67.5
133.06506	4.3
139.03873	1.1
143.04951	6.2
145.04987	27.5
145.06482	5.1
161.05991	44.4
169.04970	17.5
171.04420	27.1
179.07042	21.7
187.06007	9.5
189.05472	2.8
207.06650	1.1
221.08109	5.4
229.07118	4.4
231.06596	2.3
247.08191	4.0
249.07590	12.6
267.08661	2.3
269.08102	1.3
287.09167	5.3
289.63965	0.7
305.10199	6.4
315.08725	3.2
333.09695	7.5
333.13327	1.0
347.11304	7.1
351.10925	2.2
357.09509	1.0
365.12650	0.9
375.10760	17.1
375.15497	1.0
393.11862	15.5
407.13684	1.1
435.13062	1.7
453.13980	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	800.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
65.03954	0.6
68.99817	0.4
69.03430	1.6
70.06599	0.8
70.56579	0.5
70.56912	0.5
71.01345	0.3
71.05003	0.9
79.05490	1.1
81.03423	10.5
81.07066	0.6
83.05018	0.3
85.02909	6.6
86.09700	0.7
86.71575	0.2
91.05486	52.7
92.05818	0.6
93.07052	0.4
95.04986	0.7
95.08627	0.5
97.02896	7.1
98.21259	0.5
99.04460	3.2
103.03933	0.4
103.05459	0.4
105.03396	1.1
105.07037	1.8
107.04964	18.7
107.08625	0.6
108.05267	0.5
108.90545	0.4
109.02885	21.4
109.10129	0.4
110.03217	0.3
115.05466	4.3
117.07025	3.4
119.04937	0.9
119.08587	0.5
120.08121	0.6
121.10146	0.4
127.03925	27.0
128.04253	0.6
133.06506	9.6
136.07639	0.4
139.03906	0.6
143.04945	1.9
145.04930	1.9
145.06494	1.2
147.04428	0.4
161.05988	100.0
162.06357	1.6
169.04980	3.9
171.04417	6.8
174.24223	0.3
179.07047	16.6
181.06488	0.4
187.06046	3.4
189.05484	4.3
193.29466	0.3
197.05965	0.4
199.07567	0.7
207.06479	1.0
209.05931	0.3
214.89819	0.3
223.07552	0.4
229.07076	4.0
237.44701	0.4
247.08145	4.7
249.07613	12.9
250.08109	0.5
251.07018	0.3
269.08087	1.8
287.09171	4.3
297.07535	0.4
305.10071	0.7
315.08636	13.7
316.08896	0.5
333.09738	1.1
347.11157	0.8
375.10718	3.2
378.95584	0.3
393.11966	1.5
407.13507	0.4
435.12897	0.9
453.13870	1.6
620.32495	0.4
649.65820	0.4
706.30621	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.0
67.05502	1.6
69.03430	2.8
69.07085	1.0
70.06590	5.7
72.08163	2.0
72.75584	0.8
76.02238	1.3
77.03941	1.1
78.57028	0.7
79.05492	3.6
81.03423	9.6
81.07063	1.9
84.08159	5.5
85.02917	6.8
86.09706	3.4
91.05489	8.7
91.34445	0.8
93.07053	2.4
94.06596	1.1
95.04987	2.7
95.08613	1.4
96.08121	1.5
97.02911	2.2
99.04454	2.9
103.03973	1.0
103.05470	1.2
105.07038	2.6
107.04962	100.0
107.08610	2.1
108.05308	2.0
108.08160	2.0
109.02901	7.4
109.10158	1.7
110.07171	0.9
110.09675	1.9
112.97247	0.8
115.05451	1.6
117.07011	1.5
119.08587	1.2
120.08115	3.4
121.10184	0.8
122.06071	1.1
123.04420	1.3
124.07637	0.9
125.02136	3.5
127.03931	14.2
129.10260	2.3
131.04941	1.3
133.06532	1.1
133.10162	1.5
135.11732	1.1
136.07603	3.8
137.06024	4.2
138.09154	1.9
145.04964	1.8
145.06448	1.2
145.10075	0.9
148.07585	1.1
151.03925	1.6
152.07079	1.3
161.05963	5.0
163.07523	1.1
164.07068	1.9
166.08690	1.7
167.07021	4.6
169.04947	0.9
171.04462	1.8
172.03978	1.6
177.05540	0.8
179.04858	1.6
179.07118	1.0
181.04976	1.9
187.05997	2.0
187.07512	1.1
189.05470	1.7
190.04941	1.3
191.07098	1.1
199.84290	0.8
201.05356	1.0
204.06609	1.9
207.06487	1.1
209.06187	1.0
219.06519	0.9
225.10291	1.5
226.10889	0.8
227.11844	1.5
229.07085	2.2
233.07916	1.0
237.10222	1.3
239.11798	3.5
247.05804	27.5
251.05310	2.3
251.11833	2.5
263.11758	2.0
265.09540	1.1
265.13367	1.4
267.11282	2.8
269.06348	3.0
279.11356	3.3
285.12320	2.0
291.11081	1.5
309.12057	1.2
311.07388	8.2
324.10800	3.5
325.11697	1.3
327.13327	1.3
329.08447	16.4
337.11353	0.8
355.11902	0.9
385.13022	1.4
387.14548	0.9
394.36661	0.9
409.10794	2.3
417.15387	1.2
443.14545	1.4
453.14813	1.0
467.14517	2.0
469.15076	1.2
483.14230	1.8
483.32907	0.9
489.14493	0.8
495.14029	2.6
515.15302	13.8
516.15204	1.4
517.12872	0.9
535.14264	97.8
536.14508	4.5
606.20526	3.6
607.21521	3.1
608.22278	1.7
618.20789	3.0
630.20844	1.0
648.22058	7.9
649.22272	2.0
650.23444	1.3
680.24652	1.8
697.19147	3.3
753.27936	1.6
771.28766	1.6
803.23187	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	804.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51947	0.8
57.07083	27.2
67.05495	1.3
69.07072	3.0
71.08641	27.2
73.02917	1.5
73.06561	10.7
78.39094	0.7
81.07075	1.3
83.08611	3.7
85.10196	18.6
86.09727	1.3
87.04483	14.1
89.06040	100.0
91.07626	1.2
95.08643	0.9
97.10162	4.3
99.11726	3.1
100.71438	0.7
107.07042	1.3
111.11732	3.2
113.13276	1.2
117.09143	8.9
125.13293	2.1
127.14850	1.9
130.08681	2.3
131.07082	4.3
133.08615	50.6
135.10138	1.3
135.79445	0.7
141.16380	2.0
143.38597	0.8
160.72466	0.7
161.11797	3.0
175.09673	2.3
177.11255	21.0
177.12720	1.6
197.22694	3.2
221.13905	3.9
241.25270	2.1
278.50980	1.0
283.17392	1.0
285.27850	5.2
329.30600	3.1
521.08643	0.9
591.36353	1.0
745.47510	0.9
787.57861	2.2
804.60400	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94878	0.5
69.03440	1.0
69.85367	3.3
70.06614	0.8
71.58273	0.5
81.03439	3.3
85.02921	1.6
87.29221	0.6
89.36488	0.6
91.05492	11.5
97.02901	1.9
99.04445	1.3
104.44974	0.6
107.04958	5.9
109.02878	4.0
115.05505	0.6
117.07022	1.4
118.07502	0.7
119.04997	0.9
127.03932	5.2
145.05011	1.3
157.06346	1.6
161.05954	3.1
162.06334	0.7
167.26306	0.6
171.04433	1.3
179.07135	0.8
187.06000	0.7
191.03102	0.9
201.05325	2.6
209.04285	1.5
227.05341	1.9
247.05807	19.5
253.06841	0.8
269.06284	1.4
283.63132	0.7
287.07401	4.8
289.06805	11.6
290.07385	0.9
329.95642	0.7
373.08829	4.7
415.10034	14.7
433.11050	11.6
475.12146	29.6
476.12744	0.9
493.13242	29.5
494.13419	0.9
502.20020	0.7
517.02612	0.6
681.18158	0.8
699.19006	100.0
700.19397	5.1
805.23126	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	805.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	1.1
81.03412	3.8
85.02917	1.3
91.05483	12.7
97.02880	1.5
99.04433	0.9
107.04968	5.7
109.02886	4.2
111.82784	0.7
112.73480	0.6
115.05466	1.2
117.07043	1.4
119.04883	0.7
127.03918	4.5
143.04936	0.7
145.04945	1.6
148.25984	0.8
161.06003	2.5
169.04918	0.7
171.04439	1.2
179.07045	1.0
186.72200	0.7
191.03160	1.2
201.05203	3.6
209.04262	0.7
227.05386	1.9
247.05789	18.9
269.06308	1.0
287.07291	4.6
289.06812	10.9
373.09085	4.1
373.13058	0.7
415.09998	13.9
415.15030	1.2
433.11047	12.1
475.12100	26.9
493.13211	30.3
503.00635	0.8
681.18561	0.9
699.18994	100.0
700.19489	5.6
805.23291	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.0
64.53118	1.9
65.03927	3.0
67.05477	5.6
69.03418	5.1
70.06591	16.7
71.04996	2.2
71.50535	2.0
72.08172	3.6
74.32882	1.8
75.01944	1.6
79.05478	7.4
80.05012	4.1
81.03432	9.3
81.05775	3.3
81.07043	3.9
83.04996	1.9
84.04504	3.2
84.08141	7.0
84.66986	1.7
85.02889	7.6
86.09697	6.8
91.05483	13.2
93.05795	2.6
93.07060	12.5
94.06577	12.5
95.04957	3.5
95.07333	7.1
95.08604	3.1
96.08153	19.1
97.02884	4.8
97.06544	2.5
99.04446	2.2
103.05463	6.8
103.91702	1.9
105.07070	3.8
106.06547	6.3
107.04975	11.1
107.07341	9.9
108.08121	28.9
109.02864	7.4
109.08900	2.4
110.07176	2.8
110.09686	37.3
112.08730	2.2
115.05423	3.0
118.06504	3.3
119.04910	3.9
119.08591	2.1
120.07258	3.2
120.08111	59.0
121.06488	4.7
121.08870	5.3
121.10111	2.2
122.06003	4.8
122.09671	26.7
123.04464	1.9
127.03917	5.3
129.06961	2.6
129.10295	3.4
131.04906	2.2
131.07286	3.6
132.08107	4.5
134.05943	2.8
134.09618	4.5
136.07594	22.8
137.05971	9.2
138.09145	100.0
146.09665	5.4
147.04344	2.3
148.07579	13.0
149.05931	2.2
150.09114	18.8
150.10193	2.6
152.07108	3.2
152.10721	2.2
153.05591	2.1
158.09711	2.8
160.07594	3.8
160.18039	2.3
161.05960	3.8
162.09143	4.7
163.07457	1.7
163.91945	2.0
164.07008	2.7
166.08636	29.9
167.07042	11.5
174.09146	15.4
177.05507	3.9
180.10196	11.9
181.04944	5.9
191.06917	3.2
192.10168	5.2
193.08514	3.3
197.10751	3.3
199.08728	3.4
200.10881	1.9
201.10304	2.9
202.08730	4.2
203.06943	1.9
209.08089	2.4
209.10783	2.6
210.09064	2.0
213.10245	5.0
215.11757	2.6
220.09645	3.7
222.07764	2.2
225.10252	10.4
226.10945	3.0
227.08099	3.1
227.11803	5.8
228.10217	3.7
229.09740	2.8
229.13280	2.1
230.11700	3.6
237.10262	11.4
239.08127	5.3
239.11774	7.0
241.09711	10.2
241.13345	2.1
244.09686	2.0
246.11302	13.6
251.08215	10.1
251.11842	2.1
252.08896	2.6
253.09769	30.9
254.10468	2.7
255.11421	11.4
259.10843	2.9
261.66583	1.9
263.11884	3.6
265.09729	13.6
267.07849	2.4
267.11264	15.8
268.11972	2.2
269.09195	8.4
269.12784	2.9
271.10703	2.6
279.07614	3.7
279.11292	4.6
280.08389	2.8
281.09250	27.4
282.09845	5.2
282.13101	2.1
283.10840	17.0
285.12137	6.2
293.09146	8.3
295.10822	12.6
297.12234	4.8
299.10138	6.0
299.13599	1.9
307.10565	2.3
310.12741	3.0
311.10196	6.9
313.11832	15.0
315.13351	2.6
321.08655	5.9
323.10178	14.6
339.09781	4.1
341.11218	8.1
353.11273	5.0
355.12814	7.7
356.13681	2.1
357.13278	2.2
371.12057	3.2
373.13950	3.4
383.12393	5.7
400.16602	2.9
404.15891	2.4
413.13071	2.2
414.17685	2.4
417.15475	2.4
425.13290	2.7
429.16284	2.5
430.17529	2.3
431.14331	2.5
433.19574	2.7
437.13116	2.2
439.14825	3.3
443.14432	4.5
446.17291	3.0
449.13324	4.1
455.13913	2.2
457.15863	2.1
465.13135	2.5
467.13889	2.2
483.13892	6.7
485.15424	10.8
488.18280	2.9
499.17297	4.2
506.19327	3.0
515.16949	4.2
517.18317	10.9
520.20306	2.3
548.19910	5.4
572.19952	5.3
580.22272	4.9
586.21503	3.9
590.20831	2.9
600.23987	2.4
604.22595	9.4
606.24042	2.4
608.22015	6.5
611.25024	2.4
614.20819	7.3
622.23914	15.6
632.21777	6.1
636.25604	5.2
638.23517	2.5
640.24402	2.4
643.28082	2.8
645.97626	2.4
646.23657	9.2
650.23505	46.5
654.26611	9.0
664.24805	5.4
665.28058	2.3
668.24219	2.3
671.26489	3.1
682.25977	32.3
691.26898	3.6
709.28436	9.2
723.29669	4.3
727.29120	6.3
737.27924	7.2
741.30981	8.1
745.29907	2.9
755.28320	4.9
759.31812	6.2
773.29633	5.9
777.33362	2.5
787.29926	2.1
805.29840	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	805.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.0
64.53118	1.9
65.03927	3.0
67.05477	5.6
69.03418	5.1
70.06591	16.7
71.04996	2.2
71.50535	2.0
72.08172	3.6
74.32882	1.8
75.01944	1.6
79.05478	7.4
80.05012	4.1
81.03432	9.3
81.05775	3.3
81.07043	3.9
83.04996	1.9
84.04504	3.2
84.08141	7.0
84.66986	1.7
85.02889	7.6
86.09697	6.8
91.05483	13.2
93.05795	2.6
93.07060	12.5
94.06577	12.5
95.04957	3.5
95.07333	7.1
95.08604	3.1
96.08153	19.1
97.02884	4.8
97.06544	2.5
99.04446	2.2
103.05463	6.8
103.91702	1.9
105.07070	3.8
106.06547	6.3
107.04975	11.1
107.07341	9.9
108.08121	28.9
109.02864	7.4
109.08900	2.4
110.07176	2.8
110.09686	37.3
112.08730	2.2
115.05423	3.0
118.06504	3.3
119.04910	3.9
119.08591	2.1
120.07258	3.2
120.08111	59.0
121.06488	4.7
121.08870	5.3
121.10111	2.2
122.06003	4.8
122.09671	26.7
123.04464	1.9
127.03917	5.3
129.06961	2.6
129.10295	3.4
131.04906	2.2
131.07286	3.6
132.08107	4.5
134.05943	2.8
134.09618	4.5
136.07594	22.8
137.05971	9.2
138.09145	100.0
146.09665	5.4
147.04344	2.3
148.07579	13.0
149.05931	2.2
150.09114	18.8
150.10193	2.6
152.07108	3.2
152.10721	2.2
153.05591	2.1
158.09711	2.8
160.07594	3.8
160.18039	2.3
161.05960	3.8
162.09143	4.7
163.07457	1.7
163.91945	2.0
164.07008	2.7
166.08636	29.9
167.07042	11.5
174.09146	15.4
177.05507	3.9
180.10196	11.9
181.04944	5.9
191.06917	3.2
192.10168	5.2
193.08514	3.3
197.10751	3.3
199.08728	3.4
200.10881	1.9
201.10304	2.9
202.08730	4.2
203.06943	1.9
209.08089	2.4
209.10783	2.6
210.09064	2.0
213.10245	5.0
215.11757	2.6
220.09645	3.7
222.07764	2.2
225.10252	10.4
226.10945	3.0
227.08099	3.1
227.11803	5.8
228.10217	3.7
229.09740	2.8
229.13280	2.1
230.11700	3.6
237.10262	11.4
239.08127	5.3
239.11774	7.0
241.09711	10.2
241.13345	2.1
244.09686	2.0
246.11302	13.6
251.08215	10.1
251.11842	2.1
252.08896	2.6
253.09769	30.9
254.10468	2.7
255.11421	11.4
259.10843	2.9
261.66583	1.9
263.11884	3.6
265.09729	13.6
267.07849	2.4
267.11264	15.8
268.11972	2.2
269.09195	8.4
269.12784	2.9
271.10703	2.6
279.07614	3.7
279.11292	4.6
280.08389	2.8
281.09250	27.4
282.09845	5.2
282.13101	2.1
283.10840	17.0
285.12137	6.2
293.09146	8.3
295.10822	12.6
297.12234	4.8
299.10138	6.0
299.13599	1.9
307.10565	2.3
310.12741	3.0
311.10196	6.9
313.11832	15.0
315.13351	2.6
321.08655	5.9
323.10178	14.6
339.09781	4.1
341.11218	8.1
353.11273	5.0
355.12814	7.7
356.13681	2.1
357.13278	2.2
371.12057	3.2
373.13950	3.4
383.12393	5.7
400.16602	2.9
404.15891	2.4
413.13071	2.2
414.17685	2.4
417.15475	2.4
425.13290	2.7
429.16284	2.5
430.17529	2.3
431.14331	2.5
433.19574	2.7
437.13116	2.2
439.14825	3.3
443.14432	4.5
446.17291	3.0
449.13324	4.1
455.13913	2.2
457.15863	2.1
465.13135	2.5
467.13889	2.2
483.13892	6.7
485.15424	10.8
488.18280	2.9
499.17297	4.2
506.19327	3.0
515.16949	4.2
517.18317	10.9
520.20306	2.3
548.19910	5.4
572.19952	5.3
580.22272	4.9
586.21503	3.9
590.20831	2.9
600.23987	2.4
604.22595	9.4
606.24042	2.4
608.22015	6.5
611.25024	2.4
614.20819	7.3
622.23914	15.6
632.21777	6.1
636.25604	5.2
638.23517	2.5
640.24402	2.4
643.28082	2.8
645.97626	2.4
646.23657	9.2
650.23505	46.5
654.26611	9.0
664.24805	5.4
665.28058	2.3
668.24219	2.3
671.26489	3.1
682.25977	32.3
691.26898	3.6
709.28436	9.2
723.29669	4.3
727.29120	6.3
737.27924	7.2
741.30981	8.1
745.29907	2.9
755.28320	4.9
759.31812	6.2
773.29633	5.9
777.33362	2.5
787.29926	2.1
805.29840	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	806.5784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	5.7
57.89021	1.7
61.02928	3.1
67.05186	2.3
67.05514	31.7
69.07072	9.3
71.04989	1.9
71.43417	3.1
71.43782	1.9
79.05504	22.2
81.07065	29.9
83.08621	3.9
85.02903	3.5
91.05492	13.5
93.07053	26.6
95.08608	27.1
97.02886	2.1
105.07041	11.0
107.08601	12.8
109.10169	11.4
117.07047	4.9
119.08603	8.0
121.10145	11.4
123.11680	2.1
131.08578	5.0
133.10132	7.2
135.08116	2.1
135.11694	6.6
145.10120	5.7
147.11700	5.7
149.13246	4.3
159.11732	4.9
161.13356	2.4
163.14873	2.1
173.13234	3.8
175.14766	3.0
216.24518	1.5
241.19226	1.8
243.21068	3.9
259.20697	3.7
261.22168	14.3
266.24893	1.6
286.61111	1.7
317.25116	2.3
333.24554	2.9
335.25815	100.0
336.26151	3.9
337.27521	3.5
411.32098	1.8
475.58383	1.7
595.47034	13.6
613.47699	4.7
787.36591	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93847	0.8
56.94308	3.3
69.03437	1.2
70.95856	2.4
71.50376	1.1
71.63683	0.8
71.92995	1.2
72.93781	6.3
74.95364	0.8
81.03428	1.0
85.02907	2.1
89.94021	0.9
90.94824	4.1
91.05482	2.3
97.02896	2.6
98.97566	1.3
100.20051	1.0
103.05441	2.1
107.04934	1.6
113.98928	0.7
116.96384	1.0
118.94299	1.5
119.04938	3.8
122.86108	0.8
124.05230	1.4
128.96358	2.4
130.97955	1.1
131.04930	3.8
132.95840	8.5
135.04399	1.0
136.95320	1.1
137.05989	13.6
144.95839	9.0
146.97379	1.7
147.04404	4.7
150.96866	1.9
158.97417	21.0
158.98746	1.0
162.96910	4.0
163.07574	1.0
168.95871	2.4
170.97388	2.1
174.96973	1.5
176.98465	7.0
179.07007	1.0
186.96883	3.9
188.98477	0.9
192.99451	5.6
194.97391	10.9
198.96930	3.8
204.97910	1.2
208.99005	3.1
209.96228	4.1
210.96933	1.1
211.97679	1.1
212.98419	7.0
216.97931	12.6
216.99828	1.3
218.97400	1.4
221.96199	0.9
221.99971	0.9
222.96980	1.2
223.97610	1.6
232.99359	1.2
234.96619	2.0
234.98997	38.1
235.97565	2.1
236.98508	2.8
237.02602	1.0
237.95615	1.9
237.99220	2.0
238.99963	6.2
240.97903	1.0
241.98607	1.4
244.99011	5.3
247.00610	1.4
248.98514	2.1
249.99411	2.0
250.99913	7.3
253.00076	3.3
256.00565	1.0
259.00522	1.1
260.98428	2.0
262.99936	3.9
264.00769	1.2
265.01822	0.9
265.98804	2.9
269.01080	3.7
272.98477	5.0
273.99014	1.3
275.99368	3.9
277.01563	9.0
281.01123	5.2
289.01575	3.8
289.98727	0.9
293.01038	9.8
301.98676	5.0
305.01111	1.5
307.02670	2.1
317.01099	4.2
323.02335	1.8
337.03836	1.3
339.01584	2.2
347.02206	1.4
353.03064	1.6
368.01840	8.5
383.04245	100.0
384.04587	3.4
395.04459	2.8
401.05252	6.2
413.05347	19.0
424.06613	1.2
431.06509	6.5
584.09991	0.9
778.37231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
64.47079	1.1
65.03921	1.7
69.03413	3.4
70.06598	5.9
71.51378	1.6
79.05467	2.6
81.03415	2.6
82.06553	1.3
84.08130	2.3
85.02886	4.9
86.09692	2.0
87.04427	1.3
91.05485	3.3
93.05775	1.6
93.07037	3.1
94.06552	6.2
95.07348	2.8
96.08127	8.1
97.02869	1.8
103.05473	2.7
106.06535	5.0
107.04949	4.4
107.07313	2.1
108.08111	16.7
109.02900	2.7
110.09679	14.5
110.57013	1.0
120.04467	3.3
120.08113	13.3
122.06040	11.9
122.09649	5.1
124.07584	8.0
127.03924	2.5
129.10269	1.6
132.08124	1.7
134.06013	3.5
136.06537	1.6
136.07574	27.5
137.05956	4.0
137.08316	1.1
138.09152	21.1
144.04422	3.3
146.05978	7.7
147.04405	1.7
148.07585	17.1
150.09137	11.7
152.07057	23.7
162.05513	2.4
164.07080	8.2
166.08649	45.7
167.07014	3.9
172.03935	22.3
174.05519	2.1
174.09087	2.0
176.07063	3.7
177.05469	1.4
181.04959	2.9
190.04990	17.5
194.08122	1.3
197.10698	1.6
198.11507	3.1
199.12344	2.0
201.10316	1.4
204.06566	29.8
205.06874	1.6
210.11496	5.9
211.12259	7.0
212.13023	3.2
213.13808	1.5
218.08194	1.7
221.10663	1.8
222.11531	1.7
223.08739	1.7
223.12262	5.2
224.09331	2.0
224.12967	1.5
225.10214	7.7
225.13869	1.7
226.10915	7.7
227.11819	5.0
235.08713	2.2
235.12210	2.3
236.09564	2.0
237.10284	7.6
237.13837	1.4
238.11108	7.0
239.11789	14.4
240.12436	1.6
241.09561	1.7
246.07513	1.4
248.09471	1.6
249.10240	6.9
250.08636	1.3
250.10886	8.7
251.07884	2.0
251.11827	17.5
252.08830	1.3
252.12625	4.7
253.09737	4.8
253.13416	6.7
255.11273	6.0
256.12109	3.3
257.12891	2.5
259.14474	1.4
262.10916	3.3
263.11768	19.2
264.08951	4.5
264.12424	5.4
265.09821	9.0
265.13290	10.3
266.10547	6.9
266.13892	1.4
267.11313	21.4
268.11969	3.2
269.12827	4.8
271.10880	1.5
271.14432	7.7
273.12305	2.7
275.11676	1.5
276.12830	1.3
277.09695	4.0
277.13116	1.4
278.10416	4.0
279.11276	32.9
280.11963	4.6
281.09512	1.5
281.12833	12.7
282.09833	1.5
282.13693	2.1
283.10742	5.7
283.14221	1.8
284.11511	9.8
285.09149	2.2
285.12326	40.9
287.05460	1.7
287.13940	3.9
289.15509	3.6
291.11298	14.7
292.12085	3.9
293.09604	1.9
293.12817	15.4
293.70154	1.2
295.10880	5.7
295.13806	1.5
296.11584	4.3
297.12329	53.6
298.12924	6.7
299.13873	9.6
300.14474	1.3
307.10803	2.9
309.12360	20.2
310.12869	6.1
311.10150	7.0
311.13785	4.3
313.11850	3.4
316.14548	1.5
319.10815	11.2
321.12366	11.0
323.10223	12.8
325.08466	1.0
325.11850	22.0
327.13440	11.1
330.16248	1.5
337.11816	54.1
338.12445	3.4
339.13300	6.4
343.12836	3.2
355.12827	3.4
357.14371	12.9
358.15305	1.9
359.16064	3.9
367.12506	1.5
369.14490	4.1
370.15170	1.7
371.16467	1.9
372.17050	2.4
373.13736	1.7
385.14014	1.5
388.16412	1.5
390.17822	1.9
400.16556	2.6
401.17215	1.7
402.17944	3.6
404.19739	2.8
412.16516	2.1
416.19855	1.6
420.19302	2.2
422.20602	2.2
425.16516	1.3
430.17447	8.4
432.19220	6.8
436.18750	1.6
442.17606	2.1
444.18765	2.0
446.20441	5.1
448.18631	25.0
449.19388	16.7
450.20261	10.2
460.18600	19.0
461.19208	1.7
462.20248	4.3
463.20956	1.4
472.18481	3.0
474.20023	3.9
476.18170	6.5
477.19193	8.9
478.19769	8.0
480.21408	2.9
487.17191	6.1
490.19760	39.8
491.20041	3.5
492.21402	11.3
522.22388	14.8
523.23102	6.2
524.23706	3.0
567.25732	1.8
594.24286	2.1
595.25305	12.0
608.25214	1.6
611.24445	5.1
612.25800	7.0
613.26569	100.0
614.26794	6.5
634.23767	2.9
645.29193	11.0
652.24847	22.5
653.25739	9.4
654.26013	4.8
684.27637	7.0
685.28046	5.5
757.31378	1.9
775.31805	22.5
776.31006	2.4
807.34308	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
64.47079	1.1
65.03921	1.7
69.03413	3.4
70.06598	5.9
71.51378	1.6
79.05467	2.6
81.03415	2.6
82.06553	1.3
84.08130	2.3
85.02886	4.9
86.09692	2.0
87.04427	1.3
91.05485	3.3
93.05775	1.6
93.07037	3.1
94.06552	6.2
95.07348	2.8
96.08127	8.1
97.02869	1.8
103.05473	2.7
106.06535	5.0
107.04949	4.4
107.07313	2.1
108.08111	16.7
109.02900	2.7
110.09679	14.5
110.57013	1.0
120.04467	3.3
120.08113	13.3
122.06040	11.9
122.09649	5.1
124.07584	8.0
127.03924	2.5
129.10269	1.6
132.08124	1.7
134.06013	3.5
136.06537	1.6
136.07574	27.5
137.05956	4.0
137.08316	1.1
138.09152	21.1
144.04422	3.3
146.05978	7.7
147.04405	1.7
148.07585	17.1
150.09137	11.7
152.07057	23.7
162.05513	2.4
164.07080	8.2
166.08649	45.7
167.07014	3.9
172.03935	22.3
174.05519	2.1
174.09087	2.0
176.07063	3.7
177.05469	1.4
181.04959	2.9
190.04990	17.5
194.08122	1.3
197.10698	1.6
198.11507	3.1
199.12344	2.0
201.10316	1.4
204.06566	29.8
205.06874	1.6
210.11496	5.9
211.12259	7.0
212.13023	3.2
213.13808	1.5
218.08194	1.7
221.10663	1.8
222.11531	1.7
223.08739	1.7
223.12262	5.2
224.09331	2.0
224.12967	1.5
225.10214	7.7
225.13869	1.7
226.10915	7.7
227.11819	5.0
235.08713	2.2
235.12210	2.3
236.09564	2.0
237.10284	7.6
237.13837	1.4
238.11108	7.0
239.11789	14.4
240.12436	1.6
241.09561	1.7
246.07513	1.4
248.09471	1.6
249.10240	6.9
250.08636	1.3
250.10886	8.7
251.07884	2.0
251.11827	17.5
252.08830	1.3
252.12625	4.7
253.09737	4.8
253.13416	6.7
255.11273	6.0
256.12109	3.3
257.12891	2.5
259.14474	1.4
262.10916	3.3
263.11768	19.2
264.08951	4.5
264.12424	5.4
265.09821	9.0
265.13290	10.3
266.10547	6.9
266.13892	1.4
267.11313	21.4
268.11969	3.2
269.12827	4.8
271.10880	1.5
271.14432	7.7
273.12305	2.7
275.11676	1.5
276.12830	1.3
277.09695	4.0
277.13116	1.4
278.10416	4.0
279.11276	32.9
280.11963	4.6
281.09512	1.5
281.12833	12.7
282.09833	1.5
282.13693	2.1
283.10742	5.7
283.14221	1.8
284.11511	9.8
285.09149	2.2
285.12326	40.9
287.05460	1.7
287.13940	3.9
289.15509	3.6
291.11298	14.7
292.12085	3.9
293.09604	1.9
293.12817	15.4
293.70154	1.2
295.10880	5.7
295.13806	1.5
296.11584	4.3
297.12329	53.6
298.12924	6.7
299.13873	9.6
300.14474	1.3
307.10803	2.9
309.12360	20.2
310.12869	6.1
311.10150	7.0
311.13785	4.3
313.11850	3.4
316.14548	1.5
319.10815	11.2
321.12366	11.0
323.10223	12.8
325.08466	1.0
325.11850	22.0
327.13440	11.1
330.16248	1.5
337.11816	54.1
338.12445	3.4
339.13300	6.4
343.12836	3.2
355.12827	3.4
357.14371	12.9
358.15305	1.9
359.16064	3.9
367.12506	1.5
369.14490	4.1
370.15170	1.7
371.16467	1.9
372.17050	2.4
373.13736	1.7
385.14014	1.5
388.16412	1.5
390.17822	1.9
400.16556	2.6
401.17215	1.7
402.17944	3.6
404.19739	2.8
412.16516	2.1
416.19855	1.6
420.19302	2.2
422.20602	2.2
425.16516	1.3
430.17447	8.4
432.19220	6.8
436.18750	1.6
442.17606	2.1
444.18765	2.0
446.20441	5.1
448.18631	25.0
449.19388	16.7
450.20261	10.2
460.18600	19.0
461.19208	1.7
462.20248	4.3
463.20956	1.4
472.18481	3.0
474.20023	3.9
476.18170	6.5
477.19193	8.9
478.19769	8.0
480.21408	2.9
487.17191	6.1
490.19760	39.8
491.20041	3.5
492.21402	11.3
522.22388	14.8
523.23102	6.2
524.23706	3.0
567.25732	1.8
594.24286	2.1
595.25305	12.0
608.25214	1.6
611.24445	5.1
612.25800	7.0
613.26569	100.0
614.26794	6.5
634.23767	2.9
645.29193	11.0
652.24847	22.5
653.25739	9.4
654.26013	4.8
684.27637	7.0
685.28046	5.5
757.31378	1.9
775.31805	22.5
776.31006	2.4
807.34308	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.345
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	4.6
69.07066	1.4
70.06588	4.4
70.23927	2.1
70.24277	4.0
71.04998	1.8
79.05494	5.0
81.03426	3.3
81.07051	2.9
82.06595	1.6
82.65569	1.2
83.08631	1.2
85.02895	7.6
86.09697	1.6
88.24496	1.6
91.05481	4.6
93.07040	3.7
94.06572	5.5
95.07352	2.0
96.08138	5.7
97.02894	2.5
97.06519	1.7
98.20966	2.9
98.28356	1.3
100.11253	2.8
102.71317	1.4
103.05460	1.5
105.07031	3.2
106.06574	5.5
107.04974	2.3
107.07368	2.0
108.08129	13.8
109.02901	2.9
110.09689	13.5
116.04980	1.7
116.56502	1.4
120.04450	3.5
120.08111	16.2
122.06044	11.8
122.09658	3.2
123.04482	1.8
124.07621	7.3
127.03925	3.7
131.04901	2.0
133.10170	1.8
134.06021	2.9
136.06546	1.7
136.07574	22.0
137.05974	5.4
138.05472	1.8
138.09145	20.8
144.04488	3.4
145.06496	1.6
146.06039	7.0
147.04422	2.0
148.07594	18.0
150.09146	9.8
152.07095	18.4
162.05537	2.4
164.07060	5.6
166.08658	46.3
167.07040	30.7
172.03938	19.3
174.05550	3.2
174.09111	1.7
176.07095	3.1
179.07106	2.2
181.04927	2.4
182.15315	2.3
184.39870	1.4
190.05017	17.7
191.07156	1.4
193.08546	1.5
195.06020	1.5
198.11578	3.1
204.06558	30.3
205.08711	1.6
209.10736	2.7
209.16556	2.5
210.11514	4.1
210.14824	1.5
211.09627	1.9
211.12367	5.4
212.13097	3.0
213.10411	1.5
218.08257	2.4
223.12323	8.2
225.10225	7.5
226.11014	5.7
227.11797	2.5
235.12325	1.8
236.09506	2.3
237.10233	9.1
237.14009	1.7
238.11026	7.7
239.11797	10.0
240.12592	1.9
241.09766	1.9
241.13350	1.8
243.11255	1.5
246.07605	1.4
248.09419	1.5
249.10278	7.7
250.10968	8.7
251.08199	3.3
251.11815	15.8
252.09201	1.7
252.12578	4.1
253.09738	3.4
253.13440	5.4
254.10623	2.0
254.13916	1.4
255.11311	4.1
256.11993	2.7
257.12830	3.3
262.10950	2.6
263.08786	2.3
263.11795	21.9
264.08835	2.3
264.12564	4.9
265.09805	8.5
265.13364	10.9
266.10480	4.3
267.11279	19.3
269.12854	5.0
271.10907	2.5
271.14420	6.5
272.15427	1.3
273.12393	4.8
277.09814	3.4
278.10516	4.4
279.11288	28.6
280.12036	5.5
281.12863	11.2
282.13690	2.0
283.10754	4.9
284.11530	10.8
285.12344	37.6
287.14038	3.0
291.11359	17.0
292.11902	3.7
293.09540	2.9
293.12759	14.7
295.10880	2.6
296.11597	5.2
297.12344	48.4
298.12888	6.3
299.13892	6.6
307.10669	4.4
309.12289	20.9
310.13098	6.9
311.10208	6.1
311.13712	3.1
313.11765	2.8
315.13528	1.7
319.10745	12.6
321.12363	11.9
323.10236	11.9
325.11868	22.5
326.12485	2.0
327.13373	10.4
330.15839	2.0
332.17755	1.9
337.11829	61.1
338.12332	4.0
339.13556	7.6
341.15076	3.2
343.13068	4.6
357.14426	11.6
359.16031	3.2
369.14502	3.6
371.16113	3.0
373.14090	2.3
376.20023	2.2
385.13477	3.6
390.18152	2.4
392.19843	1.6
399.15390	1.4
402.18222	2.9
404.19717	5.3
412.16458	2.0
414.18500	1.6
418.17334	2.3
422.20657	3.0
430.17725	10.4
432.19394	6.5
442.17603	3.0
444.19162	1.8
446.20721	4.6
448.18649	27.5
449.19464	13.3
450.20166	12.8
460.18671	16.9
461.18967	3.4
462.19910	3.3
463.20303	1.6
472.18924	3.2
474.20175	4.9
476.18207	6.0
477.19211	6.7
478.19617	4.8
480.21387	2.3
487.17160	5.9
490.19785	41.7
491.20322	6.1
492.21457	8.8
522.22339	11.9
523.22852	4.4
594.24530	2.3
595.25543	12.2
608.25702	3.0
611.24512	4.2
612.25226	5.8
613.26569	100.0
614.26526	7.6
634.23224	1.7
636.25165	2.6
645.29449	9.5
652.25000	25.1
653.25800	12.2
654.26233	5.3
684.27600	5.9
685.28320	4.8
775.32019	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	807.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	3.3
69.03436	4.1
70.06597	4.7
71.50935	2.5
77.51051	1.8
79.05491	4.8
81.03434	4.4
85.02885	3.4
86.09716	14.3
91.05460	7.7
93.07034	8.9
94.06586	10.9
95.07328	5.3
95.08610	2.4
96.08148	12.9
97.02895	3.3
103.05471	3.5
105.07057	3.0
106.06577	2.6
107.04940	7.1
107.08640	3.5
108.04464	2.7
108.08144	14.3
109.02891	1.8
109.08849	2.1
110.09690	26.5
119.04920	1.8
120.08121	31.6
121.06498	2.1
122.06076	14.0
123.51678	1.9
124.07581	3.2
127.03926	2.6
129.75494	2.0
134.06021	3.8
136.07584	13.7
137.05025	2.1
137.05946	9.9
138.09158	34.7
146.06023	3.7
146.09691	2.2
147.04417	4.0
148.07597	9.6
150.09180	2.9
152.07047	7.1
160.03952	9.8
161.06007	2.6
164.07066	6.3
166.08650	43.9
166.09976	3.9
167.07028	7.8
168.10147	2.1
172.03961	5.9
173.45624	2.0
177.05472	2.8
178.92554	2.0
181.04823	3.3
190.05026	3.9
192.06633	2.1
199.08620	2.4
204.06540	13.6
210.11531	1.8
211.08746	3.7
211.12411	4.4
213.10251	3.6
219.17461	2.6
223.08673	2.6
223.12317	4.6
224.09331	2.0
224.13158	2.1
225.10281	17.3
226.10847	10.4
227.09149	3.3
227.11812	6.7
229.13077	1.9
235.08705	3.4
236.09419	2.2
237.10251	10.8
237.13991	2.7
238.10970	7.3
239.08116	6.4
239.11792	21.2
239.13963	3.6
240.12598	5.8
247.08148	1.8
249.10257	8.5
250.10970	10.5
251.08171	5.9
251.11807	23.9
252.08733	2.6
252.12532	6.9
253.09702	6.4
253.13371	17.2
254.10477	11.6
262.11584	2.0
263.11823	15.3
264.12689	9.8
265.09741	8.1
265.13351	23.7
266.10400	5.3
266.14206	3.7
267.11282	13.2
267.15198	2.5
269.12909	4.0
271.10858	2.9
271.14468	3.0
273.12088	2.7
277.09781	2.7
277.13422	2.5
278.10385	2.4
279.11295	22.5
281.12820	16.8
282.13562	4.2
283.10815	8.9
283.14203	4.5
284.11426	4.4
285.12363	25.2
286.12738	3.6
291.11429	8.8
292.11917	2.5
293.12714	10.8
294.13367	3.1
295.10898	2.4
296.11502	4.3
297.12369	20.6
298.12964	2.5
299.13992	17.2
309.12357	60.6
310.13162	8.9
311.10541	2.1
311.13898	29.1
319.10608	6.1
321.12302	8.1
323.09915	3.4
325.11795	11.6
326.12503	3.0
327.13412	100.0
328.13693	2.9
337.11856	23.4
338.12555	9.2
339.13412	17.9
341.14862	7.2
357.14453	7.2
358.15411	3.4
359.16183	11.7
369.14453	27.3
370.15143	4.6
371.16061	40.9
372.16428	3.5
386.18622	2.9
404.20139	6.0
414.18433	2.5
416.19678	16.2
430.17490	4.6
432.19333	11.3
448.18570	25.6
449.19260	3.8
450.20007	3.5
460.18750	59.5
461.19089	3.3
462.20227	2.4
471.18002	2.7
472.18637	2.6
474.19870	7.4
480.21350	54.3
490.20029	11.5
491.20590	3.9
492.21356	97.4
493.20898	3.4
522.22241	10.9
523.22876	6.9
524.23682	2.5
592.22247	2.8
594.23596	2.8
595.25336	6.3
613.26550	51.2
624.25464	4.2
627.27814	3.9
634.23743	7.5
636.26056	2.7
645.29401	10.2
652.24817	8.0
653.25348	3.8
685.27850	3.4
757.30963	3.8
775.31049	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	807.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10954	1.7
65.03935	3.3
67.05492	4.7
69.03429	7.0
69.07062	3.9
70.06597	4.8
71.50900	3.9
71.51282	2.5
77.40527	1.8
79.05499	6.4
81.03423	4.1
81.07054	3.8
83.08628	1.9
84.08150	2.3
85.02900	9.4
86.09705	4.3
91.05479	7.0
93.07040	6.4
94.06568	9.1
95.04948	2.9
95.07329	3.4
96.08133	10.1
97.02881	4.9
100.07660	3.5
100.11264	8.0
103.05485	5.4
105.07034	2.4
106.06541	2.7
106.32274	1.8
107.04938	6.0
107.08581	1.9
108.04448	1.8
108.08109	19.1
109.02876	4.5
110.09701	15.4
111.04443	2.2
115.05403	2.1
117.07016	2.3
118.06527	2.2
119.04929	3.3
119.08557	2.0
120.04482	2.9
120.08123	17.2
122.06013	14.9
122.09679	5.0
123.04404	2.5
124.07598	6.0
127.03915	4.6
129.05524	2.6
131.04948	5.3
131.13101	1.9
134.06062	3.1
136.07584	32.0
137.05994	11.3
138.05548	2.7
138.09146	24.8
144.04501	2.5
145.06505	3.1
146.06009	5.4
147.04396	4.8
148.07574	16.7
150.09166	12.3
151.03899	5.8
151.07460	2.5
152.07080	23.0
160.03969	2.0
160.07634	3.1
162.05560	2.8
164.07039	9.6
166.08658	46.2
167.07043	22.0
172.03975	19.5
173.05983	4.6
176.07089	4.5
177.05536	3.4
181.04987	10.2
182.15453	4.8
190.05023	13.2
191.07030	4.4
194.08118	2.7
196.09953	2.1
198.11601	2.7
204.06522	27.7
209.08131	2.6
210.11482	2.9
210.14906	8.9
211.08676	2.0
211.12323	6.8
212.12985	2.4
223.12286	6.7
225.10205	12.1
225.13821	2.1
226.11043	5.3
227.11824	5.9
229.13419	2.8
235.12187	3.6
237.10277	8.3
238.10944	9.3
239.11763	10.6
246.07654	4.3
249.10233	8.7
250.10947	8.3
251.08307	2.0
251.09096	2.2
251.11832	18.2
252.09035	2.2
252.12602	5.1
253.09789	4.8
253.13330	7.4
255.11285	6.2
256.12183	3.1
259.14493	2.3
262.11066	3.0
263.11804	18.9
264.08728	3.0
264.12711	4.2
265.09671	8.2
265.13364	9.0
266.10483	6.8
267.11310	28.2
267.70633	2.3
269.12830	8.0
271.10794	2.9
271.14386	4.4
273.12265	3.7
277.09851	3.6
277.13260	2.2
278.10477	5.5
279.11319	32.3
280.12012	5.2
281.12808	12.2
283.10660	5.7
283.14273	2.1
284.11551	12.5
285.12372	35.0
287.05475	3.4
287.14047	3.3
291.11325	15.0
292.12213	3.5
293.09549	3.1
293.12790	16.5
295.10681	6.0
296.11447	9.1
297.12350	46.2
298.13156	6.8
299.13934	6.2
307.10617	2.7
309.12418	18.1
310.12936	5.3
311.10190	6.1
311.13928	5.6
313.11679	2.5
319.10703	8.1
321.12393	12.3
323.10144	13.9
324.11145	2.5
325.11807	23.6
327.13464	17.3
328.13992	3.1
337.11807	47.4
338.12360	3.4
339.13452	6.6
341.11661	2.3
343.12946	3.5
355.12628	3.1
357.14273	13.5
369.14407	5.6
370.15695	2.0
371.15982	4.1
372.17255	2.4
385.13892	3.8
387.14816	2.6
400.16202	2.4
402.17850	3.0
404.19873	5.0
412.16400	3.3
417.15591	2.4
418.17316	4.3
422.20618	3.8
430.17603	8.8
432.19150	6.1
442.17188	2.7
444.19138	2.5
446.21097	4.2
448.18628	29.3
449.19357	18.9
450.20322	15.6
460.18829	19.0
461.18668	2.6
462.20279	5.3
472.18619	3.8
474.20242	4.9
476.18320	4.0
477.18954	10.1
478.19690	7.7
480.21060	4.7
487.17087	5.8
489.18173	2.2
490.19785	41.7
491.20297	5.0
492.21448	11.2
519.19757	2.5
522.22113	14.8
523.22668	4.2
594.23822	2.2
595.25549	13.9
608.26318	2.1
611.24182	7.0
612.25385	8.8
613.26648	100.0
614.26428	6.3
624.24518	2.4
634.23199	3.0
636.25079	3.2
637.91327	2.2
645.29175	8.7
646.29279	2.4
652.25018	25.4
653.26282	12.6
654.26428	5.7
666.26257	2.2
684.27264	8.4
685.28107	6.5
775.31598	24.2
807.31934	4.3
807.56494	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	807.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52300	2.8
67.05485	6.7
69.03435	7.9
70.06593	23.1
71.05001	4.0
71.11860	4.6
72.08150	4.7
79.05491	11.1
80.05016	4.0
81.03414	9.0
81.07049	5.7
84.08143	7.7
85.02912	11.4
86.09696	7.0
91.05492	13.7
93.07055	18.1
94.06573	20.4
94.66319	2.6
95.04956	5.1
95.07350	10.4
95.08592	4.7
96.08134	29.1
97.02882	4.6
103.05486	5.2
105.07027	5.1
106.06542	8.2
107.04963	10.8
107.07379	3.8
108.04488	4.8
108.08133	52.8
109.02889	8.8
109.08905	2.7
109.10153	3.5
110.07162	2.7
110.09680	51.0
118.06554	4.3
119.04926	3.5
119.08587	3.4
120.04446	4.3
120.08115	45.2
121.06535	3.0
122.06045	20.7
122.09653	6.9
124.07591	16.0
127.03899	12.9
129.10249	3.9
131.04915	5.4
132.08073	6.3
134.06020	8.2
134.09695	3.8
135.04448	2.7
136.07588	56.9
137.05981	14.8
138.05458	3.5
138.09140	69.5
144.04445	7.2
145.06561	2.5
146.05997	16.4
147.04420	3.2
148.07573	26.2
149.05904	3.5
150.05545	4.7
150.09138	10.8
151.03894	3.6
152.07079	28.3
153.05473	3.8
160.03937	10.5
160.07570	6.2
161.05983	7.2
162.05528	7.9
162.09128	4.3
163.03889	22.5
164.04292	7.9
164.07042	14.0
166.08652	83.2
167.07085	9.0
171.68774	2.5
172.03937	36.4
174.05504	3.3
174.09187	4.1
175.07509	3.3
176.07133	3.7
178.08672	3.7
181.04996	6.4
184.09943	3.1
190.04968	22.8
190.08575	2.8
194.08150	5.1
197.10744	5.0
198.09166	2.8
198.11536	6.5
199.08714	3.4
204.06552	41.3
207.06430	2.7
208.09731	9.5
209.10793	4.5
210.11403	9.8
211.12317	26.1
212.13008	4.6
213.10228	9.8
214.08495	3.4
221.10640	2.9
223.08667	6.0
223.12300	14.0
224.09299	4.6
224.13182	2.8
225.10269	29.2
225.13885	3.7
226.10919	16.8
227.11835	24.2
229.13249	4.4
233.10802	3.0
235.08588	5.6
235.12354	5.7
236.09525	5.4
237.10202	24.0
237.13826	8.7
238.11008	16.7
239.08020	7.8
239.11810	63.6
240.12537	13.3
241.13367	5.8
249.10175	23.7
250.10916	16.3
251.08301	8.1
251.11780	65.0
252.08913	5.2
252.12459	14.0
253.09799	15.1
253.13367	25.2
254.10504	12.3
255.11296	8.4
263.11801	40.4
264.09000	3.8
264.12589	16.1
265.09738	27.2
265.13348	42.6
266.10513	17.4
266.14114	7.9
267.11295	52.7
267.14609	4.1
268.11887	7.6
269.13000	12.8
271.10825	5.0
271.14462	8.9
273.12366	6.2
273.69473	3.1
274.10913	3.4
275.11710	5.6
276.12436	3.4
277.09784	11.5
277.13309	3.0
278.10532	15.0
279.11298	71.4
280.12076	12.0
281.09744	5.0
281.12787	29.1
283.10776	13.2
283.14407	7.9
284.11694	5.2
285.12354	30.2
286.13034	3.7
287.05490	6.1
287.13889	3.9
291.11365	29.6
292.11877	15.1
293.09592	4.2
293.12744	27.2
295.10764	10.5
295.14151	3.8
296.11557	8.4
297.12344	38.7
298.13089	4.2
299.13940	31.1
307.10681	11.5
309.12354	58.0
310.12860	27.8
311.10385	2.9
311.13855	51.2
313.11813	3.3
319.10822	17.6
321.12350	11.1
323.10223	8.0
323.13785	3.8
325.11798	19.2
327.13385	93.0
328.14001	7.6
331.20544	2.8
336.14786	3.0
337.11819	21.3
338.12714	5.6
339.13373	28.1
341.15021	11.5
343.12900	5.4
351.13434	6.2
353.11102	4.3
353.15027	8.5
354.12943	3.2
355.12958	3.9
356.14069	3.3
357.14456	16.9
358.15240	8.0
359.16156	13.9
360.16696	3.6
363.13574	4.6
369.14490	32.5
370.15106	5.3
371.11783	3.8
371.16016	39.1
372.17010	7.7
381.14331	6.5
383.16058	4.8
384.17691	2.9
386.14377	4.1
387.15543	3.9
390.17920	3.0
393.14667	3.9
395.16202	6.4
399.15466	9.0
400.16391	8.2
401.16757	3.4
402.18185	7.0
404.19690	6.2
411.15366	12.8
412.16370	4.3
413.17203	6.5
416.19876	12.7
418.17319	7.2
423.15344	5.4
425.17502	3.5
427.15082	4.0
428.15363	3.5
429.16547	9.5
430.17569	13.2
431.18097	6.5
432.19077	10.9
433.19589	7.4
435.15427	3.7
439.15244	6.9
441.16711	11.6
442.17615	6.2
443.17874	4.8
445.15137	2.9
447.17099	3.1
448.18567	20.6
451.14914	5.4
453.16574	8.9
457.16537	3.1
459.17551	8.8
460.18582	44.5
461.19406	3.3
463.15054	5.8
464.21860	4.6
469.15912	13.5
471.17712	10.4
472.18515	6.3
474.20279	6.0
480.21304	42.4
481.15891	13.6
481.22244	4.3
483.17941	3.3
487.17157	6.8
490.19531	4.3
492.21344	100.0
493.21832	3.5
499.17065	8.5
501.18991	4.1
511.16525	3.1
532.20978	4.3
556.20691	4.7
568.18860	3.1
572.23840	6.5
574.21588	6.6
586.21906	4.0
590.24670	6.2
592.22900	12.9
593.23291	5.2
594.24097	9.0
595.25195	8.0
604.22797	8.5
606.24536	5.6
608.25928	21.4
610.23676	5.0
613.26593	24.0
616.22589	8.7
620.22644	3.3
621.23004	4.1
622.23853	11.4
624.25262	5.0
634.23962	80.6
635.23706	13.3
636.25372	14.0
645.28589	5.8
652.25067	89.3
653.25696	14.4
654.26685	5.2
655.26910	4.5
666.26691	16.6
667.26801	5.9
684.27698	17.4
685.28192	8.8
693.29346	5.2
721.28650	12.6
739.29333	9.5
757.30762	43.4
758.31085	3.8
775.31989	23.1
776.32098	5.5
789.32306	6.0
807.33868	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	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	12.5
57.07061	2.6
61.02951	1.7
65.03941	1.7
67.05508	46.7
69.03421	3.3
69.07077	11.8
71.05000	8.9
71.52292	1.9
74.29530	1.8
79.05500	31.7
81.03407	1.9
81.07060	46.2
83.04971	2.6
83.08620	6.7
85.02918	2.9
85.06548	2.8
88.75771	1.6
91.05482	22.1
93.07049	41.9
93.73254	1.5
95.04939	2.8
95.08613	35.5
97.06504	2.5
97.10181	3.4
97.79420	1.9
105.07042	20.5
107.08601	25.6
109.06515	2.8
109.10165	14.6
111.08105	3.7
117.07030	6.8
119.08600	15.4
121.10155	18.4
123.08060	2.5
123.11703	4.4
129.07031	2.5
130.08640	2.0
131.08607	10.7
133.10127	12.1
135.11684	11.5
137.09615	3.0
143.08559	2.5
145.10130	12.3
147.11688	7.2
149.13287	4.9
157.14398	1.6
159.11707	6.8
161.13260	6.7
163.14912	3.0
171.11736	2.6
173.13255	6.1
175.11194	2.0
175.14845	3.3
185.13197	1.9
187.14827	4.8
205.15855	2.7
211.14812	2.0
241.19476	2.6
259.20636	6.6
261.22122	3.4
276.20447	2.0
277.21732	13.6
306.27829	2.6
317.24759	1.7
333.24384	1.7
335.25827	100.0
336.26178	6.7
337.26547	2.5
351.25311	42.9
387.29318	2.1
421.25012	2.1
547.86096	1.6
611.46698	43.0
612.46832	4.1
654.36560	1.8
667.53406	1.8
808.52563	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	808.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	16.9
57.07079	4.3
62.81135	4.4
67.05178	7.6
67.05510	94.9
69.03423	4.7
69.07069	21.0
70.63791	7.4
70.64162	10.1
79.05500	91.0
81.07059	89.7
83.05006	5.1
83.08625	13.3
85.02887	6.3
91.05486	76.2
93.07053	97.3
95.04977	10.3
95.08064	6.9
95.08611	69.0
97.06557	5.8
97.10104	4.7
99.08070	5.4
105.07041	76.1
107.08607	45.4
109.10170	23.9
117.07040	21.8
119.08595	62.0
121.10128	39.1
123.11701	7.5
129.07019	10.3
131.08586	31.2
133.10153	39.2
135.11693	27.0
143.08560	10.4
145.10132	30.5
147.11684	41.9
149.13268	16.1
157.10175	10.2
159.11690	24.8
161.13281	27.2
163.14909	5.6
169.10153	6.4
171.11685	16.0
173.13258	18.1
175.14806	12.1
185.13269	8.7
187.14896	10.6
199.14865	6.1
209.01740	4.5
213.16342	6.2
215.17885	4.8
239.17967	6.7
241.19566	26.2
243.07965	4.4
257.19089	11.2
259.20596	66.3
261.22198	13.1
315.23315	8.2
333.24265	54.7
335.22076	7.1
335.25854	100.0
593.45544	14.6
611.46631	58.9
755.79205	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	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.1
57.07064	2.3
61.02911	3.7
63.19779	1.2
64.54891	1.1
65.03938	5.6
67.05507	88.6
69.03430	3.8
69.06744	1.3
69.07076	23.7
70.76525	2.9
71.04977	3.3
73.02896	2.2
79.05495	62.1
81.03418	3.6
81.07059	80.9
82.07391	1.6
83.04971	5.4
83.08618	15.0
85.02905	4.0
85.06535	2.9
91.05485	46.8
93.07048	71.7
95.04984	8.3
95.08611	58.9
97.02898	3.8
97.06530	7.4
97.10183	7.2
99.08097	3.4
103.05499	1.5
105.04542	2.5
105.07037	36.9
107.08599	42.5
109.06504	4.4
109.09474	2.5
109.10165	29.2
111.08096	3.1
117.07011	13.8
119.07814	2.2
119.08591	30.2
120.08878	1.7
121.06483	2.1
121.10147	26.7
123.08069	3.2
123.11711	6.7
125.09612	3.3
129.07005	5.0
131.08568	18.2
133.10130	25.8
135.11707	17.5
137.09622	1.9
137.13206	2.2
139.11142	2.1
143.08554	5.5
144.09315	1.4
145.10143	14.5
147.11694	20.2
149.09656	2.4
149.13278	10.6
151.11093	2.1
157.10117	4.5
159.11694	14.2
161.09584	1.5
161.13234	12.0
163.13506	1.4
163.14812	5.1
165.12794	2.4
171.11668	4.3
173.11908	1.7
173.13220	8.5
175.14946	6.2
175.16144	1.2
177.12801	1.7
179.14227	1.7
185.13261	5.6
187.14824	4.8
189.11177	1.8
189.12703	1.8
197.13199	1.9
199.14792	3.3
201.16460	2.0
205.15939	1.4
209.40727	1.4
213.16501	2.3
221.15451	2.2
227.12805	4.0
229.14380	1.9
231.21126	2.3
241.19550	6.4
243.15540	1.3
243.21098	2.8
259.20590	18.5
261.22079	11.1
277.21646	17.8
306.28076	1.7
315.22946	2.9
317.24765	1.7
333.24280	15.0
334.08078	1.3
335.25824	100.0
336.26196	3.1
337.27454	2.0
351.18555	1.5
351.25320	38.3
489.35574	3.5
529.38690	1.9
611.46704	38.9
612.46490	2.5
629.47211	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09455	0.3
65.03938	2.8
67.05489	0.7
68.06306	0.3
69.03409	1.0
70.89293	0.3
72.08140	0.3
73.99328	0.3
78.04720	2.9
79.05515	1.8
80.27280	0.3
81.03399	0.8
81.07048	0.8
81.30767	0.3
82.04208	0.5
84.08115	0.4
85.02917	1.7
86.09692	1.3
91.04982	0.5
91.05490	6.0
93.03393	1.3
93.07008	0.3
94.04172	0.5
95.04971	1.5
96.05689	0.4
97.02884	0.5
97.06514	0.5
103.05470	2.7
105.03386	0.5
105.07020	0.8
106.04186	2.1
106.73232	0.3
107.04971	3.0
108.02059	0.3
108.05373	0.3
109.02882	0.6
110.03664	1.4
111.04449	0.9
115.05461	5.9
116.06269	0.4
117.06236	0.5
117.07030	10.0
119.04945	4.1
119.08540	0.4
120.08089	1.0
121.06519	0.6
122.03638	1.2
123.04433	8.4
124.05222	2.3
125.05984	1.4
127.03902	0.8
127.05436	1.8
128.06206	0.4
130.04089	0.4
131.04916	1.4
132.05685	0.3
133.02809	0.4
133.06485	0.6
134.03664	0.4
135.04395	0.5
137.05986	10.9
138.03142	0.5
142.02615	0.9
143.04893	1.0
144.05687	0.4
145.06494	13.4
147.04411	5.1
147.08069	0.6
149.05992	0.5
151.03938	3.0
151.07523	1.1
152.04686	2.4
153.05432	2.5
155.04916	0.4
155.06041	7.1
157.06517	0.4
160.05238	0.8
161.05975	1.3
163.03943	0.4
163.07526	0.6
165.05487	0.7
167.07047	100.0
168.07385	1.9
171.04367	0.6
171.06569	1.3
171.39912	0.3
173.05994	26.2
174.06500	0.5
175.07565	1.3
177.05464	0.8
179.07031	1.4
181.04964	33.7
182.05316	0.5
189.05553	0.4
191.07040	1.1
200.04608	0.3
201.05522	0.7
203.05374	0.4
203.07059	1.6
205.08612	4.5
209.08028	0.5
217.08458	0.4
219.06497	0.6
220.07187	0.5
231.06557	0.6
233.08067	4.4
235.07573	0.5
235.09682	5.5
239.13968	0.3
248.08292	0.4
265.08698	0.8
267.06708	0.4
283.09744	0.4
287.05627	0.6
292.07260	0.4
293.08099	0.6
295.06036	0.3
295.09702	0.3
297.11334	0.5
310.08224	0.3
325.10715	0.6
353.10098	0.4
357.13324	3.8
370.95569	0.3
385.12830	16.8
386.13342	0.9
387.14343	5.8
417.15463	10.3
570.61981	0.3
583.21863	3.1
613.22815	65.0
614.22986	3.9
809.30414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3159
Annotation	Hedyotisol A
Peak:m/z	Relative Intensity
65.03899	1.6
67.05507	2.3
69.03423	4.7
70.06600	10.5
70.90598	3.4
71.05013	2.8
72.08139	2.6
73.02906	1.7
81.03423	4.1
81.07040	3.4
83.04975	1.8
84.04506	1.7
84.08141	6.5
85.02916	5.3
86.09714	6.0
91.05485	3.1
93.07052	3.3
95.08604	3.4
97.02882	2.4
100.11237	1.8
103.05477	2.6
105.07061	2.5
107.04971	2.8
109.02896	4.2
109.10171	3.0
109.98278	1.5
110.07201	2.3
111.04469	2.0
111.70827	1.6
117.07050	1.6
120.08131	4.2
121.06471	1.8
123.04413	2.3
127.03900	5.4
129.10278	4.9
131.04941	2.8
135.04437	1.7
136.07646	2.8
137.05986	9.1
138.06335	2.2
145.04951	2.3
147.04424	6.1
161.06114	1.5
163.03844	3.1
167.07056	6.3
168.07561	1.7
177.05574	2.5
181.05064	3.0
235.12445	5.5
285.23596	1.5
297.11212	3.0
342.19821	5.8
358.55295	2.0
361.11438	2.0
364.18039	1.9
370.19183	3.4
374.98294	1.7
380.17325	1.9
382.19055	3.4
392.17392	2.4
408.16910	2.2
410.18555	2.4
438.18283	1.5
468.19144	2.8
542.19397	3.3
614.25092	5.2
615.23761	5.1
616.22760	21.2
640.23083	3.7
656.21954	2.0
657.22845	7.0
658.23059	3.9
779.28961	55.2
780.29114	4.9
811.31531	100.0
812.31799	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	813.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37519	1.1
69.45578	2.5
69.45987	7.1
79.67815	1.2
110.17706	1.3
120.94441	1.2
184.07510	1.7
215.44203	1.5
378.65134	1.4
535.26813	1.9
813.49213	100.0
814.49670	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	813.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
61.02929	6.4
67.05508	6.2
69.03436	3.9
69.07069	1.2
71.01345	0.6
71.05020	0.4
71.35807	0.7
73.02920	4.9
79.05489	4.7
81.03423	1.6
81.07063	5.7
83.08624	0.7
83.57056	0.4
85.02919	5.6
87.04507	0.5
91.03955	3.7
91.05490	4.2
93.07058	5.8
95.08613	4.7
95.50055	0.4
97.02908	5.1
99.04507	0.7
101.02383	3.3
105.04546	0.4
105.07043	2.9
107.08573	3.5
109.02900	0.9
109.10171	1.3
117.07030	0.8
119.08615	1.7
121.10126	2.4
127.03951	1.9
131.08620	1.6
133.10185	1.4
135.11742	1.2
145.10095	0.6
147.11722	0.7
159.11742	0.7
162.83133	0.4
163.57384	0.4
171.11771	0.6
185.04216	0.6
203.05328	0.6
243.08438	3.1
301.08990	0.9
315.10535	0.6
317.21149	0.6
335.26105	0.5
373.11020	0.5
502.55817	0.6
519.29364	10.9
520.29468	0.8
535.28845	4.4
591.31622	0.6
715.42737	0.6
720.93439	0.5
813.51208	100.0
814.51624	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	813.512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.2
61.02934	6.7
67.05510	6.6
69.03429	5.1
69.07079	2.2
71.52287	2.2
73.02915	5.5
77.62774	1.1
79.05499	4.1
81.03416	1.5
81.07055	8.5
85.02909	5.7
87.90727	1.1
91.03989	1.8
91.05508	2.8
93.07043	7.1
95.05020	1.4
95.08614	6.0
97.02881	6.3
101.02408	2.0
105.07040	3.2
107.08623	2.5
109.06566	1.4
109.10181	2.4
121.10148	3.2
127.03935	1.7
131.08615	2.0
133.10188	1.9
133.49930	1.1
135.11707	2.0
144.73555	1.3
145.10158	1.3
149.09583	1.1
155.55252	1.1
184.07382	2.3
243.08321	2.4
371.97394	1.2
519.29181	8.5
535.28650	5.5
813.51227	100.0
814.51447	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	814.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.8
69.03423	3.5
70.06591	1.6
71.04977	1.1
71.50734	0.7
71.51140	1.4
79.05537	0.8
81.02989	1.2
81.03425	11.6
84.08161	0.9
85.02912	4.4
86.09709	1.4
91.05486	100.0
91.18077	0.8
92.05830	1.2
95.08646	0.9
97.02929	3.5
99.04462	5.1
107.04967	16.4
108.00470	0.7
109.02887	17.7
115.05441	6.5
116.33300	0.7
117.07057	2.5
119.04985	2.7
127.03926	48.2
128.04257	0.9
131.08565	0.7
133.06439	1.4
143.04930	2.0
145.04984	12.3
145.06512	1.4
151.01158	0.9
161.05989	16.3
169.04976	21.1
171.04417	6.4
175.07634	1.9
179.07059	7.9
187.06062	5.2
193.08615	50.6
194.08997	0.9
203.07048	2.5
221.08252	1.3
229.07109	2.4
235.09731	1.0
239.09117	2.3
240.35403	0.7
247.08109	3.4
263.09232	2.3
269.08011	1.1
281.10257	2.0
305.10141	1.2
329.10187	1.0
333.09738	1.9
347.11203	4.5
365.12268	2.2
375.10858	3.8
389.12634	1.3
407.13373	10.1
467.15414	3.6
474.57379	0.8
787.17749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2182
Annotation	Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
57.03423	0.7
60.54484	0.3
61.02915	0.9
63.02381	0.3
65.03931	1.5
67.01831	0.3
68.99799	0.4
69.03429	3.3
70.06577	1.1
71.04989	0.5
71.51048	0.5
72.08173	0.5
77.03928	0.5
79.05486	0.5
81.03420	6.5
84.08127	0.8
85.02906	6.9
86.09685	0.3
89.03910	0.7
91.05482	16.8
92.05825	0.4
97.02898	3.6
97.28883	0.2
99.04451	1.1
103.05489	0.5
104.69022	0.3
105.03388	0.9
105.06982	0.3
107.04922	0.7
109.02880	9.9
111.00845	0.3
119.04945	24.4
121.02864	6.4
127.02991	0.4
127.03915	6.8
129.03328	0.5
131.04933	0.6
132.02084	1.1
133.02858	1.3
133.06528	0.3
135.04413	0.6
136.05240	0.4
137.02325	1.0
137.05998	0.5
139.03874	0.4
145.02844	0.9
145.04950	0.8
147.04411	21.3
148.04720	0.4
149.02335	1.0
153.01825	2.1
157.03955	2.4
161.05975	0.4
162.03065	0.4
163.06102	0.3
163.07602	0.3
164.04732	0.7
165.01833	1.2
167.07033	0.3
169.04976	0.9
175.03908	39.1
176.04231	0.7
177.05460	0.8
179.07031	2.2
183.02975	0.5
185.05986	0.5
187.06007	2.6
192.04251	0.6
205.06963	0.5
207.06529	100.0
208.06860	1.9
213.05530	0.8
225.07552	0.4
229.07086	0.5
231.06522	0.6
241.04956	1.2
247.08182	2.8
275.05969	0.3
287.05499	66.7
288.05798	1.7
329.06653	0.5
351.10745	7.3
351.15115	0.4
369.11819	6.1
522.54254	0.3
717.46289	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.9
67.05510	43.8
69.07081	12.8
78.97998	2.0
79.05507	29.4
81.07068	53.8
83.08613	7.5
85.06528	2.5
89.34473	1.8
91.05493	17.8
93.07049	35.5
95.08618	48.1
97.10156	3.5
101.46542	2.1
105.07040	12.5
107.08615	26.5
109.10152	20.2
111.08112	2.4
117.07035	5.5
119.08595	13.9
121.10163	23.9
123.11710	9.0
131.08537	11.0
133.10156	12.8
135.11700	14.9
137.13234	3.1
145.10103	8.5
147.11696	9.1
149.13254	12.8
159.11737	9.2
161.13245	5.9
164.58363	2.3
173.13287	7.8
177.16281	2.6
182.18445	2.1
184.07362	5.1
187.14784	3.7
191.53624	2.4
225.24237	2.4
229.19589	2.5
241.19577	2.7
243.21181	6.8
259.20584	6.6
261.22205	19.0
302.99030	2.1
317.24875	3.2
333.24420	4.7
335.25845	100.0
337.27377	5.9
595.47430	11.4
613.48578	5.3
642.68530	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	818.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	9.9
59.76260	2.9
67.05506	57.9
69.03424	4.5
69.07044	8.4
69.19139	31.1
69.87448	3.3
79.05489	30.0
81.07053	54.4
83.08640	4.6
86.09751	3.8
91.05481	20.0
93.07053	37.7
95.08604	44.3
97.10191	3.5
105.07035	19.7
107.08598	16.7
109.10168	20.6
117.07088	4.1
119.08566	14.0
121.10126	22.4
123.11739	8.3
131.08577	12.3
133.10129	9.2
135.11702	11.2
145.10176	7.8
147.11668	11.1
149.13251	10.2
159.11722	10.8
161.13358	5.1
163.14841	3.9
173.13219	7.5
184.07364	8.3
187.14857	3.4
189.53450	3.6
189.55684	3.0
193.36639	3.1
243.20930	3.1
259.20560	6.9
261.22144	18.3
333.24313	3.6
335.25821	100.0
337.27274	4.4
595.46991	12.5
613.48767	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	818.6198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07081	26.4
57.23383	1.5
57.57151	1.8
59.04987	2.1
69.07056	5.8
71.08640	27.1
71.52254	2.1
73.06553	8.2
81.07051	1.6
83.08611	3.8
85.10189	16.7
87.04475	11.3
89.06038	100.0
93.07047	2.2
95.08630	3.6
97.10169	7.4
99.11750	2.3
107.07020	1.9
109.10202	2.0
111.11717	3.2
117.09151	7.8
130.08670	2.2
131.07021	2.6
133.08615	48.9
159.93245	1.9
161.11703	2.3
175.09727	2.4
177.11235	18.5
184.07346	2.6
191.61311	1.8
211.24335	2.8
221.13818	4.8
224.46655	1.6
238.33171	1.7
299.29471	4.9
313.27231	1.8
343.32004	3.9
527.26331	1.8
574.44531	1.8
818.61566	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	0.8
70.06590	1.0
70.54240	2.3
72.08166	0.7
79.05496	1.1
81.03421	1.9
81.07050	0.9
81.42367	0.7
85.02913	1.6
91.05510	1.5
93.05828	0.9
93.07029	1.4
94.06569	2.9
95.08622	0.7
95.45384	0.7
96.08137	1.1
97.02936	0.7
98.21300	1.2
103.05485	1.3
106.06548	0.9
107.04974	1.2
108.08147	6.7
109.02886	1.7
110.09705	2.2
118.06527	0.7
120.04492	1.4
120.08121	3.9
122.06046	3.4
122.09687	2.2
127.03947	1.3
132.08080	0.7
134.06032	0.8
134.09697	0.8
136.07578	8.2
137.05933	1.5
138.09171	3.2
146.06017	0.9
147.04420	1.1
148.07614	3.4
150.09193	2.3
152.07089	1.2
164.07101	1.8
166.08676	4.9
167.07185	0.9
168.10286	0.8
172.03975	0.8
180.10225	0.9
187.20464	0.7
199.12541	0.7
209.10797	0.7
211.12378	1.0
213.10236	1.3
223.08797	0.8
223.12389	0.8
225.10219	3.5
226.11104	0.8
227.11800	2.3
235.08572	0.9
236.09621	0.7
237.10208	4.2
238.11122	1.4
239.08215	1.1
239.11839	4.9
241.09726	0.8
249.10228	3.7
250.10976	1.3
251.08194	1.4
251.11830	4.6
252.09143	0.9
252.12468	1.3
253.09744	4.0
253.13445	1.9
255.11365	2.4
261.10284	1.2
263.08282	0.9
263.11905	3.3
265.09818	5.1
265.13483	1.2
266.10617	1.7
267.11337	9.6
268.12253	0.7
269.12854	2.0
271.10852	1.4
277.09793	2.1
278.10550	1.7
279.08264	1.3
279.11285	8.1
280.12109	1.7
281.09558	1.4
281.12961	4.3
283.10919	1.2
285.12350	1.0
287.14041	0.7
289.09750	2.0
291.11356	2.7
292.12225	0.9
293.09299	2.6
293.12949	6.0
294.10034	1.8
295.10834	2.4
295.14493	2.3
296.11591	1.6
296.89627	0.6
297.12360	3.0
305.12958	0.8
307.10880	3.7
309.12344	3.7
311.13916	1.9
313.11813	1.0
314.12729	1.0
315.13611	0.8
316.14670	1.1
317.09250	0.8
319.10992	1.0
321.12347	2.0
323.13931	2.0
325.11893	2.8
326.12723	1.7
327.13470	2.9
329.15298	1.1
335.10236	1.2
337.11938	1.2
339.13489	4.9
340.14236	1.1
341.14954	6.2
353.11475	1.3
354.12424	0.7
354.16168	0.7
355.13226	0.8
358.15616	1.1
362.18689	0.8
367.13019	1.7
371.16431	0.9
372.17307	1.6
381.14526	3.3
386.14728	1.0
386.19278	0.8
393.14725	0.9
396.17627	0.7
397.13849	1.0
398.14902	1.0
399.15799	1.0
400.16309	1.4
402.18167	0.9
409.13940	1.5
411.15900	1.6
423.15509	1.2
432.19308	0.8
433.14307	1.0
437.13232	1.0
441.16644	4.2
442.17599	1.5
451.15277	1.3
453.16824	0.9
458.16934	0.9
460.18613	1.0
461.13611	0.9
461.19638	1.0
469.16187	2.0
471.17825	0.9
474.20023	1.1
476.21954	1.0
479.14645	2.1
483.17841	2.2
497.15445	0.8
499.17282	0.8
501.19003	7.2
502.19897	1.2
511.17126	2.7
516.21582	1.4
529.18665	2.3
548.24512	1.0
576.23651	2.3
604.22937	3.0
608.25781	1.6
621.22986	1.9
623.24615	1.8
624.25995	1.5
632.22192	2.2
636.25665	11.4
637.26154	1.2
664.25079	60.4
665.25629	4.2
682.26428	1.1
696.27667	100.0
697.28082	7.9
731.14984	0.8
755.29254	5.6
756.27942	0.7
819.44873	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03197	1.4
57.03444	15.0
57.07079	51.8
61.02930	13.7
65.03913	1.4
67.05512	30.9
69.07066	7.2
71.52110	1.9
73.02902	5.8
74.06366	1.2
79.05154	1.2
79.05501	16.6
81.03419	1.9
81.07059	30.3
83.04933	1.3
83.08591	4.9
85.02906	14.7
86.09665	1.2
89.06025	5.9
91.03967	11.0
91.05483	10.6
93.07053	24.3
95.04961	1.3
95.08609	24.1
97.02903	7.4
97.06537	1.8
97.10179	2.4
99.04448	1.7
103.07589	2.2
105.07050	8.9
107.08608	11.9
109.06518	2.0
109.10159	13.9
111.08063	1.6
116.63931	1.3
117.06980	3.8
119.08601	6.7
121.10172	10.3
123.11674	3.3
127.03869	3.2
127.11192	14.8
128.60791	1.4
131.08620	6.2
133.10123	5.3
135.11688	9.9
145.04955	6.3
145.10112	3.6
145.12224	3.9
147.11703	3.2
149.13258	4.7
159.11690	3.5
161.13264	3.7
163.05969	6.1
163.14809	3.4
173.13300	3.6
177.16374	1.7
184.07283	2.0
187.14781	2.6
201.14870	100.0
233.22583	1.7
243.21031	8.0
261.22174	27.5
289.17999	1.6
316.23157	1.2
317.24664	5.6
335.25821	58.0
336.26288	3.0
346.02921	1.5
390.60388	1.4
461.30121	1.8
461.36279	31.2
462.36673	2.0
479.37442	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	820.593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	7.1
66.58475	6.3
67.05516	39.7
69.07057	8.7
76.97824	5.9
79.05488	16.9
81.07077	41.8
82.83028	7.2
91.05467	18.0
93.07043	23.7
95.08613	32.6
96.62169	6.0
105.07040	13.4
107.08607	15.9
109.10127	13.6
121.10148	14.2
123.11704	7.5
131.08504	8.4
133.74977	6.5
135.11671	14.2
147.11694	7.1
261.22052	13.6
335.25845	100.0
336.26199	28.3
337.27081	9.2
595.46655	14.5
597.47125	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	821.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.1
67.05496	2.2
68.21287	1.1
69.03431	2.0
70.06588	1.1
71.51079	1.6
79.05493	7.5
80.05016	2.1
81.03428	5.8
85.02439	1.0
85.02881	5.3
91.05477	12.8
93.07037	5.0
94.06577	2.8
95.04996	2.5
96.08160	1.5
97.02896	3.1
99.04475	1.1
103.05465	4.1
105.05769	1.7
105.07035	1.6
106.06524	2.8
107.04947	3.9
108.04476	4.6
108.08138	4.0
109.02879	4.6
115.05476	1.4
117.07073	1.4
118.06554	2.9
119.07341	1.4
120.08112	33.8
122.06100	1.7
124.07584	12.7
127.03933	7.1
133.06422	1.1
136.07640	1.2
140.07091	1.7
145.06476	1.3
146.06006	5.9
146.09642	2.3
148.07585	47.2
152.07089	24.7
156.23079	1.0
161.05971	3.0
168.06624	5.2
171.04433	1.6
174.05505	2.8
179.07005	1.2
181.08810	1.4
187.06012	1.2
195.10477	2.2
197.10727	3.2
199.08720	1.2
199.12299	1.3
204.06531	1.5
206.08110	6.6
208.11194	1.7
210.11090	1.3
210.12897	1.4
211.08687	10.9
211.12222	5.4
212.09492	3.1
212.13052	2.3
213.10277	3.6
221.10706	2.0
223.12340	1.2
224.09346	2.3
225.06784	1.2
225.10252	11.9
225.13847	1.8
226.10870	2.1
227.11824	2.4
227.15395	9.0
237.10088	1.1
239.08104	2.9
239.11798	14.9
240.08812	2.9
240.12509	2.9
241.09700	4.2
241.13408	2.7
243.14772	2.0
249.10245	2.3
251.11769	2.0
252.09003	3.2
253.09746	14.6
254.10471	4.2
255.11208	8.0
255.14957	17.0
256.12097	1.9
265.09583	1.2
267.11292	21.1
268.11984	4.4
269.12787	2.4
271.11084	1.5
271.14450	5.2
280.08719	1.4
281.09140	3.6
283.10840	5.8
284.11401	2.0
285.12305	5.6
287.13968	3.0
295.10782	11.4
297.12338	8.4
299.10349	5.9
299.13892	51.8
301.11768	1.7
313.11835	86.9
314.12268	3.6
323.10269	18.7
329.11298	3.3
341.11343	56.2
342.11658	2.5
355.12921	4.2
359.12247	2.4
361.13959	5.9
373.13962	100.0
374.14301	3.1
480.17758	8.3
492.17841	3.9
508.21033	1.1
512.20325	12.8
517.18494	1.3
524.20111	4.1
565.24017	1.5
581.23578	2.1
583.25665	8.4
585.22931	2.4
597.26874	1.8
599.25391	1.4
609.23383	4.9
627.24524	24.5
628.24890	1.6
641.26031	15.8
659.27057	12.9
821.45526	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	9.6
57.07073	2.0
61.02930	2.3
62.25192	1.2
65.03940	3.0
67.05509	63.1
69.03440	10.6
69.07072	32.1
69.51606	7.4
69.52016	2.9
79.05498	47.2
81.03414	6.0
81.06589	2.8
81.07063	48.5
83.04990	7.9
83.08631	9.9
84.50782	1.3
85.02905	1.9
91.05488	33.0
93.06483	2.7
93.07050	42.8
95.04974	10.9
95.08614	38.0
97.02888	8.1
97.06525	4.3
97.10176	10.7
105.04530	1.4
105.07039	20.0
107.04955	6.6
107.08605	25.5
109.06554	2.1
109.10163	19.0
111.08086	3.2
115.05486	1.9
117.07034	10.7
119.08595	18.7
121.06520	2.2
121.10155	16.5
123.08068	3.7
123.11742	3.2
125.09618	8.3
125.35696	1.2
129.06992	3.2
130.85596	1.6
131.08585	12.4
133.06509	3.2
133.10132	9.2
135.08075	5.7
135.11731	9.8
137.09618	3.1
143.08565	3.9
145.10129	8.9
147.08058	4.4
147.11732	7.1
149.09660	2.5
149.13297	4.5
151.11115	1.4
157.10117	3.6
159.11661	5.5
161.09665	2.0
161.13312	3.0
163.11145	2.2
171.11638	2.8
173.13274	3.6
175.11212	2.8
175.14925	1.6
184.07347	2.2
185.13040	1.2
187.14912	1.8
189.11240	3.9
189.12761	1.7
195.11722	1.6
197.11424	1.2
205.12233	2.4
213.16483	1.5
223.13298	18.6
227.12762	2.2
243.21115	2.6
245.18988	1.9
249.14873	4.5
261.22095	5.4
273.18549	13.6
291.19559	100.0
292.19962	3.4
309.20410	1.7
317.24936	2.1
335.25830	97.9
336.26086	2.4
344.77039	1.4
347.22025	1.8
365.23230	47.2
489.36072	1.5
512.04193	1.4
545.38275	4.4
607.43878	2.7
625.44635	89.2
626.44849	3.9
726.54083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	10.2
57.07061	2.4
61.02918	4.2
65.03928	5.7
67.05510	100.0
69.03416	4.8
69.07071	23.3
69.36932	9.8
69.37347	7.7
71.04987	7.6
79.05497	70.9
81.03411	6.2
81.07062	90.4
83.04974	15.2
83.08618	9.3
85.06540	5.4
91.05488	67.1
93.07050	68.6
95.04966	13.2
95.08061	4.2
95.08616	46.5
97.06545	7.4
97.10172	3.7
105.04549	2.3
105.07037	52.7
107.04966	5.9
107.08605	53.5
109.06533	5.9
109.10170	62.8
115.05418	2.5
115.07597	2.5
117.07032	15.7
119.08576	21.8
121.06510	6.8
121.10139	23.6
123.08089	5.5
123.11702	12.3
125.09593	2.8
127.07478	2.5
129.06961	3.8
131.08591	20.0
133.06485	4.5
133.10138	70.2
135.08080	6.0
135.11685	13.7
137.09650	4.5
143.08559	3.2
145.06499	2.6
145.10120	15.0
147.11664	10.0
149.09595	3.7
149.13239	6.5
151.11212	30.9
157.10104	3.7
159.08080	2.6
159.11707	7.1
161.09592	8.3
161.13278	6.8
169.12352	3.0
171.11703	5.6
173.13261	3.9
175.11160	3.8
177.22430	2.5
215.12730	3.2
243.20995	2.6
245.18953	2.9
253.14378	80.3
255.17647	3.0
259.20602	4.0
261.22198	8.8
263.20157	4.3
273.18484	16.9
291.19543	23.5
335.25821	81.5
347.22162	7.4
365.23276	26.4
513.35901	4.2
529.35431	3.8
531.36816	25.8
545.85968	2.7
607.43658	5.3
611.45691	2.9
625.44781	53.3
626.44366	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.7
57.07060	2.7
65.03930	4.6
67.05508	100.0
69.03435	6.8
69.07073	22.8
69.36996	13.0
71.04993	6.6
79.05496	72.4
79.73431	1.8
81.03430	9.7
81.07060	93.6
83.04984	28.0
83.08613	7.9
85.02924	2.3
85.06547	6.1
91.05482	77.6
93.07047	73.4
95.04980	12.5
95.08613	53.8
95.09119	1.2
97.02881	4.4
97.06528	7.7
97.10181	5.0
98.20792	3.2
99.04441	2.8
103.05486	2.3
105.04506	2.0
105.07038	59.8
107.04968	11.6
107.08598	55.0
109.06522	7.9
109.10159	50.5
111.08089	5.4
117.07027	15.4
119.08593	25.3
121.06511	10.4
121.10156	24.0
123.04451	1.9
123.08131	8.3
123.11701	11.5
125.09640	3.4
127.07520	2.2
128.06210	2.2
129.07010	5.9
131.04900	2.1
131.08601	23.6
133.06541	3.2
133.10138	69.1
135.08090	9.6
135.11708	16.1
135.45161	1.7
137.09601	5.5
139.07553	2.1
142.07793	3.2
143.08537	9.1
145.06499	1.9
145.10139	14.4
147.08043	6.5
147.11726	8.4
149.09624	12.0
149.13235	4.3
151.11198	31.2
155.08551	2.7
157.10149	5.0
158.44984	1.7
159.11731	7.7
161.08485	1.7
161.09631	10.1
161.13249	5.7
163.07449	1.9
163.11179	3.3
165.12738	2.2
169.10168	2.8
169.12280	7.2
171.11690	3.8
173.09682	2.7
173.13240	6.5
175.11232	5.2
175.14760	2.3
177.09160	4.3
177.12717	1.7
179.10629	2.2
181.10162	2.6
185.13329	2.4
187.11169	1.9
187.14832	2.4
189.12756	3.9
193.12242	2.0
199.14891	3.0
203.14297	1.9
215.12721	4.0
227.17993	4.2
231.17355	1.9
233.15375	2.2
243.21115	4.4
245.19131	8.5
251.12715	5.9
253.14357	84.6
255.17552	4.6
261.22186	15.4
263.20184	3.8
273.18500	47.1
275.20181	2.1
291.19556	43.2
309.20584	4.1
335.25815	83.8
347.22067	14.0
363.25116	2.4
365.23245	58.4
366.23459	3.0
366.48944	1.6
439.31528	2.6
457.33136	3.1
513.35748	6.6
529.35419	3.4
531.36859	9.9
607.43469	8.5
625.44635	88.5
626.44458	5.3
673.13007	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.34
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	3.0
69.03422	4.7
71.04977	5.7
71.05322	2.8
78.75289	2.3
79.05497	8.6
80.04979	2.5
81.03408	9.5
81.07050	2.6
81.53207	2.5
85.02912	4.9
91.05475	6.8
93.05783	6.5
93.07070	9.4
94.06573	12.5
95.07339	4.0
96.08147	11.6
97.02869	3.9
98.21229	2.8
103.05493	4.7
105.07024	6.8
106.06540	8.3
107.04948	9.5
107.07339	9.2
108.08125	41.6
109.02907	7.3
110.09696	20.9
120.08125	39.9
121.06500	11.1
121.08935	3.3
122.06038	5.4
122.09676	29.1
127.03928	5.8
130.06494	3.8
131.07317	6.8
132.08076	8.6
133.06429	4.2
134.09671	6.0
136.07590	25.7
137.05952	6.7
138.09152	60.9
138.45636	2.6
144.08092	5.4
146.09656	10.6
148.07590	18.2
150.09149	29.3
152.06989	3.7
156.08208	2.8
158.09718	3.8
160.07568	14.8
161.08270	4.9
162.09143	10.4
164.07062	7.1
166.08662	26.6
167.07074	4.7
168.10201	3.8
170.09593	4.6
171.09111	3.2
172.07524	4.0
172.11185	3.0
174.05632	2.7
174.09172	43.2
177.05510	3.9
178.08624	4.2
180.10208	3.8
184.07686	3.1
186.09216	5.7
188.06976	3.1
188.10716	3.7
189.10294	2.7
190.08510	3.8
192.10208	64.8
197.10773	3.6
198.09138	6.9
199.08710	8.3
200.07101	3.2
200.10793	3.3
201.10243	6.9
202.08560	17.0
204.10184	5.2
206.04649	3.1
208.09763	3.0
209.10666	3.2
211.08609	3.6
213.10222	12.1
215.08119	5.6
215.11676	4.4
216.10217	5.0
218.08084	3.4
220.09729	39.2
222.07779	3.1
223.08636	7.6
225.10194	13.0
226.08786	2.7
227.08202	29.3
227.11807	7.3
228.10426	3.0
229.09689	7.9
229.13371	3.7
230.11763	2.9
230.98622	2.7
232.09625	5.1
233.69214	2.5
237.10291	12.2
239.08148	5.4
239.11760	7.0
241.09738	28.0
242.08089	3.2
243.11285	4.8
244.09566	2.7
246.07655	4.1
246.11356	7.4
247.10857	2.7
249.10323	6.1
250.10915	3.3
251.08240	9.1
251.11642	2.4
252.08971	5.9
253.09760	22.9
255.11264	8.2
259.10797	7.2
261.12604	2.6
263.11835	2.8
264.08920	5.3
265.09772	24.3
266.00684	2.4
266.10361	5.6
267.07999	2.4
267.11325	15.9
269.09244	22.2
269.12518	4.3
271.10852	7.7
275.08099	2.8
276.12347	4.9
277.09781	6.1
279.07819	5.0
279.11346	10.2
281.09286	19.9
283.10770	8.8
285.12454	3.9
287.10226	10.2
287.13272	3.1
292.08664	2.7
292.11890	5.2
293.09308	21.6
293.12610	4.1
295.10715	23.0
297.08969	5.0
297.12274	8.8
299.10129	7.4
305.09012	3.2
307.10767	4.6
309.12088	5.9
310.12933	8.9
311.10333	12.1
313.11847	13.7
319.10281	3.4
321.08707	10.7
323.10272	12.9
325.11716	4.3
327.13223	3.7
329.11322	4.3
335.10367	7.1
339.09723	5.5
340.14371	2.8
350.54480	3.1
353.11017	5.6
355.13031	7.6
367.12781	4.2
369.14597	3.5
371.12378	5.8
374.14728	2.6
375.16992	2.8
382.15576	3.5
383.12344	3.5
385.13885	3.2
393.90057	2.7
398.15472	3.1
400.16388	5.4
402.18033	2.7
403.15381	3.7
413.13309	7.2
414.18073	4.3
417.15915	3.0
418.17886	5.6
431.14487	17.6
437.13367	2.8
439.14954	4.3
440.16028	4.1
442.17691	4.1
443.14560	3.0
455.14355	5.0
457.16107	5.4
460.18478	4.0
463.16760	3.4
465.13071	3.6
469.15744	3.5
479.14426	3.5
483.13797	7.4
485.15381	9.1
488.18149	4.0
497.15427	6.7
501.15045	3.2
515.16785	4.1
517.18115	9.9
529.18292	3.0
540.21155	3.7
558.22382	3.8
576.23962	3.0
586.11511	2.8
586.21936	9.4
596.20154	4.1
604.23071	14.8
606.23932	5.1
608.22125	3.0
614.21210	12.7
618.24420	6.6
622.24261	17.8
632.22314	19.7
636.25201	9.7
646.23724	10.8
650.23517	100.0
651.23792	7.3
654.26031	9.3
664.25122	24.0
665.24213	3.9
668.24493	3.5
682.14905	4.4
682.26093	60.6
709.28186	6.7
719.26843	4.8
727.29633	11.5
737.27826	9.6
741.31323	6.1
745.29919	5.6
751.29108	3.9
755.28973	21.5
756.29395	2.9
759.32275	9.3
769.30341	6.4
773.30353	26.4
787.32379	12.4
805.32654	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	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04510	0.9
61.02919	0.5
65.03931	3.6
66.04733	0.6
67.05499	1.2
69.03421	2.2
70.06592	3.5
71.05002	0.9
71.51479	0.9
75.04472	2.3
78.04712	2.5
79.05502	4.2
79.55151	0.5
81.03404	2.3
81.07053	0.9
82.04189	1.2
84.04516	0.6
84.08122	1.3
85.02912	7.2
86.09691	2.2
89.03918	0.8
89.06016	1.0
90.10972	0.5
91.04981	0.8
91.05489	10.4
93.03413	7.7
93.07040	3.7
94.47684	0.5
95.04973	4.0
95.08606	0.6
97.02881	2.0
97.06528	2.7
103.05470	16.3
105.03384	0.7
105.07043	6.2
106.04185	16.0
107.04971	8.0
107.08571	0.7
108.02081	0.6
109.02875	1.1
109.06495	1.2
110.03650	1.2
111.04448	0.7
115.05458	5.2
117.07043	2.3
118.04163	2.7
119.04965	3.2
119.08588	1.3
120.08093	0.6
120.63612	0.5
121.06512	19.5
122.03642	0.9
123.04411	2.8
123.08052	0.7
124.05205	1.2
125.06004	7.2
127.03896	1.7
129.06950	1.0
129.10185	0.8
130.04108	1.0
131.04932	14.0
131.05942	0.7
131.08562	1.0
132.05666	1.2
133.02850	1.1
133.06499	6.8
134.03638	2.3
135.04411	1.3
135.08047	1.1
136.05161	0.5
136.07584	1.1
137.05997	6.4
138.06628	0.6
138.09097	1.3
139.07527	2.3
140.04707	0.7
141.06989	0.5
142.02612	0.6
143.04959	0.9
143.06009	0.6
144.05664	1.0
144.43637	0.5
145.02805	1.3
145.06470	3.7
147.04427	1.4
147.08051	1.4
148.05206	8.8
149.05991	28.8
151.03905	2.0
151.07518	1.8
152.04663	1.0
153.05492	3.0
153.09114	7.6
155.07115	0.8
157.06487	0.8
159.04477	0.8
159.08000	1.7
160.05194	1.0
161.06026	5.8
162.06564	0.6
163.03885	1.5
163.07547	15.9
165.05466	1.2
166.06276	1.2
167.07048	36.3
168.07539	0.7
171.04355	0.7
171.06552	1.4
173.06018	4.9
174.06799	0.7
175.07527	2.9
176.04692	2.1
177.05481	20.1
178.06171	0.5
181.04974	47.8
181.08560	15.8
182.08995	0.7
183.06734	0.5
187.07529	3.6
189.05438	0.8
189.09085	0.7
190.06248	1.4
191.07037	58.6
192.07639	1.2
193.04961	1.2
193.08623	3.5
195.06535	2.8
201.05522	1.7
203.06995	2.0
205.06845	0.6
205.08522	2.6
207.06505	1.5
207.10228	1.4
209.08102	100.0
210.08470	2.8
217.08589	1.9
219.08295	0.6
219.10072	2.4
221.08076	1.2
231.06514	0.8
232.07152	0.6
233.08086	3.3
235.07558	1.2
235.09673	4.1
237.09213	0.6
239.07007	0.8
241.08652	0.7
245.08040	1.4
247.07362	0.6
249.09100	0.6
255.10635	0.5
263.07001	0.7
263.09180	14.8
267.10168	2.0
269.11456	0.6
275.06940	0.5
277.08850	0.8
279.10315	0.7
287.05548	0.8
292.07352	1.0
293.08170	0.5
295.09695	0.9
297.11368	0.8
307.09631	1.0
307.41382	0.5
309.11255	0.8
323.09128	0.6
325.10828	2.3
329.10361	0.6
337.10669	1.0
339.12109	0.9
357.13309	4.1
359.14883	1.0
367.11945	1.3
369.13376	1.2
371.14847	0.7
383.31314	0.5
385.12820	7.4
387.14249	0.7
399.14459	2.8
417.15457	16.8
418.15634	1.0
547.45770	0.6
551.10907	0.5
609.23291	1.2
824.51263	2.8
846.91840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04510	0.9
61.02919	0.5
65.03931	3.6
66.04733	0.6
67.05499	1.2
69.03421	2.2
70.06592	3.5
71.05002	0.9
71.51479	0.9
75.04472	2.3
78.04712	2.5
79.05502	4.2
79.55151	0.5
81.03404	2.3
81.07053	0.9
82.04189	1.2
84.04516	0.6
84.08122	1.3
85.02912	7.2
86.09691	2.2
89.03918	0.8
89.06016	1.0
90.10972	0.5
91.04981	0.8
91.05489	10.4
93.03413	7.7
93.07040	3.7
94.47684	0.5
95.04973	4.0
95.08606	0.6
97.02881	2.0
97.06528	2.7
103.05470	16.3
105.03384	0.7
105.07043	6.2
106.04185	16.0
107.04971	8.0
107.08571	0.7
108.02081	0.6
109.02875	1.1
109.06495	1.2
110.03650	1.2
111.04448	0.7
115.05458	5.2
117.07043	2.3
118.04163	2.7
119.04965	3.2
119.08588	1.3
120.08093	0.6
120.63612	0.5
121.06512	19.5
122.03642	0.9
123.04411	2.8
123.08052	0.7
124.05205	1.2
125.06004	7.2
127.03896	1.7
129.06950	1.0
129.10185	0.8
130.04108	1.0
131.04932	14.0
131.05942	0.7
131.08562	1.0
132.05666	1.2
133.02850	1.1
133.06499	6.8
134.03638	2.3
135.04411	1.3
135.08047	1.1
136.05161	0.5
136.07584	1.1
137.05997	6.4
138.06628	0.6
138.09097	1.3
139.07527	2.3
140.04707	0.7
141.06989	0.5
142.02612	0.6
143.04959	0.9
143.06009	0.6
144.05664	1.0
144.43637	0.5
145.02805	1.3
145.06470	3.7
147.04427	1.4
147.08051	1.4
148.05206	8.8
149.05991	28.8
151.03905	2.0
151.07518	1.8
152.04663	1.0
153.05492	3.0
153.09114	7.6
155.07115	0.8
157.06487	0.8
159.04477	0.8
159.08000	1.7
160.05194	1.0
161.06026	5.8
162.06564	0.6
163.03885	1.5
163.07547	15.9
165.05466	1.2
166.06276	1.2
167.07048	36.3
168.07539	0.7
171.04355	0.7
171.06552	1.4
173.06018	4.9
174.06799	0.7
175.07527	2.9
176.04692	2.1
177.05481	20.1
178.06171	0.5
181.04974	47.8
181.08560	15.8
182.08995	0.7
183.06734	0.5
187.07529	3.6
189.05438	0.8
189.09085	0.7
190.06248	1.4
191.07037	58.6
192.07639	1.2
193.04961	1.2
193.08623	3.5
195.06535	2.8
201.05522	1.7
203.06995	2.0
205.06845	0.6
205.08522	2.6
207.06505	1.5
207.10228	1.4
209.08102	100.0
210.08470	2.8
217.08589	1.9
219.08295	0.6
219.10072	2.4
221.08076	1.2
231.06514	0.8
232.07152	0.6
233.08086	3.3
235.07558	1.2
235.09673	4.1
237.09213	0.6
239.07007	0.8
241.08652	0.7
245.08040	1.4
247.07362	0.6
249.09100	0.6
255.10635	0.5
263.07001	0.7
263.09180	14.8
267.10168	2.0
269.11456	0.6
275.06940	0.5
277.08850	0.8
279.10315	0.7
287.05548	0.8
292.07352	1.0
293.08170	0.5
295.09695	0.9
297.11368	0.8
307.09631	1.0
307.41382	0.5
309.11255	0.8
323.09128	0.6
325.10828	2.3
329.10361	0.6
337.10669	1.0
339.12109	0.9
357.13309	4.1
359.14883	1.0
367.11945	1.3
369.13376	1.2
371.14847	0.7
383.31314	0.5
385.12820	7.4
387.14249	0.7
399.14459	2.8
417.15457	16.8
418.15634	1.0
547.45770	0.6
551.10907	0.5
609.23291	1.2
824.51263	2.8
846.91840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.7
65.03919	4.5
67.05506	90.0
69.03429	8.9
69.07069	29.6
69.21104	1.6
69.37586	10.3
71.04974	5.2
73.02893	2.1
74.13113	1.4
77.03915	2.2
79.05494	77.6
80.24221	1.2
81.03428	10.7
81.07056	100.0
82.05762	1.3
82.07388	1.3
83.04987	8.5
83.08628	11.5
85.02910	5.6
85.06576	3.3
87.68636	1.5
91.04903	2.7
91.05480	61.4
93.07045	74.7
95.04980	10.3
95.08610	57.5
95.68119	1.5
97.02877	4.0
97.06537	11.9
97.10149	5.8
99.04458	1.6
99.08092	2.6
105.04526	3.3
105.07034	43.9
107.04964	8.2
107.07883	2.3
107.08597	41.2
109.06514	6.4
109.10156	23.9
111.08085	3.8
115.05424	1.9
117.06233	1.8
117.07020	19.3
119.06030	1.4
119.07807	2.6
119.08588	33.8
121.06517	3.1
121.10150	30.8
123.08060	4.6
123.11684	5.9
125.09649	3.4
128.06230	2.5
129.05476	2.2
129.07016	9.6
130.07761	1.7
131.08580	25.8
133.10136	24.7
135.08063	3.4
135.11682	18.7
137.09615	3.8
139.11110	1.6
143.08551	5.3
144.09309	1.4
145.10121	16.7
147.11681	15.7
149.09665	8.1
149.13277	13.5
150.07253	1.5
155.08549	2.2
157.10095	4.6
159.11699	17.0
161.09612	1.9
161.13278	6.1
163.11145	4.7
163.14728	2.6
165.12704	1.9
169.10100	1.6
171.11673	5.0
173.13280	7.9
175.14824	2.6
177.12659	3.9
179.14249	2.0
181.10078	1.6
183.11729	2.5
185.13258	5.9
187.14798	2.6
191.14433	1.6
195.13818	3.7
197.13286	2.7
199.14790	2.3
203.14348	1.8
213.14732	1.6
217.15982	1.9
219.17499	3.1
227.12814	2.4
229.14262	3.8
235.16742	1.8
239.17955	3.2
243.21028	3.6
255.15900	6.2
257.18942	8.9
259.20541	2.8
261.22104	10.1
269.17441	18.2
275.20108	20.2
284.87668	1.6
291.19604	1.7
293.21225	3.0
309.20572	8.8
317.24612	1.5
331.22729	2.5
333.24268	2.6
335.25800	88.6
336.25870	2.5
349.23691	19.4
351.25607	1.8
367.24750	2.5
462.98563	1.6
489.35492	2.9
515.37567	10.1
529.38861	51.3
530.39355	2.1
555.40295	1.7
569.41986	19.2
609.45166	17.9
627.46155	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.7
63.58083	1.9
65.03934	5.8
65.29532	1.9
67.05510	80.9
67.05879	3.9
69.03419	8.1
69.07072	29.8
69.15175	13.4
69.15590	4.3
71.04983	5.8
72.69178	1.7
73.02920	2.3
77.03893	2.1
79.05497	71.4
81.03441	8.7
81.07063	85.4
83.04964	5.8
83.08614	15.9
85.02891	5.0
85.06534	3.7
91.04911	2.3
91.05486	53.3
93.07050	73.1
93.07643	4.2
95.04952	7.6
95.08613	58.7
97.02906	4.5
97.06522	11.6
97.10165	10.3
99.08080	2.7
105.04534	3.1
105.07038	53.5
107.04962	7.3
107.08599	52.9
109.02890	2.6
109.06509	5.9
109.10156	22.8
111.08078	6.6
113.68237	2.2
117.07013	19.2
119.08594	34.3
121.06520	4.6
121.10150	26.0
123.08035	4.0
123.11706	5.7
125.09666	9.0
127.03915	3.0
128.06158	2.9
129.06995	7.2
130.07796	1.8
131.08582	29.7
133.10115	22.2
135.08076	4.8
135.11700	18.8
137.09628	3.1
141.06990	2.7
143.08569	8.1
145.04942	1.9
145.10124	25.0
147.11713	18.8
149.09601	10.5
149.13277	9.0
155.08575	2.0
157.10139	10.8
159.11713	23.4
161.13260	8.8
163.11200	8.7
163.14822	4.8
169.10153	4.8
171.11745	7.4
173.11867	2.8
173.13216	10.9
175.14842	5.5
177.12785	3.4
183.11658	4.2
185.13246	9.6
187.14879	3.5
189.11217	3.9
195.13730	1.8
197.13213	3.3
199.14798	3.7
201.16347	3.1
203.14374	4.2
211.14819	2.8
219.17439	4.4
227.12833	13.3
229.14272	2.5
229.19566	5.0
239.18001	7.6
243.21123	3.7
247.20535	2.5
257.18951	15.5
259.20621	3.6
261.22046	9.9
267.15866	3.6
269.17429	8.7
275.20071	42.9
293.21124	6.8
331.22540	4.7
335.25842	100.0
349.23755	35.5
350.23849	2.1
367.24823	3.6
489.35736	3.0
515.37042	5.6
529.39032	11.0
569.42133	4.1
589.16736	2.3
609.45135	44.8
610.45038	4.2
627.46027	10.2
737.84363	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05014	3.4
61.02932	9.9
65.03934	1.3
67.05507	61.2
69.03423	2.3
69.07074	6.2
69.16656	3.3
69.17083	3.8
71.04984	2.9
71.08635	17.6
73.02901	2.8
79.05482	2.7
81.06589	1.0
81.07056	16.2
83.04963	0.7
83.08624	10.2
85.02911	10.7
85.06539	1.8
85.10191	10.3
86.09697	0.7
89.06020	1.6
91.03960	7.7
91.05481	3.1
93.07040	3.0
95.08069	1.0
95.08614	14.4
97.02901	7.3
97.10182	2.9
99.04507	0.8
103.07623	0.7
107.08595	1.8
109.10162	62.2
111.08086	3.3
118.06545	0.6
119.08596	4.1
121.10069	0.7
123.11704	2.3
127.03931	3.9
137.09601	3.3
145.05009	3.3
155.10632	4.9
163.05978	4.3
173.11743	16.7
184.07361	0.7
193.01390	0.7
229.14360	100.0
230.14680	1.4
239.23695	2.1
257.24814	2.7
313.27368	74.9
314.27649	1.6
320.17175	0.6
467.37347	61.1
468.37659	3.0
606.28986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
67.42296	0.8
69.03426	1.3
70.42153	2.4
70.44599	0.8
71.95264	1.6
84.96026	4.0
85.02903	1.6
97.02901	1.8
97.96816	2.3
98.97594	81.8
107.04983	1.0
110.97585	18.0
112.99128	3.0
116.97832	1.6
116.98629	25.9
119.04907	1.0
124.99161	1.1
128.98611	18.6
131.00163	2.9
134.99672	5.7
137.06021	1.2
140.98589	2.4
143.00209	4.1
144.98119	1.0
146.99658	4.9
147.04411	2.3
152.98586	1.1
158.99663	12.3
161.01234	3.8
162.99332	1.2
170.99644	5.3
177.00720	9.3
179.02246	1.2
179.06982	1.0
186.40753	1.0
189.00720	3.2
201.00740	5.6
211.99922	1.6
213.04204	1.1
219.01784	44.1
219.03932	2.2
220.00415	2.0
223.02768	2.7
226.01442	1.6
227.02290	1.2
235.02820	16.6
237.02808	49.4
238.01489	8.0
241.03859	3.9
245.03267	1.3
251.02245	1.7
253.03857	17.7
255.03629	1.9
256.02530	1.6
259.04788	1.8
260.02029	4.0
260.04343	1.2
263.04477	1.2
265.03934	2.1
269.03391	4.3
271.04950	8.1
277.03860	19.6
278.03156	1.1
279.05310	6.3
280.02225	1.2
295.04926	21.7
307.04800	1.6
311.04333	1.1
313.05835	1.6
331.43307	0.9
337.05975	7.2
355.06964	1.3
367.06613	1.3
379.06790	1.4
385.08224	1.3
397.07971	1.2
415.09158	52.6
416.09644	1.8
433.10294	14.4
451.06839	100.0
452.07031	3.6
558.46985	0.9
726.64954	1.0
791.22614	5.4
831.86230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94247	0.5
65.03948	1.2
69.03412	2.8
69.20586	1.3
69.21005	4.6
71.04985	1.1
72.80302	0.5
79.60064	0.5
81.03421	43.4
85.02918	4.6
91.05484	62.6
95.04949	0.6
97.02895	20.9
99.04452	4.4
103.03951	0.7
103.05463	1.3
105.03393	2.4
105.07025	3.2
109.02884	42.0
111.04490	0.8
115.05456	13.5
117.07020	13.0
119.04947	5.8
125.02354	3.9
126.03221	0.6
127.03920	36.4
131.04973	0.8
133.06499	10.7
141.05498	0.9
143.04901	5.2
145.06499	6.9
147.04419	0.9
151.03928	1.3
153.07002	0.7
155.06026	1.4
157.06496	1.3
161.05986	100.0
162.06343	1.6
167.03381	0.7
167.08589	0.7
169.04964	10.1
171.04402	7.9
173.05911	0.7
179.07054	10.6
181.06476	1.3
183.07983	1.3
187.06029	2.0
189.05464	10.1
195.08096	1.3
199.07581	1.9
205.04944	1.4
207.06497	0.9
209.06013	2.4
217.04846	3.1
223.07494	1.3
225.09142	1.4
227.07121	0.9
229.07106	3.5
231.06674	0.9
235.06024	2.6
239.07121	0.8
241.08568	1.0
243.10040	0.7
249.07520	0.8
251.07123	1.3
253.07077	1.4
257.08051	0.6
269.08237	4.3
287.09076	6.7
297.07718	1.2
315.08673	5.2
375.10672	0.8
379.67551	0.6
435.12918	0.9
441.12155	0.9
477.13782	0.8
501.13617	1.4
603.16858	1.0
621.17987	4.9
827.24316	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	827.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.1
67.05510	6.0
69.03438	3.7
69.07068	1.6
69.19191	0.6
69.19592	3.1
71.01353	0.5
71.05006	0.6
73.02925	4.3
79.05505	5.3
79.05928	0.6
81.03418	1.7
81.07062	5.3
83.04974	0.9
83.08636	1.2
85.02911	4.6
85.28270	0.4
90.55580	0.4
91.03962	2.4
91.05491	3.0
93.07057	3.8
95.04971	0.5
95.08607	4.0
97.02901	4.7
97.06496	0.5
97.10178	1.2
99.04472	0.8
101.02389	2.2
104.86969	0.5
105.07028	1.7
107.04961	0.5
107.08591	2.9
109.02895	1.2
109.10175	2.0
110.30861	0.4
117.07062	0.8
119.08587	1.2
121.10168	1.4
125.09631	0.9
127.03957	1.2
131.08601	1.3
133.10139	1.0
135.11725	1.3
145.05002	0.5
149.09570	0.4
149.13255	0.4
150.02286	0.4
159.11678	0.5
185.04230	0.5
223.13374	0.7
225.83794	0.3
227.12788	0.5
243.08434	2.3
291.19653	0.6
331.18961	2.0
331.22507	0.5
335.25912	1.1
436.36819	0.4
519.29260	8.5
549.26575	3.3
566.13019	0.4
821.24847	0.4
827.49225	100.0
828.49432	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	827.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.9
65.03955	0.7
67.05508	7.2
68.05836	0.5
69.03423	3.5
69.07072	1.4
71.05005	0.9
73.02930	4.0
75.65940	0.3
79.05502	5.9
81.03429	1.7
81.07063	6.9
82.07420	0.4
83.00693	0.4
83.04956	1.6
83.08640	0.6
85.02911	5.2
87.04479	0.4
88.82156	0.3
91.03943	3.3
91.05496	4.1
93.07049	5.1
93.47633	0.3
94.07404	0.5
95.04998	1.1
95.08619	4.3
96.08984	0.4
97.02900	4.2
97.06564	0.7
97.10184	0.5
98.21154	2.5
98.21718	0.3
99.04491	0.8
101.02378	1.7
102.39607	0.4
105.07040	2.3
107.04973	0.5
107.08595	2.7
109.02886	1.0
109.06516	0.8
109.10168	2.7
113.84968	0.3
117.07037	1.0
119.08587	1.6
121.10132	1.7
123.08096	0.6
123.11807	0.3
127.03960	1.3
131.08603	1.2
133.10150	1.6
135.08075	0.4
135.11722	0.8
145.10149	0.7
147.11714	0.5
149.13229	0.4
159.11725	0.6
161.13303	0.4
163.14912	0.4
164.10838	0.3
175.79158	0.3
177.14490	0.4
182.53470	0.3
185.04237	0.8
185.95702	0.3
203.05461	0.4
229.39502	0.4
235.72972	0.4
243.08440	2.3
243.72870	0.4
275.20178	0.4
331.18753	4.8
335.25903	1.4
336.26138	0.8
337.27243	0.5
338.27841	0.5
519.29315	6.9
525.48236	0.4
529.39459	0.5
530.39215	0.7
549.26807	3.2
612.47125	0.6
809.49054	0.5
823.35272	0.4
827.49182	100.0
828.49475	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	5.2
62.22873	0.5
65.03951	0.5
67.05509	6.8
69.03429	3.4
69.07064	2.2
69.13210	0.4
70.64370	0.6
70.64745	0.8
71.01352	0.5
71.04990	1.1
73.02927	4.6
79.05499	5.6
81.03419	1.8
81.07063	6.8
83.04985	0.6
83.08641	1.0
85.02906	5.2
85.06551	0.5
87.04482	1.0
91.03970	3.4
91.05476	3.9
93.07050	5.2
95.04993	0.8
95.08604	4.8
97.02899	5.2
97.10194	0.6
99.04482	0.9
101.02397	2.0
103.04005	0.5
104.51167	0.4
105.07039	2.2
107.08596	2.8
109.02897	1.0
109.06517	0.4
109.10172	1.5
113.14785	0.4
115.03930	0.8
117.07050	0.9
119.08584	1.9
121.10137	1.9
127.03960	1.4
129.05482	0.4
131.08578	1.3
133.10194	1.3
135.11758	1.3
145.10074	0.7
147.11710	0.5
149.13338	0.6
159.11560	0.5
185.04282	0.8
193.28667	0.4
243.08411	2.5
247.12860	0.4
333.20331	3.8
335.26010	0.4
443.18808	0.6
453.48853	0.4
465.21057	0.8
519.29315	6.0
526.38116	0.4
551.28192	3.2
829.50732	100.0
830.51013	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	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
60.14789	1.3
61.02932	4.9
62.80912	1.2
67.05508	7.8
69.03440	4.1
69.07087	5.4
69.80504	4.6
69.80915	2.4
73.02932	5.1
79.05501	4.3
79.41760	1.4
81.03443	2.5
81.07072	7.7
83.08649	2.1
85.02927	5.2
91.03986	2.7
91.05524	2.9
93.07068	4.8
95.08615	7.9
97.02921	4.0
97.10201	2.1
105.07109	2.3
107.08627	5.4
109.10188	3.7
117.07124	1.9
119.08684	1.7
121.10178	3.0
133.10143	1.6
135.11739	2.4
140.00577	1.2
145.10069	1.4
146.36320	1.3
152.01717	1.4
227.20262	1.2
243.08609	1.4
253.21764	2.8
333.20547	3.9
487.41739	2.8
505.42953	3.0
519.29156	6.3
551.28375	5.7
708.28552	1.5
829.50739	100.0
830.51807	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	832.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06602	94.9
59.06115	2.9
60.04529	1.6
61.02925	4.4
65.03925	1.1
67.05507	25.0
69.03433	2.0
69.07073	6.6
70.06579	2.0
71.51939	1.1
73.02922	1.6
78.86516	0.9
79.05496	21.3
80.05020	2.3
81.03427	1.5
81.05801	1.0
81.07058	21.7
82.06576	4.8
83.08611	3.6
84.04500	4.0
84.08155	6.9
85.02914	4.4
85.54005	0.9
91.03957	2.1
91.05482	17.1
93.07044	18.3
94.06567	11.3
95.04974	2.7
95.07324	2.0
95.08606	17.7
96.08143	4.0
97.02882	4.1
97.06544	1.6
97.10159	0.9
100.06623	0.9
105.07030	12.7
106.06559	2.0
107.07381	1.6
107.08598	12.5
108.08120	1.7
109.06502	2.0
109.10186	4.6
110.09698	2.3
111.08100	1.4
112.07606	3.4
114.09189	1.9
115.05366	0.8
117.07027	5.8
119.08570	7.5
120.08126	1.7
121.10143	6.3
122.09669	2.3
123.08040	1.0
124.11244	3.9
125.11696	0.9
129.07030	3.1
131.08548	6.3
133.10139	3.8
134.09659	2.1
135.10408	0.8
135.11722	3.8
136.11198	2.1
143.08600	1.3
145.10123	4.0
147.11688	2.7
148.11186	1.0
149.13263	2.4
152.10715	2.1
157.10188	2.0
159.11711	2.6
161.13257	1.9
162.06448	0.9
164.14359	3.9
171.11612	1.4
173.13287	1.7
180.13780	2.1
185.13295	1.4
220.16946	2.7
235.28592	1.0
238.18065	1.6
260.20023	1.1
265.05423	0.9
272.18408	1.2
278.21371	0.9
300.23065	1.5
301.21509	1.9
318.24344	5.9
335.25845	10.6
392.27936	5.1
410.29141	1.0
532.39819	3.5
572.43237	2.1
612.46027	1.8
635.46503	1.5
652.49286	8.8
670.50415	100.0
671.50708	5.8
765.82074	1.0
814.55121	1.3
832.55560	16.7
833.55194	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	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.3
65.03927	5.8
67.05508	84.2
69.03428	9.2
69.06733	2.4
69.07072	29.9
70.11552	6.1
71.01340	1.7
71.04993	9.3
79.05496	74.4
81.03422	17.8
81.07061	74.4
83.04984	10.9
83.08620	14.7
85.02885	6.3
85.06534	3.3
87.04453	3.7
91.05486	60.0
93.07050	71.4
93.07641	3.9
95.01340	3.6
95.04975	17.9
95.08609	55.0
97.02889	3.2
97.06533	31.3
97.10182	14.4
99.04516	2.0
99.08088	4.2
103.05467	2.9
104.35323	1.9
105.07036	37.0
107.04961	22.6
107.08602	37.9
109.02884	3.3
109.06520	23.2
109.10159	19.5
109.99485	1.6
111.04415	2.2
111.08067	5.1
113.05991	5.8
115.05479	2.0
115.07568	3.5
117.07033	17.5
119.07825	2.4
119.08592	30.9
121.02859	14.5
121.06522	23.3
121.10150	33.4
121.42099	1.4
121.88274	1.7
123.04415	6.1
123.05249	1.6
123.08084	19.8
123.11688	5.3
125.06021	14.3
125.09654	10.5
126.84219	1.5
127.03893	2.9
128.06189	3.1
129.07004	8.8
131.04974	2.9
131.08572	24.8
133.06470	7.2
133.10150	18.1
135.08072	16.4
135.11699	12.0
137.09599	5.3
137.13255	2.4
139.11148	2.7
141.06973	4.3
143.08565	5.6
145.06474	6.4
145.10138	16.9
145.66719	1.6
147.08020	6.8
147.11719	15.2
149.05962	4.1
149.09633	11.6
149.13223	5.7
151.07545	9.1
151.11165	2.5
155.08551	6.2
157.10097	7.9
159.08063	33.2
159.11696	8.9
161.09613	8.0
161.13252	4.8
163.07539	12.1
163.11163	5.3
163.14780	3.0
167.10715	3.6
169.10152	4.7
171.11688	4.9
173.09593	6.6
173.13219	6.5
175.11177	6.4
175.14789	1.7
177.09087	6.0
177.12698	2.0
183.11670	2.1
185.09651	3.2
187.11261	2.4
187.14828	4.6
189.11197	6.3
193.12241	10.2
197.13245	4.1
199.11253	4.1
205.15891	3.7
211.11299	2.6
211.13225	3.6
215.14310	5.0
219.13802	4.1
221.11665	3.3
227.12787	6.5
233.15366	40.3
235.14856	3.0
237.14847	3.3
239.12862	2.2
241.14362	8.8
241.19598	3.1
241.83672	1.7
243.17458	3.4
243.21149	2.7
247.13261	5.7
251.16408	5.6
253.15849	9.1
253.72205	2.4
259.20514	2.6
261.18542	4.7
261.22189	10.1
267.15924	7.3
271.16861	21.2
273.18475	2.1
289.17957	51.3
291.19620	2.0
307.19025	23.3
313.16400	2.8
317.24539	2.3
333.24158	2.5
335.25806	100.0
336.26227	3.6
345.20663	3.9
363.21631	19.1
371.13998	2.0
381.22784	15.7
450.04562	1.7
450.42731	1.8
460.19070	2.1
501.35852	2.8
501.74084	1.9
527.37317	3.8
553.38983	2.0
573.37817	2.3
581.38525	2.7
623.43158	16.5
641.44202	21.9
659.45184	3.8
708.65741	2.2
759.04803	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	36.5
67.05509	77.7
69.07062	13.3
70.06607	22.9
72.08164	6.4
73.02901	14.3
76.51162	4.3
79.05502	50.8
81.06603	6.2
81.07065	85.1
83.08626	10.2
85.02910	52.5
86.09676	11.1
91.03964	38.3
91.05489	27.5
93.07043	44.3
95.08606	60.0
97.02903	23.4
97.03452	4.5
97.06535	7.7
102.05547	6.3
105.07029	17.1
107.04910	7.3
107.08600	27.3
109.10173	25.4
115.38295	5.2
116.63707	3.9
117.07052	6.3
119.08578	9.0
121.10153	29.7
123.11712	18.7
123.26730	4.6
127.03915	20.7
131.08572	20.6
133.10115	16.7
135.11736	26.2
137.13226	9.0
145.04944	19.1
145.10124	15.1
146.08159	5.3
147.04428	6.1
147.11641	13.7
149.02367	7.0
149.13264	26.2
159.11690	9.6
161.13199	10.5
163.06029	44.0
163.14835	11.9
173.13293	11.6
177.16347	7.0
187.14810	5.6
193.04866	5.7
229.54648	7.3
243.21068	26.9
261.22147	100.0
262.22543	4.7
314.45367	4.6
335.25797	33.9
353.26923	48.3
419.76859	4.3
432.19946	4.2
497.31262	9.2
516.28265	6.3
634.11493	5.9
655.28912	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	840.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02946	0.2
70.04159	1.0
77.03941	0.6
79.05496	1.9
81.02929	0.5
81.03419	11.4
84.63788	0.3
91.05482	0.4
91.52184	0.3
94.75838	0.2
95.04966	1.5
97.02894	5.4
99.04505	0.4
105.04537	1.0
107.04961	100.0
108.05262	1.3
109.02884	63.2
109.66084	0.2
110.03261	0.7
127.03921	17.9
128.04260	0.3
139.03914	3.0
140.04161	0.2
169.04973	23.7
170.05287	0.3
187.05934	0.3
211.06024	3.1
214.96625	0.2
223.35104	0.2
250.59650	0.2
269.08005	0.2
271.08154	2.8
331.10257	5.2
389.33426	0.3
537.15662	0.8
554.67010	0.2
641.39215	0.2
641.85138	0.3
680.21960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.6
65.03941	6.5
67.05510	83.1
69.03420	8.6
69.06792	2.1
69.07079	24.2
69.82226	8.7
71.04990	9.6
78.41414	2.5
79.05502	80.0
81.03420	23.8
81.07066	100.0
83.04975	8.8
83.08628	16.1
85.02892	8.0
85.06528	7.3
91.03973	2.5
91.05492	53.0
93.06483	4.3
93.07054	72.1
95.04987	26.2
95.08615	59.2
97.02904	5.0
97.06538	18.2
97.10184	11.7
99.04468	2.9
99.08099	3.1
103.05444	2.4
105.04517	2.2
105.07034	43.9
107.04948	9.0
107.08598	37.4
109.02912	2.6
109.06533	38.1
109.10172	23.5
111.08118	5.1
113.05994	2.7
116.06226	2.1
117.07032	17.5
119.08600	31.2
121.06499	6.5
121.10155	32.8
123.04445	2.2
123.08087	12.2
123.11673	4.8
125.09638	8.2
127.03874	4.8
129.07011	9.5
131.08572	20.9
133.06488	3.5
133.10172	16.2
135.08051	6.2
135.11705	12.4
137.09610	6.6
139.11151	4.4
141.07191	2.1
142.07748	2.9
143.08580	9.6
145.10115	19.1
147.08041	6.5
147.11739	10.9
149.09650	11.1
149.13246	6.8
155.08577	2.6
157.10155	7.2
159.11691	12.9
161.09622	7.2
161.13251	8.6
163.11176	8.5
163.14890	4.4
169.10205	2.9
171.11671	4.7
173.13266	6.4
175.11217	8.1
177.12729	3.6
183.11888	2.3
185.13243	3.4
187.14828	5.1
189.11234	7.0
199.11342	1.9
199.14862	3.6
201.16382	2.4
215.14444	2.4
217.15808	3.2
221.15556	2.4
227.12798	8.7
227.17865	2.5
229.14258	2.6
241.14384	4.6
243.21080	3.2
244.03802	2.1
245.19069	3.7
255.17453	3.5
257.18933	2.1
259.20566	3.8
261.22110	9.8
267.16037	5.9
273.18506	33.8
275.20367	2.1
291.19604	20.6
332.51712	2.2
333.24454	4.0
335.25839	84.6
336.26251	3.8
347.22269	12.3
349.23770	2.6
365.23245	12.6
409.48889	2.1
420.58859	2.5
425.06445	2.6
489.35635	6.0
527.36774	5.2
529.39032	6.2
557.37817	3.3
585.41406	2.7
600.03009	2.5
607.43103	3.7
625.44550	22.6
643.45490	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	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.4
65.03936	4.8
67.05511	95.8
67.72572	2.6
69.03437	16.2
69.06741	3.4
69.07079	60.9
69.22008	28.5
71.05000	23.2
73.02923	6.7
79.05501	92.2
81.03430	26.3
81.07067	91.4
83.04973	14.7
83.08627	13.6
85.02892	8.4
85.06545	4.4
91.05485	61.4
93.06489	5.6
93.07053	86.5
95.04994	14.5
95.08616	69.5
97.02883	8.4
97.05923	5.0
97.06538	86.3
97.10188	6.6
98.21516	7.1
99.08133	7.1
105.04535	5.7
105.07037	53.4
107.04955	11.3
107.08611	46.5
109.02879	5.1
109.06525	19.2
109.10167	23.1
111.04448	3.2
111.08054	3.0
115.05457	5.2
115.07584	28.8
117.07025	20.5
119.08598	32.6
121.06489	8.0
121.10145	31.8
123.08081	8.8
123.11671	5.1
127.03915	6.9
128.06265	5.4
129.06998	10.9
131.08588	25.0
133.06528	6.3
133.10127	29.2
135.08040	16.8
135.11694	15.7
137.09602	5.1
143.08527	8.6
145.06456	5.2
145.10095	23.0
147.08008	6.2
147.11714	16.7
149.09641	5.9
149.13243	17.2
151.11165	5.2
155.08566	4.8
157.10167	7.9
159.08018	5.8
159.11707	12.1
161.09676	9.1
161.13277	5.9
171.11684	8.9
173.04465	4.8
173.13283	9.0
175.11244	5.7
175.14778	5.4
177.12727	2.8
177.79489	2.6
181.10197	3.0
183.11742	7.0
185.13295	4.0
195.13832	5.3
199.14886	4.7
217.15887	10.6
227.17955	6.2
233.15480	4.1
245.18880	5.6
253.14206	3.1
255.17502	3.7
261.22168	7.7
269.17438	13.1
273.18475	40.2
275.19989	3.8
291.16711	4.1
291.19467	19.1
317.24570	3.8
335.25821	100.0
347.22232	15.0
365.23230	12.7
455.60797	3.3
529.38928	26.9
567.41003	3.4
607.43555	6.8
625.44489	19.5
643.45264	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	842.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.8
70.06597	1.0
71.04988	0.8
71.50914	0.4
72.08163	0.3
77.03947	0.6
79.05496	1.0
81.03426	11.2
85.02902	1.6
86.09714	0.7
91.05487	56.2
92.05844	0.7
95.04986	0.7
97.02895	5.1
99.04481	2.0
105.03397	1.0
105.07008	2.1
107.04963	27.3
108.05270	1.2
109.02887	24.4
110.03210	0.8
114.76646	0.3
115.05450	5.3
117.07034	3.5
119.04939	1.6
125.65293	0.3
127.03925	30.3
129.06979	0.5
133.06503	9.4
133.16832	0.4
137.05923	0.4
139.03917	0.7
143.04944	2.7
145.06494	1.1
159.04477	0.5
161.05991	100.0
162.06319	2.0
169.04990	9.7
171.04410	6.0
171.05739	0.5
171.08104	0.4
179.07039	17.0
180.07436	0.5
189.05507	4.0
195.07956	0.4
199.07542	0.6
207.06569	0.8
209.05975	0.4
211.05995	1.1
223.07559	0.7
229.07094	4.6
249.07603	10.9
251.07024	0.4
257.07922	0.4
269.08002	1.0
274.27429	0.4
285.07584	0.4
287.09146	6.1
289.08978	1.6
297.07449	0.4
305.10062	0.6
315.05197	0.7
315.08655	9.9
333.09705	1.1
347.11136	0.7
357.09790	0.6
375.10718	2.0
435.12848	1.2
495.14819	2.8
669.12213	0.4
701.20215	1.7
862.41595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	0.5
69.47651	1.1
69.48080	1.1
69.49200	0.3
71.04983	0.3
77.03925	0.5
79.05502	1.2
81.02937	0.5
81.03416	10.7
83.01390	0.4
85.02932	0.7
91.05481	54.1
92.05839	0.7
95.04952	0.6
97.02892	5.6
98.20757	0.4
98.21329	0.9
99.04469	1.9
103.05460	0.4
105.03415	1.3
105.04510	0.5
105.07025	1.9
107.04955	25.6
109.02881	21.1
115.05453	4.7
117.07018	3.6
117.64944	0.4
119.04969	1.6
127.03917	30.4
133.06487	9.7
139.03954	0.6
143.04939	2.4
145.06476	0.9
147.04413	0.5
152.31660	0.3
155.08589	0.5
161.05977	100.0
162.06328	2.1
169.04961	9.5
171.04408	6.1
171.08078	0.4
179.07031	18.1
183.08241	0.4
187.05962	0.6
189.05466	4.5
199.07513	0.6
200.22594	0.3
205.05168	0.3
207.06595	0.9
209.05891	0.5
211.06004	1.1
229.07086	4.9
231.06456	0.5
240.42331	0.3
249.07602	12.7
269.08020	1.8
287.09125	6.5
289.09198	1.5
297.07434	0.5
305.10184	0.4
315.08597	11.1
316.08875	0.4
333.09641	0.4
347.11105	0.8
375.10724	2.5
435.12619	1.2
495.15045	3.3
526.25244	0.4
549.90906	0.4
699.70648	0.4
701.20526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	0.8
70.06597	1.0
71.04988	0.8
71.50914	0.4
72.08163	0.3
77.03947	0.6
79.05496	1.0
81.03426	11.2
85.02902	1.6
86.09714	0.7
91.05487	56.2
92.05844	0.7
95.04986	0.7
97.02895	5.1
99.04481	2.0
105.03397	1.0
105.07008	2.1
107.04963	27.3
108.05270	1.2
109.02887	24.4
110.03210	0.8
114.76646	0.3
115.05450	5.3
117.07034	3.5
119.04939	1.6
125.65293	0.3
127.03925	30.3
129.06979	0.5
133.06503	9.4
133.16832	0.4
137.05923	0.4
139.03917	0.7
143.04944	2.7
145.06494	1.1
159.04477	0.5
161.05991	100.0
162.06319	2.0
169.04990	9.7
171.04410	6.0
171.05739	0.5
171.08104	0.4
179.07039	17.0
180.07436	0.5
189.05507	4.0
195.07956	0.4
199.07542	0.6
207.06569	0.8
209.05975	0.4
211.05995	1.1
223.07559	0.7
229.07094	4.6
249.07603	10.9
251.07024	0.4
257.07922	0.4
269.08002	1.0
274.27429	0.4
285.07584	0.4
287.09146	6.1
289.08978	1.6
297.07449	0.4
305.10062	0.6
315.05197	0.7
315.08655	9.9
333.09705	1.1
347.11136	0.7
357.09790	0.6
375.10718	2.0
435.12848	1.2
495.14819	2.8
669.12213	0.4
701.20215	1.7
862.41595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15277	0.2
65.03957	0.6
68.99798	0.3
69.03434	0.7
70.06596	0.4
71.04993	0.5
72.08138	0.2
77.03931	0.3
79.05494	0.6
81.03423	11.6
83.01352	0.4
83.04973	0.2
85.02915	1.3
86.09697	0.2
88.75319	0.2
91.05484	61.5
92.05812	0.7
95.04980	0.7
95.42026	0.2
97.02291	0.3
97.02898	5.4
98.20621	0.2
99.04462	1.7
103.05459	0.4
105.03397	1.4
105.04491	0.4
105.07040	1.7
107.04961	19.7
108.05283	0.4
109.02885	22.3
109.49762	0.2
110.03185	0.2
115.05451	4.8
117.06222	0.3
117.07021	4.4
119.04929	1.2
123.59021	0.2
125.02298	0.3
127.03922	29.8
128.04280	0.4
129.07013	0.2
131.04886	0.3
133.06500	10.3
134.18538	0.2
139.03918	0.5
141.05513	0.3
143.04939	2.5
143.08630	0.2
145.04973	0.4
145.06451	1.1
147.04424	0.5
161.05986	100.0
162.06329	1.4
167.08578	0.4
169.04974	8.2
170.05389	0.2
171.04410	6.2
171.07953	0.2
172.04744	0.3
178.73753	0.2
179.07040	16.4
180.07413	0.2
181.06445	0.4
183.08057	0.4
187.03860	0.2
187.05975	0.5
189.05472	3.6
195.08035	0.4
199.03961	0.2
199.07579	0.5
207.06523	0.7
209.06055	0.4
211.05984	0.9
223.07648	0.4
227.07112	0.2
229.07083	4.5
230.01309	0.3
231.06477	0.5
239.06981	0.2
243.10095	0.2
249.07587	10.4
251.07018	0.2
257.08060	0.3
269.08060	1.4
285.07477	0.2
287.09171	5.1
289.09171	1.7
297.07468	0.5
305.10077	0.4
315.08624	11.0
316.09198	0.2
333.09583	0.8
347.11130	0.6
357.09573	0.3
375.10669	2.4
407.13333	0.6
435.12900	0.8
469.15851	0.3
475.59000	0.2
495.15024	3.1
496.71689	0.2
526.23602	0.2
701.21027	1.3
788.70978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09972	0.3
65.40345	0.4
69.82385	1.6
71.04978	0.4
76.08055	0.3
79.05492	0.8
81.03425	10.1
85.02911	1.1
91.05489	53.0
92.05801	0.8
95.04969	0.5
97.02903	6.1
98.20778	0.4
99.04474	2.1
101.31735	0.4
103.05514	0.5
105.03419	0.7
105.04523	0.4
105.07039	1.5
107.04965	25.0
109.02892	22.7
109.08678	0.4
110.03214	0.4
115.05458	4.1
117.07036	4.2
119.04955	1.5
119.43742	0.3
127.03930	30.8
131.04942	0.4
133.06505	9.6
139.03923	0.5
143.04936	2.2
145.06505	1.2
161.05992	100.0
162.06352	1.2
169.04979	8.0
171.04437	5.4
171.08041	0.5
179.07051	15.5
183.08043	0.4
189.05463	3.4
199.07512	0.6
207.06563	0.5
209.06021	0.6
211.05986	0.4
229.07091	3.7
231.06633	0.4
239.07161	0.4
249.07602	10.0
269.08063	1.2
287.09171	5.1
289.09174	1.5
312.96814	0.4
315.08615	11.3
316.08997	0.5
333.09680	0.4
347.11307	1.0
375.10861	1.8
407.13263	0.5
435.12967	0.9
439.39084	0.4
490.73849	0.4
495.15051	2.8
701.19897	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93473	0.2
65.03937	0.4
66.67670	0.2
69.03445	0.5
69.30128	2.1
71.04995	0.6
77.03917	0.5
79.05505	0.7
81.03417	11.3
83.01380	0.3
85.02917	1.2
91.05482	60.7
92.05816	0.8
95.04936	0.7
97.02896	5.7
99.04466	2.0
103.03973	0.4
103.05460	0.5
105.03396	1.1
105.04476	0.3
105.07056	1.7
107.04961	19.2
109.02882	22.1
110.03203	0.2
115.05453	5.2
117.07021	3.4
119.04965	1.8
127.03920	31.1
128.04247	0.3
133.05484	0.5
133.06494	10.3
139.03883	0.6
141.05408	0.3
143.04941	2.3
144.19647	0.2
145.06499	0.9
157.06487	0.3
160.75719	0.3
161.05981	100.0
162.06316	1.5
169.04971	9.1
171.04420	6.1
171.08073	0.6
172.04788	0.3
179.07034	17.6
180.07356	0.4
181.06514	0.5
183.07993	0.3
187.05991	0.6
189.05473	4.2
197.05904	0.4
199.07506	0.6
205.04976	0.4
207.06503	0.7
211.06030	0.7
221.08150	0.5
223.07524	0.3
227.06995	0.4
229.07091	5.3
231.06487	0.7
233.75357	0.2
238.18036	0.2
239.06998	0.3
241.08745	0.3
243.10321	0.4
249.07573	12.5
251.06932	0.5
269.08002	1.4
287.09137	7.3
289.09109	1.3
305.10275	0.5
315.08627	12.9
323.39264	0.3
333.09644	0.8
347.11179	0.5
357.09741	0.3
358.37830	0.3
375.10733	2.5
435.12701	1.0
494.06641	0.3
495.14996	3.3
701.19983	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.7
65.39301	1.1
69.03440	5.9
71.50960	1.9
72.93789	3.7
81.03416	3.3
85.02510	1.3
85.02919	13.8
90.94849	2.6
91.05485	1.9
95.96845	1.0
97.02911	10.0
98.97593	1.8
99.04461	1.3
99.70050	1.1
100.54872	1.1
107.04939	2.3
109.02884	3.1
112.22080	1.3
118.94354	1.2
119.04963	8.7
122.03658	1.2
127.03911	4.2
131.04965	1.2
132.95842	4.2
133.02766	1.7
137.05984	51.6
144.95822	3.7
145.04988	1.6
147.04419	29.0
149.05922	1.9
150.92412	1.6
150.96916	1.1
158.97420	8.3
163.07446	1.2
168.93500	1.7
168.95779	2.2
170.97356	1.6
174.96941	2.4
176.98430	4.3
179.07027	4.8
180.93573	1.9
186.96880	5.0
192.97888	1.3
192.99554	2.1
194.97437	8.6
198.94681	1.6
198.96878	3.9
204.97900	1.3
208.98930	1.7
209.96077	5.4
210.96901	1.8
212.98453	4.5
216.97916	6.3
226.95615	4.4
234.98993	18.7
235.97652	3.4
236.98553	1.5
241.01598	1.1
244.96671	3.2
247.97798	1.9
251.00037	12.1
252.95633	17.3
254.95193	1.6
263.00000	1.3
265.36447	1.3
269.01059	8.1
270.96695	2.9
272.98444	1.8
275.99298	10.7
286.97720	11.0
293.01041	4.2
311.02106	5.1
314.10910	1.3
323.02048	5.1
339.01617	1.4
347.02133	4.8
353.03046	2.0
383.04166	9.1
395.04285	4.5
401.04932	1.7
411.05792	2.8
413.05319	100.0
414.05466	2.2
419.01935	10.3
431.06287	5.0
449.03033	30.8
467.04001	8.2
631.96277	1.3
764.11554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.2
67.05511	7.1
69.03431	4.6
69.07078	2.1
69.47124	2.5
69.47548	2.1
73.02911	3.9
79.05498	5.0
81.03426	2.7
81.07063	6.5
83.08590	0.8
85.02910	5.2
88.42207	0.7
91.03975	2.7
91.05487	2.9
93.07054	5.3
95.04979	1.3
95.08611	4.6
97.02898	5.6
97.06547	0.9
99.04457	1.2
101.02403	2.0
102.05565	1.8
105.07047	2.2
107.08606	2.4
109.02880	1.2
109.10166	1.6
111.32827	0.8
117.07075	0.9
121.10174	1.6
124.57278	0.6
127.03908	1.6
131.08603	1.9
135.11809	0.8
145.10133	1.0
147.11745	1.1
224.09937	0.7
243.08508	1.5
347.18488	3.4
452.11606	0.6
508.09821	0.7
519.29285	8.3
559.94293	0.9
565.26563	2.7
843.48608	100.0
844.48975	6.6
859.15216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.3
67.05515	6.8
69.03443	3.9
69.07074	2.4
71.05000	1.0
71.17149	1.6
73.02917	3.3
79.05496	4.6
79.57432	0.7
81.03458	1.8
81.07069	5.4
83.08628	0.9
85.02910	5.0
87.07849	0.8
91.03979	2.6
91.05496	3.4
93.07053	3.2
95.08625	3.8
97.02913	3.2
97.10191	0.7
101.02396	0.9
102.05537	5.8
103.05969	0.8
105.07075	1.5
107.05007	0.8
107.08607	2.4
117.07032	1.2
119.08624	1.8
121.10168	1.5
123.08037	0.9
127.03966	1.2
131.08597	1.3
133.10178	1.1
147.11699	0.9
178.26886	0.7
194.52924	0.8
214.50949	0.7
243.08508	2.0
347.18372	4.8
360.27594	0.7
385.51520	0.8
519.29395	4.8
565.26184	4.6
750.05951	0.9
843.48633	100.0
844.48883	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	845.25
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73893	0.6
65.03948	2.1
68.16868	0.6
68.99799	0.9
69.03436	12.9
70.06594	0.9
70.80246	1.2
71.05007	3.5
73.02914	1.2
81.03419	70.5
82.03796	0.7
85.02908	12.9
91.05482	100.0
92.05823	1.3
95.04953	0.8
97.02892	10.3
99.04456	11.3
103.05481	1.3
105.03395	2.5
105.07031	3.3
109.02884	50.4
111.04424	0.9
115.03963	1.1
115.05447	15.0
117.07017	21.7
119.04945	14.6
123.98313	0.8
125.02381	1.7
127.03919	79.4
129.06999	1.8
131.04895	0.9
133.06499	8.7
139.03940	0.8
141.05507	2.2
141.06960	0.7
143.04938	10.9
145.04965	4.8
145.06473	10.1
147.04424	2.5
153.07022	1.3
155.03404	0.9
155.04877	0.8
155.06064	1.4
155.08557	1.2
157.06511	1.3
161.05988	72.4
162.06352	1.7
165.06996	1.0
169.04976	19.3
169.06372	1.3
171.04402	16.1
171.08083	1.5
179.07050	11.1
179.08560	1.1
181.06485	2.8
183.08099	2.3
185.05939	0.8
187.06021	8.9
189.03766	1.0
189.05467	17.3
195.08067	1.6
197.06082	1.0
199.07616	2.5
203.07042	1.1
207.06487	1.7
209.05920	3.7
217.05002	3.9
223.07539	4.5
225.09233	2.3
227.07048	1.8
229.07100	8.9
233.08040	1.1
235.06081	2.4
239.07054	0.9
241.08638	1.7
245.08076	1.2
249.07535	0.8
251.07086	1.9
253.07103	1.0
269.08087	8.2
273.07755	0.7
287.09122	6.4
289.09296	0.9
297.07684	2.5
298.55637	0.7
305.10229	8.5
315.08652	9.1
333.09695	2.6
347.11365	3.7
357.09665	1.3
375.10867	2.9
393.11929	1.2
407.13528	1.0
431.13626	0.9
435.13043	2.5
441.11612	0.9
459.12994	1.0
465.15338	0.8
477.13968	1.3
519.14838	0.7
523.14520	1.3
527.92877	0.7
845.24518	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.481
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97781	1.2
69.76129	3.9
69.76564	4.2
72.95522	1.2
75.49493	1.1
77.46031	1.4
81.85658	1.3
85.82626	1.4
122.90770	1.3
845.48151	100.0
846.48297	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	845.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.1
67.05509	6.1
69.03450	3.4
69.07082	1.3
69.44204	4.5
71.01351	0.7
73.02917	2.8
79.05498	3.5
81.03410	1.0
81.07059	4.6
83.04966	1.0
83.08646	0.6
85.02916	4.5
91.03979	2.8
91.05490	2.8
93.07049	4.3
95.04969	1.1
95.08611	3.6
97.02895	3.2
98.21544	1.2
101.02402	1.6
105.07047	2.4
107.08630	2.5
109.02914	0.9
109.10179	1.5
119.08601	0.9
121.10175	2.0
127.03931	1.1
131.08609	0.8
133.10133	1.0
135.11761	0.8
164.00064	0.7
218.72452	1.0
243.08507	2.5
274.77734	0.8
312.24820	0.7
349.19824	3.3
351.24637	0.8
405.23376	0.7
519.29474	6.6
519.96179	0.7
567.27863	1.6
845.50232	100.0
846.51086	7.2
865.51440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	5.3
67.05511	5.3
69.03441	3.7
69.07083	1.9
69.20994	5.0
71.01359	0.8
71.05002	0.8
73.02935	3.7
79.05494	4.3
81.03435	2.0
81.07060	6.1
83.04969	0.9
83.08636	0.5
85.02905	4.6
87.06760	0.5
91.03954	3.4
91.05473	2.9
93.07051	4.5
95.04986	0.7
95.08623	4.1
97.02896	5.2
97.06547	1.3
99.04441	1.1
101.02425	1.4
105.07072	2.2
107.08605	2.9
109.02911	1.2
109.06543	0.9
109.10180	2.1
117.07066	0.8
119.08628	1.0
121.10183	1.9
123.11725	0.7
127.03949	1.2
131.08543	0.9
132.64218	0.5
133.10222	1.5
135.11722	0.8
146.70407	0.5
147.11769	0.8
149.13347	0.6
155.35269	0.6
179.96919	0.5
184.07387	0.7
185.04303	0.7
204.33214	0.5
210.60184	0.5
243.08440	1.8
251.12694	0.5
255.23062	0.6
274.13547	0.5
335.25873	1.1
349.19888	6.6
349.23190	0.5
453.21429	1.1
519.29504	5.9
567.27899	3.2
717.41791	1.4
731.43378	0.8
761.44647	0.7
845.50208	100.0
846.50470	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	847.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01821	3.6
70.06551	1.0
75.91154	0.8
81.03424	9.2
85.02911	2.4
91.05486	16.9
92.05820	0.8
97.02898	3.1
99.04455	1.2
103.03954	1.9
107.04967	6.9
109.02894	8.8
115.05499	1.0
117.06996	1.6
125.02147	1.1
127.03920	13.1
138.31172	0.8
149.02110	1.0
157.06250	1.4
161.05972	6.7
162.06285	0.9
169.04997	2.2
171.04373	0.9
179.07118	1.5
191.03180	1.6
201.05270	4.2
209.04292	1.4
229.07166	1.1
237.06270	0.9
247.05792	29.2
251.05331	2.7
269.06311	4.3
302.04099	0.7
311.07312	3.5
329.08386	6.1
333.09863	0.7
355.07956	3.3
373.08951	8.3
397.09036	1.5
415.10010	12.4
415.15649	0.9
442.71475	0.8
457.11124	11.1
475.12286	7.8
478.00327	0.9
517.13232	20.9
535.14276	35.9
646.93042	0.9
723.18518	1.3
741.20013	100.0
742.20380	6.1
847.23816	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	847.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81953	0.6
62.96906	0.6
63.62689	0.5
65.80027	0.6
68.49053	0.6
69.03439	1.4
70.06603	1.3
70.44859	1.6
72.92325	0.6
73.54625	0.6
76.85577	0.7
81.03419	11.3
82.03761	1.2
85.02923	3.4
89.78608	0.6
91.05489	17.8
92.05840	2.1
97.02921	2.9
99.04467	1.6
103.03960	2.7
107.04970	8.2
109.02893	9.7
110.03229	0.8
115.05485	1.5
117.07037	1.9
119.04971	1.0
121.06517	0.6
125.02151	1.2
127.03934	12.5
128.04250	1.0
131.95358	0.6
133.06537	1.2
137.05949	1.2
145.06520	0.9
147.04419	0.7
149.02122	1.2
151.03979	0.7
157.06296	0.8
160.78398	0.7
161.06001	7.9
162.06332	1.7
169.05025	2.9
171.04536	0.8
179.07060	1.5
187.06023	0.9
189.05452	0.6
191.03253	0.9
201.05251	3.1
209.04253	0.8
229.07170	0.7
247.05798	26.2
251.05310	1.9
251.35680	0.6
269.06219	3.3
289.06894	1.3
311.07312	5.7
329.08459	5.3
333.10007	0.9
355.07950	3.7
373.08969	7.9
394.55801	0.6
397.09024	0.7
415.10028	9.5
457.11038	9.8
475.12183	8.2
517.13226	18.9
535.14252	39.8
536.14899	1.3
594.05035	0.6
681.17542	0.8
723.19354	1.8
741.20038	100.0
742.20422	6.5
847.24384	5.2
867.48401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	2.8
59.33903	0.5
61.02929	9.3
65.03946	3.3
67.05508	91.3
68.05848	0.7
68.16609	0.5
69.03434	2.2
69.07072	7.6
69.36082	4.7
70.50081	0.8
71.05006	2.4
73.02921	2.3
77.18227	0.6
79.05495	19.1
81.03436	0.8
81.07060	32.4
82.07472	0.7
83.04971	0.8
83.08621	6.3
85.02907	11.1
85.03381	1.0
85.06547	2.4
91.03954	7.5
91.05481	13.9
93.07050	20.7
95.05003	1.0
95.08610	24.4
96.29015	0.6
97.02906	6.8
97.06525	1.2
97.10196	1.7
99.04421	0.9
99.08078	1.0
105.07038	6.6
105.73775	0.6
107.08598	12.5
109.06540	1.0
109.10162	74.1
111.08103	3.2
111.52460	0.6
117.07000	3.5
119.08588	10.3
119.09376	0.9
121.10142	10.8
123.11779	3.7
125.09666	1.1
127.03975	2.9
131.08589	5.6
133.10133	4.6
135.11713	7.4
137.09601	3.7
137.13275	1.0
145.04982	4.3
145.10120	4.1
147.11702	3.7
149.13231	4.3
155.10690	6.9
159.11684	2.6
161.13284	2.5
161.95480	0.6
163.06056	4.5
163.14825	2.2
165.12758	0.7
173.11775	17.2
173.13264	2.8
175.14813	0.8
177.16393	0.7
184.07425	0.6
187.14822	1.5
189.11238	1.2
211.28981	0.6
227.12799	6.2
229.14363	100.0
230.14664	1.8
233.22620	0.7
243.21114	4.7
243.43130	0.7
261.22171	18.7
276.78134	0.7
317.24783	3.8
321.18921	0.6
335.25818	69.3
336.26187	1.9
379.29846	1.8
397.31003	2.2
415.31946	2.0
471.34424	2.5
489.35760	48.7
490.35980	2.3
507.36899	6.6
591.28229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.3
61.02932	10.9
62.31783	0.6
65.03939	2.6
67.05509	100.0
69.03436	0.9
69.07073	7.7
69.87311	1.3
69.87700	2.2
71.05000	2.9
73.02931	3.4
79.05503	20.5
81.03420	1.5
81.07061	41.0
83.05013	1.3
83.08614	9.4
85.02908	12.7
85.06557	2.6
90.23391	0.8
91.03957	8.8
91.05481	14.7
93.07050	29.1
95.04998	1.1
95.08614	27.3
96.80093	0.8
97.02894	7.6
97.06554	1.9
97.10203	1.5
98.21423	1.3
99.04464	1.2
99.08114	1.4
105.07036	7.6
107.08607	14.9
109.10165	72.4
110.10527	1.0
111.08117	3.4
117.07056	2.2
118.34351	0.7
119.08596	11.4
121.10143	11.5
123.11742	3.3
125.09637	1.0
127.03931	3.2
131.08572	5.7
133.10167	5.9
135.11694	8.8
137.09666	3.3
145.05005	3.5
145.10118	4.9
147.11731	3.4
149.13263	5.1
151.63632	0.7
155.10674	5.4
159.11737	5.0
161.13306	3.5
163.06038	3.8
163.14868	3.3
173.11801	17.4
173.13322	4.4
175.14804	2.0
177.16414	1.1
187.14848	1.9
189.11342	2.0
227.12738	4.7
229.14372	79.1
230.14771	1.2
243.21176	5.4
261.22141	20.4
317.24817	3.9
335.25815	66.8
336.26285	2.3
379.30005	1.3
397.30948	1.1
401.25748	0.8
471.35022	1.0
489.35800	64.8
490.36386	3.1
507.37146	5.8
647.89392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	6.6
65.03954	5.3
67.05510	100.0
68.05834	5.2
69.03421	17.4
69.07076	24.1
70.06596	3.8
71.01337	3.8
71.04989	4.6
71.51540	4.1
77.14290	3.3
79.05069	6.1
79.05499	76.1
81.03419	63.6
81.07065	72.2
83.04964	10.1
83.08613	9.4
85.02911	25.9
91.05485	57.9
93.07045	70.3
95.01330	5.4
95.04990	29.5
95.08070	4.2
95.08617	53.5
97.02908	23.3
97.06541	8.4
97.10164	4.7
105.04523	5.1
105.06487	3.5
105.07041	35.9
107.04955	17.0
107.08603	37.7
109.02895	12.6
109.06499	10.5
109.10159	35.1
110.10493	5.8
111.04465	3.5
111.08060	5.3
115.05388	5.3
117.07034	19.8
119.04924	6.4
119.08569	30.7
121.02876	4.1
121.06524	21.8
121.10146	23.4
123.04462	3.5
123.08077	9.0
123.11703	8.0
125.02341	6.0
127.03929	18.6
128.06210	5.5
129.07004	18.1
131.04909	4.8
131.08601	25.7
133.06448	9.0
133.10162	23.3
135.04414	5.3
135.08029	8.3
135.11699	23.1
137.05951	7.3
137.09605	4.7
143.08568	9.8
145.04961	7.3
145.06482	7.0
145.10129	22.5
147.04433	8.3
147.08047	7.8
147.11661	11.1
149.02351	3.8
149.09595	7.6
149.13237	15.6
151.11165	5.4
155.08549	5.5
157.10118	10.8
159.08095	3.9
159.11710	16.9
161.09766	4.1
161.13231	16.4
163.11209	5.4
169.10120	6.4
171.11687	20.2
173.09605	5.8
173.11711	8.9
173.13277	13.3
175.14861	3.8
177.12781	11.3
179.14336	4.4
183.06520	6.1
185.09660	3.7
187.14841	10.9
189.12762	7.1
193.04950	4.3
207.11862	5.0
207.13824	43.4
215.14365	5.4
219.13805	5.7
229.14346	22.0
230.14665	7.2
233.15390	5.1
243.20993	3.5
244.21701	3.6
261.14978	16.8
261.22141	15.3
262.22406	4.1
273.14966	4.3
279.16058	3.8
289.14322	37.7
293.17642	4.6
305.17450	5.4
307.15482	40.3
325.16418	14.7
335.15027	15.8
335.25793	28.9
336.26169	12.7
351.22879	5.1
353.15942	16.1
387.25171	4.3
396.18982	3.5
427.19644	22.0
443.27911	3.7
461.28775	4.7
479.30060	13.4
489.35419	9.4
490.35846	14.2
571.23511	6.3
613.37567	4.9
687.40991	45.8
849.45715	10.3
850.38696	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	851.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03954	0.7
67.05511	1.3
68.99792	0.5
69.03430	1.5
70.06590	2.7
71.05000	1.0
71.51093	0.4
72.08163	0.5
72.88383	0.3
78.04728	0.3
79.05504	1.2
81.03409	2.4
81.07059	4.0
82.07374	0.4
83.04973	0.4
84.04500	0.4
84.08150	1.6
85.02910	2.4
86.09710	1.0
87.00844	0.4
91.05476	2.6
93.07053	1.3
94.06579	0.7
95.04994	1.0
95.08595	0.7
97.02901	1.3
99.04457	0.6
103.05462	0.4
105.04497	0.5
105.07031	0.5
107.04969	1.0
107.08617	0.4
108.04521	0.6
108.08136	0.9
109.02877	5.1
109.10223	0.4
110.03227	0.4
110.07205	0.3
111.04448	0.9
115.08669	0.4
117.06987	0.4
120.08118	0.8
121.10062	0.3
122.06018	2.7
122.85341	0.3
126.05499	0.7
127.03930	2.5
128.04242	0.4
129.10243	0.7
131.04939	0.6
131.08643	0.5
132.08130	0.4
133.10130	0.4
135.11703	0.4
136.07585	68.6
137.05991	2.3
137.07947	0.7
137.13295	0.5
140.07065	1.5
142.14516	0.3
147.04366	0.6
148.07553	0.6
150.05551	0.4
150.09186	0.4
151.03957	0.6
152.59824	0.3
154.08701	0.5
161.06015	0.4
162.05521	1.0
163.07552	0.5
164.07076	100.0
165.05554	0.3
165.07379	1.8
167.07057	0.9
170.09668	0.5
177.05562	0.3
178.60045	0.3
181.04932	0.7
182.08145	8.0
182.81651	0.3
188.03407	1.6
191.07094	0.4
198.09131	2.1
212.10788	0.6
215.11848	1.7
224.09171	0.5
226.08664	0.8
227.11769	0.5
230.08157	0.4
231.04962	0.5
234.08949	0.5
238.63820	0.3
240.10333	0.6
243.11325	9.2
255.11253	0.7
257.12851	0.8
272.09167	1.0
285.12350	15.4
290.10263	2.8
303.13419	2.6
308.11298	11.1
317.14749	0.5
323.10156	0.6
326.12347	6.6
393.14496	0.6
403.12360	0.5
411.15622	2.4
429.11697	0.3
429.16702	3.1
443.17834	1.1
447.17603	1.4
479.19995	0.5
490.62289	0.3
625.21301	0.6
630.20105	0.6
648.21423	0.4
666.22931	13.5
667.22711	1.1
733.24945	0.4
851.42334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.3
67.05505	2.2
69.03407	0.7
70.06597	1.5
70.81986	1.1
77.03954	0.7
79.05495	1.3
81.03422	3.0
84.08118	0.6
85.02892	0.9
86.09705	1.0
86.98595	0.5
87.08698	0.5
89.03947	0.6
91.05476	2.9
92.05049	0.9
92.47736	0.5
93.05785	1.7
93.07056	1.6
94.06573	4.5
95.04998	1.2
96.08150	1.4
97.02885	0.9
103.05452	0.8
106.06556	0.6
107.04967	1.8
107.07313	0.7
108.08128	8.8
109.02900	4.7
110.09703	1.5
116.04991	0.8
118.06508	1.0
120.04456	1.3
120.08090	2.9
122.06036	9.3
122.09676	0.7
122.11575	0.5
124.07589	3.2
126.05533	1.1
127.03944	1.2
128.87872	0.5
131.04854	0.5
134.06038	1.0
135.06773	0.5
136.07584	93.1
137.05986	1.3
137.07935	1.2
138.09123	3.2
140.07047	2.0
144.04466	1.9
146.05998	8.2
148.03932	1.5
148.07581	2.5
150.05472	1.0
150.09152	1.3
152.07057	1.9
154.08655	0.8
154.79372	0.5
156.08087	0.6
160.03935	2.4
162.05519	4.9
164.07074	100.0
165.07419	1.2
166.08636	3.6
167.07060	0.9
170.09676	1.0
172.03952	11.3
174.05511	7.2
176.06966	0.7
178.08687	0.7
180.06541	0.8
182.08165	8.4
182.09647	0.8
184.09755	0.6
186.05548	0.5
187.12299	1.0
190.03358	0.9
190.04976	8.1
194.08073	0.8
194.09679	0.6
196.09871	0.7
198.09172	4.3
202.08647	0.9
204.06572	29.3
205.06990	0.8
205.80746	0.5
205.90515	0.6
206.08109	1.6
210.09267	0.6
210.11247	0.5
211.12247	2.3
212.10736	0.8
213.13831	0.8
215.11824	3.7
223.08659	0.6
223.12302	0.7
224.09155	1.7
225.10191	0.7
226.08566	1.5
227.11754	0.7
229.13332	1.4
230.07980	0.6
234.09192	0.8
235.08745	0.6
236.09480	1.7
239.11746	2.3
240.10155	0.9
241.09644	1.5
241.13235	1.1
243.11311	21.6
251.11786	3.3
253.09726	0.6
253.13371	0.8
255.11284	1.5
257.12845	1.7
264.08868	1.7
265.09674	0.6
267.11279	0.7
269.12836	1.4
273.12534	0.6
279.11258	5.6
281.12842	1.3
285.12354	26.5
286.12729	0.6
290.10199	4.2
292.08420	1.3
293.09250	1.3
297.12338	9.6
301.11783	1.4
303.13373	3.5
307.10870	4.7
308.11295	7.0
309.12134	1.4
317.15039	1.2
324.11124	0.9
325.11847	21.2
326.12326	2.9
329.14981	0.9
335.10263	1.0
339.13284	2.0
341.14941	1.9
342.11755	0.8
343.12732	1.9
357.14423	18.8
358.15021	1.0
393.14203	0.9
409.79861	0.6
411.15610	2.9
429.16605	4.1
433.13791	0.7
447.17584	2.1
493.55405	0.5
614.20746	1.0
622.23541	0.9
632.21655	1.6
646.23920	0.8
650.23584	13.8
651.23291	0.7
664.24817	0.7
668.24323	0.7
682.14996	0.9
682.26031	11.5
683.25391	1.0
689.25421	1.5
700.27716	0.6
707.26660	0.9
725.26715	0.8
735.26477	2.7
753.27649	4.0
771.15826	0.7
771.28625	11.2
772.29205	1.1
803.31262	9.1
804.30609	0.7
835.33240	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03949	1.2
67.05511	2.1
69.03432	1.0
70.06595	2.8
71.19154	1.4
77.03928	0.8
79.05511	0.8
80.05002	0.7
81.03438	3.2
81.07066	0.9
84.04493	0.6
84.08149	2.1
85.02914	1.1
86.09714	1.6
91.05489	4.0
93.05820	0.7
93.07055	1.5
94.06593	3.6
94.47125	0.6
95.04992	2.0
95.07370	0.7
96.08186	0.7
97.02919	1.3
103.05505	0.8
103.67032	0.8
104.56814	0.6
106.06579	1.0
107.04938	1.4
108.04473	0.7
108.08121	9.5
109.02878	5.6
110.09690	1.2
115.39530	0.6
116.04959	0.8
118.06514	1.0
120.04472	2.3
120.08112	2.8
122.06041	9.2
122.09679	0.9
124.07610	3.3
126.05524	1.2
127.03947	1.2
129.10260	0.9
131.04865	0.8
134.06041	1.2
136.07579	96.5
137.05994	1.9
137.07860	1.0
138.09166	2.5
140.07051	2.3
144.04462	2.8
146.06000	9.0
147.04362	1.2
148.03940	1.5
148.07591	3.1
150.09160	1.9
152.07077	1.5
153.92909	0.6
154.08673	1.1
159.09128	0.7
160.03961	1.8
162.05521	4.5
164.07071	100.0
165.07370	1.7
166.08667	3.1
167.07037	1.5
170.09680	0.9
172.03938	10.3
174.05502	6.6
174.09076	0.9
176.07085	1.1
177.05444	1.1
179.06952	0.9
181.04895	0.8
182.08163	9.9
182.09621	1.3
186.05560	0.9
187.12331	1.1
190.04988	9.6
192.06668	1.0
196.09943	1.1
198.09196	4.5
199.12325	0.8
202.08701	0.9
203.72421	0.7
204.06564	29.9
205.07002	0.8
206.08125	1.7
208.09952	0.8
210.09056	0.8
211.12340	2.0
212.10823	1.4
214.08829	0.6
215.11732	3.8
224.09142	1.4
225.10239	1.1
226.08646	1.9
227.11861	0.9
229.13466	1.2
230.08069	1.1
234.08980	1.0
236.09390	2.0
239.11575	1.2
241.09698	0.6
241.13457	1.5
243.11302	23.8
245.54716	0.7
250.11147	0.9
251.11861	2.8
255.11311	2.4
257.12845	2.6
258.00180	0.7
264.08902	2.3
265.09637	1.1
267.11420	1.1
269.09369	0.8
269.12830	1.4
273.12350	1.0
279.11307	5.2
281.12897	1.8
283.10696	1.4
285.09085	1.5
285.12329	30.7
286.12518	0.8
290.10214	3.8
292.08383	1.0
293.09048	0.9
295.10818	0.9
297.12350	10.9
301.11819	0.9
303.10229	0.9
303.13297	4.2
307.10690	5.4
308.11188	7.6
309.12253	1.2
313.11847	0.8
317.15097	0.9
325.11819	22.0
326.12445	4.3
329.14923	1.3
339.13312	2.4
341.14865	1.5
343.12848	2.9
357.10147	1.3
357.14462	19.5
393.14352	1.9
411.15543	4.4
429.16641	4.9
443.17966	2.9
447.17633	1.9
614.21423	1.1
632.21808	1.0
648.21893	1.0
650.23456	13.4
664.24402	0.7
666.22662	0.7
668.24500	0.9
682.26001	9.3
683.26038	1.1
689.25366	1.0
698.25653	1.1
725.27667	1.0
735.25800	2.6
753.26959	2.8
771.28650	13.0
772.28229	1.3
803.31299	7.2
835.33417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31740	0.5
65.03955	1.4
65.48154	0.5
67.05511	2.6
69.03436	0.9
69.07064	0.5
69.95699	2.3
70.06596	3.6
72.08140	1.1
79.05509	1.9
81.03438	3.1
81.07052	0.7
82.06608	0.7
84.04498	0.7
84.08155	1.1
85.02906	1.0
86.09713	1.6
91.05476	4.1
92.05009	0.6
93.05805	1.3
93.07028	2.4
94.06570	3.8
95.04986	1.3
95.07362	0.6
96.04487	0.5
96.08131	1.5
97.02896	1.4
103.05492	0.7
105.04484	0.6
105.07079	0.6
106.06558	0.5
107.04971	1.8
107.07404	0.6
108.04554	0.5
108.08128	12.0
109.02880	5.6
110.07187	0.7
110.09680	1.7
111.04420	0.6
114.15490	0.5
116.04982	1.4
117.05831	0.5
118.06570	1.1
118.68540	0.5
119.04921	1.0
120.04486	2.0
120.08118	3.6
122.06049	9.0
122.09669	0.9
124.07612	2.8
126.05534	1.6
127.03915	2.1
129.10266	0.9
132.08130	0.7
134.06013	1.2
136.07585	100.0
137.06004	1.8
137.07938	1.0
138.09132	3.3
139.89565	0.5
140.07069	2.6
142.08192	0.4
144.04445	2.2
146.06029	9.1
147.04411	0.7
148.03973	1.6
148.07591	2.9
150.05490	0.8
150.09135	1.9
152.07082	1.7
154.08681	1.2
155.04611	0.4
158.06009	0.7
160.03955	2.2
160.07564	0.9
161.06006	0.9
162.05531	4.8
164.07074	97.8
165.07407	1.9
166.08679	3.8
167.07054	2.0
170.09641	1.5
172.03946	11.5
174.05513	6.4
174.09123	0.5
176.07063	1.3
177.05476	1.2
178.04930	0.6
180.06581	0.6
181.04959	0.8
182.08145	9.5
183.09122	0.5
186.05544	0.6
186.09195	0.6
187.12363	0.7
190.05002	10.3
191.07179	0.7
196.09892	1.3
198.09160	5.5
200.10844	0.6
202.08784	0.6
204.06569	30.1
205.06897	0.7
206.08096	1.6
207.06796	0.7
211.12308	2.9
212.10789	0.9
213.13853	1.1
215.11798	4.6
216.10266	0.6
223.12402	1.1
224.09183	2.5
225.10126	0.6
226.08643	2.1
227.11839	1.0
229.13353	1.9
230.08240	0.8
234.09239	0.8
236.09544	2.3
239.11780	2.0
240.10313	0.9
241.09724	1.1
241.13387	2.1
242.08194	0.7
243.11314	23.7
244.11635	0.7
251.11829	2.3
253.09601	0.8
253.13437	1.0
255.11319	2.1
257.12830	1.9
264.08945	2.0
265.09628	0.8
267.11282	0.8
269.09189	0.7
269.12827	1.4
272.09155	1.2
273.12238	1.3
279.11230	5.4
281.12796	0.8
283.10825	1.4
285.12360	28.2
287.13889	0.6
290.10303	3.1
292.08453	1.2
293.09225	1.3
295.10828	0.8
297.12393	10.6
299.14081	0.8
301.11807	1.3
303.13416	4.5
307.10794	5.4
308.11313	6.4
309.12253	1.5
313.11880	1.1
317.14914	0.8
324.11072	0.6
325.11841	19.6
326.12286	4.3
327.13101	0.8
329.14935	0.8
335.10321	1.5
339.13318	1.8
341.14932	1.6
343.12848	3.3
345.14459	1.0
353.11426	0.9
357.10150	1.0
357.14459	17.0
358.14880	0.9
375.15512	1.0
393.14481	2.4
405.14670	0.6
411.15564	3.7
425.17010	0.5
429.16666	4.1
443.18271	2.3
446.17554	0.6
447.17468	1.7
461.19299	0.6
588.19348	0.7
609.22424	0.9
618.20941	0.6
632.22186	2.1
646.23853	0.7
648.21619	0.9
650.23462	12.2
651.24280	0.5
666.22192	1.3
668.23889	0.7
680.24152	0.8
682.15411	0.7
682.26123	11.1
683.26208	1.1
683.37836	0.6
689.25305	1.5
698.25525	0.6
707.26599	1.0
725.27979	1.0
735.26465	2.6
743.28705	0.9
753.27411	3.4
771.28833	14.1
772.28467	1.1
785.30035	1.2
803.31311	7.0
804.31281	0.6
853.43176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.7
65.82908	0.6
67.05511	7.8
69.03440	3.6
69.07063	1.5
69.36561	4.7
71.04993	0.6
71.30954	0.6
73.02914	3.6
79.05501	2.3
80.19894	0.7
81.03418	2.5
81.07059	2.7
85.02909	7.1
87.04521	0.6
91.03951	3.7
91.05470	1.1
93.07056	2.2
95.08614	2.4
97.02900	6.7
97.06501	0.8
99.04446	1.1
101.02406	2.7
105.07018	1.1
107.08627	0.9
109.02863	1.3
109.10165	6.0
115.45290	0.7
121.10163	0.8
127.03937	2.3
131.08571	0.9
145.05017	1.1
145.10150	1.0
147.11668	0.8
155.10719	0.8
164.73091	0.7
173.11775	1.7
173.13158	0.8
203.05293	0.7
229.14433	0.9
243.08487	3.0
248.38992	0.7
291.19693	0.8
347.09637	2.2
365.10370	1.1
405.13608	5.7
413.17813	10.9
519.29132	5.0
532.99500	0.8
575.22943	9.4
681.34308	4.0
691.40930	2.4
839.07245	0.7
847.59558	0.8
853.45605	100.0
854.46033	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	853.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	8.0
67.05508	5.9
69.03428	4.0
69.07063	1.2
69.80199	1.2
69.80617	1.3
71.01371	0.6
71.04985	0.6
72.63365	0.5
73.02917	5.4
79.05507	2.6
81.03428	1.7
81.07062	3.3
83.09062	0.5
85.02906	7.9
85.03376	0.6
87.04513	0.7
91.03961	4.7
91.05505	2.4
93.07039	3.3
95.08588	2.6
97.02900	7.6
98.65631	0.5
99.04471	1.3
101.02407	1.9
103.03969	0.6
105.07067	0.9
105.83751	0.5
107.08622	1.6
109.02908	1.1
109.10150	4.0
121.10181	1.2
127.03949	2.1
131.08554	0.8
159.11780	0.5
173.11755	0.7
185.04231	1.0
195.10083	0.6
203.05374	1.2
206.17564	0.5
210.33519	0.5
229.14433	0.9
243.08591	1.4
251.58379	0.5
260.27145	0.5
335.25912	1.0
347.09534	2.6
350.68607	0.5
365.10788	1.2
405.13745	6.2
413.17865	5.9
519.29236	6.1
562.72375	0.6
575.23120	4.8
681.34418	6.6
682.34503	0.6
691.40747	1.5
853.45587	100.0
854.45837	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	854.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	8.3
65.03918	2.4
67.05505	62.2
69.03390	1.1
69.07069	6.0
71.04982	3.1
71.08630	18.6
71.52185	1.8
73.02898	3.0
79.05473	3.7
79.10494	1.3
81.03451	1.4
81.06595	1.3
81.07056	17.7
83.04970	1.5
83.08603	6.9
85.02911	9.9
85.06519	1.8
85.10187	9.7
87.25800	1.1
91.03945	5.9
91.05463	4.7
93.07037	6.2
95.04892	1.2
95.08601	16.4
97.02893	6.8
97.10164	4.3
103.07577	1.0
105.07019	2.0
107.08557	2.5
109.10155	63.3
111.08056	1.4
119.08582	4.3
121.10109	1.3
123.11665	2.4
127.03903	3.0
135.11633	1.4
136.01987	1.0
137.09619	2.7
137.13232	1.7
145.05014	2.2
155.10655	6.9
163.06007	4.1
173.11746	16.0
177.84073	1.1
229.14349	100.0
285.27979	1.3
335.25684	3.7
341.30505	71.6
342.30811	2.5
351.39740	1.1
401.47513	1.3
470.04440	1.3
481.99139	1.1
489.35608	3.6
495.40448	65.6
496.40689	2.6
625.43530	1.5
698.71216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.6
69.03441	0.3
69.38599	1.8
70.06609	0.4
71.05001	0.6
77.03902	0.3
79.05490	0.7
81.03419	9.2
85.02905	0.7
91.05484	100.0
92.05808	1.6
95.04960	0.4
97.02898	1.9
99.04455	1.8
102.83508	0.2
103.03906	0.2
105.07059	0.3
107.04960	20.6
109.02885	17.4
110.03149	0.3
115.05455	6.0
117.07026	1.8
119.04945	2.0
127.03924	22.9
129.06996	0.2
131.08557	0.9
133.06516	1.2
139.03902	0.5
141.05453	0.3
141.07019	0.3
143.04921	3.4
144.05675	0.5
145.06458	0.5
147.08080	0.6
151.07547	0.4
158.89093	0.2
159.08025	0.3
161.05977	11.3
169.04971	8.3
171.04424	5.8
175.07552	1.6
179.07050	9.2
179.08276	0.2
181.06517	0.4
187.06000	0.5
189.05464	2.1
193.08614	62.6
194.08945	1.3
199.07544	0.4
203.07034	9.5
209.06088	0.3
211.05969	0.6
217.08549	0.5
221.08070	3.9
229.07080	6.2
230.07323	0.3
231.06555	1.4
235.09653	4.9
263.09161	33.1
264.09482	1.3
269.08096	0.7
272.38449	0.2
280.92703	0.2
287.09189	0.7
289.09241	2.5
301.10620	0.3
315.08530	0.3
347.11227	0.4
383.23859	0.3
389.12283	0.8
509.16733	1.7
715.22137	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	0.6
69.03425	0.3
69.44405	0.8
69.44826	0.8
70.06606	0.4
71.05002	0.4
72.02587	0.2
73.51801	0.2
79.05497	0.6
81.03421	8.4
84.08116	0.2
85.02905	0.8
91.05486	100.0
92.05835	1.4
95.04967	0.5
95.14020	0.2
97.02886	2.0
98.21505	0.3
99.04445	1.2
103.03967	0.2
105.04514	0.3
105.07065	0.2
107.04961	21.8
108.05287	0.3
109.02885	16.6
115.05460	6.1
115.06284	0.4
117.07031	1.7
119.04940	1.9
127.03924	21.2
129.07031	0.2
131.08551	1.0
133.06509	1.1
139.03937	0.5
141.05463	0.5
143.04929	3.8
144.05669	0.4
145.06438	0.3
147.04427	0.4
151.07527	0.4
159.08051	0.4
161.05981	11.7
169.04968	7.8
169.06186	0.2
171.04419	5.2
171.08224	0.3
175.07527	1.3
179.07051	7.7
187.05937	0.4
189.05453	2.1
193.08615	58.1
194.08907	1.4
199.07561	0.4
203.07039	8.6
209.06024	0.2
211.05992	0.6
217.08582	0.6
221.08118	3.2
223.07491	0.4
229.07094	5.2
231.06575	1.3
235.09659	4.2
240.79242	0.2
263.09158	33.6
264.09451	0.8
269.07959	0.6
287.09097	0.6
289.09198	2.2
295.37973	0.2
297.07544	0.3
315.08871	0.5
347.11337	0.3
375.22543	0.2
389.12372	0.9
449.14343	0.2
509.16632	1.7
701.18689	0.2
715.22540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	0.4
69.03434	3.1
70.06586	0.5
71.04984	0.5
71.51144	0.2
72.08157	0.3
77.03923	0.2
79.05501	1.2
81.03423	2.8
83.01347	0.2
84.04520	0.2
84.08118	0.3
84.32970	0.1
85.02908	4.7
86.09729	0.2
91.05473	0.4
93.40707	0.1
95.04971	1.2
97.02901	3.7
99.04459	2.3
103.03969	0.3
104.58128	0.1
105.04527	0.6
107.04961	100.0
108.05290	1.3
109.02885	9.5
115.03915	0.1
119.56696	0.1
127.03922	12.0
137.06036	0.4
139.03937	0.6
145.04967	1.5
147.04427	0.2
161.05972	0.2
169.04985	2.0
179.07054	0.2
187.06030	5.2
187.07701	0.3
205.07123	0.2
213.09177	0.8
229.07077	3.9
247.08145	8.6
272.10510	0.4
423.09998	0.2
607.19519	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	862.6467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.2
67.05494	1.3
69.07086	5.7
70.08730	4.6
71.08640	30.6
73.02917	2.5
73.06557	10.1
81.07053	1.9
83.08614	3.8
85.06595	1.0
85.10188	16.9
87.04470	14.5
89.06042	100.0
90.06325	1.2
91.07594	2.0
97.10159	4.5
99.11734	2.4
107.07053	1.9
111.11736	2.7
113.13291	1.7
115.07557	1.4
117.09135	10.8
119.08628	1.3
125.13286	1.6
125.20938	1.1
126.83263	1.1
127.14878	2.8
130.08633	2.9
131.07024	3.6
133.08617	46.6
141.16374	2.0
155.17966	1.9
161.11739	2.9
171.16595	1.2
175.09676	2.8
177.11241	19.3
179.36729	1.3
180.95924	1.2
211.24225	3.0
221.13908	3.9
299.29556	5.6
343.32034	3.4
392.63525	1.3
400.27527	1.2
491.89291	1.3
519.29639	1.5
691.39709	2.9
692.40771	11.1
845.61713	2.3
862.49738	2.1
862.64410	3.7
883.82007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	1.4
69.03439	15.7
70.06576	2.0
71.04993	3.1
71.51095	1.1
71.51499	1.6
73.85040	1.0
81.03423	56.3
84.04527	1.2
85.02911	17.0
91.05489	100.0
92.05815	1.6
93.33974	1.0
95.04993	1.4
97.02901	16.2
99.04459	10.2
101.02374	1.1
103.05469	1.8
105.03392	1.1
105.07051	2.8
107.04952	3.5
109.02888	52.0
111.04443	1.6
115.03883	1.1
115.05462	11.7
117.03394	1.5
117.06253	1.1
117.07036	18.3
119.04947	6.3
123.04375	1.4
125.02359	1.8
127.03931	75.2
128.04295	1.0
131.01541	1.1
133.06526	7.9
137.05984	2.0
138.62230	1.1
139.03941	1.6
143.04907	5.6
145.02913	2.0
145.04974	7.2
145.06514	11.9
147.04413	2.7
151.03905	2.3
151.07474	1.1
153.05408	1.1
153.06921	1.3
155.06039	1.9
155.08548	1.6
157.06520	1.1
161.06001	69.5
162.06387	2.0
169.04976	15.5
171.04407	11.4
175.03920	2.0
177.05438	3.1
179.07050	21.8
181.06454	1.7
183.08066	2.1
187.06044	12.2
189.05490	12.4
199.07529	2.1
207.06549	2.6
209.06114	2.2
217.05000	1.6
221.08131	1.5
223.07536	2.1
227.07013	1.4
229.07077	6.9
231.06604	1.4
235.06061	1.6
243.10252	1.3
249.32832	1.1
249.65990	1.3
251.06975	1.3
257.08029	1.3
269.08081	4.2
287.09149	3.8
289.08984	1.5
305.10208	9.0
315.08749	5.9
333.09607	2.5
334.10043	1.2
347.11264	4.8
357.09799	1.3
365.12323	1.5
375.10904	1.7
435.13120	1.9
459.12381	1.1
472.77673	1.2
477.13824	2.1
519.15021	1.5
577.68323	1.1
746.51520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	1.2
68.99814	1.0
69.03134	0.7
69.03436	18.5
69.03814	1.0
69.94856	1.3
69.95278	2.4
71.01351	0.8
71.05014	3.4
79.05476	1.1
81.03425	53.3
83.01344	1.9
85.02915	15.4
91.05489	100.0
92.05815	1.1
95.04954	1.3
97.02902	15.5
99.04459	8.5
103.03959	1.3
103.05473	0.7
105.03378	1.8
105.07001	3.2
107.04981	3.0
109.02889	56.6
111.04432	1.2
115.05457	13.7
117.07023	16.5
119.04961	6.3
121.02886	1.9
123.04481	1.5
125.02369	0.9
127.03927	87.7
128.04333	0.9
129.07021	1.2
131.04907	1.0
133.06502	10.6
133.79240	0.6
137.05988	1.6
139.03920	1.6
141.05461	1.5
143.04922	6.1
145.04982	4.4
145.06496	4.7
147.04399	1.7
150.41136	0.6
151.03986	1.1
152.06227	0.6
153.07011	1.1
155.06073	1.0
155.08604	0.8
157.06544	1.2
159.04474	1.0
161.05998	86.0
162.06366	2.0
163.03941	1.6
165.05547	0.7
167.08638	0.8
169.04984	20.3
169.06354	0.9
171.04411	14.0
171.08131	1.3
175.03946	5.1
178.49277	0.7
179.07051	30.3
181.04964	0.9
181.06514	1.7
183.08101	1.7
187.06021	20.1
189.05492	8.3
193.05006	1.4
195.08076	1.5
197.06096	0.7
199.07613	1.7
203.07088	1.1
207.06537	0.7
209.06001	2.7
211.05991	1.6
217.04932	1.8
223.07561	2.0
225.09167	1.1
227.07034	1.3
229.07050	8.5
235.06087	3.1
241.08650	0.8
245.08124	1.3
247.08214	1.7
249.05304	0.6
249.07773	2.5
251.06958	1.7
253.07123	2.2
269.08041	4.9
287.09094	4.4
289.09280	1.4
295.08099	1.5
297.07541	0.9
305.10269	4.8
315.08688	6.1
323.11414	1.4
333.09802	1.6
347.11221	4.4
357.09857	1.0
365.12463	2.9
375.10800	2.8
393.12158	1.2
435.12814	2.2
442.15759	0.6
459.12833	1.2
477.13937	3.0
501.13843	0.7
519.14917	2.9
701.20850	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58450	0.8
65.03915	0.9
67.05489	0.9
68.99796	1.1
69.03085	1.4
69.03436	18.5
69.86267	0.7
71.01353	1.1
71.04984	2.5
71.51180	1.0
74.38274	0.7
79.05468	1.0
81.03425	56.5
81.07096	1.0
83.01362	1.2
85.02911	17.8
90.40530	0.7
91.05489	100.0
92.05823	1.4
95.01376	0.7
95.04984	1.3
97.02908	17.8
99.04469	11.4
103.03962	1.6
103.05490	1.0
105.03384	2.3
105.07023	2.1
107.04973	3.4
109.02890	55.2
111.04453	1.0
115.05457	12.2
117.07034	14.6
119.04955	8.9
121.02925	1.4
123.04444	1.2
125.02390	1.8
125.28397	0.7
127.03928	93.2
128.04268	0.7
128.06226	0.8
129.07040	2.3
131.04935	1.3
133.06505	11.6
135.04570	0.7
137.05981	4.6
139.03893	1.8
141.05479	1.3
143.04965	6.4
143.08667	0.8
145.04927	3.8
145.06494	7.8
147.04453	2.5
151.03941	1.3
152.15656	0.7
153.07048	1.3
155.08498	0.9
157.06531	0.8
161.05994	94.4
162.06369	1.7
163.03928	2.2
163.07495	0.8
169.04982	21.9
169.06348	1.0
171.04416	14.7
171.05733	1.1
171.08061	1.7
175.03899	4.6
177.05533	0.9
179.07047	35.0
181.05014	1.1
181.06531	2.3
183.08124	1.5
187.06026	19.9
187.07671	1.1
189.05499	11.7
190.06041	1.0
191.07095	0.9
193.04999	1.5
195.08125	1.5
197.05901	0.7
199.07616	2.1
205.04988	0.9
207.06564	1.7
209.06062	3.1
209.07976	0.8
211.05984	0.9
217.05005	2.3
221.08130	1.1
223.07628	1.7
225.09224	0.8
227.07086	1.2
229.07085	10.3
231.06541	1.2
235.06111	3.0
241.08667	1.1
245.08240	1.0
247.08054	0.9
249.07634	2.6
251.07114	1.2
253.07016	1.4
253.41498	0.7
269.08139	6.5
287.09143	6.3
289.09311	2.6
295.08255	2.5
297.07706	1.6
305.10217	6.2
315.08618	6.5
323.11429	1.7
333.09866	1.8
347.11292	5.5
365.12430	3.7
375.10861	2.8
383.13477	0.8
421.12628	0.8
431.13376	0.9
435.13000	1.7
459.12411	1.0
477.13831	0.9
480.97968	0.9
495.14755	0.8
519.14764	3.8
701.20374	1.2
747.21112	0.8
833.70508	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21677	0.9
65.03934	1.8
69.03436	13.7
70.59988	2.6
71.01340	1.1
71.04989	2.8
79.05521	1.1
81.03423	60.0
83.04993	0.9
84.98791	0.9
85.02384	1.2
85.02901	18.2
91.05485	100.0
95.53363	1.0
97.02899	17.1
99.04459	10.1
103.03938	1.4
103.05492	1.6
105.07023	1.7
107.04956	1.6
109.02888	50.0
114.50209	0.9
115.05463	13.2
117.07024	18.1
119.04939	7.2
125.02312	1.5
127.03925	77.1
128.04239	1.6
129.07005	2.4
133.06497	7.7
139.03836	0.9
143.04935	6.2
145.05055	6.3
145.06480	11.3
147.04390	1.0
153.07021	1.4
155.06009	1.9
155.08528	1.4
161.05992	73.0
169.04996	17.0
169.06406	1.9
170.92867	0.9
171.04420	10.2
179.07059	19.8
181.06540	1.6
183.07986	1.2
187.06038	11.4
188.98680	0.9
189.05490	13.0
195.08131	1.8
199.07568	1.9
203.07066	1.3
207.06589	1.6
209.05966	2.5
217.04924	1.7
221.07983	1.4
223.07573	1.7
229.07101	10.4
235.06052	1.3
249.07498	1.8
251.06966	1.1
269.08163	6.2
287.09064	4.8
289.09265	1.8
297.07681	1.7
305.10172	7.5
315.08646	5.3
323.11655	1.1
333.09637	2.9
347.11295	4.2
351.10944	1.0
357.09650	1.3
365.12589	1.2
375.10806	2.7
389.12244	1.0
393.11893	1.6
426.71820	1.1
435.12546	1.5
459.12875	1.8
477.13425	1.5
519.14917	1.7
701.20258	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	8.5
66.67323	4.3
67.05505	100.0
69.03425	22.4
69.07059	21.5
70.01285	24.2
70.06584	14.7
71.01353	8.5
79.05499	74.6
81.03429	44.8
81.07056	88.4
83.04986	11.7
83.08621	9.1
85.02930	18.7
85.06533	6.1
86.09725	9.7
91.05486	79.6
93.07050	81.6
94.07250	5.0
95.01365	24.2
95.04965	34.6
95.08612	54.8
97.02908	26.1
97.06574	8.7
97.10161	6.1
103.05434	10.7
105.04530	5.9
105.07043	49.1
107.04955	25.0
107.08584	33.7
109.02876	12.8
109.06535	13.2
109.10172	42.6
111.08090	5.6
115.05434	7.6
117.07005	32.9
119.08577	41.1
121.06552	10.4
121.10163	31.7
123.04440	16.8
123.08121	5.5
123.11716	10.0
125.05946	5.9
125.09671	6.6
127.03927	18.0
129.07007	30.2
131.04962	11.4
131.08566	37.5
133.06511	10.1
133.10127	29.7
135.04414	20.1
135.08051	10.8
135.11668	13.9
137.05974	6.4
137.09622	10.3
140.82799	4.6
141.01828	6.5
141.07018	14.0
143.08583	16.4
145.06508	10.1
145.10158	24.9
147.04434	22.8
147.08052	12.2
147.11719	15.3
149.06004	8.9
149.09605	8.2
149.13318	7.8
151.03941	16.0
153.07062	7.2
155.08546	11.5
157.06549	10.1
157.10176	23.5
159.11722	17.9
161.05951	8.7
161.09657	7.0
161.13263	11.9
163.03951	10.0
167.08545	8.2
169.04980	8.4
169.10115	10.2
171.08179	6.5
171.11708	13.3
173.13239	7.0
175.03917	8.7
175.11203	12.0
177.05513	9.2
179.08430	5.3
181.10071	8.3
183.11717	6.4
187.07442	6.4
187.11177	10.9
189.05643	4.7
189.11296	5.9
189.12833	7.2
193.04907	7.1
193.12288	9.0
199.11230	5.0
201.40567	5.2
203.10678	8.4
205.12238	13.2
215.10803	6.2
217.12149	7.8
227.12697	6.7
243.10214	6.9
251.12891	6.4
259.20410	7.2
261.11163	8.7
261.15030	6.5
261.22208	9.3
287.12747	16.1
289.14352	23.5
305.13934	8.9
315.12244	17.5
323.14838	11.4
333.13336	29.6
333.24396	6.9
335.25800	53.1
336.26224	7.5
351.14389	28.3
369.15506	12.3
369.24225	9.5
387.25009	5.8
407.17148	12.3
415.07971	5.3
425.18262	11.0
528.13672	6.1
667.38080	12.2
685.39612	24.4
703.40613	13.9
775.40472	6.8
811.42963	5.4
811.64050	7.1
829.42700	7.8
847.43604	16.9
865.44800	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	866.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05640	0.8
61.02926	5.8
63.55771	0.7
64.01431	0.7
67.05509	30.1
69.03428	1.5
69.07070	12.6
71.04994	2.3
71.08633	13.4
73.02925	2.1
79.05499	14.1
81.03422	1.7
81.07059	41.4
83.04986	3.0
83.08625	11.4
85.02909	7.1
85.06547	1.3
85.10188	11.0
91.03947	4.5
91.05488	7.7
93.06480	1.6
93.07053	24.9
93.07642	1.5
94.70255	0.7
94.97866	0.6
95.04961	0.8
95.08612	17.7
95.09177	1.4
97.02897	3.8
97.06539	6.8
97.10181	3.8
99.04491	0.7
99.08123	1.8
103.07556	1.1
105.07048	3.1
107.08598	15.5
109.06508	1.3
109.10165	6.3
111.08076	3.1
111.11745	1.6
117.07022	3.0
118.13916	0.8
119.08606	1.3
121.10153	10.9
121.10961	1.3
123.11729	3.6
127.03949	1.8
131.08560	4.0
133.10136	2.7
135.08072	1.6
135.11691	4.4
145.05008	2.1
149.13268	18.4
159.11664	7.2
163.06049	1.3
177.12781	3.1
183.85654	0.7
195.13841	5.9
213.14980	1.0
239.23820	1.1
269.17490	94.3
270.17841	2.3
313.27386	52.4
314.27704	1.4
315.66138	0.8
507.40475	100.0
508.40695	4.2
602.66461	0.8
823.25269	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05640	1.0
61.02933	7.3
65.03928	1.6
67.05510	28.9
69.03417	1.5
69.06736	0.9
69.07070	12.4
69.26539	2.9
69.26969	3.3
71.04958	2.9
71.08636	15.4
73.02898	2.7
79.05083	1.1
79.05495	13.8
81.03402	1.6
81.07061	42.2
83.04984	3.3
83.08170	1.0
83.08624	13.3
85.02908	8.3
85.06513	2.0
85.10185	8.1
89.06019	1.0
91.03960	4.1
91.05478	7.8
93.07051	29.0
95.04951	1.4
95.08611	19.1
95.42153	0.6
97.02868	3.0
97.06539	5.9
97.10164	3.2
98.20797	1.2
99.04432	0.8
99.08063	2.3
105.07004	3.2
107.08603	13.7
109.06557	0.8
109.10168	6.3
111.08099	3.6
117.07001	3.1
118.24442	0.8
121.06487	1.1
121.10140	9.9
123.11682	2.2
127.03900	1.5
131.08551	4.1
133.10143	3.2
135.08011	0.9
135.11719	4.8
137.13240	1.4
145.04945	2.7
147.11729	0.8
149.12054	1.0
149.13269	18.3
159.11694	7.2
163.06047	2.1
177.12766	3.4
178.93605	0.6
195.13792	7.2
207.48758	0.8
213.14954	1.1
239.23810	1.8
257.24838	1.1
266.79999	0.8
269.17499	96.4
270.17914	2.0
313.27383	45.7
314.27649	0.9
507.40491	100.0
508.40814	5.5
544.57831	0.8
657.56293	0.8
774.02209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	1.7
61.04904	0.9
63.48537	1.1
65.03955	2.4
67.05494	1.3
68.99792	7.2
69.03141	0.9
69.03437	10.8
69.53001	2.2
69.53413	4.7
73.02917	2.2
81.03428	6.1
85.02901	20.1
91.05482	10.8
92.05800	1.0
95.04962	6.1
97.02885	6.0
98.21504	1.9
103.05444	1.1
105.07069	1.1
107.04955	50.7
109.02895	3.7
111.00810	3.4
111.04414	1.3
115.05482	1.4
117.54622	1.0
119.04942	46.7
121.02865	33.0
121.06488	3.0
123.04424	17.7
123.43730	1.0
127.03917	4.0
129.07011	1.6
131.04929	1.8
133.06496	3.9
135.04315	1.1
135.07985	1.0
139.03902	26.1
140.04184	1.1
141.06917	1.3
145.02869	2.9
145.04944	1.9
145.06535	1.9
147.04411	68.0
149.02316	4.5
151.03889	13.4
157.06467	7.4
161.05983	3.0
163.03940	4.1
165.01862	6.6
165.05322	1.1
167.03439	2.6
171.04466	3.4
173.06056	1.0
175.00349	1.0
175.07576	1.6
177.01862	3.1
179.03423	2.0
181.06549	1.3
183.02925	1.5
185.05983	9.1
187.03915	1.1
189.01909	2.5
189.05455	2.9
191.03409	2.4
193.01376	1.2
195.02899	2.5
197.05989	3.5
199.07530	1.5
201.05402	1.8
203.03398	3.4
203.06972	7.8
207.02954	2.5
213.05447	9.0
215.03307	2.3
215.07030	4.5
217.01367	1.8
217.05028	1.3
225.05513	1.6
227.03387	2.0
227.07082	3.2
229.04967	4.0
231.06523	100.0
232.06848	2.2
239.03661	1.2
239.07088	2.1
241.04979	4.5
241.08731	1.4
243.02780	2.9
243.06583	5.7
245.04576	3.1
245.08076	7.3
251.03448	1.5
253.04994	3.5
255.02913	3.1
255.06517	10.3
257.04489	12.6
257.08102	17.9
258.05066	2.4
267.06586	5.5
268.07181	2.4
269.04443	6.9
269.07632	1.7
271.02673	5.2
271.05835	6.0
273.07562	33.6
279.06589	3.4
281.04465	6.1
281.08081	4.7
282.05243	2.0
283.02408	23.3
283.06030	69.4
284.06714	3.6
285.04010	9.0
285.06879	1.6
287.05521	17.5
289.03394	3.3
293.04358	3.3
293.07492	1.3
294.05243	4.2
295.02466	3.7
295.05972	34.5
296.06650	3.0
297.03964	3.0
297.07587	10.1
299.05481	7.2
301.03366	1.9
305.08060	2.1
307.05969	12.0
308.06790	4.1
309.03943	6.8
309.07565	16.1
311.05515	10.7
311.08951	1.5
313.03400	16.2
313.07074	35.7
314.07391	2.2
319.06128	1.4
321.07568	8.1
323.05484	10.3
323.09161	10.6
325.03513	1.4
325.07053	30.3
327.04956	1.5
328.39383	1.0
329.06464	6.2
331.04657	2.2
333.07529	3.9
335.05539	13.8
335.09235	2.5
337.03391	6.8
337.07089	31.7
338.07230	1.2
339.08694	3.0
341.06323	2.5
347.05463	2.1
349.03354	1.7
349.07080	11.4
351.05002	1.7
351.08459	4.7
353.06601	9.0
355.08200	3.4
357.07504	1.3
361.07086	11.7
363.08600	1.9
365.10272	1.3
367.08167	19.9
368.08670	1.2
371.08469	2.4
373.07114	1.4
375.08661	3.2
379.04443	3.1
379.08359	19.6
387.08521	16.6
391.08035	7.0
395.07590	2.2
397.04733	2.2
397.09491	12.5
399.08630	4.3
401.06183	5.3
402.07190	2.0
403.08197	4.0
409.09344	4.3
411.08582	4.6
413.10007	3.4
415.10297	55.6
416.10657	2.1
417.09695	14.4
419.07559	12.3
421.09229	1.7
427.11877	5.7
429.09967	1.8
431.07404	5.0
433.11353	9.2
435.12656	1.5
439.10574	1.5
441.09686	6.4
443.07144	1.3
449.08710	9.0
453.09628	3.6
457.11252	5.3
465.10147	1.7
471.10550	1.6
473.08569	5.0
475.12112	1.3
483.10849	6.1
485.08450	6.7
497.08423	5.7
501.11807	3.9
503.09811	3.4
515.09912	8.0
519.12714	8.9
533.10699	8.8
537.11658	1.6
541.12299	1.2
543.12787	3.7
551.11902	14.3
555.12915	13.2
556.13428	1.2
559.12201	9.6
567.12695	8.3
585.13898	28.0
586.13855	2.2
609.13971	21.2
619.16284	3.9
621.14191	2.0
633.14172	1.2
639.15167	9.2
651.14551	6.8
652.15057	1.5
669.15973	21.2
687.17090	50.6
688.17218	1.7
705.18127	2.3
799.03619	1.2
831.20575	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.0
65.03947	2.2
66.37338	1.1
68.99782	6.5
69.03439	7.1
70.06603	3.1
71.51218	2.8
73.02930	1.8
79.05521	1.6
81.03421	8.8
85.02912	26.7
91.05503	10.1
95.04977	15.6
97.02897	8.0
99.04476	1.5
103.05441	2.2
104.30700	1.3
107.04964	93.0
108.05280	2.1
109.02887	4.6
111.00802	2.0
111.04466	1.3
115.05465	1.7
119.04951	66.3
121.02895	11.1
123.04441	52.7
123.05344	2.6
124.04719	1.2
127.03920	6.8
129.05296	1.2
131.04932	5.1
133.06493	7.8
135.04416	1.7
137.02351	1.6
139.02823	2.0
139.03902	39.5
145.04985	3.5
145.06555	3.2
147.04417	48.6
148.04770	4.0
149.02353	11.2
149.06017	1.7
151.03903	36.3
153.01848	1.9
157.06494	4.9
161.05974	4.8
163.03915	5.5
165.01878	5.8
167.03413	2.8
169.06479	2.9
171.04428	4.0
171.08043	1.7
173.02472	1.4
175.03951	2.8
177.01852	4.8
179.03439	4.9
181.06488	2.2
183.02951	1.8
185.05986	6.3
187.03940	1.6
187.07553	2.0
189.01796	1.7
189.05475	3.0
191.03502	6.8
195.02921	16.8
197.06023	2.1
199.04037	1.8
199.07568	2.5
201.05432	2.4
203.03461	2.1
203.07069	5.5
207.02875	2.1
213.05527	11.2
214.92792	1.6
215.03510	2.0
215.07002	10.3
219.02931	7.2
223.02362	1.6
225.05553	1.6
227.07062	3.4
229.04941	2.4
230.79680	1.3
231.02873	5.7
231.06529	100.0
232.06874	3.6
233.04387	1.3
241.04999	2.5
242.05429	1.4
243.02832	3.2
243.06549	14.6
245.08121	16.1
249.03790	1.5
255.06496	12.5
257.04507	4.7
257.08096	25.3
257.10605	2.5
261.04053	4.6
267.06601	2.0
269.04453	3.7
269.08005	1.6
271.02393	2.5
273.07578	74.4
274.07852	2.3
279.06693	2.3
281.04474	2.3
283.02460	21.3
283.05917	3.2
284.06070	1.6
285.04254	2.8
285.07559	8.3
287.05536	3.7
289.03531	1.7
293.04807	1.7
295.02493	1.6
295.05954	3.5
297.07727	7.8
299.05579	3.3
301.03238	1.5
309.03833	3.0
309.07413	2.3
311.05466	1.5
313.03534	13.5
315.08704	6.6
323.05478	5.9
331.04596	3.7
335.05603	1.6
337.03445	4.6
339.08633	6.8
341.06784	2.4
351.08640	2.5
355.04556	2.7
363.08673	3.0
369.09390	1.6
375.10352	1.6
379.04630	1.5
381.09604	3.7
391.08157	3.6
393.09653	1.9
397.05591	3.7
399.10739	4.1
409.09253	3.5
416.10626	1.6
417.11746	7.0
419.11313	3.8
421.09253	1.4
433.08780	3.0
435.12741	2.0
451.10242	3.0
475.10165	1.3
487.09741	3.1
517.11377	2.9
521.14197	4.1
535.12201	6.6
545.13904	1.8
553.13226	7.2
569.14087	2.1
587.14575	2.0
672.64954	1.5
689.17810	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	869.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.3
65.03923	1.6
67.05516	1.0
68.99792	8.2
69.03439	9.3
71.04990	1.8
71.50780	1.1
72.83590	0.7
73.02914	2.1
79.05499	2.0
81.03408	4.3
85.02908	25.5
91.03982	0.7
91.05486	5.1
95.04973	10.0
97.02899	9.7
99.04440	1.2
105.04491	0.9
105.07029	1.0
107.04960	100.0
108.05300	0.8
109.02880	3.5
111.00827	4.6
111.04482	1.6
115.05449	1.0
119.04945	58.2
120.05219	0.9
121.02887	5.8
121.03681	0.8
121.06569	1.3
123.04433	40.5
125.73609	0.6
127.03913	7.1
131.04953	3.1
133.06511	5.9
135.04440	2.3
137.02328	1.0
139.03906	31.5
145.04996	3.6
145.06514	5.3
147.04413	35.8
148.45587	0.7
149.02342	8.2
149.05971	1.5
151.03908	22.6
153.06975	0.7
157.06490	4.8
159.04430	1.5
159.08055	1.1
161.06007	4.6
163.03947	5.8
165.01866	1.1
165.06963	1.2
167.03453	2.5
169.06522	1.7
171.04419	3.5
171.07973	0.8
173.02335	1.0
173.05998	3.0
175.03960	2.8
179.03377	6.5
181.06517	1.8
183.08075	0.8
185.06020	5.8
187.03929	2.6
187.07608	2.1
189.05461	3.9
191.03368	4.3
193.04958	1.1
195.31114	0.7
197.05997	2.5
199.07564	1.7
201.05502	2.6
203.03404	3.3
203.07059	2.7
205.05040	1.5
210.06783	0.7
213.05489	7.9
215.03487	1.6
215.07068	7.4
215.08914	0.9
216.04179	1.4
217.05086	1.7
225.05571	1.0
227.07086	3.2
229.04955	2.7
231.06529	68.8
232.06879	2.6
233.04390	1.4
237.05415	1.0
239.07076	2.0
241.05011	1.9
242.05774	2.4
243.06528	12.0
244.03651	2.3
244.07361	2.2
245.04474	9.3
245.08092	12.3
253.04945	1.7
255.06544	12.6
257.04327	4.4
257.08081	22.8
257.10623	1.4
261.09232	0.9
267.06497	4.4
269.04471	2.3
269.08127	1.6
271.06070	2.1
273.07574	75.3
274.04724	2.0
274.07889	2.2
275.05554	1.7
279.06516	2.7
281.08246	1.0
283.05969	1.1
285.04367	1.2
285.07535	7.9
287.05460	6.1
297.07559	6.2
299.05582	2.6
299.08853	0.8
303.04880	0.8
307.05991	2.6
315.08636	1.6
319.06082	0.9
321.07324	0.9
331.09604	1.1
333.07492	0.8
339.08865	1.7
345.07394	1.2
349.10876	1.0
351.08649	0.7
355.09668	0.9
363.08569	7.8
373.06790	1.0
375.10873	0.9
377.10281	7.0
381.09518	0.9
391.08075	17.7
393.09723	6.5
401.10254	5.3
403.07330	1.4
403.12277	4.3
405.09741	2.6
409.09216	13.2
417.11835	1.4
419.11295	6.4
421.09244	3.2
433.09296	1.7
435.12872	1.8
509.12311	1.7
511.13815	1.1
527.13098	3.8
529.14514	1.0
539.14728	0.9
545.14282	1.8
553.13446	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01140	0.7
61.02925	1.7
65.03942	1.3
67.04252	0.5
67.05505	20.5
68.05037	1.7
69.03436	0.9
69.07065	4.2
70.02953	1.3
70.06589	1.1
70.11302	1.4
71.04987	1.3
73.01184	0.8
73.02915	1.0
74.00672	1.2
76.02229	3.3
76.04007	1.0
77.03962	0.4
79.05495	14.7
80.05024	4.2
81.03426	0.8
81.07059	18.9
82.06583	3.7
83.04990	0.6
83.08608	2.5
84.04501	1.1
85.01141	1.1
85.02907	1.7
85.04029	1.3
85.06561	0.6
86.00658	11.0
86.01170	0.7
86.99052	0.9
87.02692	0.5
88.02219	3.7
91.03972	1.0
91.05486	11.7
93.05811	0.7
93.07047	15.4
94.06565	3.9
95.04984	2.0
95.07365	0.5
95.08609	12.5
96.04539	0.4
96.08128	1.9
97.01122	15.1
97.02900	1.4
97.04036	1.0
97.06535	1.5
97.10192	0.7
98.00661	0.5
98.01477	0.3
99.02709	1.4
99.05629	0.4
99.08105	0.6
100.02219	1.0
103.05492	0.6
105.04552	0.6
105.07037	7.6
106.06574	1.3
107.04980	1.1
107.07397	0.7
107.08606	7.1
108.08153	1.0
109.06498	0.7
109.10159	4.4
110.09693	0.4
111.02673	2.8
111.08076	0.6
112.02220	1.3
112.03916	0.4
113.04234	0.4
114.03796	1.1
114.05533	1.2
115.05489	0.8
116.01673	4.8
116.02412	0.5
117.07008	3.1
119.08593	4.0
120.08140	1.2
121.10147	5.4
123.02671	5.2
123.08073	0.9
123.11732	1.1
125.04229	1.3
125.09648	0.3
126.03757	0.7
129.07027	1.1
130.05009	1.0
131.02789	1.3
131.08560	4.3
133.10147	4.6
134.09645	0.6
135.02678	1.2
135.08052	0.6
135.11691	3.0
137.04208	4.6
139.05826	0.4
142.07826	0.5
143.02756	3.5
143.08580	0.6
144.01176	1.1
145.06161	0.5
145.10144	1.5
147.02716	0.9
147.11707	2.7
149.04181	2.6
149.13260	3.1
151.05789	2.1
151.11168	0.5
153.03647	0.5
155.08620	0.3
157.10187	1.7
159.11731	2.8
161.04161	0.5
161.13297	0.5
162.02271	1.3
171.02248	0.6
171.11826	0.4
173.13335	1.1
175.05762	0.7
175.11211	0.7
176.14427	0.5
177.03386	0.3
177.12712	2.4
178.16035	0.4
179.04865	2.4
181.10483	0.4
183.11674	1.2
189.03293	5.1
189.07410	0.6
190.15906	0.7
191.08900	1.1
192.13930	0.6
194.15407	3.9
195.13844	0.4
201.12781	0.7
204.13968	0.5
206.15428	4.1
208.11661	0.7
208.16936	0.5
209.09932	2.2
212.16531	0.9
217.10454	3.6
218.15450	2.0
223.11588	1.0
224.14587	0.8
224.16507	5.0
226.12746	0.3
226.39778	0.3
235.11476	3.2
236.16559	0.5
245.61610	0.3
246.14857	0.4
250.12755	0.5
250.18448	0.4
252.14127	20.0
253.14676	0.4
261.22302	0.9
263.11023	0.6
265.17392	0.4
268.19177	0.8
269.17584	1.2
270.15015	1.9
275.17593	1.2
276.16031	0.5
280.13669	7.5
282.15460	0.5
282.20584	0.6
283.13535	0.4
286.20203	1.0
309.16272	0.5
322.14700	0.3
327.17166	1.6
335.25818	16.0
336.26141	0.5
344.19601	2.1
352.83569	0.5
355.16852	7.4
371.16415	0.9
411.19626	2.7
412.18152	0.4
429.20563	4.4
447.21609	5.4
529.38940	6.1
546.41461	1.7
586.39954	0.6
604.40857	3.4
614.39160	0.8
632.39435	0.6
672.38794	0.4
689.41895	8.2
690.41113	0.5
707.43011	100.0
708.43298	6.5
731.42877	0.5
749.44116	0.5
869.47772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.483
Annotation	Unknow
Peak:m/z	Relative Intensity
61.01159	0.6
61.02930	2.0
65.03954	1.9
67.05509	18.1
68.05025	2.2
69.03425	1.2
69.07074	4.4
70.02960	0.9
70.06599	2.1
71.01790	1.1
71.02157	0.5
71.05006	1.3
73.01153	0.8
73.02911	0.6
74.00662	1.3
76.02231	4.0
76.04014	1.3
79.05499	14.7
80.05023	4.9
80.05824	0.5
81.03438	1.0
81.07060	18.9
82.06589	3.8
83.05018	0.7
83.08627	3.5
84.04506	0.9
85.01158	1.5
85.02921	1.6
85.04037	1.9
85.06564	0.8
86.00657	12.6
86.99075	1.3
87.02710	0.7
88.02213	4.8
91.03986	0.5
91.05488	11.8
93.05764	0.6
93.07050	15.3
94.06574	5.2
94.23405	0.5
95.04987	1.3
95.07363	0.6
95.08615	12.4
96.04510	0.6
96.08149	1.9
97.00492	1.0
97.01122	19.4
97.02895	0.8
97.04031	1.5
97.06545	1.4
97.10175	1.1
99.02699	1.1
100.02239	1.2
103.05517	0.8
105.07040	7.7
106.06581	1.7
107.07334	0.5
107.08578	5.5
108.08126	1.7
109.06516	1.2
109.10162	4.1
110.06077	0.8
111.02693	2.9
111.08083	0.7
112.02224	1.2
112.04002	1.0
114.03802	1.0
114.05553	0.9
116.01685	4.7
117.07013	3.7
119.08582	4.5
120.08152	1.0
121.10166	3.7
123.02663	6.4
123.11730	1.4
125.04234	1.5
126.03797	0.8
129.07034	1.9
130.05048	1.1
131.02782	1.1
131.08589	4.9
133.10124	3.9
134.58475	0.6
135.02673	1.7
135.11719	2.9
137.04204	5.4
140.05313	0.5
142.07884	0.7
143.02736	3.4
144.01184	1.0
145.06158	1.2
145.10130	1.6
147.02666	1.6
147.11702	2.3
149.04227	3.0
149.13261	2.8
151.05756	2.4
153.03767	0.6
155.08533	1.0
157.10187	1.4
159.11693	3.1
162.02242	1.1
171.02257	0.7
171.11713	0.5
173.13304	1.6
175.05836	0.9
175.11317	0.6
177.12750	2.6
179.04916	2.2
183.11917	0.6
189.03281	6.9
189.07329	0.5
191.08937	1.4
194.15414	3.3
195.13721	0.6
201.12695	0.5
204.13841	0.5
206.15373	4.5
208.11569	1.1
208.16885	0.9
209.10025	2.2
212.16496	1.6
217.10471	3.8
218.15489	2.2
223.11557	0.7
224.16492	5.2
235.11554	4.5
236.16583	0.5
250.12849	0.6
252.14142	24.3
264.19659	0.7
268.13629	0.8
268.19067	1.2
269.17548	1.1
270.14886	2.8
275.17615	1.0
280.13684	11.1
282.20560	0.6
308.16858	0.9
309.15826	0.5
326.17923	1.1
327.17496	2.1
335.25797	10.6
344.18890	0.6
347.66196	0.5
355.16907	8.4
371.16690	1.5
373.18109	1.3
405.27191	0.6
411.19458	3.2
429.20636	8.2
447.21674	3.6
529.39038	6.8
546.41858	0.8
604.40765	3.9
632.39594	0.6
636.34064	0.5
689.42224	7.1
690.41711	0.9
707.43048	100.0
708.43359	6.9
816.29816	0.6
869.48700	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.4
67.05489	0.7
68.99802	3.6
69.03432	6.9
70.90073	0.9
70.90405	0.9
73.02930	0.9
77.03915	0.8
79.05497	1.3
81.03426	4.0
83.01344	0.7
83.04974	0.6
85.02909	24.5
91.03937	1.3
91.05480	4.1
92.00693	0.5
93.03396	0.6
95.04971	14.1
97.02898	7.9
99.04470	1.3
103.05463	0.8
107.04958	100.0
108.05307	1.3
109.02873	3.2
111.00791	1.3
111.04430	0.9
119.04946	51.3
120.05316	1.0
121.02866	5.2
121.06506	1.3
123.04433	50.6
124.04833	0.6
127.03918	6.1
131.04936	2.5
133.06494	5.4
135.04449	1.8
139.03906	50.1
141.07030	0.7
141.49458	0.5
145.04970	5.0
145.06490	3.3
147.04420	20.1
147.08083	1.1
149.02362	9.6
149.05974	4.7
151.03908	31.7
152.04166	0.8
157.06522	2.4
161.02289	0.6
161.05984	3.6
163.03911	6.4
165.05527	0.8
167.03383	3.0
169.05164	0.5
169.06512	1.3
171.04433	2.3
171.08025	0.8
173.05965	1.5
175.03932	1.9
177.05460	1.0
179.03397	8.0
181.04962	1.7
181.06558	1.5
185.06026	1.7
187.03969	0.8
187.07608	1.2
189.05507	2.3
191.03384	4.3
191.07050	1.2
193.04993	1.6
197.06056	1.3
199.07590	1.9
201.05533	2.0
203.03439	3.1
203.07045	1.0
205.04916	2.9
211.07474	0.6
213.05553	3.0
215.03560	0.6
215.07034	10.7
217.05086	1.2
225.05597	0.9
227.07111	2.1
229.05031	2.1
230.05458	0.6
231.06532	17.2
231.08878	0.9
232.06792	1.3
233.04504	1.9
239.07033	2.4
242.05815	0.6
243.06551	14.7
245.04428	3.4
245.08102	14.5
247.05965	0.9
255.06526	7.7
256.07141	0.6
257.04510	5.6
257.08145	29.6
267.06503	3.5
269.04486	1.5
269.08160	1.7
271.06302	0.8
273.07584	68.3
274.07996	2.6
275.05627	2.9
275.09149	8.6
275.11929	0.8
279.06430	0.9
283.08347	1.1
285.07642	7.9
287.05484	7.2
297.07520	2.6
299.05576	2.6
299.09015	0.9
301.09134	1.3
311.09128	0.6
315.08838	1.0
317.09955	0.9
339.08765	1.5
351.08762	0.8
363.08612	0.7
379.11627	0.8
393.09543	6.8
399.10648	0.8
403.11945	1.6
411.10709	5.1
421.12845	2.5
423.10495	0.8
435.12750	2.0
437.14429	1.0
519.13574	0.6
529.14880	0.8
547.16266	1.2
552.20007	0.7
555.15033	0.9
573.15784	0.6
700.50134	0.5
730.04187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.6
65.03940	1.8
67.01870	0.8
67.05493	1.1
68.99783	5.9
69.03428	5.7
70.95660	1.8
73.02934	1.3
77.03942	1.0
79.05489	1.9
81.03431	5.0
83.01348	1.0
85.02911	21.2
90.11195	0.8
91.03963	0.9
91.05475	4.9
93.03417	1.6
95.04974	12.1
97.02901	8.0
99.04472	1.1
99.95334	0.8
103.05466	1.3
107.04961	100.0
108.05265	1.8
109.02885	2.4
111.00848	3.8
115.05537	1.0
118.15796	0.7
119.04951	67.0
120.05249	1.5
121.02896	6.1
121.06512	1.7
123.04435	45.6
127.03922	5.3
129.07016	0.9
131.04938	3.1
133.06519	6.3
133.07396	1.2
135.04404	2.5
139.03908	61.7
141.07030	1.4
145.04933	4.9
145.06487	6.7
147.03227	1.4
147.04414	37.6
149.02353	10.6
149.05962	8.0
151.03912	41.3
153.07077	1.0
153.32019	0.8
155.03505	0.9
157.06502	4.5
159.08138	0.8
161.05969	5.6
162.60757	0.8
163.03914	10.6
165.05576	1.7
165.07079	0.9
167.03453	7.7
169.06512	1.3
171.04393	5.2
171.08145	1.5
173.06047	1.8
175.03961	2.8
177.05513	1.9
179.03384	12.0
181.04958	2.6
181.06512	2.7
183.08044	1.1
185.05960	3.6
187.03947	1.6
187.07578	2.5
189.05450	7.5
191.03404	13.1
191.07066	1.3
193.04935	3.6
197.06036	1.4
199.07559	3.1
201.05455	4.1
203.03380	6.4
203.07045	1.2
205.05043	3.6
211.07448	1.3
213.05511	6.5
215.03490	1.8
215.07024	11.4
217.05029	1.5
225.05508	1.4
227.06989	4.3
229.04880	3.7
231.06540	42.0
232.06906	0.8
233.04448	6.3
239.07042	4.7
241.04994	0.8
243.06544	20.7
244.06932	1.1
245.04436	4.5
245.08138	12.5
247.06036	0.9
251.05443	1.3
255.06544	14.5
257.04520	11.8
257.08121	30.8
258.05173	1.5
259.06140	1.5
267.06552	15.2
269.04480	3.5
269.08020	2.0
271.05933	1.0
273.07584	87.2
274.08011	1.2
275.05579	11.1
275.09152	16.3
279.06644	1.0
281.07962	0.9
283.08124	1.7
285.07611	19.4
287.05548	16.7
287.09100	2.8
297.07507	2.5
299.05524	3.9
299.08884	1.6
301.09146	2.0
309.07419	1.2
315.08893	0.9
317.10318	1.0
339.08542	1.4
351.08517	1.0
379.11707	1.3
393.09656	15.9
394.09940	1.0
399.10864	1.3
405.09802	1.4
411.10785	15.6
421.12875	2.5
435.12460	2.6
437.14462	1.0
447.12686	1.5
547.16058	2.8
555.15125	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	6.0
61.31134	1.6
67.05511	50.2
69.03417	3.6
69.07076	16.4
69.61266	1.5
71.01369	1.7
71.04998	4.2
71.51742	1.9
71.52148	1.9
73.02909	2.7
77.83963	1.5
79.05499	47.6
81.03436	1.9
81.07058	43.8
83.04992	26.0
83.08614	10.1
85.02891	7.5
85.06544	2.3
89.12867	1.6
91.03961	5.4
91.05492	22.8
93.07049	66.2
95.04971	4.4
95.08608	37.0
97.02898	4.8
97.06535	14.0
97.10167	5.5
102.51366	1.9
105.07037	12.1
107.04958	1.9
107.08598	34.7
109.06535	1.7
109.10165	14.4
111.08087	4.6
117.07008	6.0
119.08594	13.0
121.10146	16.0
123.11740	1.8
125.09616	3.2
127.03905	2.0
131.08572	6.6
133.10130	10.4
135.11705	43.3
145.10159	13.4
147.11713	4.3
149.13278	4.9
153.12730	19.0
159.11679	4.3
161.13223	4.2
163.05963	2.4
163.11218	6.0
173.13246	1.8
175.14859	2.0
181.12282	15.6
187.14876	2.2
189.11246	4.8
194.64673	1.7
227.12784	5.3
243.21223	2.8
255.15927	100.0
260.20718	1.8
261.22061	9.8
289.07306	1.8
289.25250	2.1
317.10025	2.1
317.25040	3.8
335.25809	75.2
336.26157	3.4
405.31625	2.8
423.32428	4.0
441.33551	2.5
459.34534	2.0
515.37402	86.9
516.37659	5.8
533.38373	11.4
649.00940	1.7
874.47705	4.9
875.47742	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	874.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	5.4
61.25726	0.8
65.03925	2.1
67.05508	53.9
69.03416	2.6
69.07075	15.2
71.04980	1.9
73.02901	1.7
79.05496	44.5
81.03406	3.3
81.07059	45.7
83.04987	17.4
83.08627	8.2
85.02898	10.2
85.06528	3.8
91.03983	4.8
91.05482	17.6
93.07050	56.8
95.04993	5.6
95.08609	36.7
97.02907	4.7
97.06538	11.5
97.10154	6.9
99.08084	1.7
105.07039	12.7
107.04929	1.7
107.08603	37.1
109.06499	1.8
109.10162	14.0
111.08067	4.5
117.07018	5.8
119.08595	10.7
121.06499	1.4
121.10148	16.5
123.11707	4.0
125.09608	2.5
127.03902	1.1
130.07753	1.3
131.08556	6.3
133.10147	10.0
135.11696	38.3
137.09691	1.3
139.07483	1.2
145.04877	1.2
145.10114	13.3
147.11676	4.5
149.13254	4.6
153.12764	13.5
159.11751	5.1
161.13210	2.3
163.06003	2.7
163.11203	4.7
163.14832	2.8
165.12740	1.0
171.11601	1.4
172.24774	1.0
173.13231	3.1
175.14886	1.4
181.12248	11.8
187.14908	1.1
189.11172	1.8
199.13220	1.7
227.12764	2.4
228.95958	0.9
239.21591	1.0
240.16666	0.9
243.21080	3.2
255.15919	66.7
259.20660	1.1
261.22119	9.0
291.23181	1.0
317.24628	2.1
335.25812	78.8
336.26117	2.1
423.32578	3.2
441.33658	1.8
459.34439	1.4
497.35806	1.7
515.37384	100.0
516.37946	5.3
533.38391	5.9
656.31189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05534	0.2
68.12186	0.2
69.03435	1.3
70.06596	0.3
71.05006	0.3
71.51356	0.3
77.03932	0.3
79.05488	1.7
81.03420	8.5
81.07063	0.2
85.02915	1.3
85.19463	0.2
91.05483	0.6
95.04975	1.2
97.02892	5.5
99.04454	1.6
103.03932	0.6
105.04507	0.8
105.07020	0.2
105.28664	0.2
107.04957	100.0
108.05262	1.2
109.02880	39.5
109.10098	0.2
110.03175	0.4
113.30356	0.2
115.05495	0.2
119.04980	0.2
121.72882	0.2
127.03919	18.7
138.00285	0.2
139.03912	1.9
145.04999	0.9
145.06509	0.2
147.04422	0.2
161.05988	0.5
169.04968	17.3
179.07130	0.2
187.06027	2.8
187.07538	0.3
205.07076	0.5
211.05992	2.3
215.07028	0.7
228.62830	0.2
229.07065	3.7
231.41737	0.2
233.08014	0.3
236.57492	0.2
247.08098	1.6
271.08118	2.2
289.09186	0.8
310.41107	0.2
331.10233	3.7
469.61087	0.2
537.15948	0.3
617.29187	0.3
635.29950	0.2
698.23010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.0
67.05488	0.6
68.99793	3.6
69.03429	10.0
69.84764	1.8
69.85170	1.0
71.04984	1.1
73.02911	1.1
73.54144	0.6
81.03413	4.6
83.04961	0.8
85.02911	24.7
87.04475	0.7
91.03952	1.2
91.05469	2.3
93.03416	0.6
95.04972	5.3
97.02896	9.3
99.04462	1.8
103.05465	0.7
107.04958	54.7
107.61127	0.5
108.05270	0.9
109.02865	3.4
111.00825	2.3
111.04438	1.0
119.04946	23.4
120.05245	0.5
121.02872	23.1
123.04436	20.0
127.03918	5.3
129.06981	0.6
131.04922	2.0
133.06458	3.2
135.04430	0.9
139.03909	35.6
141.06992	0.9
145.04977	4.6
145.06487	1.7
147.04414	18.6
149.02383	4.1
151.03909	19.7
157.06525	3.3
161.05997	2.2
163.03928	2.1
165.01857	3.3
167.03334	1.0
169.06554	1.0
171.04428	2.5
173.05994	1.8
175.03961	0.8
179.03397	1.0
181.06529	0.7
183.02841	0.8
183.04373	0.6
185.06007	3.6
187.04015	0.8
187.07611	1.1
189.05501	1.8
191.03459	1.5
197.05934	1.4
199.03951	0.8
199.07556	0.9
201.05466	1.7
203.03442	1.6
203.07089	1.9
210.64491	0.5
213.05440	4.6
215.03450	4.5
215.06949	3.4
225.05467	0.9
227.03421	3.7
227.07071	1.9
229.04874	3.5
231.06535	31.8
232.06804	0.8
239.03429	0.5
239.24055	0.5
241.05019	1.4
243.02969	1.0
243.06512	7.3
245.04442	1.8
245.08107	12.1
255.02873	0.5
255.03873	0.8
255.06544	9.5
257.04520	8.4
257.08142	30.7
258.05328	1.4
258.08267	0.6
260.91342	0.5
267.06442	1.0
269.04831	0.6
269.08160	0.7
271.02390	21.8
271.05511	0.7
273.07581	57.8
274.08133	0.7
275.09308	1.3
283.02399	3.0
283.05911	1.4
285.03958	33.4
286.04660	1.9
287.05502	33.8
289.03439	14.9
297.03888	2.1
297.07623	2.2
299.05496	31.0
300.06195	1.4
301.03409	0.6
303.04837	4.8
311.05618	1.8
313.06845	1.0
315.08670	1.1
323.05426	1.4
327.05032	1.6
329.06570	13.0
335.08746	0.7
337.07172	1.8
339.05084	1.6
339.08853	1.0
349.06961	0.7
353.06580	1.1
379.08688	0.7
381.06079	0.7
389.06570	0.9
391.03076	1.1
391.08148	22.5
392.08804	1.0
399.10727	1.0
403.08078	1.6
405.05511	4.3
405.10342	1.6
407.07773	0.7
415.08344	2.1
423.07104	6.9
431.09857	0.8
433.09238	2.2
435.07153	5.3
435.12881	2.2
447.07162	2.2
541.11377	2.0
559.12378	100.0
560.12750	5.7
586.85168	0.6
676.08868	0.6
696.63013	0.6
828.75885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.3
68.99787	3.8
69.03085	0.7
69.03432	9.7
70.64989	1.1
70.65362	0.9
71.04976	1.2
72.01992	0.5
73.02904	1.3
79.05501	0.7
81.03422	4.9
83.01342	0.5
83.04992	0.5
85.02908	25.1
87.04469	0.7
91.03940	1.0
91.05466	2.7
95.04977	4.8
97.02892	9.6
99.04477	1.2
105.07001	0.5
107.04961	52.2
108.05294	0.5
109.02872	4.1
111.00835	2.4
111.04440	1.1
119.04950	22.4
121.02873	26.5
121.03875	1.0
123.04440	20.0
127.03939	5.9
131.04939	1.6
133.06493	1.9
135.04324	0.6
137.02365	0.8
139.03906	34.8
145.04982	4.7
145.06488	1.6
147.04420	16.9
148.03346	0.6
149.02345	3.8
149.05974	0.7
151.03909	15.8
151.77313	0.5
153.01859	0.7
157.06494	3.7
161.06007	1.5
163.03914	1.8
165.01830	3.1
167.03442	1.0
169.06406	0.6
171.04466	1.7
173.05981	1.2
173.89235	0.5
175.07683	0.7
177.01758	0.5
179.03435	1.5
181.04936	0.6
181.06450	1.2
183.02872	1.1
183.04381	0.5
185.05992	3.9
187.03976	0.8
187.07663	1.2
189.05510	1.4
191.03378	0.8
197.06009	1.6
199.07564	1.7
201.05505	1.7
203.03461	1.4
203.07059	2.4
205.04996	0.6
211.03801	0.6
213.05476	4.5
215.03397	4.5
215.06989	3.6
227.03375	3.4
227.06937	1.1
229.01472	0.8
229.05003	3.8
231.06534	31.3
232.06972	0.8
241.04999	0.7
243.02898	0.9
243.06517	5.3
245.04523	2.2
245.08112	11.2
253.05043	0.5
255.06534	9.8
257.04535	8.1
257.08145	31.1
258.05112	0.7
258.08136	0.5
265.04865	0.7
267.06616	0.7
269.04544	1.0
269.08194	0.7
271.02396	24.7
271.05487	0.8
272.02734	0.8
273.07578	51.6
274.07910	1.9
281.04398	0.6
283.02429	3.2
283.05634	1.0
285.03967	34.7
286.04575	2.2
287.05515	31.7
288.05774	0.6
289.03427	15.5
289.08450	0.6
297.04034	2.9
297.07605	2.2
299.05521	32.0
300.06201	2.9
301.03522	0.6
303.04993	3.6
311.05573	1.7
313.03653	0.8
313.07260	1.4
315.08646	1.2
323.05533	1.1
325.07227	0.6
327.04916	1.0
329.06561	14.5
335.08936	0.7
337.07257	0.8
339.04987	1.2
339.08719	1.0
349.07120	1.1
351.08746	0.8
363.08743	1.1
375.10886	0.6
379.08173	0.8
381.05905	1.1
389.06561	0.9
391.08133	21.5
392.08371	0.7
399.10654	0.7
403.08234	1.7
405.05423	3.2
405.10025	1.6
407.07901	0.6
415.08115	2.0
417.11377	0.7
423.07224	5.5
433.09579	1.4
435.07172	6.6
435.13049	2.4
447.07074	1.4
541.11511	2.2
559.12390	100.0
560.12756	5.1
567.10980	0.8
834.87671	0.5
862.43347	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	3.2
69.93030	1.6
78.23625	2.1
78.78327	1.9
82.99865	2.5
85.02908	4.2
97.02809	2.5
101.00878	12.8
105.26639	1.6
113.00874	3.5
117.66895	1.9
119.01937	23.3
127.02412	4.1
127.03951	3.1
131.01918	7.8
139.82365	1.7
143.01913	17.3
145.03465	18.1
155.01906	16.1
157.03465	5.9
161.02962	18.2
167.01874	6.2
169.03445	3.2
171.05006	7.2
173.02980	19.1
179.01869	6.5
185.02979	31.6
187.04535	3.8
189.02338	2.3
197.02934	15.5
199.00899	6.8
203.03979	8.3
213.02502	1.8
215.04016	8.1
217.01984	16.1
227.03986	7.5
239.04100	2.0
245.05106	100.0
246.05321	2.4
257.05078	6.0
259.03073	4.2
263.06174	11.4
275.06152	9.8
277.03989	4.6
301.04044	4.4
305.07132	10.3
319.04977	6.7
335.08289	4.5
339.68735	2.0
361.06168	3.1
365.09341	30.7
379.07275	13.1
425.11389	30.1
437.11551	2.8
455.12521	5.2
481.10574	2.0
485.13812	3.1
541.12506	36.0
542.11963	1.8
791.12384	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	30.4
68.05036	2.9
69.07053	5.1
71.51623	4.2
74.00655	5.7
79.05495	19.4
81.03420	2.9
81.05774	5.8
81.07063	27.1
83.08605	9.3
88.02193	2.9
91.05482	10.0
91.69876	2.7
93.07027	17.0
94.06512	3.1
95.08583	10.5
97.01142	4.8
97.10173	18.7
98.00645	10.0
105.07020	4.8
107.08588	9.5
109.10143	7.6
112.02192	11.4
114.03002	5.4
114.03769	100.0
116.01674	8.0
117.07020	3.9
119.08566	4.9
121.10149	6.8
125.09634	13.8
126.03699	4.8
131.08627	3.4
135.08090	4.1
135.11703	5.6
140.01691	2.8
169.04366	3.9
171.05885	12.1
184.07442	2.7
189.11224	7.7
217.06415	3.3
221.91493	2.6
223.07777	3.9
227.12807	4.0
238.12601	16.5
248.11066	6.4
266.12106	76.0
284.13068	12.8
294.11624	31.7
323.14288	7.4
324.44531	2.6
335.25851	39.3
340.15826	6.7
341.15375	27.0
358.16846	6.3
369.14902	5.1
386.16043	5.1
425.17365	12.3
443.18472	21.1
458.52737	2.8
461.19559	9.2
505.06531	2.8
600.36786	3.8
618.38055	8.6
620.80127	2.8
646.37451	7.6
685.38782	3.4
703.39886	33.1
721.41022	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	885.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	63.4
69.03420	10.6
69.07079	10.9
71.04991	22.8
71.51929	6.9
78.23646	5.2
79.05504	42.3
81.03406	18.9
81.07065	100.0
81.26693	4.9
83.04981	12.7
83.08620	5.8
85.02882	5.5
85.06540	7.0
91.05495	23.0
93.07037	54.5
95.08617	30.3
97.02872	13.0
97.06519	6.6
105.07036	19.3
107.01566	5.0
107.08597	22.7
109.10154	14.3
117.07027	5.4
119.08569	10.4
121.10140	14.3
121.13225	5.3
123.11662	7.5
131.08586	15.0
133.10121	18.4
135.11742	11.7
138.78717	4.8
138.84433	4.7
147.11673	6.4
149.13228	8.2
151.11195	6.2
153.22427	5.8
159.11824	6.7
173.04532	6.3
187.13380	11.0
220.68712	5.9
293.09555	5.9
335.25742	30.6
503.37244	45.5
529.38849	23.1
561.41559	61.0
705.45947	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	887.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
64.07158	0.3
65.95439	0.3
67.05490	0.4
69.03430	2.4
69.62183	0.3
70.06592	0.5
70.79539	0.9
71.04999	12.4
73.02917	0.9
75.04484	0.6
83.04489	0.5
83.04978	6.2
85.02909	17.0
95.04957	1.0
97.02875	1.1
99.04446	1.1
105.03435	0.4
107.04959	0.4
109.02847	0.7
111.00791	0.3
111.04452	5.3
113.06004	0.6
117.05490	0.6
121.02883	1.7
127.03925	1.3
129.05481	5.1
137.02304	0.5
145.04938	0.5
147.04457	0.6
147.06526	1.6
153.01825	2.3
153.05470	1.2
157.04962	0.6
163.06017	0.7
165.01869	1.5
171.04381	0.3
171.06554	0.7
183.02913	0.7
213.05540	0.8
213.07581	0.5
231.06596	0.5
239.09160	2.4
241.04988	0.4
257.10153	1.2
258.05246	0.6
259.06171	0.4
275.11227	1.2
287.05511	100.0
288.05893	2.7
293.12360	0.8
299.05484	0.5
302.04324	0.4
317.06586	2.2
329.06567	1.9
353.06671	0.5
389.77548	0.3
397.09650	0.7
415.10449	0.4
433.11536	1.6
433.70444	0.3
449.11108	1.6
579.13910	0.4
624.28571	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32345	0.2
67.05478	0.3
69.03432	2.2
69.89773	0.5
69.90191	0.4
71.01347	0.5
71.04998	11.0
73.02918	1.3
75.04482	0.6
79.05481	0.2
81.03413	0.6
83.04983	5.2
85.02911	15.6
87.04469	0.5
95.04958	0.9
96.37186	0.2
97.02911	0.9
97.06527	0.3
98.20863	0.2
99.04459	0.8
102.23558	0.2
104.89538	0.2
105.03392	0.3
107.04961	0.3
109.02887	0.7
111.00819	0.4
111.04447	4.1
113.06026	0.6
117.05494	0.7
121.02888	1.6
121.06498	0.2
123.04437	0.3
127.03938	1.2
129.05490	4.7
133.02872	0.2
135.04343	0.2
137.02333	0.5
145.04974	0.7
147.04445	0.3
147.06537	2.0
151.07501	0.2
153.01846	2.2
153.05469	1.3
157.04956	0.3
159.06567	0.2
163.06071	1.1
165.01884	1.0
171.04434	0.2
171.06517	0.6
176.69847	0.2
183.02896	0.6
183.06514	0.2
201.07588	0.4
213.05495	0.6
213.07448	0.2
231.06442	0.5
231.08638	0.2
239.09140	2.2
241.04892	0.6
257.10248	0.8
258.05267	0.7
259.06036	0.3
268.01279	0.2
271.91174	0.2
275.11319	0.8
283.06125	0.3
286.04761	0.2
287.05515	100.0
288.05838	2.3
293.12338	0.6
299.05496	1.0
311.05228	0.3
325.07047	0.2
329.06561	2.2
353.06451	0.5
379.08047	0.3
397.09207	1.1
415.10211	0.6
431.10028	0.2
433.11398	2.1
449.10712	1.8
579.17084	0.5
781.48907	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58528	0.6
65.03921	1.7
67.05508	54.2
69.03410	1.4
69.07073	16.5
71.01343	1.3
71.01707	0.8
71.04990	2.9
73.02897	2.5
79.05497	35.6
81.03390	1.8
81.07059	64.4
83.04984	3.8
83.08613	8.5
85.02906	7.4
85.06519	2.6
91.03972	4.0
91.05486	18.9
93.07048	51.8
93.24612	0.6
94.07346	1.0
95.04965	3.9
95.08611	30.4
97.02900	4.6
97.06525	8.5
97.10159	2.6
99.04428	1.1
99.08102	2.9
101.05959	0.6
105.07030	10.9
107.08597	26.6
109.06483	2.4
109.09473	0.9
109.10159	10.3
111.08058	3.9
113.09641	1.3
117.07021	6.5
118.10909	0.6
119.08592	7.3
121.06512	0.7
121.10146	19.1
123.08023	0.8
123.11687	3.6
127.03918	1.1
129.06946	0.8
131.08571	9.1
133.10135	8.1
133.92165	0.6
135.07993	0.9
135.11693	9.9
136.12015	0.6
137.09602	0.6
139.11159	1.2
143.08514	1.0
145.04930	1.7
145.10135	3.4
147.11734	4.0
149.13268	23.5
151.11183	1.0
157.10161	0.8
159.10478	0.9
159.11705	10.2
161.13283	2.8
163.05977	1.9
163.14790	1.6
165.12729	0.7
173.13200	2.1
175.14886	0.7
177.12755	4.6
187.14845	2.2
195.13794	9.0
213.14723	1.0
243.21066	2.4
261.22153	7.8
267.15933	1.9
269.17493	92.7
270.17801	2.1
273.89426	0.7
317.24771	1.7
335.25806	49.5
336.26233	1.9
352.68094	0.6
390.15112	0.6
437.34280	2.2
455.35175	1.2
511.38101	1.1
529.38916	100.0
530.39209	5.3
547.40167	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	890.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	4.4
68.99778	4.4
69.03433	32.9
69.07055	1.7
70.06590	6.7
71.01369	1.4
71.04658	1.6
71.04999	19.8
71.50706	1.1
72.08167	1.6
73.02924	5.3
74.06075	1.4
75.04457	1.5
79.05497	11.7
81.02943	1.4
81.03423	37.3
81.07059	100.0
82.07395	1.9
83.04563	1.4
83.04989	15.5
84.08137	3.9
85.02907	62.3
86.03245	1.0
86.09708	2.6
87.00833	10.6
87.04461	1.7
91.05475	3.1
93.07050	2.5
95.04980	5.8
95.08613	15.2
97.02895	27.8
99.03963	1.2
99.04478	15.0
103.03932	2.1
105.01883	10.2
105.07021	1.6
107.04943	3.9
107.08598	1.2
109.02884	64.0
109.10149	1.3
111.04449	31.3
112.63179	1.0
113.06020	1.3
115.03953	2.2
119.04930	1.2
120.08138	1.6
121.06590	1.3
123.04432	3.9
125.02346	4.4
125.05989	1.3
127.03925	84.6
129.01839	6.2
129.05489	7.7
129.10197	3.5
131.04903	1.4
135.04405	1.5
137.05995	8.1
137.13268	21.4
139.03882	2.8
141.01805	7.3
145.04970	15.0
147.02869	4.0
147.04373	3.3
147.06480	2.2
149.05969	3.0
151.03912	6.2
153.05423	2.2
157.04967	1.4
159.02870	4.7
160.05093	1.2
161.05975	1.9
163.03922	2.0
165.05476	3.8
167.07063	1.2
169.04953	2.7
171.02867	2.2
175.03914	1.9
177.05484	2.0
177.08304	1.0
181.05026	2.5
183.19864	1.0
189.05484	2.0
191.07042	2.9
193.04999	3.2
195.02982	1.8
195.06535	1.1
195.13083	1.3
207.06541	1.4
209.15521	1.1
209.22878	1.2
213.03952	11.7
217.05014	2.0
219.06532	1.5
219.66084	1.2
231.04997	14.1
235.05994	3.6
237.07536	6.7
249.06015	5.5
253.06985	2.9
255.04930	1.4
255.08688	5.6
259.04340	2.1
273.05960	6.1
282.77115	1.0
285.06125	1.5
291.07059	3.1
303.07056	2.4
315.07242	2.4
315.10626	2.0
321.06085	2.8
333.08170	2.8
339.07034	12.2
341.08664	7.1
357.08197	31.0
358.08566	1.2
359.09604	3.7
375.04758	2.0
375.09253	31.7
393.10263	8.0
401.10559	3.7
419.11850	2.6
444.63422	1.2
449.10547	3.5
465.19348	1.1
467.11801	5.7
485.12881	15.3
503.13974	19.8
521.15106	16.9
539.15649	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03969	2.3
67.05508	61.8
69.07073	20.4
69.52792	10.2
71.04991	4.0
73.02912	3.3
79.05499	20.7
81.03407	1.8
81.07060	63.9
83.08622	13.8
85.02910	10.6
85.06538	6.3
91.03955	8.8
91.05485	14.3
92.83034	1.4
93.07053	27.8
95.05000	1.9
95.08612	100.0
96.08958	1.6
97.02899	7.3
97.06536	7.2
97.10164	3.5
98.20795	1.4
99.08080	2.5
105.07027	10.5
107.08603	14.7
109.10154	22.9
117.07001	1.7
119.08592	9.5
121.10162	11.8
123.08056	2.3
123.11684	3.6
127.03907	3.3
131.08578	5.7
133.10133	11.8
135.11713	11.3
137.09624	1.8
137.13254	3.5
145.04970	4.2
145.10139	3.5
147.11732	2.0
149.13278	5.5
159.11731	3.3
161.13292	13.8
163.05980	2.8
173.13211	1.5
179.14346	6.7
197.15382	2.1
215.16415	1.3
243.21225	3.0
261.22141	11.5
269.17557	3.5
271.19058	81.3
272.19415	1.7
317.24832	3.2
335.25803	70.8
336.26190	2.4
340.53101	1.7
523.95325	1.7
531.40466	93.7
532.40582	4.9
549.41138	5.1
692.25873	1.8
850.82904	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	3.6
69.03433	3.9
69.07082	1.0
70.17107	1.4
71.01357	0.5
71.05009	0.7
73.02921	4.8
79.05502	2.3
81.03423	1.7
81.07059	4.3
83.08623	0.5
85.02905	6.6
85.03379	0.5
85.06527	0.3
86.23941	0.2
87.04480	0.6
91.03963	3.8
91.05485	1.7
93.07054	3.0
95.04987	0.5
95.08601	2.1
97.02895	6.8
97.06524	0.3
98.72904	0.3
99.04463	1.2
101.02362	2.1
105.04505	0.3
105.07053	0.6
107.08609	2.1
109.02908	1.2
109.10179	0.8
115.03938	0.7
117.07037	0.5
119.08605	0.7
121.10162	1.1
127.03924	1.9
131.08553	0.5
133.10158	0.6
135.11737	0.8
145.10062	0.3
147.11743	0.5
149.13301	0.7
159.11794	0.5
177.12762	0.3
185.04231	0.6
203.05345	0.4
235.13156	1.0
243.08359	2.3
335.25922	0.6
347.09491	2.6
363.09113	0.5
365.10699	1.1
376.70468	0.3
405.13727	5.8
405.18573	0.4
453.21008	4.7
519.29352	5.3
615.26215	3.6
681.22772	0.3
681.34430	6.9
731.43622	1.6
893.48657	100.0
894.48853	7.6
925.31244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.298
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.2
64.83420	0.2
65.03947	0.6
67.00909	0.2
68.99792	0.4
69.03440	2.1
70.68344	0.2
70.68677	0.4
71.04995	0.7
76.59918	0.2
79.05495	0.3
81.03425	12.9
83.01335	0.5
85.02911	2.4
91.05489	62.6
92.05830	0.8
95.04981	0.2
97.02903	6.9
99.04453	2.2
103.03936	0.3
103.05476	0.6
105.03409	1.3
105.07047	2.3
107.04966	1.8
109.02890	23.0
110.03208	0.2
115.04694	0.4
115.05464	5.6
117.06215	0.4
117.07020	4.3
119.04963	1.6
127.03930	34.2
128.04248	0.3
129.07021	0.3
133.06506	10.9
137.06009	0.3
139.03889	0.5
143.04955	2.6
143.08533	0.3
145.05000	0.6
145.06471	1.5
147.04434	0.4
153.06943	0.5
155.08543	0.3
157.06461	0.4
159.04396	0.4
161.05992	100.0
162.06345	1.7
162.07565	0.4
165.07101	0.2
167.08621	0.3
169.04984	9.1
171.04427	7.3
171.08084	0.2
179.07051	17.1
180.07318	0.3
181.06505	0.5
183.08076	0.3
187.06027	1.4
189.05496	4.1
195.08090	0.3
197.06027	0.3
199.07527	0.6
202.08501	0.2
203.07076	0.2
205.04994	0.4
207.06529	0.8
209.06039	0.4
211.06006	0.7
221.08162	0.4
223.07471	0.6
227.06992	0.2
229.07100	4.4
231.06522	0.6
239.06909	0.4
241.08881	0.3
241.13332	0.2
243.10207	0.2
249.07611	10.4
251.07175	0.3
265.01315	0.2
269.08060	1.4
287.09171	5.8
288.09283	0.3
289.09216	1.5
295.08188	0.3
297.07581	0.3
305.10092	0.8
308.00598	0.2
315.08636	10.4
316.08676	0.3
333.09778	0.8
347.11368	1.1
357.09549	0.3
365.12189	0.5
375.10800	2.2
401.24103	0.2
407.13019	0.3
435.12769	0.7
477.13748	0.5
495.15121	2.6
701.21082	1.0
761.54865	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.8
67.05507	36.4
69.03419	1.9
69.03786	0.5
69.07069	7.5
69.28028	0.7
70.69623	1.9
71.04993	16.5
71.08234	1.2
71.08633	19.6
73.02905	2.6
79.05498	9.9
81.03418	1.0
81.07059	64.7
83.04980	2.4
83.08623	11.7
85.01168	0.6
85.02911	9.9
85.06545	6.4
85.10185	11.1
91.03960	5.3
91.05488	12.2
93.07063	7.8
93.69129	0.6
95.04976	0.6
95.08610	17.8
97.02901	5.2
97.06533	2.4
97.10157	4.5
99.08073	1.6
105.07041	4.7
107.08597	5.7
109.06560	1.0
109.10162	11.5
111.08079	0.9
111.11706	1.0
117.07027	1.4
121.10133	1.9
123.11714	14.2
125.13272	0.6
127.03920	2.2
131.08598	0.9
133.10132	12.9
135.11700	1.5
137.13173	0.7
145.04935	2.8
149.13286	2.6
151.11183	6.1
159.11763	3.8
163.06007	2.5
169.12180	1.1
177.12764	1.2
183.13828	2.4
187.13353	4.2
195.13794	1.3
201.14809	0.8
213.39848	0.8
239.23723	2.3
257.24866	0.9
269.17499	4.3
301.20117	14.3
313.27386	16.8
481.38904	66.9
482.39218	2.4
495.40515	2.6
507.40430	6.3
531.11401	0.7
539.43091	100.0
540.43427	3.3
552.78308	0.6
683.47217	0.8
780.06342	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.4
66.04736	0.8
67.05503	0.9
69.03432	4.4
69.56572	3.0
70.06603	2.9
71.04993	1.3
73.02918	0.8
79.05491	1.7
81.03425	6.2
81.07058	1.5
83.21430	0.6
84.08140	2.2
85.02909	9.5
86.09714	1.2
87.00838	3.8
91.05483	7.4
94.04193	4.9
95.04964	1.5
95.08594	1.3
97.02914	2.9
99.04461	1.9
103.05473	4.6
105.01858	1.0
105.07053	3.1
105.44897	0.5
105.76133	0.6
107.04967	2.9
109.02891	4.3
109.06532	1.3
111.04449	0.6
115.03971	0.6
115.05453	1.8
117.06999	1.2
119.04942	3.4
119.08598	0.9
120.08104	1.0
121.06547	0.7
122.03668	9.2
123.04431	0.6
127.03931	5.7
128.06230	1.1
129.01801	0.6
129.07005	1.3
129.10295	0.5
130.04132	0.5
131.04930	8.8
132.05698	0.8
133.06477	2.0
136.07674	0.5
137.05988	100.0
138.06342	1.7
141.06987	1.9
143.04968	0.9
143.08575	0.7
144.05716	1.6
145.04991	1.6
145.06490	1.8
146.03616	1.5
147.04395	1.6
149.05998	4.2
151.03934	4.1
151.07565	10.3
152.06244	0.8
153.06990	2.0
155.08472	1.1
157.06464	1.4
159.02943	0.9
159.08083	1.3
161.06003	11.5
162.06729	1.0
163.07550	6.3
165.05615	0.9
165.07027	3.4
167.07056	1.2
167.08524	1.2
169.06482	0.8
171.08038	1.5
172.05203	0.9
173.34698	0.5
174.06783	1.2
175.07599	4.6
177.05464	2.3
179.07060	0.9
179.10619	0.6
181.06482	3.7
182.07233	0.8
183.08121	1.3
185.09567	0.7
186.06866	0.7
187.06061	0.7
187.07562	5.3
189.09113	1.9
191.07043	0.7
191.08641	0.9
193.06572	1.4
194.07298	1.9
195.08064	2.4
196.05238	0.8
197.06068	0.8
197.09555	1.1
198.06784	0.6
199.07613	2.8
201.09125	3.6
202.07704	1.2
203.06990	1.3
203.08614	1.5
203.10635	0.7
205.06618	0.7
207.08133	0.9
207.10057	0.8
208.08910	0.5
209.06133	1.0
209.09709	0.8
210.06827	1.4
211.07581	2.2
212.08208	0.6
213.09132	4.2
215.06932	0.9
215.08818	0.9
215.10719	1.2
216.09297	0.7
217.08551	1.3
217.10385	0.8
219.08089	1.4
220.08899	1.0
221.05994	2.0
222.06793	1.6
223.07524	1.3
224.08353	1.0
225.09106	4.5
227.06931	0.8
227.10716	1.3
228.09366	1.0
229.10165	2.0
231.05124	1.0
231.08054	2.4
232.08871	0.8
233.06015	0.7
233.11751	0.8
234.06830	0.9
235.07709	1.2
237.09088	1.6
239.06935	1.1
241.10249	0.8
242.07430	0.6
243.08060	1.4
243.10254	0.7
244.08885	0.7
245.09688	1.9
246.06818	0.9
246.10516	0.8
247.07594	1.5
248.08426	1.1
249.09081	1.3
250.06239	0.6
251.07042	2.1
251.10735	0.9
253.08565	5.9
255.08098	1.3
255.10411	0.9
256.08722	0.6
257.09821	2.9
258.10342	0.7
259.07492	1.9
259.09708	1.1
260.08328	1.7
261.09073	2.3
262.06180	0.8
262.09805	1.2
263.07028	1.4
263.10797	1.3
264.07776	1.2
265.08633	2.7
266.09225	0.7
267.10233	1.4
269.09689	2.1
271.07504	1.5
272.08173	1.0
273.09146	1.4
274.07019	0.7
274.09961	2.0
275.10715	2.3
276.07965	0.8
277.08661	4.1
277.12247	1.9
279.10278	1.9
279.13828	0.5
281.08005	0.7
282.08997	0.9
283.07068	0.7
283.09787	4.5
284.08322	1.0
285.08981	1.7
285.11563	5.0
286.09677	1.2
287.07355	0.6
287.10635	1.5
288.07788	1.7
288.11130	1.3
289.08597	2.2
289.12329	1.5
290.09384	1.2
291.10226	5.1
291.13693	1.0
292.07440	0.9
292.10950	0.7
293.08032	1.0
293.11606	0.7
294.08820	1.1
295.09760	1.8
295.13257	0.9
297.11362	7.5
298.09616	0.8
300.07690	0.7
301.08569	2.3
301.11832	1.2
302.09421	2.0
303.10181	5.2
304.10992	1.3
305.08197	1.4
305.11697	2.3
306.08670	0.6
307.09735	2.9
307.12799	0.6
308.10571	1.3
309.11282	2.3
311.12943	2.2
313.08508	1.4
314.09299	1.7
315.10175	3.0
316.10770	0.7
317.11758	5.5
318.08994	0.7
318.12430	1.3
319.09711	1.7
319.13318	1.4
320.10489	1.0
321.11377	3.9
323.12891	6.7
327.10281	1.6
328.10864	0.9
329.11832	2.2
331.09683	1.5
331.13422	1.4
332.10483	0.9
333.11218	2.3
334.12216	1.0
335.12885	4.6
336.13727	0.8
337.14359	4.9
339.15875	0.9
341.11664	0.6
343.09705	0.8
345.11221	1.2
346.12094	1.3
347.12915	4.0
348.13507	0.9
349.14423	11.3
351.16052	3.9
353.14020	1.3
355.12997	0.8
359.12778	1.3
361.10370	0.9
361.14441	7.2
363.15936	2.2
365.14023	1.3
367.15445	7.3
368.10425	0.6
371.12805	1.2
373.14511	0.6
377.13864	1.1
379.15433	19.8
381.11572	0.7
391.15598	1.3
393.11469	0.8
407.14694	0.7
411.12546	0.8
419.14450	1.6
423.11862	0.7
425.14163	0.7
427.15430	0.7
439.16037	0.9
443.14655	1.7
448.12909	0.7
449.13776	0.7
450.14890	0.6
451.15625	1.3
455.14890	1.0
457.16479	0.7
463.15164	1.4
467.14676	1.3
469.16559	1.0
477.17081	0.8
481.16721	1.2
483.18149	2.5
485.19617	0.7
493.16290	0.8
495.17847	2.0
497.19644	2.0
501.19260	3.2
509.19601	2.8
513.19128	4.4
515.20483	1.9
527.21136	3.3
545.16687	0.8
561.18109	0.8
563.17010	1.9
578.19611	2.9
579.19421	1.3
581.22327	0.8
591.19635	1.6
601.21368	0.8
605.21826	1.5
617.21661	0.9
619.23114	1.7
621.24652	1.6
631.23407	1.6
633.24933	12.1
643.22760	0.7
645.24286	1.4
651.26190	6.5
657.24707	0.8
661.24481	0.7
663.25616	1.0
675.25885	1.4
699.24524	0.8
723.25079	0.8
741.26483	0.9
837.32043	0.6
863.28198	1.0
881.29907	1.3
899.30865	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.371
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.2
67.05525	4.6
69.03412	7.9
70.06585	12.5
70.83711	7.1
72.08136	6.6
79.05498	6.5
80.05003	3.6
80.84386	2.3
81.03416	13.6
81.07066	3.2
82.06566	4.4
83.04992	2.3
83.17403	2.2
84.08138	5.6
85.02917	11.1
86.06055	2.6
86.09689	7.1
91.05486	12.9
93.05800	2.6
93.07035	10.7
94.06573	18.0
95.04987	4.3
95.07349	10.9
96.08142	21.0
97.02908	6.0
97.06497	3.0
103.05446	5.4
106.06556	9.1
107.04964	10.0
108.04484	4.4
108.08125	57.0
109.02883	12.0
110.03652	4.3
110.07178	4.3
110.09685	41.4
116.04967	4.6
118.06580	2.9
119.04935	3.2
120.04467	7.0
120.08121	39.2
122.03719	5.4
122.06024	17.2
122.09627	5.4
123.04474	4.3
124.07605	19.0
127.03924	10.8
129.10242	4.7
131.04918	4.0
131.07314	3.6
132.08092	5.2
134.06009	9.2
134.09654	3.5
136.07584	53.4
137.05994	41.9
138.09151	57.2
144.04492	11.1
145.04866	2.4
146.05995	13.6
146.09547	3.0
148.07579	39.2
150.05446	3.1
150.09155	15.2
151.03882	4.6
151.07538	5.3
152.07076	37.5
158.09593	2.7
160.03917	4.9
160.05205	3.3
160.07593	8.3
161.05960	7.4
162.05548	7.1
162.09094	4.1
163.07521	3.8
164.07045	13.9
165.32756	2.3
166.08650	61.1
166.09975	5.1
167.30621	2.2
172.03931	41.4
174.05537	9.4
174.09161	6.1
175.07587	3.8
176.07074	3.2
177.05380	3.7
179.06989	3.7
190.05020	34.3
192.06509	4.4
192.10182	2.7
194.08205	3.2
197.10764	4.9
198.09702	2.5
198.11490	11.0
199.12383	3.4
202.08661	5.6
204.06566	39.7
208.09790	9.8
209.10825	4.3
211.12347	20.6
213.10245	3.4
215.08527	2.6
220.09818	3.0
221.10606	3.4
222.11517	4.0
223.12349	9.5
224.09418	4.7
224.13005	4.7
225.10316	20.6
225.13930	3.7
226.11055	9.8
227.11812	15.9
229.13446	4.0
235.08675	4.2
235.12256	4.3
236.09360	4.3
237.10205	27.5
237.13914	5.1
238.11024	15.1
239.11786	53.3
240.12595	9.8
241.09712	2.6
241.13321	4.3
242.07957	3.3
246.11266	2.8
247.07784	2.5
248.09575	4.5
249.10342	14.1
249.13910	2.3
250.10983	13.7
251.11824	71.2
251.14455	3.7
252.08917	7.3
252.12680	14.9
253.09657	4.3
253.13396	17.8
255.11267	11.8
257.12750	2.7
259.07602	2.5
259.14426	2.6
261.10315	4.3
262.10895	5.3
263.11816	38.6
264.08923	5.7
264.12576	10.5
265.09921	18.8
265.13278	19.8
266.10489	15.8
266.14066	7.0
267.11310	53.8
268.12027	9.9
269.12738	11.0
271.10861	4.7
271.14297	7.1
273.12289	8.4
274.10718	7.0
275.11725	5.2
276.12491	3.9
277.09772	11.8
277.13214	4.1
278.10550	15.8
278.13461	2.3
279.08414	4.9
279.11301	78.9
280.12015	12.6
281.12869	22.8
283.10233	2.9
283.14490	2.6
284.11487	3.4
285.12341	30.1
287.13998	4.0
291.11301	33.5
292.11819	16.4
293.09494	3.8
293.12851	22.7
294.13449	3.0
295.10641	8.9
295.14206	2.7
296.11523	6.6
297.12335	39.6
298.13116	5.4
299.13995	18.0
303.11200	2.8
307.10632	9.5
309.12378	11.4
310.12891	19.6
311.10385	3.1
311.13788	23.5
313.15448	4.7
319.10684	18.5
319.13916	3.6
320.11514	3.3
321.12366	11.2
322.12909	3.7
323.10233	10.2
323.13574	5.5
325.11899	22.1
327.13565	11.3
330.16147	4.3
331.16684	4.6
335.13712	4.1
337.11768	15.5
338.12592	3.3
339.13345	9.5
341.15329	3.6
343.12683	2.7
351.13181	3.4
353.14886	5.1
357.14490	9.8
358.15121	4.0
359.16122	3.8
365.15109	3.5
369.14236	4.2
376.19830	3.7
377.14764	3.0
381.14291	4.4
383.15973	3.3
386.18875	4.6
393.14615	5.8
395.16092	4.2
397.17502	4.8
400.16641	7.8
402.18085	3.2
404.19690	9.5
405.14444	3.5
407.16046	7.4
409.14209	3.7
411.15329	12.6
412.16174	5.3
413.17093	6.5
415.18805	3.8
419.16037	3.6
420.16742	3.5
423.15768	5.6
425.17288	5.5
427.15103	3.1
429.16437	21.3
430.17346	7.5
431.18134	4.3
432.19208	7.9
433.14050	4.1
433.19650	3.7
435.15274	7.2
439.14960	5.3
441.16635	18.8
442.17349	3.6
443.18329	3.2
446.20798	3.6
451.15057	7.7
453.16443	12.6
460.18320	2.6
462.20401	3.2
463.14993	8.6
469.16269	17.7
471.17621	5.5
472.18860	4.1
481.16064	19.4
483.18210	4.3
490.19858	7.3
501.18814	4.8
513.18884	3.9
532.21149	2.8
554.22540	3.4
556.20721	8.8
557.21790	5.6
558.22449	6.3
563.20148	3.5
568.20673	8.8
572.24005	11.1
574.21979	13.7
575.22229	4.5
576.22992	3.0
579.19269	9.5
585.21405	3.7
586.21655	10.7
588.23083	5.2
590.24683	9.3
591.19855	5.0
592.23138	18.1
593.23505	8.2
594.24475	12.9
598.21710	7.2
600.23730	2.9
603.21710	3.1
604.23022	15.6
606.24231	6.4
613.26105	3.2
616.22937	13.9
617.23444	3.3
620.22412	6.2
621.23700	3.1
622.23395	3.9
630.24982	4.6
633.24371	3.8
634.23993	92.4
635.24176	9.7
636.25317	7.0
638.26569	2.7
655.27234	4.8
666.26733	19.2
667.27863	3.2
668.27771	3.7
693.29156	7.1
695.31006	5.8
702.26337	5.7
703.26825	9.7
704.27979	8.0
714.25977	5.5
716.27771	3.9
721.28650	41.7
739.29700	25.6
744.27631	100.0
745.28595	20.9
746.28601	9.2
753.30951	3.4
757.30750	49.5
776.30292	26.5
777.30566	8.2
867.34656	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5322
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.2
67.05511	30.9
68.04877	1.0
69.07074	9.2
69.86471	4.6
71.04982	2.3
73.02923	1.2
76.55705	1.0
79.05501	37.6
81.03416	3.3
81.06590	2.0
81.07061	31.7
83.04989	7.4
83.08621	4.0
85.02905	3.5
85.06532	1.1
91.03964	1.6
91.05492	28.5
93.06485	2.1
93.07053	38.5
95.04984	7.8
95.08612	26.0
97.06497	1.8
97.10146	1.4
98.21420	2.0
105.04495	1.4
105.07039	18.6
107.04958	3.3
107.08605	13.4
109.06509	2.5
109.10162	6.6
112.13097	1.1
115.05412	1.1
117.07035	4.2
119.08587	15.0
121.06538	1.5
121.10164	8.1
123.08076	3.1
123.11691	2.4
128.11035	0.9
129.07010	6.6
130.32320	1.1
131.08614	5.5
133.10161	5.8
135.11717	3.7
138.56723	1.0
143.08556	3.9
145.10120	6.5
147.11687	14.8
149.13235	2.2
159.11691	2.1
161.09674	2.6
161.13242	6.0
170.43211	1.1
171.11682	10.7
173.13342	2.1
187.85690	1.0
189.12735	3.6
207.13843	10.3
243.21063	1.2
261.22241	5.1
279.16040	1.9
281.17490	43.7
317.24750	2.0
335.25842	33.1
449.34384	1.2
541.38940	100.0
542.39166	6.5
559.39777	2.7
749.20813	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.2
66.20808	0.4
67.01855	0.9
69.03085	0.9
69.03433	11.8
70.06585	1.6
70.26086	1.9
71.04994	2.5
73.02922	1.0
74.53082	0.4
79.05495	1.0
81.03421	23.0
83.04991	0.7
84.08144	1.0
85.02910	8.3
86.09695	0.7
91.05483	100.0
92.05812	1.1
94.70416	0.5
95.04961	1.3
97.02898	9.7
99.04457	7.9
103.05497	0.9
105.03394	1.3
105.07048	2.7
107.04958	16.9
109.02883	25.7
109.99619	0.5
111.04462	0.6
115.03959	1.9
115.05447	5.7
115.06192	0.7
117.07018	6.0
119.04942	2.5
120.08139	0.8
125.02365	2.0
127.03925	51.5
129.06961	0.5
133.06496	5.9
137.05988	1.8
143.04926	2.6
145.04984	5.4
145.06482	3.5
147.04413	1.5
151.03908	0.9
153.06999	0.5
155.08563	0.6
161.05988	51.3
162.06371	1.0
165.05496	0.7
169.05016	0.8
171.04416	16.2
171.08119	1.0
179.07037	37.8
180.07416	0.7
181.06380	0.6
187.06026	8.2
187.07532	0.5
189.05502	3.9
199.07591	1.9
207.06564	2.0
215.07169	0.9
217.08543	0.8
221.08086	4.2
223.07713	0.6
225.07549	0.8
227.06982	0.6
233.08109	3.0
235.06085	1.6
243.10237	1.3
249.07649	0.7
253.07071	1.5
269.08124	2.0
287.09091	4.5
291.10281	0.5
305.10196	15.8
315.08603	4.0
323.11288	5.4
333.09656	6.5
347.11539	0.5
351.10699	1.5
361.09174	0.6
365.12302	0.9
375.10818	1.1
379.10562	1.1
390.28952	0.6
393.11795	3.2
441.11707	1.2
459.13004	4.8
477.13947	13.9
495.14630	0.7
519.15063	2.5
537.16071	5.9
555.17084	2.0
725.20996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	1.3
67.01841	0.4
67.05530	0.5
69.03433	19.6
69.07063	0.4
70.06586	1.0
71.01363	0.6
71.05004	2.4
73.02917	1.0
77.03956	0.4
78.79301	0.3
79.05479	0.9
81.03421	21.5
81.07076	0.6
83.01344	0.6
84.04556	0.3
84.08160	0.5
85.02910	35.9
86.03230	0.5
86.09725	0.9
91.05485	100.0
92.05827	1.3
95.04980	0.8
97.02897	13.1
98.21127	2.5
99.04459	8.3
101.02380	0.5
103.03960	0.6
103.05489	0.7
105.03416	0.6
105.07030	1.3
107.04962	27.4
109.02887	29.3
109.06461	0.4
111.04481	0.5
115.03940	2.3
115.05446	5.2
115.06187	0.5
115.63697	0.4
117.07021	6.8
119.04952	2.1
121.02905	0.5
121.10184	0.5
123.04427	0.6
125.02332	0.9
127.03925	74.3
128.04254	0.5
133.06474	4.3
137.06020	1.0
139.03923	0.5
143.04903	4.8
145.04980	16.5
145.06494	8.3
147.04445	0.8
151.03912	1.1
153.07019	0.5
155.06044	0.9
161.05986	41.1
162.06392	0.7
163.03983	0.4
163.06039	0.4
164.30820	0.4
167.06889	0.4
169.04982	7.6
171.04416	16.3
177.05508	0.4
179.07043	30.9
180.07530	0.5
181.06534	0.5
182.65964	0.4
185.60875	0.4
187.06027	25.5
189.05476	6.1
199.07574	1.4
205.05171	0.6
205.07076	6.4
207.06500	3.7
210.73398	0.5
215.07228	0.5
217.04974	0.9
221.08119	2.6
223.07693	0.6
225.07512	2.4
227.78484	0.4
231.06528	1.6
233.08098	2.1
235.06021	1.8
243.10274	0.8
249.07599	3.3
253.07072	1.1
263.09216	0.5
267.08636	1.0
269.08063	2.1
271.08154	1.8
287.09140	3.4
289.09183	0.9
295.08276	0.5
297.07596	0.4
305.10226	10.2
315.08719	1.7
323.11307	4.5
333.09644	4.2
347.11221	2.2
351.10724	2.7
359.11871	0.4
365.12411	4.9
366.49545	0.4
369.11874	1.9
375.10910	3.1
380.01373	0.4
393.11819	8.6
411.12979	4.8
413.12247	0.7
431.13257	1.1
441.11945	1.0
449.14359	0.5
453.13882	0.5
459.12793	1.7
473.14185	0.5
477.13937	4.1
491.15417	0.8
495.14990	1.2
501.13791	0.9
519.14978	4.4
537.16125	13.1
538.16095	0.5
543.62842	0.4
555.17139	7.0
729.03723	0.4
788.58539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	4.3
67.05511	70.2
69.03421	4.7
69.06686	1.6
69.07070	22.1
71.05000	3.3
71.51341	2.1
77.03914	1.6
79.05497	54.3
81.03418	24.7
81.07060	75.8
82.07396	1.3
82.48577	1.3
83.04993	6.5
83.08624	10.2
85.02917	4.2
85.06553	3.3
91.04902	2.2
91.05484	45.6
93.07050	62.2
95.01332	7.2
95.04973	15.6
95.08613	57.1
97.02902	4.5
97.06518	7.5
97.10179	4.5
99.08121	1.5
103.05456	1.5
105.07040	43.1
107.04965	11.0
107.08601	36.0
109.06526	7.8
109.10154	21.3
110.17023	1.2
111.00842	1.7
111.08072	4.5
113.02383	1.6
115.05461	3.2
117.07027	20.8
119.04942	2.0
119.06170	1.3
119.08585	33.7
121.02906	2.9
121.06512	15.9
121.10155	25.1
123.04453	4.1
123.08080	4.9
123.11738	9.6
125.02359	4.0
125.09647	2.5
127.03944	1.8
128.06244	2.0
129.07010	13.0
131.04965	2.2
131.08580	26.7
133.06502	4.9
133.10156	23.9
135.04433	4.2
135.08075	5.7
135.11679	21.2
137.06047	3.1
137.09612	3.5
137.13271	2.5
139.03946	3.0
141.01877	3.3
141.06998	5.1
142.07813	1.7
143.08563	13.0
145.06506	3.7
145.10129	27.9
147.04416	6.4
147.08067	5.6
147.11729	15.8
149.05980	4.0
149.09608	3.8
149.13251	8.7
151.03896	1.7
151.07495	1.8
154.07857	1.4
155.08549	5.1
157.10146	9.5
159.08038	2.8
159.11702	18.2
161.05965	3.0
161.09663	2.0
161.13272	11.8
162.13618	1.4
163.03928	4.2
163.07555	2.5
163.11195	7.2
163.14862	1.8
169.10179	7.5
171.11682	17.7
173.05992	3.4
173.09668	2.6
173.13252	10.3
175.07568	1.6
175.11182	2.5
175.14842	4.5
177.12827	8.9
177.16228	1.6
179.08743	1.8
179.14255	2.7
181.10139	2.4
183.11761	6.9
185.09729	1.6
185.13303	6.1
187.11215	3.8
187.14813	6.4
189.12827	7.0
191.14346	2.2
195.11795	3.2
197.09625	1.8
197.13295	5.6
199.11145	2.1
199.14806	4.1
201.12764	4.0
201.16382	1.7
205.12294	4.1
205.16019	1.7
207.11787	1.5
207.13794	25.0
209.13335	2.6
211.11284	2.2
211.14891	2.4
213.12761	1.4
213.16391	1.7
215.14288	3.0
219.13824	2.5
223.14861	3.0
225.12874	1.6
225.14780	2.2
227.12804	4.4
233.15404	3.7
241.19676	1.3
243.13852	4.2
243.21069	2.6
247.13206	2.3
257.19003	1.8
259.20679	2.0
261.14841	12.2
261.22092	6.4
283.15396	6.9
285.22058	2.7
289.14316	17.7
291.15866	3.4
293.17694	2.0
293.20779	1.7
303.23270	2.9
307.15427	15.9
309.16891	1.7
317.24695	1.5
325.16449	10.1
333.24200	4.9
335.15067	8.2
335.25812	82.1
335.94064	1.4
353.15976	9.2
371.17099	1.3
419.33221	2.2
427.19666	69.6
428.20148	2.4
429.21259	3.9
437.34201	6.6
455.35202	2.7
473.36581	2.1
483.34500	1.8
487.34186	1.3
491.26227	1.3
495.33789	1.5
503.34854	1.8
511.37680	5.0
513.34003	1.7
517.32422	1.7
521.36859	1.6
529.38934	78.7
530.39691	6.1
531.34637	3.4
541.33026	2.2
543.36877	12.4
549.35864	4.7
559.33881	3.1
567.37042	2.4
577.35089	4.9
585.37958	1.8
595.37079	7.0
605.38269	2.1
607.39844	1.6
613.37317	15.5
623.39569	2.9
631.38593	2.3
633.38110	2.8
641.40204	2.1
651.38660	4.3
659.41064	2.0
669.39941	6.4
687.41083	61.4
688.41168	2.9
705.42126	100.0
706.42377	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	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	5.1
67.05509	83.6
69.03432	5.9
69.07072	21.9
70.71554	3.6
71.04999	2.1
79.05498	57.6
81.03422	22.6
81.07063	84.3
81.80396	1.5
82.07413	1.6
82.90793	1.3
83.04988	4.8
83.08633	10.1
85.02919	5.5
85.06550	3.2
87.56810	1.6
91.05485	42.3
93.04694	1.4
93.07049	63.9
95.01335	8.4
95.04962	14.8
95.08612	56.4
97.02901	4.7
97.06514	8.0
97.10172	4.2
105.03325	1.8
105.04523	2.6
105.07040	38.6
107.04936	9.5
107.08603	32.8
109.02898	1.8
109.06526	6.9
109.09456	2.6
109.10153	22.0
111.08060	2.8
115.05476	4.4
117.07020	18.6
119.04986	2.1
119.08588	31.3
119.09379	2.9
121.02865	3.7
121.06502	14.5
121.10157	22.1
121.21608	1.7
123.04445	3.3
123.08060	7.1
123.11730	7.9
125.02375	4.2
127.03924	1.9
128.06232	2.1
129.07031	11.7
131.04886	2.4
131.08565	27.7
133.06491	6.1
133.10152	24.5
135.04456	5.0
135.08049	4.4
135.11708	18.3
137.09648	3.2
137.13301	3.4
139.03917	2.6
141.01881	3.7
141.07010	3.6
142.07777	2.7
143.08574	11.8
144.09338	2.2
145.06499	3.2
145.10120	26.9
147.04416	4.8
147.08087	5.1
147.11700	16.4
149.05968	3.8
149.09671	4.2
149.13284	10.4
155.08588	6.8
157.10146	9.3
159.11696	21.1
161.09685	2.7
161.13266	13.5
163.03938	4.2
163.11221	1.5
165.05588	1.6
167.08606	2.9
169.10155	6.4
171.11713	13.5
173.06056	1.5
173.13274	12.0
177.05399	1.8
177.12776	8.1
179.14241	2.2
181.10156	3.0
183.11752	4.3
185.13332	4.8
187.11212	4.2
187.14857	5.0
189.12759	6.0
191.14270	1.7
193.10136	1.9
195.11893	1.9
195.13814	2.7
197.13292	5.7
199.14876	4.7
201.12793	2.7
205.12198	2.5
207.11862	3.2
207.13774	21.2
209.13318	2.3
213.16393	1.5
215.14311	2.5
219.13847	3.4
229.12421	1.7
233.15422	3.8
241.19644	2.7
243.13864	3.7
243.21146	2.0
257.19193	1.7
259.20630	6.7
261.14905	9.2
261.19336	1.3
261.22208	5.9
268.68027	1.5
271.13364	2.1
271.20883	1.5
279.16110	1.7
283.15451	1.8
289.14328	17.1
291.15842	3.1
293.13989	2.0
293.17426	2.5
299.12653	1.7
303.23093	3.0
307.15466	12.7
309.22147	1.5
311.23615	1.6
325.16467	7.0
333.24371	4.1
335.15012	9.1
335.25833	88.5
336.26187	3.2
353.15948	11.4
371.17038	2.3
419.33026	3.2
427.19666	60.2
428.20016	2.9
429.21252	2.8
437.34216	8.1
445.20651	5.0
447.32739	2.1
455.35434	2.4
466.14893	1.7
471.26321	1.9
511.37930	5.7
513.33575	2.1
529.38959	80.6
530.39307	8.9
531.35022	3.4
541.33081	2.7
549.35742	3.1
551.37378	2.6
567.36627	3.5
577.35162	3.3
583.30756	2.0
595.35913	6.5
609.32892	2.2
613.37384	16.3
623.38934	2.1
631.38275	2.9
633.37469	4.4
641.40436	3.0
651.38721	6.2
659.40930	2.0
669.39307	6.3
672.35339	1.8
687.41003	55.9
688.41284	2.9
705.42151	100.0
706.42139	6.1
867.13696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	3.1
65.35564	1.6
67.05511	75.7
69.03423	4.6
69.07074	23.5
70.06073	4.8
70.56118	1.4
71.01373	1.9
71.04984	5.7
73.02905	2.7
79.05499	60.6
79.33340	1.5
81.03422	35.2
81.07060	83.6
83.01347	2.1
83.04990	8.5
83.08625	13.2
85.02898	5.0
85.06529	3.2
85.67173	1.5
91.05486	52.3
93.07047	68.9
95.00807	2.1
95.01329	12.1
95.04979	19.0
95.08613	58.7
97.02890	5.8
97.06556	7.9
97.10165	5.6
99.08086	2.6
105.04480	3.1
105.07034	43.0
107.04963	13.3
107.08596	32.5
109.02871	2.3
109.06508	8.1
109.10162	22.3
110.16796	1.4
111.00848	1.8
111.08070	4.2
111.11722	1.8
113.02386	2.8
115.05471	3.0
115.37934	1.6
117.07024	24.1
119.04926	3.8
119.07809	2.7
119.08595	41.1
120.49268	1.3
121.02840	2.3
121.06516	17.0
121.09317	2.4
121.10147	26.2
123.04448	5.9
123.08071	5.7
123.11710	9.8
125.02348	4.5
125.05994	1.6
125.09636	2.4
128.06219	3.3
129.07001	11.2
130.07776	1.7
131.04921	4.8
131.08575	35.9
133.06462	7.2
133.10144	29.0
135.04414	4.8
135.08046	8.6
135.11710	21.2
137.05956	5.0
137.09596	4.7
137.13248	2.2
139.03915	3.7
139.11247	2.6
141.01816	4.8
141.06969	4.1
143.08577	12.7
145.06499	4.5
145.10132	30.1
147.04408	6.8
147.08133	7.4
147.11700	17.6
149.05968	4.2
149.09589	3.9
149.13258	13.6
151.11182	3.2
155.08566	6.0
156.09375	1.8
157.06476	2.1
157.10164	12.0
159.08067	3.8
159.11696	21.5
161.05954	2.3
161.09622	3.3
161.13283	12.2
163.03912	6.0
163.07530	2.4
163.11229	5.2
163.14822	1.8
167.08609	2.8
169.10136	6.4
171.11678	20.6
173.13268	16.3
175.11261	3.6
175.14838	2.3
177.09160	1.5
177.12764	9.5
179.14276	2.4
181.10091	4.9
183.11691	6.4
185.13219	6.9
187.11131	3.5
187.14815	6.4
189.12762	8.7
195.11710	4.7
195.13727	3.4
197.13277	6.4
199.11092	1.6
199.14793	4.1
201.12733	3.4
205.12228	4.5
205.15846	1.7
207.11856	2.0
207.13789	25.2
209.13306	2.5
211.14717	1.8
215.14201	3.2
219.13788	3.2
225.16602	1.9
233.15411	4.3
235.13249	1.7
243.13754	3.1
243.21178	3.1
259.20599	4.7
261.14902	12.6
261.22128	9.2
265.14215	2.4
268.69662	1.4
271.13248	2.4
275.19989	1.8
279.15894	4.0
283.15424	2.8
285.22153	3.9
288.47058	1.5
289.14316	19.9
291.15927	3.0
293.13980	1.3
293.17499	2.6
299.23734	2.7
303.23218	2.8
307.15387	18.9
325.16571	10.4
333.24124	3.5
335.14935	12.2
335.25827	61.5
336.26083	2.8
353.15976	10.7
371.17114	2.7
427.19659	100.0
428.19952	3.2
429.21143	4.8
437.34265	9.4
445.20947	7.9
455.35092	2.5
491.26053	2.0
503.34760	2.0
511.37823	5.6
513.33844	2.7
529.38947	91.3
530.39471	8.3
531.34546	3.4
543.36798	2.7
549.35760	4.0
559.33521	2.6
567.36810	4.4
569.38220	2.0
577.34918	4.0
595.36938	7.1
602.69434	1.7
605.37866	2.3
613.37128	14.4
615.37225	2.0
623.39087	3.5
631.37817	5.4
633.37427	4.0
641.40686	3.2
651.38525	5.4
669.39752	8.1
687.41058	52.1
688.40906	2.4
705.42108	80.7
706.41943	5.0
836.77600	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	0.8
69.03441	2.5
69.07082	7.3
69.55537	2.9
70.06598	2.0
71.05001	7.9
71.08629	2.9
73.02937	0.8
75.04491	1.4
78.34693	0.5
79.05476	0.6
81.03423	9.0
81.07072	1.2
83.04989	5.8
83.08625	6.2
84.08138	0.8
85.02911	19.3
85.10198	1.9
85.29920	0.5
86.09711	0.9
91.05493	11.1
95.04983	1.0
97.02898	3.8
97.10169	4.5
99.04462	2.3
103.03970	1.9
103.24624	0.5
105.07068	0.7
107.04958	4.5
109.02885	9.3
111.04456	3.8
111.11753	3.5
111.12411	0.5
115.05507	0.9
117.07045	0.9
120.08122	0.5
125.02139	0.9
125.13269	1.3
127.03926	13.8
127.04813	0.8
129.05490	5.5
131.04988	0.7
133.06546	1.3
137.05983	7.0
139.14865	0.6
143.04939	0.8
145.04993	2.1
145.06509	0.5
147.06537	3.6
149.02127	1.4
151.03929	1.3
153.05522	0.9
157.06438	0.8
161.05992	5.0
169.04985	2.4
171.04445	0.5
179.07089	1.3
187.06038	1.1
191.03264	1.9
201.05226	2.6
203.88631	0.4
209.04317	1.0
229.07069	1.2
239.09241	1.3
247.05794	27.6
251.05377	2.1
255.08878	0.6
257.10165	0.7
269.06256	2.7
269.28421	15.3
273.09918	0.6
287.29480	4.3
289.06876	1.4
293.12387	1.5
309.11902	1.4
311.07410	5.1
329.08463	5.3
353.14526	0.5
355.07886	3.6
357.13385	2.2
363.10611	0.9
369.01639	0.5
373.08942	6.1
397.09003	0.6
415.10062	8.4
454.04535	0.6
457.11090	3.8
475.12213	8.0
517.13226	14.6
535.14282	21.8
536.14722	0.9
642.47015	0.6
679.18304	2.4
697.19318	2.6
723.17950	0.6
741.20026	100.0
742.20386	6.2
767.23877	1.1
903.25134	7.8
903.41809	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.277
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
68.99792	0.3
69.03433	0.9
71.01321	0.2
71.04998	8.3
71.50442	0.3
73.02918	0.6
75.04446	0.5
79.48616	0.1
81.03390	0.4
83.04555	0.2
83.04982	1.5
85.02911	12.8
87.04443	0.3
95.04939	0.2
97.02907	0.7
99.04472	0.3
107.04960	0.3
109.02852	0.4
111.00787	0.3
111.03810	0.1
111.04449	1.4
117.05479	0.3
121.02872	1.5
127.03909	0.9
129.05489	3.3
133.02802	0.2
137.02335	0.4
145.04950	0.6
147.04399	0.4
147.06519	1.1
153.01807	1.5
153.05444	0.3
157.04906	0.2
157.06363	0.1
159.06616	0.1
163.06018	0.4
163.93295	0.1
165.01808	0.9
171.04498	0.1
175.07513	0.1
183.02892	0.5
185.06003	0.2
203.07175	0.1
213.05447	0.7
215.36403	0.2
215.38570	0.1
226.80664	0.1
231.06589	0.5
239.09154	0.3
241.04968	0.5
258.05258	0.6
259.05981	0.2
269.04318	0.2
275.11243	0.2
287.05511	100.0
288.05814	2.4
293.12457	0.2
299.05502	0.5
311.05515	0.3
325.07098	0.2
329.06613	1.4
353.06546	0.3
364.99628	0.2
379.08209	0.3
397.09277	0.5
407.88397	0.1
415.10248	0.4
431.09741	0.2
433.11282	0.9
449.10834	27.3
450.11124	0.9
557.14581	0.1
586.60602	0.1
595.16388	0.6
611.15448	0.6
858.89392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	0.7
70.06599	0.2
70.88766	0.2
71.04995	0.7
77.03924	0.3
79.05494	1.7
81.03422	5.8
85.02910	1.4
88.51054	0.2
91.05477	0.4
91.18846	0.2
95.04969	1.6
97.02885	1.3
99.04457	6.0
101.53987	0.2
103.03949	3.6
105.04532	0.9
105.07076	0.3
107.04961	100.0
108.05278	1.0
109.02886	12.5
117.08150	0.2
119.04939	0.6
119.05766	0.2
127.03922	39.4
128.04269	0.4
137.05962	0.7
145.04971	3.2
169.04971	6.5
187.06024	10.8
211.06079	1.3
213.09105	1.3
224.10303	0.2
229.07080	31.0
230.07385	0.4
289.09189	18.5
290.09601	0.4
439.42133	0.2
495.15125	0.2
532.80042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	6.5
67.05515	76.6
67.44051	3.6
69.07072	32.7
71.51864	7.5
74.52644	3.3
76.97443	3.4
79.05494	42.8
81.03424	29.6
81.07060	74.9
83.04988	11.3
83.08633	20.3
85.02927	10.1
85.06540	4.7
91.05484	42.1
93.07052	53.1
95.01340	9.0
95.04991	18.7
95.08612	62.3
95.70672	3.5
97.02897	6.9
97.06545	7.0
97.10161	14.2
105.07022	33.5
107.04948	11.4
107.08578	27.2
109.06517	10.6
109.10163	24.2
111.08068	4.4
117.07038	15.2
119.08584	29.0
121.06503	19.2
121.10160	24.1
123.08062	4.4
123.11723	8.4
125.02361	6.9
129.07021	10.5
131.04918	5.9
131.08559	17.4
131.38043	3.7
132.08618	3.7
133.10138	24.7
135.08080	5.5
135.11711	15.9
143.08546	6.7
145.10103	16.5
147.04407	6.6
147.08025	4.2
147.11713	10.0
149.05940	3.9
149.09625	6.1
149.13260	9.4
155.08650	3.8
159.11705	12.8
161.13280	10.8
163.11256	6.6
163.14900	4.7
171.11687	11.1
173.13228	6.8
175.11220	4.1
175.14772	6.1
177.12767	12.7
197.13274	4.7
207.13824	19.1
217.19533	4.6
233.15324	4.0
243.13855	4.3
261.14856	13.2
261.22006	6.7
269.88229	3.4
283.15503	5.3
285.17108	8.4
289.14279	18.9
291.16162	6.6
305.24905	6.2
307.15414	12.0
325.16528	5.6
335.14832	4.2
335.25830	21.5
337.27383	57.3
353.16028	10.9
367.22137	3.9
427.14151	6.7
427.19666	100.0
429.21265	5.4
439.35785	7.3
445.20782	5.1
522.03961	4.2
531.40533	66.8
545.38275	15.5
579.36475	4.3
615.38837	13.8
671.41150	6.0
689.42566	63.9
707.43817	82.5
819.44098	4.7
904.48639	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	906.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	0.6
68.05032	0.9
69.03429	2.2
70.06606	0.6
70.69141	0.7
70.69474	0.8
71.05000	0.5
72.08159	11.4
80.05026	1.4
81.03428	2.6
81.79927	0.4
82.06578	1.9
83.04976	0.7
83.06102	0.5
84.03988	0.6
84.04510	16.6
84.08146	58.7
96.04491	17.4
97.02897	3.0
98.06064	6.3
99.04468	0.9
101.10786	1.7
102.05568	0.5
109.02874	4.2
114.05543	0.5
124.03923	0.5
126.05521	24.2
127.03937	1.2
129.06609	0.7
129.10248	51.3
130.05042	2.2
130.08643	1.6
138.05507	100.0
139.05891	1.0
140.07089	0.5
144.05403	0.6
144.05635	0.3
144.06560	17.9
144.10205	18.4
147.11304	2.1
148.88550	0.4
149.10786	0.6
150.05482	0.7
155.94391	0.4
167.11856	1.8
168.06573	17.0
172.09688	1.1
184.09802	0.4
186.07648	9.8
191.11755	2.5
194.12866	0.6
195.11278	8.7
195.12914	0.6
200.14047	0.4
201.12350	5.2
204.08681	7.0
218.15004	21.2
223.10817	0.7
240.13445	3.2
241.12015	0.7
254.15099	0.5
258.14493	9.6
277.55264	0.5
284.16205	0.7
329.17126	6.7
347.19229	8.1
357.16565	4.7
375.17874	0.7
399.18460	0.5
429.23825	1.3
518.28265	4.4
524.22522	1.3
560.24646	1.6
614.30579	0.9
622.74371	0.4
703.35126	32.3
704.35724	1.3
906.43048	42.3
907.43524	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	5.5
69.03431	3.2
69.07082	1.4
69.55724	1.9
71.01367	0.6
71.05016	0.5
73.02926	4.3
79.05495	3.8
81.03429	2.7
81.07061	5.3
81.07527	0.4
83.05003	0.4
83.08643	0.8
85.02905	6.1
85.03378	0.4
87.04472	0.3
91.03963	3.1
91.05489	2.9
93.07048	5.0
95.04987	1.1
95.08605	4.5
97.02901	4.6
97.06553	0.5
97.10222	0.4
99.04457	1.3
101.02391	1.9
103.03971	0.6
105.07040	2.0
107.05006	0.6
107.08609	2.3
109.02890	0.7
109.06526	0.6
109.10178	1.8
112.16403	0.3
114.80820	0.3
115.03982	0.4
117.07028	0.7
119.08603	1.4
121.06534	0.4
121.10165	1.7
123.08111	0.3
123.11700	0.5
127.03946	1.6
129.07025	0.4
131.08572	1.4
132.07983	0.3
133.10179	0.7
135.04436	0.3
135.11761	0.9
145.05025	0.4
145.10158	1.2
147.11748	0.5
149.09737	0.3
149.13277	0.6
159.11780	0.7
163.14923	0.3
171.11626	0.4
185.04280	1.1
195.13962	0.3
203.05341	0.5
207.13902	1.1
231.91159	0.3
235.13187	0.4
243.08429	2.2
261.14862	0.4
289.14545	0.3
295.24402	0.3
305.13864	0.6
335.25879	1.5
336.26440	0.4
349.16428	0.3
351.14249	0.5
373.58484	0.3
391.49921	0.3
393.15265	2.1
411.16302	5.3
425.21356	0.5
449.17325	0.3
453.21146	2.0
467.18744	0.3
519.29315	7.5
523.21527	0.5
541.23596	0.4
547.39526	0.3
569.22424	0.7
595.24725	0.4
611.23694	0.4
629.23993	2.1
659.42462	0.5
731.43585	0.3
847.44354	0.4
889.45551	1.7
907.46631	100.0
908.46912	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	909.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	2.1
68.99789	7.0
69.03436	13.0
71.01355	1.1
71.50889	2.3
72.66995	1.1
73.02898	1.4
73.86482	1.3
81.03426	7.9
85.02908	45.2
87.64494	1.4
91.05476	5.4
95.04951	6.8
97.02901	7.3
99.04460	2.7
107.04958	43.8
109.02876	16.2
111.00812	1.6
111.04447	1.9
115.03938	1.5
119.04110	2.1
119.04944	30.6
121.02866	42.8
121.06467	2.7
123.04430	21.7
127.03924	15.5
131.04901	1.9
133.06480	2.4
139.03900	21.9
145.02870	3.7
145.04953	3.0
145.06494	2.5
147.04408	29.4
149.02362	6.4
151.03920	15.4
157.06525	6.7
161.06023	3.4
163.03870	2.8
165.01834	4.0
167.03365	2.2
169.04907	1.4
171.04416	4.2
173.05995	1.6
175.07414	2.5
177.01808	1.9
179.03351	3.0
185.05977	8.4
187.03777	1.4
187.05991	1.6
189.01741	2.8
189.05403	2.7
191.03433	3.0
195.02821	2.8
197.05992	2.0
199.07465	2.2
201.05252	1.2
203.03441	1.4
203.07007	8.4
205.07079	15.9
207.02950	3.3
212.45135	1.2
213.05496	9.9
215.03471	1.7
215.07062	5.0
219.02800	3.2
223.02477	1.4
225.05429	2.2
227.03465	1.5
227.06985	1.9
229.01476	1.7
229.05098	2.9
231.06523	86.0
232.06783	3.2
232.93181	1.3
239.07098	1.6
241.04987	8.1
243.06505	5.0
245.04449	2.5
245.08105	7.3
251.03389	1.6
253.04977	4.1
255.06508	10.2
257.04541	7.8
257.08066	10.7
258.05151	2.1
267.03635	1.2
267.06497	23.5
268.07053	2.3
269.04425	23.2
270.05185	1.9
271.02313	2.3
271.06030	7.6
273.07608	23.5
279.06616	5.6
280.07275	1.3
281.04480	4.1
281.07935	2.7
283.02402	8.6
283.05997	29.4
284.06793	7.8
285.03964	5.8
285.07108	1.6
287.05478	31.2
293.04459	8.3
294.05161	9.6
295.02493	9.4
295.05981	100.0
296.06354	2.9
297.03894	3.0
297.07587	6.3
299.05441	4.0
303.96362	1.5
307.05972	15.5
308.06812	6.9
309.04062	2.0
309.07465	17.2
311.05524	12.2
313.03391	28.3
313.07056	83.8
314.07419	1.5
319.06003	5.2
321.07483	8.1
323.05548	3.0
323.09091	1.9
325.03607	1.7
325.07047	27.1
329.06403	10.6
331.04355	6.6
333.07611	2.6
335.05548	4.9
337.03409	3.7
337.07028	43.6
339.08865	1.3
345.07648	8.9
347.05511	18.7
349.07089	4.5
351.08624	2.1
353.06400	3.8
355.08142	38.7
361.07144	3.4
367.08182	2.9
371.08823	3.5
375.08746	1.4
379.08389	10.2
387.08740	10.1
389.06549	4.2
391.07959	1.3
395.08292	1.4
397.09390	7.3
399.08621	10.2
401.06427	2.9
402.07434	3.6
403.08023	2.3
411.08218	3.0
413.06046	2.5
413.10608	3.0
415.10202	8.1
417.09763	23.6
419.07794	2.6
423.08545	1.8
429.09622	4.5
431.07590	50.4
432.07962	1.3
437.10358	1.6
441.09720	4.1
443.07550	5.9
449.08728	5.5
457.11206	5.8
459.11035	3.3
461.08740	2.0
473.08722	3.4
475.12399	99.9
476.12421	3.5
485.08597	1.7
491.09662	6.6
497.08432	1.5
517.13428	9.2
533.10986	3.2
543.12854	7.2
549.11377	4.7
551.11499	3.5
555.12689	2.9
567.12921	66.5
568.13214	2.2
579.14288	3.5
585.13861	6.3
593.12469	2.2
609.13892	12.1
611.14081	6.6
621.13885	1.4
627.14948	62.1
628.15125	2.9
651.14258	2.4
669.16040	6.8
679.18036	1.8
687.16980	9.8
708.67474	1.4
729.18134	9.2
747.06232	2.3
747.19049	35.3
748.19080	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	5.7
66.98986	4.2
67.05502	14.3
69.03429	13.1
70.06590	27.6
71.50486	6.4
72.08157	4.8
76.37837	3.8
79.05491	13.4
80.05035	6.0
81.03422	22.8
84.08142	16.3
85.02914	22.3
86.09700	10.5
87.04466	4.6
91.05492	27.0
93.07053	19.9
94.06580	32.1
95.04997	12.5
95.07356	16.1
95.08659	4.6
96.08138	37.4
97.02893	13.3
97.06499	5.6
99.04458	6.2
102.12300	5.0
103.05485	10.8
105.05804	5.2
106.06579	6.0
107.04959	49.5
107.08591	7.7
108.04459	10.3
108.08124	84.4
109.02889	13.3
109.06544	4.7
110.09683	60.8
116.04960	8.9
116.61556	4.3
120.04488	9.0
120.08099	65.8
121.06516	7.7
122.03657	9.0
122.06027	24.7
122.09679	10.2
123.04429	7.5
124.07618	29.8
127.03923	14.1
131.04938	13.2
132.08080	12.9
133.10158	6.0
134.06044	15.1
134.09650	7.7
136.07588	70.6
137.05983	89.5
137.06950	7.5
138.06339	6.2
138.09149	76.4
144.04485	13.3
146.06053	38.6
147.04410	8.0
148.07584	52.7
150.09129	15.5
151.07600	5.4
152.07063	42.3
158.06032	6.7
158.09665	5.4
160.03931	13.1
160.07574	18.7
161.06018	22.7
162.05490	13.3
162.09157	8.6
163.03925	5.5
163.07535	10.1
164.07114	18.6
166.08655	91.4
167.07100	15.4
172.03944	78.0
172.07620	4.5
174.05518	6.4
174.09077	8.9
176.07051	6.9
179.07069	4.9
180.10158	4.8
181.04932	10.6
184.09953	5.3
186.09131	7.1
190.05013	45.6
192.30696	5.1
197.10777	8.5
198.11568	14.3
199.12283	8.4
201.09102	6.2
202.08681	10.2
204.06575	87.8
207.02242	4.1
208.09767	16.4
209.10782	6.9
210.11531	11.1
211.09006	4.6
211.12346	35.3
212.13136	5.3
213.10234	6.1
214.08665	6.7
218.08228	9.4
220.09853	4.9
223.12335	18.8
224.09503	5.3
225.10245	34.2
225.13921	15.7
226.08978	5.9
226.11050	18.5
227.11795	23.7
229.13455	5.3
230.08093	4.7
230.11745	19.8
237.10297	37.9
238.10910	25.8
239.11778	80.2
240.10400	5.3
240.12654	18.8
241.13364	10.0
244.13362	54.3
246.11287	6.5
248.08542	6.3
249.10251	21.6
250.10898	21.7
251.08038	8.4
251.09119	6.6
251.11833	79.1
252.09010	4.8
252.12535	23.3
253.09715	16.6
253.13347	40.6
254.13969	5.9
255.11217	10.2
255.15021	8.3
257.12915	5.7
262.10794	8.1
263.11871	43.1
264.12576	14.1
265.09885	33.8
265.13257	30.1
266.08051	4.8
266.10522	18.3
266.14136	11.3
267.11349	67.4
267.14267	8.7
268.12012	6.6
269.12805	17.3
271.10831	7.4
271.14392	14.7
273.12378	10.2
274.10678	10.0
275.11804	5.9
276.12393	5.0
277.09805	10.0
277.13257	9.5
278.10428	20.3
279.11298	85.3
280.12000	16.6
281.12878	48.3
283.10614	5.0
284.11618	9.6
285.12344	40.7
289.09796	5.1
291.11240	29.4
292.12042	22.9
293.12650	37.0
294.13489	8.3
295.10703	14.3
295.14264	7.4
296.11520	11.5
297.12378	60.7
298.13089	5.8
299.13889	61.0
301.15665	5.5
307.10614	15.9
309.12372	30.1
310.12973	29.6
311.10773	6.2
311.13834	34.2
313.11789	8.3
313.15460	16.7
317.12766	7.9
319.10742	18.8
321.12186	20.4
323.10001	7.7
323.13654	11.6
325.11798	19.7
325.15002	7.1
327.13364	23.6
335.13782	4.7
337.11868	13.5
339.13275	22.6
341.14777	19.5
344.11105	8.3
351.13354	12.3
353.14801	6.3
357.14481	18.9
359.13620	6.2
369.14502	12.8
370.15506	5.5
373.15173	5.5
377.14819	6.0
381.14700	14.1
383.16345	8.5
387.16855	6.4
391.16650	9.0
393.14618	5.2
394.14896	5.1
395.16122	11.3
397.17804	9.1
400.16394	11.8
401.16949	8.6
405.14270	5.4
407.16138	7.6
411.15488	19.0
412.16394	7.2
413.17197	12.7
414.18393	6.4
415.18567	6.8
416.16818	29.9
423.15671	8.9
425.16965	15.4
429.16461	17.0
430.17487	11.4
432.19144	10.9
433.19156	12.3
435.15527	14.0
439.14685	8.2
441.16458	16.2
443.18054	16.4
449.17151	14.6
451.14905	9.4
453.16739	28.2
455.18295	10.0
457.20071	5.0
463.14923	14.0
469.15997	17.3
471.17465	8.9
472.18228	6.4
481.16104	18.5
483.18073	7.0
485.19220	9.7
490.19321	6.8
513.43250	5.4
515.20392	7.8
522.20020	5.5
532.18469	9.6
535.21045	7.5
547.20740	16.1
548.21649	5.9
549.22156	12.6
556.20636	10.8
559.20837	7.7
566.24908	7.6
568.20404	7.0
572.23773	12.8
574.21954	10.6
575.20599	29.8
576.21442	8.8
577.21887	11.4
586.22034	8.3
588.23047	17.2
590.24890	15.8
592.22968	24.4
593.21686	9.7
594.24329	14.6
598.21613	10.0
600.23737	10.9
604.22864	13.0
606.24103	25.5
607.23083	45.4
608.25653	43.6
609.24561	9.0
616.22681	16.0
618.24744	9.7
622.23926	5.3
624.24988	16.0
634.24011	100.0
635.24609	16.6
636.25867	7.1
648.26019	8.0
652.25031	13.3
666.26862	31.1
667.27155	8.5
672.29742	7.2
695.30450	13.3
698.27032	55.7
703.27399	9.4
707.05029	5.0
712.28711	11.7
714.29767	12.1
721.28876	63.4
725.31122	5.9
728.27777	9.0
730.29437	37.9
731.31805	11.6
739.29675	25.7
740.27710	6.7
742.28986	17.1
743.32227	6.1
753.31110	10.9
757.30750	90.2
758.28796	18.4
772.29968	7.0
775.31366	12.3
789.32501	13.5
790.31641	9.2
835.34869	14.1
845.33990	8.9
863.34357	17.7
867.36652	15.2
913.32562	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	916.4599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	0.4
69.07068	0.5
70.06593	67.1
71.06935	0.3
71.51383	0.3
72.08158	3.8
83.06116	0.6
84.04505	9.6
84.08134	0.4
86.06091	0.3
86.09218	0.5
86.09709	6.6
98.06052	0.4
99.09235	0.5
101.07147	6.5
102.05625	0.2
107.04975	1.0
109.02895	0.3
112.03964	0.3
112.86167	0.2
114.05607	0.3
115.05470	0.5
115.08732	0.3
117.03710	0.7
117.05782	0.3
118.06879	100.0
119.07214	0.5
127.03962	0.3
127.08686	1.1
129.06599	4.4
129.10292	0.2
130.04982	0.4
130.06526	4.0
131.04913	0.4
132.04814	0.7
132.08112	1.5
137.05989	0.8
138.09158	1.9
142.06531	0.5
144.08128	0.6
147.04387	0.6
148.06052	1.1
153.10228	0.4
155.11787	0.6
157.06099	2.6
159.09183	7.4
160.07623	0.4
163.03917	0.4
163.08998	15.0
169.07640	0.7
170.06013	4.8
171.09242	0.3
174.05806	0.5
178.05026	0.6
181.09811	0.5
182.08401	0.3
182.12926	1.2
183.11346	3.0
183.14929	10.2
185.10774	0.3
187.08730	0.8
198.12758	0.9
200.13939	3.4
201.10628	0.5
209.09166	0.4
210.12393	1.0
211.10745	0.5
211.12485	0.6
211.14388	3.6
221.12839	0.6
223.12326	1.6
225.13934	0.7
226.05280	0.6
228.13370	1.5
239.11833	1.0
242.16585	0.7
243.07985	1.9
246.12720	11.3
247.13028	0.3
256.14590	0.5
257.09561	0.7
261.14496	1.5
274.12201	28.4
275.12302	0.3
284.13934	0.8
286.15555	1.1
310.15732	0.3
328.16861	0.7
332.14182	0.5
334.19910	0.3
345.19550	0.8
352.20642	0.4
356.16360	0.4
358.19748	13.0
359.19757	0.4
373.19043	39.2
374.19324	1.3
383.20731	0.4
392.17636	0.3
397.22247	0.5
414.21469	0.5
430.21164	0.7
442.21201	0.5
496.28467	0.3
515.28033	6.9
527.25085	0.8
531.27490	13.7
532.27551	0.5
539.25677	0.3
542.24554	0.7
544.27667	11.1
545.27948	0.5
559.26990	27.9
560.27478	1.3
643.34314	0.7
656.32233	2.6
657.32507	0.4
663.15332	0.3
769.40411	2.4
771.40143	0.3
916.46075	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	918.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	5.6
67.05511	70.1
68.99740	1.7
69.03434	6.6
69.07073	18.6
69.63171	1.2
71.01362	3.0
71.04989	4.4
72.34215	1.3
73.02898	2.0
77.03905	1.5
79.05502	55.6
81.03427	18.4
81.07063	64.0
83.01337	2.1
83.04970	5.8
83.08629	12.7
84.42021	1.4
85.02892	6.1
85.06539	2.2
91.05488	46.4
93.03386	1.5
93.07054	54.0
94.82208	1.5
95.01331	14.6
95.04986	13.9
95.08615	46.1
97.02889	6.9
97.06519	6.1
97.10167	5.0
98.21529	3.8
101.02384	3.4
103.05477	4.1
105.06336	1.0
105.07035	28.9
107.04955	10.1
107.08607	25.7
107.28291	1.4
109.02866	4.9
109.06513	6.1
109.10168	31.7
111.00821	1.8
111.04443	3.4
111.08071	4.3
111.11647	1.6
115.05450	3.6
117.07034	18.2
119.04935	4.8
119.07806	2.0
119.08593	26.9
121.02888	3.5
121.06536	9.4
121.10155	24.2
123.04469	8.5
123.08077	4.4
123.11722	6.9
125.02351	4.4
125.09630	3.3
127.03931	2.3
128.06233	1.5
129.07051	9.9
131.04944	7.9
131.08571	21.5
133.06543	7.3
133.10150	19.6
135.04430	10.6
135.08090	6.8
135.11681	12.2
137.05971	4.4
137.09599	4.7
139.03874	3.9
139.11188	1.8
141.01852	4.2
141.06990	5.6
142.07814	2.6
143.08531	8.8
145.06516	7.5
145.10112	16.9
147.04434	17.2
147.08070	5.1
147.11684	11.4
149.02318	1.4
149.05971	4.8
149.09590	4.8
149.13237	5.8
151.03891	10.2
151.11185	1.8
153.05502	1.8
154.07765	1.6
155.08586	4.7
155.10635	2.8
157.06476	2.4
157.10181	8.7
159.04384	3.6
159.08020	1.9
159.11705	12.8
161.06023	6.7
161.09627	4.8
161.13274	7.2
163.03947	7.9
163.07489	1.9
163.11108	1.9
165.05457	3.6
165.09171	1.9
165.12762	2.6
167.03392	1.6
167.07219	1.4
167.08606	3.9
169.04962	5.4
169.06386	2.5
169.10159	5.7
171.08054	3.3
171.11745	6.3
173.06046	4.3
173.09726	2.9
173.11784	3.8
173.13287	5.3
175.03891	9.4
175.07500	3.5
175.11172	6.3
177.05502	3.3
177.09032	1.6
177.12735	4.2
179.03337	2.9
179.08604	2.0
181.04942	2.2
181.10123	3.5
183.08058	1.5
183.11694	3.7
185.06009	1.7
185.09613	3.3
185.13313	3.4
187.03841	2.2
187.07475	2.2
187.11200	8.6
187.14839	2.8
189.05527	2.9
189.11139	1.9
189.12701	3.3
191.03423	2.0
193.04997	3.3
193.12245	5.6
195.08202	2.4
195.11707	3.2
197.09665	3.6
197.13202	2.0
199.11182	5.0
201.09074	1.7
203.03401	1.6
203.10683	3.9
205.12196	4.9
207.13864	2.8
211.13268	3.6
213.05499	2.0
213.09061	2.4
213.12810	2.1
215.10658	4.4
217.05023	1.5
217.12227	6.1
219.06461	1.9
223.11250	2.2
225.09256	3.2
225.12776	2.1
227.10660	4.1
229.14249	2.4
233.11694	4.9
234.99673	1.5
235.13222	2.3
241.12215	5.0
243.10233	4.0
243.21078	4.0
245.11722	4.7
251.10406	1.5
251.12727	4.2
255.10190	2.4
259.09769	1.4
259.13318	4.7
259.20547	3.2
261.11179	5.0
261.14719	2.1
261.22174	13.9
267.15994	2.7
269.11841	5.0
271.09827	1.4
271.13321	3.1
277.14407	1.7
279.12430	2.4
287.12802	17.2
289.10693	1.8
289.14310	6.1
305.13876	4.9
307.12067	1.7
307.15417	2.5
315.12247	10.9
317.24808	3.0
323.14951	2.3
333.13306	22.4
333.24243	2.9
335.25821	100.0
336.26151	5.6
351.14481	21.1
353.15836	1.8
354.46014	1.4
363.17722	2.0
369.15393	4.2
371.16812	2.2
389.15921	1.6
407.16995	18.8
423.16614	1.5
425.18094	26.5
427.19446	2.0
443.19119	24.2
461.19894	1.8
482.97516	1.4
527.37610	8.5
545.38068	3.9
565.34906	2.0
583.36255	2.3
587.23431	3.2
593.34406	3.3
611.35614	7.2
613.36749	2.0
623.38916	5.8
625.36969	4.0
629.36090	2.9
631.37939	5.0
641.39868	2.9
649.36859	4.4
659.41858	2.0
667.38403	42.8
668.38776	3.3
685.39496	75.7
686.39227	4.2
703.40533	85.6
704.40570	5.6
721.41833	8.7
742.25690	1.4
775.41852	1.6
847.44397	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	920.319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.4
69.03434	4.8
69.12875	0.2
70.06597	2.1
71.05003	1.4
72.08162	0.6
73.02927	0.2
74.06101	0.3
76.90389	0.2
77.03946	0.4
79.05498	1.5
81.03417	5.8
81.07073	0.5
83.01354	0.5
84.04507	0.4
84.08138	0.8
85.02908	11.2
86.03238	0.3
86.09695	0.9
91.05484	34.2
91.10506	0.2
92.05822	0.5
95.04971	2.0
97.02898	5.8
98.20899	1.1
99.04461	3.8
103.05431	0.4
105.04528	0.9
105.07035	0.6
107.04959	100.0
108.05303	1.2
109.02885	12.4
110.07118	0.3
115.03947	0.4
115.05464	1.5
115.08751	0.3
117.07033	3.3
120.08091	0.3
127.03923	30.4
128.04234	0.4
129.10260	0.5
131.05002	0.2
133.06490	1.5
136.07637	0.4
137.05983	0.8
139.03880	0.4
143.04951	1.7
145.04973	10.9
145.06488	3.8
147.04417	0.4
151.07507	0.3
155.06064	0.7
159.11661	0.2
161.05991	13.4
167.07129	0.3
169.04973	5.3
171.04416	7.2
175.07520	0.4
179.05478	0.5
179.07043	9.9
187.06033	8.4
189.05504	3.1
205.07076	3.0
205.48055	0.2
207.06512	1.1
221.08038	1.3
225.07617	0.7
231.06587	0.7
249.07558	2.4
267.08801	0.2
269.08130	0.5
287.09091	1.2
293.66415	0.2
305.10150	3.3
315.08618	0.9
333.09729	2.7
347.11285	2.3
351.10919	1.3
357.09616	0.3
365.12329	0.6
375.10760	13.0
393.11829	8.5
411.12860	10.3
411.18387	0.5
856.84595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.9
66.04211	0.5
67.05507	55.3
69.03434	2.1
69.07076	10.5
69.07455	0.7
69.92583	0.9
69.92969	1.5
71.04993	15.8
73.02896	2.8
73.06551	0.8
79.05495	30.0
81.03419	1.9
81.07057	84.1
82.07378	0.5
83.04972	4.5
83.08622	6.8
85.02905	9.3
85.06550	6.3
85.52007	0.5
91.03960	6.6
91.05482	24.7
93.07047	34.0
95.04980	2.4
95.08607	24.8
97.02888	6.3
97.06551	4.5
97.10176	2.3
99.04455	0.6
99.08113	1.0
105.04530	1.1
105.06319	0.6
105.06512	0.3
105.07037	14.7
107.08592	18.4
109.02859	0.7
109.06522	1.3
109.10158	11.9
111.08102	2.4
117.07044	4.9
119.08585	8.2
121.10147	14.8
123.08131	0.7
123.11708	12.8
125.09666	0.5
127.03902	2.5
129.07004	1.1
131.08575	8.1
133.10138	16.5
135.08081	0.7
135.11699	9.8
137.09550	0.5
137.13344	0.8
141.37306	0.4
143.08557	0.9
145.04965	2.6
145.10123	5.5
146.49060	0.5
147.11679	5.0
149.13258	7.1
149.14365	0.5
151.11188	5.8
151.12207	0.6
153.12755	0.9
157.10182	1.4
159.11687	6.0
161.13258	2.5
163.06056	2.3
163.14888	1.0
165.12718	0.7
169.12250	1.3
171.11739	1.1
173.13248	3.4
175.14812	1.0
177.12772	1.6
179.14244	0.7
180.08609	0.6
183.11731	0.6
183.13846	2.4
185.13240	0.5
187.13338	2.8
187.14857	1.7
195.13882	1.5
199.14897	0.8
201.14781	0.8
201.16432	1.0
213.14859	0.5
227.16489	2.0
241.19576	0.7
243.16003	1.5
243.21194	0.8
253.18021	1.3
257.17520	1.7
259.20700	1.0
261.22208	2.1
269.17499	5.1
271.20001	0.5
283.18982	1.0
287.23471	0.6
299.08618	0.5
299.23901	0.5
301.20068	16.7
317.24869	1.0
335.25806	19.9
363.25479	0.8
393.31296	0.8
411.32489	0.9
419.33072	0.5
421.29391	0.6
429.33548	0.7
437.34320	1.9
445.24371	0.9
455.35095	1.0
485.36151	4.5
503.37335	78.9
504.37784	3.2
511.37851	1.9
517.39014	3.9
529.38904	24.4
530.38983	1.2
547.39935	0.7
561.41516	100.0
562.41663	4.4
705.45502	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	920.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
64.28444	0.3
65.03943	2.0
66.21139	0.4
67.05505	49.1
68.05826	0.7
69.03437	2.0
69.07071	9.6
71.04600	0.8
71.04993	15.8
73.02912	2.3
73.06595	0.3
77.03936	0.6
79.05492	28.7
81.03419	1.5
81.07056	75.5
82.07404	0.9
83.04973	3.1
83.08621	6.1
85.02903	7.8
85.06550	6.2
87.04482	0.5
91.03961	4.4
91.05482	22.1
93.07044	30.0
94.07392	0.7
95.04973	3.0
95.08608	20.8
97.02901	4.1
97.06548	3.1
97.10168	2.0
99.04467	0.7
99.08092	1.2
105.04526	1.0
105.07036	11.9
107.08596	17.5
109.02887	0.6
109.06510	1.6
109.10158	9.8
110.88946	0.3
111.08092	1.4
113.05984	0.6
113.09628	0.4
117.07014	5.0
119.08593	6.3
121.06547	0.5
121.10146	12.8
123.08121	1.0
123.11713	11.3
125.09639	0.7
127.03916	2.0
129.07048	0.6
131.08571	6.4
133.10136	15.8
134.98170	3.5
135.11693	8.2
137.09634	0.5
139.11169	0.5
143.08583	0.5
145.04999	1.5
145.10126	3.6
147.11687	3.5
149.13264	4.5
151.11180	5.3
151.14822	0.4
153.12714	0.4
156.72012	0.3
157.10149	0.9
159.11681	4.6
161.13264	2.8
163.06049	2.0
163.14839	0.8
169.12299	1.2
171.11725	0.7
173.04456	0.4
173.12013	0.4
173.13264	2.3
175.14835	0.7
177.12715	1.7
179.14420	0.5
183.13823	2.0
185.13298	0.3
187.13318	3.2
187.14894	1.3
195.13812	1.7
201.14827	0.8
201.16501	0.4
227.16309	0.8
243.15939	0.9
243.21217	0.3
251.16310	0.5
253.17859	0.5
257.17560	1.4
259.20645	0.6
261.22089	2.4
269.17471	4.8
283.18967	0.6
285.16901	0.4
287.23764	0.4
301.20084	12.2
317.24750	1.1
335.25809	23.2
336.26257	0.8
338.27936	0.4
359.25876	0.4
361.27228	0.5
363.25107	0.4
392.73166	0.4
393.31790	0.4
411.32523	0.8
437.34164	0.9
445.24493	0.7
471.24796	5.1
472.25171	4.9
485.36407	2.5
503.37320	68.7
504.37869	3.4
511.37900	0.8
517.38916	3.3
529.38910	15.6
547.39716	0.8
561.41510	100.0
562.41803	3.6
647.41522	0.7
673.42841	0.6
691.44232	0.6
705.45752	2.2
738.34949	0.4
855.00281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03523	0.7
68.05010	0.8
69.03421	2.1
69.71358	4.4
70.06589	1.6
80.05019	1.6
81.03417	1.4
82.06581	24.0
83.06084	1.3
84.04049	1.4
84.04514	17.9
84.08148	3.7
88.79321	0.7
89.93547	0.6
96.04502	16.5
97.02888	2.4
98.06062	6.7
100.07619	1.1
102.05553	2.8
109.02897	3.3
110.06035	1.3
116.07092	6.9
126.05529	22.7
127.03920	1.4
128.07086	100.0
129.06604	1.4
130.05028	3.0
132.50764	0.7
138.05513	85.4
144.06564	17.3
144.07619	1.3
145.09749	2.5
147.07652	1.1
153.10228	1.5
155.08095	0.8
162.40530	0.7
167.11868	1.0
168.06592	18.0
173.09233	62.7
186.07619	11.8
191.10323	1.5
193.09758	2.6
199.10799	13.1
204.08670	8.0
211.10785	1.7
227.10309	1.6
230.10295	1.5
235.10692	1.2
239.10284	16.1
244.12927	3.6
257.11337	1.9
258.09662	1.6
262.14001	22.3
284.12390	4.5
301.14011	7.4
302.13501	33.0
302.16943	1.7
303.13840	1.2
328.15045	1.4
329.13470	7.3
373.17194	1.7
391.18234	24.3
427.18298	0.8
445.19376	7.6
496.19254	2.0
516.22833	1.4
532.21320	2.9
534.24133	16.7
571.85663	0.8
612.24841	1.1
630.26263	5.6
701.30060	1.4
719.30939	52.1
720.31152	1.9
922.39063	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	923.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
64.02727	0.5
67.05507	5.4
69.03445	2.8
69.07078	1.3
69.67170	3.1
71.05029	0.6
72.27479	0.5
73.02925	2.5
78.25963	0.5
79.05500	3.9
79.84767	0.5
81.03426	1.7
81.07067	5.0
83.08630	0.8
85.02913	4.7
91.03967	1.9
91.05480	3.3
93.07055	4.5
95.01349	0.9
95.04990	1.0
95.08605	4.3
97.02904	3.9
97.06537	0.5
98.20813	0.6
99.04472	0.7
101.02397	1.6
105.07049	2.0
107.08612	2.0
109.02917	0.9
109.10140	0.9
117.07071	0.6
119.08615	0.9
121.10159	2.0
121.11001	0.5
127.03949	1.4
131.08595	1.5
133.10155	1.3
135.11674	1.1
145.10115	0.9
146.46432	0.5
147.04454	0.6
243.08549	1.3
328.32092	0.6
335.25964	1.6
349.12692	1.0
365.15964	0.6
367.13699	3.1
409.14716	1.4
427.15829	9.4
453.21130	1.1
519.29370	5.2
565.22766	0.6
585.21472	1.5
645.24170	1.5
773.08679	0.5
923.46130	100.0
924.46509	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	925.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	1.4
69.03433	42.1
70.06590	1.0
70.89983	1.5
71.04994	1.9
72.08144	0.7
73.02956	0.9
78.92735	0.6
81.03423	20.9
83.01349	2.4
84.08121	1.2
85.02908	47.6
86.09678	0.7
95.04974	1.6
97.02898	40.1
99.04462	12.9
107.04965	19.1
109.02885	100.0
111.00748	1.1
115.03934	1.3
119.04960	8.7
120.08119	1.1
121.02868	8.3
123.04438	8.6
127.03922	57.8
131.04973	1.0
133.06526	1.6
139.03905	20.6
145.04967	14.4
145.06618	0.8
147.04437	5.2
149.02298	1.0
149.21135	0.6
151.03900	6.6
157.06531	1.7
163.03984	1.1
165.01826	1.3
169.04973	11.6
173.05934	0.6
179.03381	1.0
185.05977	1.2
187.06029	17.4
187.07674	1.2
189.05478	0.7
197.06113	0.7
205.07085	25.0
213.05423	1.6
215.03423	1.2
215.07031	1.9
227.03432	1.2
229.05014	1.5
231.06526	13.0
238.99597	0.7
243.06520	2.0
245.04456	1.2
245.05957	0.7
245.07999	4.5
255.06573	3.9
257.04559	3.1
257.08124	13.9
271.02402	6.4
273.07581	22.6
283.02502	1.0
283.06116	0.9
285.03979	12.6
287.05499	14.7
289.03421	7.0
297.07553	1.6
299.05460	9.5
303.05035	0.9
315.08762	0.9
329.06546	4.6
339.08777	1.0
391.08163	7.7
405.05972	1.2
423.07178	3.0
435.07132	2.9
435.13287	1.7
447.06839	1.0
530.98315	0.7
541.11340	1.2
559.12390	45.0
560.12683	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	3.6
68.16366	0.3
68.50092	0.3
69.03436	3.3
69.07100	0.8
69.21771	0.9
69.22173	2.4
71.01339	0.6
71.05004	1.4
73.02924	5.3
79.05495	2.1
81.03428	1.5
81.07056	4.4
83.98336	0.3
85.02422	0.7
85.02908	6.3
87.04482	0.5
88.02628	0.4
91.03961	3.6
91.05485	2.0
93.07053	2.7
95.04974	0.4
95.08626	1.8
97.02895	6.4
99.04463	0.8
101.02363	2.2
101.48087	0.3
103.03967	0.6
105.07023	1.1
107.08622	1.4
109.02911	1.0
109.10165	0.8
115.03949	0.9
119.08617	0.6
121.10200	1.0
123.11674	0.6
125.57888	0.3
127.03950	1.5
131.08588	0.7
133.10178	1.2
135.11725	0.8
147.11700	0.4
149.13257	0.4
151.11220	0.3
184.16154	0.4
185.04256	1.0
191.65364	0.3
203.05310	0.5
243.08400	2.2
243.88556	0.4
267.15747	1.0
323.18546	0.4
335.25900	0.5
347.09500	2.2
363.08673	0.4
365.10620	0.8
405.13696	5.9
439.71924	0.4
453.20981	0.6
485.23566	4.3
488.79388	0.3
519.29327	4.9
647.28888	3.5
681.34485	7.2
763.46057	1.6
925.51318	100.0
926.51715	6.6
936.16418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.0
67.23683	0.8
69.03433	3.8
71.05006	1.9
71.51828	1.3
73.02926	3.7
79.05501	2.1
80.97418	1.0
81.03427	1.4
81.07050	5.4
82.03469	1.0
83.08591	0.9
85.02914	5.8
91.03967	2.8
93.07069	2.7
94.20078	0.9
95.08600	1.4
97.02893	4.7
98.01830	0.8
99.04465	1.6
101.02394	1.9
105.07048	1.5
107.08590	0.9
121.10168	1.2
127.03916	1.6
133.10147	1.7
243.08411	1.8
267.15964	1.2
300.31674	0.9
347.09604	1.7
365.10275	1.2
405.13593	5.2
485.23636	5.9
519.28961	4.0
522.96289	0.9
647.28845	7.0
681.34747	3.6
763.46112	2.2
925.51349	100.0
926.51733	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	929.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	0.4
65.93603	0.1
66.04726	0.4
67.05500	0.2
70.71398	0.3
77.03973	0.1
79.05499	0.5
81.03436	0.3
81.07059	0.3
85.02907	0.3
91.05478	0.6
94.04193	2.4
97.02888	0.2
103.05492	0.3
105.07060	0.5
106.75072	0.1
107.04974	0.4
108.02097	0.3
109.02905	0.2
109.06493	0.2
115.05460	1.2
117.07034	1.0
122.03659	5.7
125.06023	0.2
127.03922	0.2
129.07007	0.1
131.04961	0.4
133.06494	0.2
135.04347	0.1
137.05988	100.0
138.06316	1.3
141.05453	0.2
143.04933	6.1
145.06490	0.5
146.03641	0.2
147.04428	0.1
147.08125	0.1
149.05928	0.1
151.03918	14.2
151.05003	1.0
152.04237	0.2
160.05203	0.2
161.06010	2.2
163.07553	0.3
165.05502	0.2
171.04456	0.2
172.05186	0.1
175.07565	2.5
177.05424	0.2
177.09093	0.1
184.05167	0.1
187.07573	0.3
189.06985	0.1
189.09157	0.2
190.07893	0.1
191.07066	0.2
191.08698	0.1
193.04945	0.1
199.07561	0.5
201.09157	0.4
202.07837	0.4
203.06953	1.2
203.08623	0.7
204.09396	0.1
205.06773	0.2
205.08592	2.1
205.10349	0.2
215.08693	0.1
217.06548	0.1
218.07240	0.1
219.08119	0.2
220.08896	0.3
221.06192	0.1
230.63036	0.1
231.08081	1.4
232.08865	0.3
233.09694	0.2
234.06874	0.2
235.07689	0.1
237.05550	0.2
237.09068	0.1
247.07478	0.5
248.08318	0.6
249.09106	0.2
250.09959	0.1
252.07903	0.1
258.06732	0.1
259.07523	0.9
260.08365	0.7
261.09113	0.3
262.09958	0.1
263.07114	0.2
263.10733	0.5
265.08673	0.3
267.10196	0.2
269.08218	0.1
275.07098	0.2
276.07834	0.5
277.08655	0.2
279.10062	0.2
284.10492	0.2
289.08688	0.3
291.10175	2.7
291.24506	0.1
292.10800	0.1
293.08276	0.2
293.11774	1.0
295.09558	0.1
297.11380	0.2
307.09760	0.1
308.10239	0.2
309.11313	0.2
321.11340	0.4
323.12802	2.1
324.13599	0.1
325.14304	0.7
326.11819	0.1
327.12296	6.5
328.12601	0.2
335.12906	0.2
339.12323	0.5
357.13348	52.5
358.13666	1.3
364.14911	0.1
571.18958	0.1
929.32385	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04712	0.8
67.05490	0.4
68.99770	0.4
69.03434	2.8
69.07053	0.4
70.06587	1.8
71.04975	0.6
72.08146	0.5
73.02921	0.5
79.05488	1.1
81.03418	3.2
81.07047	1.3
81.89359	0.3
84.08161	0.7
85.02908	5.1
86.09695	0.6
86.41438	0.3
87.00835	1.7
91.05482	3.0
92.41270	0.4
93.03419	0.5
93.07034	0.5
94.04192	5.7
95.04955	0.9
95.08633	0.6
97.02916	2.1
99.04469	0.6
103.05483	4.0
105.01871	0.8
105.04530	0.4
105.07039	1.9
107.04965	1.7
109.02891	2.7
109.06523	1.0
111.04489	0.6
115.05464	1.4
117.07030	0.7
119.04984	1.8
120.08125	0.4
121.06537	0.7
122.03660	9.8
127.03944	4.0
128.06230	0.9
129.06998	1.0
129.10219	0.6
131.04930	6.0
131.08630	0.5
133.06520	0.9
135.04382	0.5
137.05988	100.0
138.06334	0.9
141.06982	0.9
143.05011	0.5
143.08560	0.4
144.05698	0.5
145.04973	1.0
145.06503	0.8
146.03578	0.7
146.47644	0.4
147.04411	1.1
149.05980	2.1
151.03934	1.9
151.07558	5.4
152.06229	0.4
153.06982	1.0
155.08545	0.5
157.06473	0.7
158.07323	0.6
159.02930	0.8
159.08035	1.0
161.05974	7.9
163.03923	0.6
163.07553	6.1
165.07019	1.7
166.07845	0.5
167.07092	0.8
167.08525	0.5
169.06468	0.9
171.04553	0.4
171.08060	1.5
172.05243	0.5
173.09688	0.5
175.07579	3.0
177.05478	1.3
177.09088	0.5
179.07051	1.5
179.08499	0.5
181.06502	1.4
182.07265	0.4
183.07968	0.6
184.05254	0.5
185.05965	0.6
186.06786	0.6
187.07556	3.4
189.06990	0.4
189.09187	0.7
191.07088	0.5
193.04936	0.6
193.06548	0.7
194.07390	1.0
195.08130	1.0
197.05951	0.4
199.07590	2.3
200.08388	0.5
201.09123	2.6
202.07861	0.7
203.08676	0.9
205.06509	1.3
207.08118	0.9
209.06100	0.6
209.09831	0.4
210.06790	0.9
211.07532	2.0
213.09137	2.9
215.08682	0.5
215.10683	1.1
216.09320	0.6
217.08597	0.7
218.07256	0.6
219.08234	0.9
221.05936	1.4
222.06783	1.1
223.07588	0.6
224.08310	0.5
225.09111	3.0
226.09715	0.5
227.10609	0.6
229.10252	0.9
229.22060	0.5
231.08087	1.8
231.10092	0.6
232.08803	0.8
233.06152	0.4
233.09668	0.5
234.06876	0.5
235.07623	1.0
237.09219	1.5
238.09752	0.4
239.08710	0.4
239.10736	0.5
241.10327	0.5
243.08063	1.1
243.10332	0.9
245.09685	0.6
246.10440	0.7
247.07567	1.4
248.08302	0.9
249.09142	0.9
251.07036	1.0
251.10872	0.8
253.08502	2.0
255.10268	0.6
256.08990	0.4
257.09702	2.2
258.10352	0.7
259.07492	0.9
259.09753	0.8
260.08429	0.9
261.09140	1.6
262.09796	0.5
263.06769	0.5
263.10703	1.4
265.08524	2.9
267.10336	0.8
269.09622	1.4
271.07532	0.9
272.08340	0.6
273.08945	0.8
274.09979	1.0
275.07138	0.7
275.10681	1.0
276.07813	0.7
277.08661	1.5
277.12332	0.6
279.10461	0.8
281.08243	0.4
283.09711	1.5
284.08212	0.4
285.08987	1.1
285.11572	3.9
286.06357	0.4
286.09882	1.2
287.10550	0.8
288.07874	0.6
289.08694	1.5
289.12247	0.9
290.09537	0.8
291.10199	3.5
293.08173	0.4
293.11890	0.5
294.08798	0.4
295.09900	0.9
297.11365	6.1
299.10431	0.6
300.07889	0.5
301.08481	0.7
302.09457	1.3
303.10016	1.9
304.10840	0.6
305.11853	1.1
306.08856	0.5
307.09726	1.7
308.10434	0.6
309.11255	1.4
311.12766	1.4
313.04846	0.5
314.09427	1.1
315.10037	1.8
316.10962	0.8
317.08258	0.6
317.11710	3.3
318.12570	0.9
319.09897	0.8
319.13339	1.4
320.10593	0.4
321.11392	2.0
323.12854	4.7
325.14621	0.6
327.09952	0.6
329.11713	2.9
331.09790	0.9
331.13458	1.1
332.10660	0.5
333.11298	1.6
334.11945	0.6
335.12848	2.6
337.14551	1.2
345.11517	1.2
346.11990	1.3
347.12823	2.6
349.10388	0.7
349.14352	5.7
351.16068	2.3
357.13458	0.8
359.12805	1.4
361.14481	5.6
363.16055	1.3
365.13843	0.7
367.11133	0.4
367.15347	2.4
371.12936	0.5
373.14328	0.6
377.13855	1.0
379.15433	13.1
380.15292	0.5
385.14258	0.5
391.15567	0.9
394.12109	0.4
397.15945	0.4
403.15356	0.6
405.11292	0.7
407.14746	0.6
419.14969	1.1
421.16159	0.6
431.14215	0.7
443.14658	1.0
451.15341	0.9
455.14825	0.6
457.16327	0.8
463.15231	0.8
465.16943	0.4
467.14722	0.7
469.16675	0.7
471.18039	0.8
477.16989	0.8
480.15677	0.5
481.16321	1.0
483.18262	2.3
489.17542	0.4
493.16400	0.6
494.17947	0.5
495.18076	3.6
497.19684	1.8
501.19351	1.7
507.18140	1.3
509.19861	2.4
513.18927	1.6
515.20734	1.0
521.19318	1.3
525.19189	0.9
527.20715	1.6
539.20612	1.5
545.15698	0.4
575.16809	0.5
577.18335	0.6
579.19843	0.5
581.21295	0.6
590.18976	0.5
605.22028	0.7
609.19958	0.8
613.21979	0.5
617.21143	0.6
619.24329	0.5
621.24487	0.8
631.23358	1.0
633.24872	4.9
645.24713	2.6
647.26276	0.6
649.24786	0.5
651.25946	4.0
657.24805	0.6
663.25977	2.8
664.25848	0.4
675.25964	0.5
687.26154	0.5
761.24207	0.5
881.30823	0.9
893.29761	0.8
899.31305	0.7
911.30304	1.1
929.32587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86323	1.9
66.91108	2.6
67.05507	59.1
68.08090	2.3
69.03427	4.2
69.07069	16.3
71.51559	3.6
79.05064	4.6
79.05492	44.7
81.03414	15.8
81.07057	52.8
83.05007	3.4
83.08602	7.6
85.02904	4.4
85.06541	3.8
91.05491	31.4
93.03427	2.8
93.07047	35.7
95.01344	22.6
95.04988	12.1
95.08604	42.3
97.02895	6.0
97.06548	4.8
97.10198	5.9
103.05487	3.0
105.04475	2.8
105.07047	19.3
107.04965	21.2
107.08598	19.3
109.02935	4.1
109.06480	3.3
109.10136	15.9
112.28290	2.4
113.02395	3.7
115.05465	3.1
117.07001	13.0
119.08587	17.0
121.06500	10.6
121.10150	20.4
123.04431	8.0
123.08059	5.1
123.11683	2.8
125.02349	5.5
128.06201	3.3
129.07007	8.8
131.04916	4.7
131.08574	14.9
133.06445	2.3
133.10156	11.7
135.04440	6.6
135.08037	5.9
135.11736	11.6
137.09552	3.6
137.13084	2.5
137.24803	2.1
139.11180	3.7
141.01842	7.3
141.07021	8.4
143.08562	7.8
145.06509	4.4
145.10103	13.8
147.04424	9.4
147.11693	5.1
149.05984	2.4
149.13318	3.7
151.03949	11.4
155.08672	2.6
157.10117	4.3
159.08043	3.3
159.11671	13.4
161.05971	2.8
163.03883	4.3
163.11185	3.9
163.14764	3.4
169.10097	14.1
171.11662	9.5
173.09633	3.8
173.13310	6.4
175.03865	5.3
177.12761	3.8
179.03407	3.0
181.05020	2.5
181.10205	2.7
183.08144	2.5
183.11697	3.5
185.09564	3.8
187.11188	17.6
187.14838	3.7
193.12209	2.8
197.04333	2.3
199.11139	5.1
205.12265	7.5
217.12251	2.6
219.10176	2.3
223.13269	8.1
227.10709	6.4
229.14244	3.0
243.21011	4.2
245.11765	5.0
261.22174	10.4
271.13208	3.1
279.15942	7.1
292.36044	2.4
317.13910	2.9
335.15012	4.0
335.25818	100.0
337.12677	2.7
345.13333	9.4
363.14352	13.7
381.15610	12.7
419.16843	3.4
437.18265	11.8
455.19177	53.3
456.18649	2.6
473.20090	7.1
489.35727	2.7
525.50323	2.6
539.37396	9.2
557.38812	11.6
623.36151	4.6
641.37006	3.5
679.39355	4.3
697.39911	13.2
715.40448	40.2
733.41650	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	930.6147
Annotation	Unknow
Peak:m/z	Relative Intensity
66.24364	1.6
67.05509	40.4
67.25684	1.6
69.03401	1.9
69.06726	2.8
69.07070	27.5
69.82879	8.8
71.04987	1.9
71.08631	4.6
73.02903	3.8
76.14783	1.7
79.05490	29.8
80.78224	1.8
81.06590	3.3
81.07062	51.7
82.01326	1.8
83.08632	18.3
85.02901	16.1
85.06554	2.7
91.03957	9.4
91.05483	14.6
93.06490	2.5
93.07053	35.1
95.04980	1.8
95.08612	43.0
97.02903	10.3
97.06535	4.1
97.10152	9.1
105.07037	9.8
105.77380	1.8
107.08598	21.6
109.10160	19.6
111.08067	3.6
115.03950	1.7
117.07037	3.7
119.08563	6.4
121.10151	20.2
123.11711	6.2
125.09583	1.9
127.03901	4.3
130.21619	1.7
131.08582	7.3
133.10129	6.5
135.11699	12.8
137.13277	2.3
145.04945	7.4
145.10152	4.0
147.11693	5.4
149.13252	8.1
159.11714	3.0
161.13264	4.5
163.06035	5.9
163.14795	6.1
173.13306	3.7
187.14796	2.7
237.22203	3.5
243.21088	7.3
261.22141	28.5
309.24329	2.6
311.25818	100.0
317.24689	6.5
335.25806	76.8
337.27292	3.6
390.56241	1.8
417.01080	1.9
432.98663	2.0
497.43100	2.4
571.47168	43.7
589.48376	15.3
593.01691	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.6309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	1.7
65.91572	0.5
67.05509	30.9
67.05836	1.7
68.05820	0.9
69.03388	2.4
69.07073	10.7
69.81221	0.9
69.81626	1.9
70.94265	0.5
71.04961	1.2
71.08636	15.7
73.02918	3.5
75.19609	0.5
79.05497	20.6
81.03387	1.0
81.07061	36.7
83.04958	0.7
83.08633	8.3
85.02911	13.8
85.06496	1.5
85.10189	12.7
89.06006	0.9
91.03961	9.8
91.05481	11.2
93.07049	24.1
95.04922	1.0
95.08614	32.2
96.04447	0.7
97.02902	8.6
97.06461	2.3
97.10151	3.5
98.21457	1.1
99.04412	1.0
99.08072	0.8
99.11709	0.7
105.07040	6.3
107.08595	15.7
109.02789	0.8
109.10162	16.7
111.08101	1.0
111.11687	0.8
113.09665	0.8
117.07019	2.9
119.08586	6.4
121.09352	0.9
121.10149	13.1
123.08054	0.8
123.10989	0.6
123.11709	7.3
125.09630	0.9
127.03923	3.5
131.08580	4.7
133.10156	5.8
135.10744	0.8
135.11702	11.8
137.13277	3.0
145.04959	3.7
145.10147	5.6
147.11691	3.7
149.09558	0.8
149.13266	5.4
151.14769	1.1
159.11705	4.1
161.13255	3.2
163.06026	6.8
163.14867	3.8
173.13303	4.9
175.14787	1.5
177.16318	1.1
187.14778	2.5
191.14261	0.8
201.16383	1.1
215.17911	0.6
219.17520	0.7
222.07559	0.6
223.16911	0.6
233.22615	2.0
239.23843	2.6
243.18781	1.0
243.21100	10.7
244.21503	0.6
245.19162	0.5
257.24728	2.3
261.22159	38.5
279.23163	1.0
299.23596	0.7
313.27380	100.0
314.27783	2.7
317.24780	6.5
335.25824	76.1
336.26163	2.0
397.13290	0.6
405.26355	0.7
499.45166	1.1
573.48846	42.7
574.49182	2.3
591.49799	7.8
592.50311	0.6
779.17578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2663
Annotation	Kaempferol 3-[2Gal-(6'''-feruloylglucosyl)-robinobioside]
Peak:m/z	Relative Intensity
67.44116	0.1
68.99801	0.3
69.03432	1.2
70.06590	1.1
71.04993	4.3
71.28145	0.2
72.08134	0.1
73.02912	0.2
75.04483	0.3
78.04713	0.3
79.05501	0.1
81.03416	2.9
83.04964	0.4
84.08134	0.2
85.02905	6.5
85.22748	0.1
89.03915	3.8
91.05476	0.5
97.02905	0.7
99.04457	0.4
103.05402	0.2
105.03400	0.2
106.04164	0.3
109.02882	1.5
110.48835	0.1
111.00778	0.2
111.04472	0.3
117.03378	11.6
118.03699	0.2
119.04944	0.3
120.08074	0.1
121.02868	3.9
121.06530	0.1
127.03915	1.4
129.05466	1.1
133.02834	0.5
134.03644	0.7
135.04425	0.8
137.02341	0.5
145.02844	34.0
146.03203	0.5
147.04408	2.8
147.06467	0.2
147.55249	0.1
149.05981	4.4
153.01837	1.4
157.06480	0.2
161.05981	0.2
163.03911	0.4
165.01854	0.7
165.05560	0.1
171.02866	0.1
171.04362	0.1
177.05469	100.0
178.05798	1.6
179.08305	0.2
183.02965	0.3
185.05933	0.3
186.05511	0.5
195.06538	1.5
201.05447	0.3
213.05473	0.6
219.06453	0.1
231.06435	0.3
241.04926	0.8
245.04214	0.2
258.05212	0.3
259.05902	0.2
271.74649	0.1
287.05499	54.3
288.05798	1.3
299.05536	0.2
302.04294	0.2
317.06567	1.0
321.09711	5.3
329.06506	0.7
339.10764	8.6
340.11197	0.2
395.07828	0.1
625.15662	1.8
744.54425	0.1
884.04669	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	934.646
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	1.1
66.27961	0.9
67.05507	34.8
69.03410	2.4
69.07069	16.6
71.04984	1.2
71.08633	18.3
71.09291	0.9
71.36130	1.1
73.02912	3.6
79.05498	8.3
79.60855	1.0
81.07054	36.4
83.04964	1.9
83.08616	13.8
84.90312	0.8
85.02901	12.0
85.10185	11.4
89.06013	1.3
91.03968	8.5
91.05455	5.6
93.07040	8.6
95.08609	39.8
97.02905	7.8
97.06542	1.3
97.10175	7.3
99.04403	1.0
99.08092	1.4
105.07027	3.9
107.04951	2.6
107.08582	6.0
109.10155	20.1
111.11728	1.6
114.88671	0.8
119.08591	3.0
121.10143	6.6
123.11724	7.7
127.03910	4.6
133.10146	4.7
135.11682	2.3
137.13199	3.1
145.04935	4.6
147.11693	2.2
149.13251	2.3
152.97325	1.0
154.17497	0.9
161.13208	2.2
163.06035	4.1
163.11192	3.1
163.14809	1.3
165.16470	1.2
175.14838	2.7
209.97748	1.1
219.17380	1.5
239.23743	2.4
245.22681	5.5
257.24677	2.5
263.23746	9.4
267.48624	1.0
313.27368	100.0
314.27560	2.0
331.28488	1.3
337.27368	70.2
338.27713	2.3
471.23743	1.6
474.75751	1.0
520.93970	0.9
527.29681	1.2
575.50330	63.2
576.50574	2.2
581.22443	1.1
593.51001	2.4
928.41052	1.0
934.55237	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	937.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.1
67.05502	2.5
69.03410	4.2
70.06590	5.4
71.29418	3.2
71.64199	1.5
73.02928	1.8
79.05492	6.6
80.04980	2.3
81.03409	6.5
81.07056	2.2
84.08131	2.3
85.02908	9.2
85.67245	1.4
86.09721	2.7
90.95190	1.8
91.05469	6.1
93.05804	4.9
93.07037	4.8
94.06580	15.0
95.07357	2.7
96.08141	14.8
97.02908	3.8
103.05469	3.4
103.09358	1.5
105.07027	2.1
106.06548	6.7
107.04969	3.5
107.07347	5.1
108.04488	2.7
108.08123	32.2
109.02883	7.7
110.09683	22.0
116.04939	3.7
118.06559	4.9
120.04467	5.1
120.08114	24.4
122.06039	24.8
122.09689	14.6
124.07610	10.4
126.51431	1.7
127.03912	4.6
130.06451	1.7
134.06032	9.8
134.09659	2.0
136.06541	2.6
136.07579	49.1
137.05991	2.0
138.05498	1.8
138.09149	33.9
144.04459	8.2
144.08083	2.1
146.06010	21.7
147.04358	2.8
148.07585	24.2
150.05537	2.2
150.09189	20.0
152.07045	7.7
158.09666	1.7
160.03954	7.3
160.07605	5.2
162.05524	8.5
162.09102	3.2
164.07137	11.0
166.08649	40.2
167.07092	3.4
172.03940	33.9
172.07434	2.8
174.05519	15.5
174.09120	3.5
176.07082	14.4
177.05518	2.5
178.08604	4.2
180.10190	1.7
186.09178	1.9
187.06003	3.3
188.07031	6.2
190.04999	33.6
190.08682	3.0
192.06548	5.6
194.08223	3.3
196.09908	2.0
197.10680	2.6
198.11580	2.4
199.12323	3.2
200.07079	3.5
202.08675	5.0
204.06580	20.0
206.08189	2.8
209.10844	3.3
211.12277	5.2
212.09399	2.9
212.13052	2.4
213.10266	3.4
213.13736	1.6
214.08429	1.9
216.06514	2.7
216.10292	2.3
218.08073	4.5
220.09897	1.9
221.10696	2.4
223.12321	3.9
225.10245	7.9
225.13812	3.3
226.10881	3.2
227.11806	15.1
228.06627	2.3
232.09695	2.8
234.07524	2.1
234.11456	2.4
235.08748	1.7
235.12248	2.2
236.09181	10.8
237.10220	13.1
238.11011	8.6
239.08020	2.1
239.11792	16.9
240.12538	2.5
241.13239	4.3
247.08224	3.1
248.09364	2.7
249.10184	10.4
250.10976	6.1
251.08174	3.7
251.11823	22.4
252.08727	3.2
252.12593	5.2
253.09810	7.8
253.13275	7.8
254.10472	4.0
255.11308	10.6
257.12881	3.8
260.08899	1.7
261.10254	3.9
262.10931	6.0
263.08179	3.0
263.11774	12.6
264.08890	8.5
264.12408	3.7
265.09717	20.3
265.13303	7.4
266.10400	10.6
267.11273	25.2
267.14267	2.1
268.11920	2.8
269.12903	3.5
272.12036	1.5
273.12241	5.0
275.11829	4.5
276.08682	4.5
277.09698	12.3
277.13321	6.8
278.10449	10.1
279.08197	1.6
279.11267	36.3
280.08359	3.8
280.11981	9.7
281.09570	2.3
281.12817	14.7
283.10815	3.1
285.12323	6.1
287.05496	2.2
288.08832	2.0
289.09738	3.3
289.13016	1.9
290.10483	3.8
291.08240	2.1
291.11230	12.6
292.11984	4.1
293.09235	6.5
293.12836	8.1
294.09988	3.2
294.13406	2.0
295.10757	8.0
295.14178	1.9
296.11453	3.7
297.12430	16.7
299.13910	6.8
301.15845	1.9
302.10168	2.6
303.11194	5.1
304.11813	1.8
305.09113	6.3
305.12476	2.8
306.09973	3.5
307.10724	14.3
308.11386	2.3
309.12219	10.2
310.12854	3.0
311.10184	5.8
311.13940	9.4
313.15396	2.5
317.09088	2.7
317.12656	2.2
319.10843	14.2
319.14352	3.2
320.11447	2.2
321.12375	19.1
322.12994	4.6
323.10226	12.1
323.13849	5.6
324.10834	4.1
325.11829	20.2
327.13348	9.7
331.10776	3.3
333.12283	4.0
335.10187	3.3
335.13934	3.2
337.11700	6.0
338.12259	2.7
339.13400	5.9
349.11722	3.6
351.13269	3.9
355.12860	2.3
356.14081	2.4
357.15207	1.9
359.10080	2.6
361.11676	4.0
363.13324	4.9
365.11243	6.2
367.12900	5.8
369.14484	3.5
373.11661	2.7
375.13580	2.1
377.11285	5.3
379.12646	3.3
381.14532	3.4
383.16330	2.3
388.16418	2.3
389.11096	2.6
391.12939	3.9
395.12247	2.8
399.15298	3.6
400.16412	6.8
404.19861	2.2
407.11804	4.0
409.13959	2.3
411.15311	5.8
414.18481	2.8
423.15588	2.6
427.14636	2.4
429.16589	3.5
430.17545	3.3
432.19339	2.4
439.14972	2.1
441.16486	4.6
442.17633	4.2
449.13577	2.4
453.16446	4.0
467.14597	4.7
469.16144	2.1
471.17554	2.4
472.18542	3.8
481.15790	8.2
483.17545	4.4
491.14035	2.6
501.18698	2.2
545.72559	1.8
566.24902	2.8
590.24756	4.1
592.23291	5.5
593.23462	2.4
594.24371	5.2
604.23315	2.4
606.24939	8.2
618.24475	10.5
620.22314	10.6
634.23737	7.5
635.24780	2.0
636.24994	7.1
653.25787	2.4
662.23138	2.4
664.24518	2.7
680.24103	11.5
680.34058	2.0
694.25739	4.6
696.27118	2.8
712.26276	4.1
716.24017	2.9
720.26733	2.1
721.28491	2.6
724.27454	2.4
730.26904	7.8
736.25458	3.1
746.25848	9.9
747.25970	6.8
748.27063	8.8
755.29443	2.0
757.18597	2.7
757.30609	20.9
760.25500	2.2
764.26630	100.0
765.13690	3.2
765.27002	34.2
766.28125	43.1
778.27435	5.4
779.28198	5.2
780.30341	2.9
782.27765	55.9
783.28418	79.9
784.29340	34.9
789.32257	3.0
796.29224	43.9
797.30060	38.0
798.30981	10.3
805.29730	3.6
814.29675	7.2
815.30432	6.1
816.31799	9.5
821.29535	2.0
851.30432	5.3
887.32239	5.9
905.34576	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	937.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.3
69.03432	10.6
70.06591	8.3
71.04991	2.7
71.51328	2.7
79.05478	5.2
81.03419	13.4
82.06552	2.2
84.08147	4.8
85.02887	17.5
86.09737	2.2
89.03935	3.6
91.05490	8.9
93.05762	3.6
93.07053	6.9
94.06565	20.1
95.04943	2.5
95.07350	4.9
96.08145	16.5
97.02894	8.0
99.04482	3.5
101.13205	2.1
103.05450	4.2
105.06969	2.1
106.06555	5.8
107.04942	2.7
107.07314	4.5
108.04494	4.2
108.08114	40.7
109.02887	12.9
110.09683	25.9
116.04987	5.1
117.03366	2.7
118.06561	5.4
120.04496	8.0
120.08098	32.5
121.06559	2.3
122.06042	26.6
122.09660	12.8
123.06911	2.0
124.07594	14.2
127.03896	13.2
131.04922	2.8
132.04439	3.2
132.08107	5.1
134.06032	12.3
134.09657	2.8
136.07585	57.7
137.05975	3.7
138.05524	3.4
138.09155	44.3
144.04454	7.5
144.08076	3.4
145.02846	9.2
146.03174	3.5
146.06024	26.7
147.03371	2.4
147.04396	4.7
148.07547	30.1
150.05528	2.4
150.09158	25.1
151.03896	2.5
152.07098	11.9
158.05986	2.2
160.03943	7.8
160.07626	7.3
161.06029	2.3
162.05493	8.1
162.09210	5.0
164.07133	11.8
166.08643	52.3
167.07076	6.4
168.10268	2.4
170.09674	2.1
172.03932	38.4
172.07693	2.6
174.05540	15.3
176.07100	17.7
177.05461	21.1
178.05946	12.2
178.08612	2.8
179.06020	5.2
180.06432	2.4
181.04955	2.1
185.10704	3.6
186.05463	4.7
186.09152	2.6
187.06044	7.9
188.07071	5.3
190.05000	48.1
190.08595	2.9
192.06569	3.8
197.10796	3.3
198.11443	2.8
199.12325	2.7
200.07027	2.6
202.08676	5.6
204.06535	21.8
204.10146	2.1
206.08191	3.6
208.09718	2.5
210.09198	2.7
211.12341	6.1
212.07069	2.4
212.09370	3.1
213.10234	2.7
216.06628	2.4
218.08095	4.5
221.10797	3.2
223.12350	7.2
225.10292	11.4
226.08687	2.2
226.10994	4.6
227.11790	13.3
228.06595	2.6
229.13432	2.2
230.08142	3.1
232.09819	2.8
234.07571	3.3
234.11436	2.5
235.12227	2.7
236.09233	10.9
237.10245	16.1
238.10947	8.3
239.11807	16.8
239.49783	1.9
240.12576	3.8
241.13440	5.7
244.09679	2.4
245.12927	3.0
247.08087	8.3
249.10260	13.5
250.10977	8.4
251.08163	5.0
251.11841	26.0
252.08900	5.8
252.12546	7.9
253.09796	11.1
253.13373	8.4
254.10371	5.4
255.11278	11.7
257.12814	2.6
260.09033	2.7
261.10226	3.1
262.11057	6.2
263.08228	4.4
263.11823	18.3
264.08798	8.0
264.12558	7.1
265.09735	22.9
265.13354	8.4
266.10440	13.1
266.14203	3.0
267.11304	26.0
268.12103	3.8
269.12726	4.0
273.12387	4.2
275.11710	4.5
276.08612	4.1
277.09781	16.0
277.13312	5.9
278.10565	12.8
279.11288	35.2
280.08368	3.3
280.11935	8.8
281.09860	2.6
281.12878	15.1
283.10873	5.4
283.13992	2.3
285.12424	6.4
287.05338	10.0
288.05713	10.7
289.06143	5.2
289.09369	2.7
290.10510	4.4
291.11188	15.5
292.11981	4.9
293.09119	6.1
293.12769	6.8
294.09924	5.8
295.10867	10.5
296.11499	6.0
297.12396	19.1
298.13132	3.7
299.13901	8.1
303.11371	6.4
304.11850	2.2
305.09195	5.9
305.12714	4.0
306.09879	2.6
307.10809	17.6
308.11038	2.4
309.12375	10.3
311.10471	2.4
311.13824	10.7
317.09253	4.3
317.12708	4.5
318.09906	2.9
319.10800	14.8
321.12494	16.8
322.13293	3.5
323.10266	15.0
323.13892	6.0
324.11008	3.4
325.11893	29.8
327.13287	6.9
331.10785	5.3
333.12317	4.8
335.10199	5.3
335.13971	5.5
337.11914	11.6
339.13205	8.8
345.12109	3.0
347.10095	2.7
347.13940	3.0
349.11887	5.2
351.13297	5.9
353.15045	3.9
359.09875	2.3
361.11679	6.3
363.13272	5.3
365.11346	4.7
365.15533	2.9
367.12769	5.5
368.13663	3.0
369.14578	4.3
372.17050	4.0
373.11801	4.4
377.11050	3.3
379.13007	6.4
381.14658	5.4
393.14401	4.8
394.15109	2.4
395.12158	4.1
396.13110	3.0
397.13925	3.0
400.16394	8.0
407.12170	2.4
409.13879	4.2
411.15601	5.2
414.17819	3.5
421.13919	5.0
426.13919	2.6
429.16357	4.3
432.19281	3.1
435.15656	3.0
439.14890	4.2
440.15543	3.2
441.16745	4.2
446.20987	3.0
451.14795	2.8
453.16455	4.0
454.17694	2.2
463.14984	4.9
467.14523	6.4
469.15912	4.5
471.17615	5.6
472.18765	2.9
474.19299	2.7
481.16180	9.8
483.17606	2.3
485.15735	2.5
499.16422	2.3
556.20966	3.0
558.22314	3.4
563.16071	3.0
578.24799	3.1
592.22296	4.4
594.25183	4.5
606.24237	8.5
618.24152	12.3
620.22388	17.7
634.23822	9.3
636.25354	9.0
653.25488	4.6
662.23218	4.4
664.24567	2.9
666.26202	3.1
680.24841	12.8
688.25385	2.2
692.23889	4.6
694.26459	5.0
696.27753	2.6
700.24438	2.9
703.26746	2.2
712.26624	6.6
716.24530	4.7
721.28448	5.1
728.24695	4.4
730.26263	11.9
732.26984	2.6
736.27124	2.9
737.27515	2.5
738.28601	3.8
739.29016	3.9
746.25049	17.1
747.25977	8.3
748.26898	11.3
754.27606	3.4
757.30652	10.2
760.26166	3.6
764.26624	100.0
764.40662	4.7
765.27332	22.3
766.28088	36.1
767.28748	2.4
778.27417	5.8
779.28436	5.2
780.28998	2.4
782.27618	94.0
783.28412	38.1
784.29297	67.9
784.77045	2.4
785.29120	5.0
796.29150	43.8
797.29926	25.6
798.30707	16.6
805.30005	4.1
814.30225	18.7
815.30878	11.5
816.31915	15.6
821.30328	3.7
851.31177	4.8
887.33118	12.3
905.34326	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	937.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	2.7
68.88257	1.7
69.03426	8.7
70.06585	7.4
71.05020	2.5
71.51047	3.6
73.02901	2.0
79.05494	5.6
80.05029	3.0
81.03410	10.8
84.08146	3.3
85.02905	18.9
86.09701	2.6
89.03937	2.6
91.05492	7.6
93.05795	4.6
93.07054	7.8
94.06579	18.5
95.05000	2.2
95.07365	4.0
96.08133	15.2
97.02898	8.7
97.06534	3.6
99.04462	4.4
103.05467	5.6
105.07050	3.9
106.06555	8.2
107.04925	2.5
107.07346	7.1
108.04465	5.8
108.08112	37.2
109.02877	14.9
110.09675	23.5
110.88736	2.0
112.97723	2.0
116.05016	3.0
117.03396	2.5
118.03704	2.0
118.06545	5.0
120.04417	4.2
120.08111	25.9
121.06445	3.1
122.06043	25.9
122.09674	13.1
124.07609	13.3
125.79310	1.9
127.03902	14.6
129.06978	2.2
130.06516	2.5
131.04849	2.1
132.08124	4.2
133.02882	2.5
134.06020	11.5
136.07582	52.9
137.05965	8.7
138.05522	5.2
138.09131	40.2
144.04485	9.6
144.08118	2.0
145.02841	8.6
145.04930	2.9
146.03195	4.1
146.06006	28.6
147.04468	3.0
147.06715	2.6
148.07597	24.3
149.05980	3.1
150.05548	4.0
150.09148	14.2
151.03915	3.4
152.07079	9.3
154.08649	2.6
158.05983	2.7
160.03949	11.4
160.07574	7.8
162.05472	9.4
162.09125	3.8
163.03918	2.2
163.07498	2.2
164.07051	10.0
165.05495	2.2
166.08656	48.2
167.07083	5.7
169.04950	1.9
172.03935	36.7
172.07581	3.4
174.05470	18.0
174.09187	3.4
176.07085	13.5
177.05498	16.3
178.05946	11.0
179.05986	3.5
180.10173	2.4
186.05469	2.5
187.06078	10.4
188.07118	6.7
190.04999	39.1
190.08658	4.2
192.06555	5.5
192.10277	2.0
194.08121	4.6
197.10678	4.7
198.11525	2.7
199.12381	3.8
200.07018	4.3
202.05127	2.4
202.08600	3.7
204.06563	17.2
205.07164	2.4
206.08156	4.0
208.09727	2.2
209.10762	2.9
210.11517	2.6
211.12341	5.8
212.09554	2.5
213.10155	3.9
214.08632	2.6
216.06546	3.0
216.10115	2.4
218.08063	4.0
220.09895	2.0
221.10713	2.6
223.12424	5.5
224.07191	2.3
224.09438	3.8
225.10229	8.9
226.08617	2.2
226.10968	5.0
227.11807	15.4
228.06526	2.6
229.09485	2.1
230.08141	2.7
232.09801	2.3
236.09254	10.9
237.10281	13.1
238.10994	6.4
239.08157	2.4
239.11789	16.0
240.12624	5.1
241.13405	4.3
242.08299	2.8
245.12849	4.2
246.07568	3.7
247.08090	9.0
249.10246	15.6
250.10965	9.0
251.08081	2.9
251.11876	21.7
252.08862	4.8
252.12511	4.5
253.09741	8.5
253.13391	5.9
254.10500	3.4
255.11253	13.7
258.07861	2.6
261.10187	5.9
262.11163	4.2
263.08228	5.7
263.11850	18.8
264.08847	9.1
264.12491	5.7
265.09735	26.3
265.13348	8.2
266.10461	14.8
266.14252	2.0
267.11310	24.2
268.11948	2.7
269.12802	4.5
273.12387	3.7
275.11728	5.4
276.08737	2.8
276.12579	2.9
277.09698	14.6
277.13354	7.7
278.10406	11.8
279.11292	30.2
280.08405	3.8
280.11951	7.5
281.09573	4.0
281.12833	13.4
282.09912	3.0
283.10797	8.1
283.14163	3.0
285.12329	8.1
287.05417	10.9
288.05774	6.1
288.08707	3.8
289.06165	5.6
289.09860	5.1
289.13260	4.6
290.10312	3.3
291.07999	2.3
291.11212	12.3
292.12076	7.3
293.09235	9.3
293.12845	10.6
293.15771	2.3
294.09738	5.0
295.10840	9.0
295.14334	3.8
296.11481	5.7
297.12366	21.2
297.95786	2.3
299.14047	9.8
303.11319	8.1
305.09216	10.7
305.12808	4.7
306.10126	4.9
307.10867	12.1
308.11304	2.7
309.12375	14.2
310.12964	2.5
311.10547	4.3
311.13852	13.6
317.09143	2.8
318.09848	4.9
319.10779	16.0
320.11206	2.2
321.12427	20.7
322.13086	4.5
323.10281	10.1
323.13589	4.4
324.10962	7.0
325.11841	29.9
327.13449	7.8
328.42322	2.4
331.10724	4.0
333.12387	4.8
335.10092	3.8
335.13879	3.7
337.11774	8.5
338.12518	3.2
339.13287	9.0
345.12418	3.3
347.09900	4.1
347.13852	4.4
349.11749	6.1
351.13184	4.9
355.12988	2.9
357.14423	2.5
359.16113	2.8
361.12192	3.1
363.13461	4.6
365.11163	4.7
367.12759	3.5
369.14706	2.7
372.17044	3.4
373.11765	3.6
377.11234	6.0
379.12759	5.7
387.13669	2.1
397.13708	2.8
400.16504	4.5
402.18356	3.3
403.12909	2.5
405.14441	3.4
407.12061	3.9
409.13831	3.3
411.15491	4.0
414.18036	3.2
422.14572	2.3
425.12909	2.7
427.14667	3.7
429.16452	7.8
430.17267	3.5
439.14932	5.3
441.16513	5.0
449.13281	2.4
453.16516	4.0
459.17474	3.2
467.14639	6.0
469.15692	3.1
471.17398	4.9
472.18521	3.7
474.20062	3.6
481.16055	8.9
592.23029	6.8
594.24255	4.6
606.24268	5.5
607.24963	2.4
618.24683	10.7
620.22144	13.3
621.23157	4.6
622.23431	3.9
634.24316	9.3
635.24158	2.8
636.25177	6.8
653.25629	3.0
656.23193	2.3
662.23431	2.3
664.24310	3.0
680.24274	13.8
682.23993	2.8
694.25519	5.4
700.24390	4.0
712.26599	3.7
716.24469	5.3
720.27374	2.9
722.26868	2.5
728.23901	4.3
730.26440	9.6
736.26367	4.1
738.28333	3.9
739.29327	5.2
746.25330	17.7
747.26086	5.0
748.27728	9.3
757.30945	11.7
760.26239	2.9
762.28131	3.8
764.26611	96.0
765.27222	25.0
766.28174	30.1
767.27765	3.8
778.27325	7.1
779.29114	4.9
780.29639	2.9
782.27710	100.0
783.28308	29.0
784.29272	62.4
785.28918	3.7
796.15845	2.7
796.29181	42.4
797.30023	22.0
798.30621	14.0
805.30823	2.9
814.30524	18.4
815.30115	7.6
816.31726	23.2
821.30011	3.7
851.30566	5.9
887.33362	12.9
905.34784	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	937.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.7
66.08804	1.5
67.05507	2.4
69.03442	2.1
70.06594	2.7
70.89147	3.1
71.04970	2.4
76.60622	1.5
79.05481	1.8
80.05026	1.6
81.03410	6.2
82.06588	1.6
84.61481	1.5
85.02917	5.9
89.03872	1.9
91.05475	5.8
93.05792	2.6
93.07035	4.7
94.06582	12.4
95.07344	4.4
96.08147	11.9
97.02901	1.6
98.20888	1.8
106.06540	5.3
107.07346	3.5
108.04498	2.0
108.08127	23.6
109.02912	3.9
110.09700	18.4
111.04430	2.2
116.04971	2.5
118.06552	2.6
119.04972	2.1
120.04441	4.1
120.08107	17.0
122.06034	19.2
122.09666	9.6
124.07600	5.8
127.03931	3.9
132.04440	2.5
132.08151	2.6
134.06023	5.7
134.09698	1.9
136.07599	36.2
137.05981	3.1
138.05515	4.8
138.09155	26.7
143.04889	1.4
144.04425	7.6
146.06032	16.8
146.09665	2.0
147.04376	2.6
148.07568	19.2
150.05505	1.6
150.09158	8.3
152.07088	6.5
154.48364	1.5
160.03960	4.1
160.07581	3.3
162.04285	1.5
162.05487	7.3
162.09180	2.3
164.07098	6.6
166.08662	33.2
167.07036	3.0
169.07904	1.6
172.03954	25.1
172.07596	3.2
174.05521	11.0
174.09177	2.0
176.07097	9.1
177.05490	3.5
180.10114	1.6
182.47705	1.5
188.07120	4.1
190.05019	31.6
190.08629	2.7
192.06567	2.5
194.08089	3.1
197.10780	2.0
202.08646	4.5
204.06596	14.5
206.08182	3.4
208.09689	2.1
210.11429	2.1
211.12300	2.2
212.09436	2.8
213.10362	1.9
214.08739	1.6
216.06517	3.2
218.08162	3.1
220.09895	1.7
223.08664	1.9
223.12271	3.0
224.09315	1.7
225.10309	6.6
226.10992	4.2
227.11766	6.8
229.13385	1.5
230.08162	2.5
232.09691	3.1
234.07544	2.1
236.09282	8.1
237.10289	8.8
238.10979	6.3
239.11890	9.8
240.12668	2.2
241.13402	2.9
245.12935	2.6
248.09494	1.8
249.10208	9.1
250.10931	7.6
251.07994	2.1
251.11865	14.4
252.08902	2.3
252.12520	3.5
253.09689	6.4
253.13481	4.0
254.10217	2.0
255.11348	7.9
257.12964	1.7
261.10190	4.8
262.11050	4.8
263.09177	1.8
263.11862	14.3
264.08881	5.3
264.12476	3.3
265.09735	12.6
265.13348	5.0
266.10480	6.5
266.14227	2.1
267.11356	12.5
269.12830	2.6
273.12384	4.0
275.11688	4.6
276.08759	4.0
277.09695	9.2
277.13266	3.5
278.10464	8.2
279.11288	22.9
280.08170	4.8
280.11826	5.4
281.09570	3.1
281.12823	7.8
283.10760	2.8
285.12378	4.8
288.09033	1.7
289.09866	3.5
289.13031	1.7
291.11374	9.3
292.11981	3.5
293.09201	4.9
293.12906	8.2
294.09717	1.9
295.10840	6.4
296.11441	3.1
297.12463	9.9
298.09534	1.8
299.14014	4.4
301.09811	1.8
303.07834	1.6
303.11276	3.8
305.09528	7.3
305.12582	3.0
306.09973	2.3
307.10788	9.7
307.13861	1.8
308.11307	1.9
309.12497	8.9
311.13919	6.5
315.11130	2.1
317.09409	2.6
317.12878	2.5
319.10742	10.6
320.10934	2.1
321.12363	9.5
322.13165	2.0
323.10278	8.0
323.13916	3.8
325.11795	16.5
327.13522	4.4
331.10672	2.6
333.12192	3.9
335.10303	3.2
337.11853	5.2
339.13388	4.4
343.10684	2.1
347.10300	2.9
348.10818	1.9
349.11789	4.9
351.13458	5.0
357.14200	2.6
361.11725	2.6
363.13940	2.4
365.11423	5.0
367.12781	2.4
369.14459	2.5
377.10977	2.1
379.12762	3.8
381.14374	2.8
389.11337	2.0
391.12848	3.1
393.14432	1.8
395.12173	3.1
399.15466	2.6
400.16672	3.6
404.19690	2.0
405.14380	2.9
407.12155	2.9
409.13931	2.7
411.15729	2.2
415.13528	2.6
427.14868	2.5
439.15402	2.6
441.16678	4.3
449.13177	2.2
451.14957	3.8
453.16470	2.8
458.16986	2.3
463.15372	2.9
465.16650	2.1
467.14511	4.3
469.15808	2.7
471.17548	3.6
472.18686	1.8
481.15997	5.2
483.17960	2.2
527.15302	1.9
589.21863	1.6
590.24994	1.8
592.22638	4.3
594.24347	2.9
606.24542	4.7
608.25287	2.4
617.98798	1.7
618.24097	5.5
620.22723	7.1
621.22839	2.1
634.23743	6.4
636.25391	6.4
652.24219	2.3
653.25092	2.3
666.25812	2.4
680.24500	10.7
692.24286	3.1
712.26331	3.4
716.24414	2.7
728.24261	2.4
730.26636	3.6
736.26270	5.3
746.15363	1.7
746.25812	17.8
747.25580	3.6
748.27472	3.4
755.28821	2.3
757.30664	8.3
760.26605	4.2
764.26672	100.0
765.27448	17.6
766.28137	13.8
778.27948	10.9
779.28729	2.1
780.30127	1.9
782.27795	54.3
783.28461	24.9
784.17023	2.4
784.29413	23.8
796.29395	43.9
797.30341	12.5
798.30060	7.1
814.30231	9.9
815.31097	3.0
816.31006	6.4
851.31097	2.4
905.34644	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	937.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	0.2
67.05519	1.6
69.03439	3.0
69.07066	0.7
69.92544	0.4
69.92954	0.6
71.01358	0.4
71.05018	0.4
71.08644	0.7
73.02923	3.2
79.05477	1.2
81.03431	1.6
81.07060	2.1
83.04973	0.3
83.08625	0.5
85.02907	5.2
85.10202	0.7
87.04503	0.4
91.03962	3.0
91.05510	0.6
93.07056	1.4
95.08614	2.1
97.02897	4.5
97.10194	0.4
99.04477	0.9
101.02354	1.4
103.03929	0.5
105.07054	0.4
107.08585	0.6
109.02902	0.8
109.10179	0.6
115.03957	0.3
119.08524	0.3
121.10160	0.6
123.11726	0.3
127.03935	1.4
135.11723	0.4
142.56978	0.2
145.04953	0.5
185.04245	1.2
203.05310	0.7
220.69630	0.2
239.71167	0.2
243.08394	2.0
259.08420	0.2
275.07895	0.2
313.27383	0.4
318.25150	0.2
325.70862	0.2
335.26053	0.5
339.97223	0.3
347.09488	1.7
363.09094	0.5
365.10760	0.9
405.13684	4.9
405.18552	0.3
497.30966	2.8
519.29211	4.7
659.36206	2.7
681.34650	5.9
775.53137	1.3
937.58643	100.0
938.58826	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	938.402
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.8
67.05501	1.4
68.99780	1.4
69.03435	6.2
69.07056	2.1
69.53361	3.0
71.01364	0.6
71.04604	0.7
71.04996	11.7
73.02916	0.9
73.06559	4.1
79.05501	6.7
81.02985	0.8
81.03420	9.5
81.07059	22.7
83.04972	1.0
83.08559	0.4
85.02910	8.9
85.31338	0.5
87.00832	1.9
91.05506	3.1
93.03340	0.7
93.07047	15.8
94.04152	0.8
94.27225	0.5
95.04967	0.6
95.08605	2.7
97.02889	7.9
97.06526	1.7
99.04451	2.4
104.08846	0.5
105.01871	1.7
105.06995	1.0
107.04958	1.2
107.08604	11.7
109.02891	11.9
109.06503	0.7
109.10163	2.2
111.04458	0.9
115.03953	0.5
115.05462	2.0
117.07013	1.2
119.08609	0.8
122.03654	1.3
123.04484	0.5
125.02357	0.6
125.05985	0.8
127.02982	0.8
127.03925	15.1
129.01862	1.4
129.07013	1.3
131.04932	1.8
135.11697	23.1
137.05984	33.8
140.88004	0.5
141.01797	2.6
143.04932	3.7
145.04947	2.7
145.06537	0.8
147.02893	1.1
149.06027	0.5
151.03934	2.5
153.05470	0.6
153.12752	100.0
154.13058	1.7
157.06528	2.0
159.02873	1.1
159.04413	0.5
160.05215	5.5
161.05995	1.1
163.03918	0.7
163.07561	0.8
165.05482	0.5
167.07025	0.6
172.05316	0.7
174.06726	0.6
175.07558	36.6
176.08052	0.9
179.06973	0.7
179.75089	0.5
187.05896	0.8
187.07553	12.7
189.09122	3.1
205.08604	9.8
205.10371	0.9
213.03952	2.5
217.04907	0.6
217.08670	1.7
219.08081	0.7
219.10062	0.9
231.04970	2.6
235.06003	0.8
235.09648	11.6
248.08224	0.7
249.06113	0.7
255.06804	0.7
261.09070	0.5
263.10669	0.8
271.09692	2.0
273.06021	1.4
279.10254	1.0
291.10059	2.5
311.12747	2.5
323.12753	4.2
339.07153	1.3
339.12289	0.7
341.13895	8.1
357.08908	2.3
357.12912	2.4
375.09174	3.1
554.63153	0.5
715.21918	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	940.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	0.2
70.06606	0.1
70.72816	0.2
70.73182	0.2
71.67916	0.1
77.03921	0.3
79.05489	1.1
81.03419	0.2
85.02895	1.1
86.12091	0.1
91.03935	0.1
91.05482	1.7
95.04970	0.8
97.02889	0.4
105.04516	0.7
107.04956	100.0
108.05289	1.1
109.02883	0.2
115.05449	0.1
117.07021	0.6
119.04930	0.2
127.03928	0.5
145.05083	0.6
145.06480	1.5
155.06017	0.2
161.06067	0.1
163.06041	0.3
171.04440	0.1
179.07040	0.9
189.05475	1.1
207.06549	0.3
213.09077	1.8
213.10942	0.1
225.07611	1.1
252.49876	0.1
293.04327	0.1
298.94699	0.1
325.11319	0.7
331.11725	0.4
814.22620	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	940.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50298	2.0
67.05508	83.4
69.03427	4.0
69.07069	21.8
69.35548	7.5
69.35969	6.8
71.04987	4.2
71.08626	1.6
73.02927	6.9
77.03916	2.0
79.05497	61.1
79.05967	3.2
81.03406	2.5
81.07059	100.0
83.05005	2.5
83.08630	11.6
85.02905	24.0
85.06541	2.4
91.03951	15.8
91.05486	35.9
93.07047	70.0
95.04974	5.0
95.08612	72.7
97.02886	16.4
97.06532	3.7
97.10151	6.6
99.04491	2.6
105.04520	2.4
105.07041	33.2
107.08598	46.1
109.10168	33.9
117.06998	10.6
119.08591	27.7
121.10149	32.9
123.08066	2.9
123.11745	9.7
125.09624	2.2
127.03927	7.3
129.06966	3.4
131.08571	23.9
133.10136	25.3
135.11697	25.6
137.09631	2.4
137.13232	4.3
139.11169	1.8
143.08565	3.4
144.35420	1.7
145.04971	10.2
145.10130	13.7
145.38034	2.0
147.11678	20.9
149.13295	13.2
157.10225	2.1
159.11720	15.5
159.59819	1.6
161.13206	14.3
163.06061	8.7
163.14859	6.7
171.11682	5.6
173.13278	11.7
175.14792	4.6
185.13277	4.4
187.14856	5.6
191.11073	1.8
201.16382	4.1
227.17978	3.7
229.19548	4.7
243.20941	4.9
245.19081	6.0
247.20570	14.3
259.20618	7.8
261.22116	17.9
279.23428	2.3
303.23199	2.7
317.24612	3.3
319.22708	5.4
321.24255	82.6
323.25931	11.4
333.24280	5.5
335.25824	75.8
337.27454	10.1
427.56897	1.7
507.41782	7.5
525.42450	2.3
581.45764	30.7
599.46759	37.5
836.84137	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	944.318
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	11.3
70.06605	1.7
70.42852	0.8
71.04989	3.6
71.51314	1.2
71.89112	0.9
79.05508	1.1
81.03423	35.0
84.80911	0.8
85.02911	15.4
86.09718	0.9
91.05485	100.0
95.04971	1.4
97.02892	11.3
99.04460	10.2
105.07027	2.2
107.04964	21.3
109.02886	37.3
111.04449	1.5
115.03940	1.8
115.05445	6.0
117.07040	7.3
119.04990	1.8
123.04423	1.1
127.03922	80.7
133.06493	5.9
137.05956	1.9
143.04945	5.9
145.04961	14.7
145.06520	4.3
148.07553	1.3
161.05991	51.5
162.06203	1.0
169.04970	12.9
171.04419	25.5
179.07045	16.9
187.06020	10.2
189.05460	2.9
196.53337	0.9
199.07552	1.4
205.05014	1.8
205.06963	1.3
207.06441	0.9
217.04951	1.6
221.08086	5.8
229.07091	8.6
231.06610	2.5
231.68402	0.8
233.08017	2.0
235.05939	2.1
247.08189	5.0
249.07538	5.5
250.08070	0.8
253.07097	2.0
255.21390	0.8
267.08594	2.7
269.08032	2.1
271.08179	2.5
287.09048	5.8
305.10229	12.4
313.15399	2.7
314.15683	1.8
315.08606	4.6
323.11337	2.9
333.09668	5.5
347.11359	5.2
351.10596	1.2
357.09903	1.4
365.12366	5.2
375.10803	7.5
393.11887	11.2
407.13290	3.3
411.12677	1.5
413.12323	1.2
435.12943	6.5
441.11707	1.4
453.13956	7.5
459.12802	1.9
477.13739	3.9
483.13312	1.1
495.14777	1.3
501.13562	2.7
519.14954	6.2
537.16089	17.0
561.15936	2.1
579.17169	6.4
597.17773	5.6
784.27716	1.0
830.45886	1.1
953.28967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01868	0.9
68.99801	0.4
69.03432	12.2
70.76217	0.6
71.01369	0.3
71.05007	2.0
71.30257	0.2
73.02920	0.6
76.31003	0.2
77.03886	0.3
77.45168	0.2
79.05501	0.3
81.03420	25.0
81.94403	0.2
83.01331	0.6
83.04984	0.4
85.02432	0.5
85.02914	6.3
85.11867	0.2
86.29168	0.2
87.04495	0.3
91.05483	100.0
92.05817	1.3
94.30466	0.2
95.04971	0.6
97.02894	11.9
99.04457	5.9
103.05443	0.4
105.03401	1.2
105.07029	2.1
107.04963	10.3
108.27053	0.2
109.02882	30.7
111.04453	1.1
115.03929	1.4
115.05459	6.0
117.07018	5.3
119.04963	2.3
121.02902	0.5
121.06563	0.3
123.04421	0.6
125.02382	1.7
126.03191	0.2
127.03921	51.0
128.04260	0.4
131.04912	0.7
132.68414	0.2
133.06494	7.6
137.05966	0.4
139.03915	0.7
141.06973	0.4
143.04930	3.1
144.74593	0.2
145.04973	3.9
145.06496	2.9
147.04428	0.8
151.03848	0.4
152.06207	0.3
153.06923	0.5
155.08484	0.4
157.06497	0.4
159.04344	0.3
161.05984	66.6
162.06357	1.2
167.08565	0.4
169.05002	3.0
169.06424	0.5
171.04417	13.7
171.08043	0.5
173.04453	0.5
175.03880	0.4
179.07037	37.0
180.07338	0.9
181.06508	0.6
185.06009	0.3
187.06026	6.0
187.07671	0.4
189.05473	3.7
193.04961	0.4
197.05983	0.3
199.07590	2.0
203.06844	0.3
205.05069	0.6
205.06854	0.5
207.06569	1.2
209.06052	0.5
215.07019	0.7
217.05006	0.9
221.08081	4.1
223.07562	1.2
229.07060	2.9
231.06590	0.3
233.08104	1.8
235.06003	1.7
243.10208	1.2
247.08180	2.4
249.07484	1.3
253.07077	1.7
257.08078	0.4
263.09213	0.5
269.08093	3.3
271.08142	1.1
287.09174	5.5
297.07407	0.4
305.10217	13.7
306.10611	0.5
315.08646	4.1
323.11301	4.3
333.09698	5.1
347.11194	3.1
351.10809	1.1
361.08917	0.3
365.12378	2.4
375.10745	3.9
379.10223	1.0
393.11789	2.1
407.13309	0.8
413.12347	0.7
431.13168	0.9
435.12891	2.3
441.11862	1.7
459.13031	3.4
477.07428	0.6
477.13956	9.8
501.13651	0.9
519.14990	3.0
520.15833	0.3
521.12567	0.3
537.16211	1.3
561.15472	0.7
579.17175	3.5
597.18188	1.9
951.61749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	944.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03431	11.0
71.04990	2.3
71.51093	0.5
71.51480	0.7
76.33936	0.5
79.05499	0.9
81.03419	37.4
83.01342	0.9
83.04978	0.8
84.52573	0.5
85.02908	18.3
91.05482	100.0
92.05804	1.2
95.04987	0.9
97.02896	12.2
99.04453	9.0
103.05495	0.7
105.03400	1.0
105.07021	1.7
107.04961	15.8
109.02883	38.9
111.04447	1.3
113.02410	1.0
115.03926	1.7
115.05442	6.8
117.07028	8.5
119.04970	1.8
121.02860	0.7
123.04411	0.6
125.02322	1.6
127.03920	84.2
128.04269	1.2
129.06990	1.0
133.06490	6.2
137.06000	0.8
139.03922	1.5
141.05507	0.8
141.94708	0.5
143.04936	6.4
145.04971	13.7
145.06349	4.1
147.04404	0.6
151.03911	1.0
157.06593	0.7
161.05988	59.2
162.06322	0.6
165.05582	0.5
169.04965	13.3
169.06380	1.0
171.04411	25.9
179.05470	0.9
179.07045	16.7
181.05006	1.0
181.06447	1.0
187.06021	10.8
189.05463	3.7
189.16264	0.5
193.04918	0.7
195.08163	0.7
199.07555	1.2
205.04945	0.8
207.06525	1.1
217.04904	1.4
221.08112	4.7
223.07726	0.7
229.07088	8.3
231.06580	2.7
232.10564	0.5
233.08089	1.6
235.06017	1.5
243.10049	0.8
247.08168	5.6
249.07584	6.3
253.07114	2.6
267.08612	2.2
269.08081	2.2
271.08075	2.0
287.09100	5.8
289.09113	1.4
295.08029	0.8
296.61224	0.6
299.13858	1.0
305.10190	10.5
313.09088	0.8
315.08624	4.6
323.11356	2.4
333.09711	5.6
347.11191	5.5
348.11646	0.5
357.09662	1.1
365.12384	4.7
375.10690	8.2
381.30676	0.6
393.11835	10.8
407.13416	3.4
411.12949	1.2
413.12115	1.2
431.13226	1.8
435.12869	8.7
441.11771	2.1
453.13971	7.1
459.12793	2.5
464.83093	0.6
477.14212	4.0
478.14096	0.7
483.13028	0.6
491.15170	0.7
495.14319	0.9
501.14005	2.9
519.15027	7.3
537.16046	16.2
561.15881	2.1
579.17169	7.1
580.17114	0.8
597.18256	4.7
605.11542	0.5
657.70056	0.5
894.72394	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	0.2
71.42616	0.1
72.48456	0.1
77.03931	0.5
79.05501	1.7
81.03423	11.5
82.64361	0.1
83.01371	0.2
85.02912	0.5
91.04645	0.2
91.05488	0.7
93.54233	0.1
95.04965	1.7
97.02898	7.0
98.21526	0.3
99.04468	0.7
105.04523	0.8
107.04964	100.0
108.05309	1.3
109.02886	75.8
110.03245	0.7
117.06948	0.2
119.04934	0.6
122.80933	0.1
127.03924	23.2
128.04233	0.2
137.06000	0.4
139.02811	0.2
139.03911	3.5
145.04994	0.2
145.06354	0.2
151.03899	0.2
161.05907	0.2
165.21246	0.1
169.04974	34.9
170.05339	0.5
187.06047	0.1
211.06039	5.0
212.06351	0.2
213.09126	1.5
271.08145	5.9
331.10254	10.4
332.10632	0.3
453.99078	0.2
532.84027	0.2
537.16034	1.3
693.35950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6464
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	35.1
69.03437	2.1
69.07076	12.6
71.08630	21.4
73.02923	2.9
77.12737	1.3
79.05499	27.1
81.06588	2.6
81.07059	43.4
83.08628	13.0
85.02913	14.7
85.06540	2.0
85.10181	14.8
89.06024	1.6
91.03973	10.5
91.05486	12.5
93.07047	29.2
95.08611	42.1
97.02890	10.0
97.06521	1.8
97.10184	7.6
99.08070	1.4
105.07050	8.3
107.08591	14.2
109.10151	19.4
111.11722	2.5
114.31643	1.4
117.07021	3.2
119.08576	8.1
121.10136	16.0
123.11715	8.3
127.03917	4.3
131.08562	9.3
133.10141	5.4
135.11699	11.0
137.13258	2.7
145.04974	5.9
145.10150	6.6
147.11700	3.4
149.13245	8.5
159.11685	3.9
161.13237	3.8
163.06041	4.5
163.14847	3.5
166.03899	1.3
166.66336	1.4
173.13234	4.4
175.14847	2.5
187.14935	2.0
233.22772	2.4
243.21124	10.1
253.25371	3.1
261.22156	39.6
271.26318	2.4
317.24768	5.8
322.59109	1.4
327.28940	100.0
328.29413	2.9
335.25824	85.4
336.26031	2.0
587.50385	41.6
588.50348	1.8
599.31787	1.5
605.51587	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	948.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	0.3
69.03424	0.3
70.06591	0.3
71.04977	0.4
71.13621	0.2
71.51088	0.2
77.03916	0.3
79.05472	1.0
81.03417	10.2
83.01351	0.3
85.02904	0.8
91.05480	54.1
92.05811	0.5
95.04958	0.7
96.31312	0.2
97.02893	5.0
97.03516	0.3
99.04443	1.5
99.96815	0.2
103.03931	0.2
103.05463	0.3
105.03394	1.0
105.04491	0.3
105.07039	1.9
107.04956	29.3
108.05273	0.4
109.02879	20.9
110.03253	0.2
115.05452	4.2
117.07017	3.7
119.04932	1.6
125.91058	0.2
127.03918	29.5
128.04245	0.3
129.07059	0.3
131.04915	0.3
133.06497	9.2
139.03905	0.6
141.05449	0.3
143.04924	2.5
145.04895	0.3
145.06541	0.9
147.04404	0.3
155.08516	0.3
157.06476	0.2
159.04451	0.3
161.05978	100.0
162.06326	1.8
167.08620	0.2
169.04970	9.2
171.04396	6.0
171.08061	0.3
179.07034	17.5
180.07333	0.2
181.06491	0.2
187.06059	0.5
189.05478	3.5
195.08095	0.3
197.05913	0.3
199.07605	0.5
205.04970	0.2
207.06517	0.6
209.06201	0.2
211.06000	0.9
213.09097	0.2
218.25015	0.2
221.08159	0.4
223.07565	0.3
229.07065	4.6
231.06477	0.4
239.06937	0.4
241.08586	0.2
249.07588	14.6
250.07945	0.4
251.07025	0.4
269.08063	1.2
287.09146	9.6
288.09738	0.3
289.09186	2.4
297.07587	0.4
305.10049	0.7
315.08618	21.1
316.08884	0.7
333.09872	0.9
346.25073	0.2
347.11200	1.1
357.09573	0.4
375.10730	4.7
407.13293	0.5
407.22003	0.2
435.12970	1.4
477.14178	0.4
495.15002	8.8
496.15216	0.3
692.06653	0.2
701.20691	2.1
702.20105	0.3
709.21881	0.2
718.30646	0.2
796.49506	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	57.3
69.03441	4.3
69.07066	14.5
79.05495	56.9
81.03417	10.7
81.07057	59.7
83.04987	3.9
83.08616	9.8
85.02943	2.5
86.13982	2.3
91.05483	40.3
93.07050	46.2
95.01341	20.9
95.04966	8.7
95.08614	44.4
97.02896	4.8
97.06553	3.4
97.10153	19.1
98.21560	3.9
105.07034	21.7
107.04965	16.5
107.08596	27.0
109.02914	3.8
109.06546	3.5
109.10164	20.8
115.05469	3.6
117.07026	13.7
119.04953	6.4
119.08588	16.7
121.02853	5.1
121.06514	3.2
121.10143	20.2
123.04430	7.9
123.11741	4.1
125.09624	12.1
129.07008	7.9
131.04924	4.1
131.08594	14.8
133.06535	3.3
133.10135	10.8
135.04434	33.0
135.08025	4.9
135.11702	10.2
143.08588	5.5
145.06427	3.7
145.10132	10.0
147.04413	4.0
147.08153	3.1
147.11697	7.9
149.02367	3.6
149.05984	3.4
149.13322	6.9
151.03922	10.8
153.09091	2.9
155.08609	3.9
157.06615	3.5
157.10123	6.7
159.04491	3.1
159.11705	9.2
161.02377	5.5
161.06009	5.4
161.13246	4.5
163.03867	13.6
163.11148	3.5
165.01802	3.2
167.07137	3.2
167.08566	5.4
169.10068	5.6
171.08084	3.1
171.11624	3.4
173.13327	5.2
175.03918	10.4
175.11201	4.0
177.01759	3.1
177.05498	4.1
177.12735	3.3
179.03395	5.3
181.10164	3.7
183.11813	2.7
185.05978	5.2
185.09622	3.6
187.03934	5.4
189.05470	7.6
189.11215	6.6
191.03329	5.8
197.04434	4.1
197.09708	3.5
199.03951	14.8
199.14801	2.7
205.04839	6.0
209.13304	3.4
211.11121	3.1
213.09119	4.0
215.10594	4.0
219.10280	2.6
221.04443	4.9
225.09103	3.9
227.10713	2.8
227.12743	7.9
231.10338	6.1
239.10632	4.1
241.12259	3.7
243.10173	6.1
255.10303	3.2
257.08215	3.8
257.11679	5.5
261.11343	2.6
261.22223	7.2
269.11594	5.4
271.09641	3.7
285.11234	5.7
287.12759	9.2
289.10788	3.1
301.10248	2.7
303.12308	7.0
313.10950	6.6
321.13373	8.0
331.11673	8.2
331.15271	2.8
335.25806	100.0
349.13052	12.4
361.16843	2.8
367.13696	3.8
375.14389	5.3
405.15399	7.1
423.16583	35.0
441.17480	9.5
447.29666	2.5
505.35251	4.5
525.35779	7.4
526.36383	4.3
527.13483	2.8
563.34210	2.8
591.33105	5.9
609.33856	6.8
621.38031	7.8
627.35242	3.8
635.35809	15.4
639.38409	9.8
647.35822	6.1
655.38422	5.9
657.39081	5.3
665.36890	26.3
673.39429	3.7
675.41071	4.2
683.26636	5.0
683.37921	75.8
684.38171	4.2
701.38959	88.0
702.38898	3.5
719.39441	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	949.6258
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	1.5
69.92560	3.4
69.92963	1.7
71.07387	5.4
71.08619	1.7
74.98820	0.9
81.07051	2.4
83.63562	0.8
86.09713	49.2
86.57291	0.8
95.08582	1.6
98.98465	2.6
104.10753	100.0
105.11105	1.6
109.10205	1.1
125.00014	25.3
141.70840	0.8
184.07356	95.2
207.07922	1.0
243.98097	1.1
313.27255	2.6
478.33063	8.8
496.34024	86.0
497.34186	2.9
588.85498	1.0
684.38818	1.2
769.95276	0.9
937.70862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04229	0.3
68.05022	0.9
69.03432	2.3
70.01830	1.1
70.06583	0.6
71.04967	0.4
72.04514	0.4
72.08160	13.2
80.05015	1.1
81.03041	0.3
81.03431	2.8
82.06583	23.7
83.06103	0.7
84.04508	17.5
84.08149	3.5
85.02905	0.4
96.04493	15.2
97.02892	2.8
98.02502	0.3
98.06062	7.5
98.09705	0.6
99.04454	1.6
100.07605	1.6
102.05544	1.0
106.06583	0.5
108.04494	0.8
109.02881	4.3
110.06065	1.1
114.05531	0.7
116.07077	0.4
122.06091	0.3
124.03984	0.5
126.05525	24.0
127.03912	1.5
128.07083	81.3
129.06596	1.9
129.07425	0.5
130.05006	1.8
138.05508	100.0
139.05835	1.0
144.06567	17.1
144.10207	21.4
145.09691	2.2
147.07722	0.6
147.09140	0.3
150.05507	0.9
152.07133	0.3
153.10225	1.4
154.08577	0.5
155.08116	0.3
156.06563	0.6
165.10262	0.6
167.11852	0.5
168.06572	19.7
172.09647	1.5
173.09230	46.9
174.09605	0.6
185.09187	0.3
186.07620	11.3
190.10733	0.6
191.10312	2.0
193.09721	2.0
199.10782	13.7
204.08682	8.2
211.10831	1.7
222.09793	0.4
226.11830	0.4
227.10320	1.6
235.10907	0.4
238.11958	0.6
239.10269	8.3
244.12924	4.2
245.11414	0.6
245.30376	0.3
257.11337	2.3
262.13992	27.3
263.14438	0.6
277.12076	0.3
283.12909	0.3
284.12424	2.8
285.10898	0.6
302.13483	30.0
303.13782	0.8
328.15137	1.5
329.17102	9.8
333.22089	0.3
339.15460	1.3
357.16586	15.3
358.17111	0.3
373.17352	1.9
374.15695	0.4
375.17673	2.6
391.18243	36.0
392.18494	1.0
417.18573	0.5
473.22516	2.6
486.21075	0.4
524.22400	4.3
525.87830	0.3
542.23413	1.4
544.26196	0.7
560.24542	4.8
562.27216	13.2
563.27643	0.4
658.28992	1.6
729.32874	1.1
747.34052	30.2
748.34741	1.7
912.97925	0.4
950.42065	5.9
951.41315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	2.8
69.03448	9.1
70.06604	10.4
71.05009	2.5
79.05470	4.3
81.03410	8.0
81.07055	3.4
82.06544	1.6
84.08145	3.0
85.02898	10.5
86.09705	4.2
88.36687	1.5
91.05481	5.2
93.05768	2.2
93.07050	4.1
94.04204	2.9
94.06579	9.0
95.04963	2.9
95.07363	2.5
96.08126	7.0
97.02892	5.9
103.05501	4.7
105.07027	4.2
106.06507	1.9
107.04987	9.5
107.07350	3.2
108.04501	2.4
108.08130	24.4
109.02883	3.5
109.16370	1.7
110.09686	15.2
115.05482	2.6
117.03398	2.1
117.07018	2.4
119.04922	3.2
120.04400	3.4
120.08112	16.3
122.03660	3.8
122.06026	13.8
122.09686	8.7
123.04353	2.3
124.07601	6.0
127.03911	5.0
129.10231	2.1
134.05991	3.2
134.09665	1.8
136.06544	3.6
136.07576	34.4
137.05986	58.1
138.05453	2.1
138.09146	17.9
143.04900	4.2
145.02806	4.3
145.05075	1.8
145.06458	3.8
146.06010	10.1
147.04404	3.8
148.07579	22.3
150.09113	10.6
151.03920	5.2
152.07069	15.4
153.05556	1.8
160.04016	3.2
160.07602	2.4
161.06007	3.2
162.05493	5.2
162.09132	3.8
164.07080	5.2
166.08649	23.5
167.07056	21.4
172.03941	12.3
173.05959	4.9
174.05545	4.4
174.09169	3.7
174.21072	1.6
174.49048	1.9
176.07164	2.5
177.05486	6.4
181.04956	14.0
182.09752	2.5
190.04965	9.2
190.08653	2.0
192.06622	2.0
194.08116	3.0
197.10735	3.7
198.11526	3.7
202.08743	2.2
203.07036	2.6
204.06546	8.8
205.08607	2.7
207.06583	4.3
209.10742	4.1
210.11522	2.9
211.12318	8.6
213.10254	2.3
216.10167	1.9
223.12276	4.6
224.09427	2.7
225.10263	15.3
225.13914	4.3
226.10951	4.9
227.11803	12.0
233.08215	2.9
234.11456	2.3
236.09409	2.3
237.10236	10.1
237.13785	2.8
238.11018	7.5
239.08252	1.9
239.11797	27.0
240.12592	6.6
241.13347	4.2
246.11305	2.3
249.10190	5.8
250.11032	7.7
251.07967	2.3
251.11803	33.0
252.12531	9.0
253.09831	4.8
253.13373	13.3
254.13770	2.7
255.11389	8.8
262.10934	2.2
262.13397	2.2
263.11780	16.3
264.08994	4.4
264.12488	6.6
265.10062	10.8
265.13174	13.1
266.10474	5.6
266.14111	4.1
267.11331	27.9
268.11954	4.2
269.12775	4.9
271.10950	2.5
271.14285	2.1
273.12390	3.4
277.09692	7.4
277.13339	5.5
278.10526	8.8
278.13589	2.6
279.08380	3.3
279.11298	39.5
280.12234	9.0
281.12857	17.2
283.10226	2.3
284.11615	4.8
285.12415	18.7
287.05490	4.9
291.11343	14.2
292.11987	6.6
293.12753	12.1
295.10779	3.8
295.14038	2.4
296.11554	2.8
297.12378	24.7
298.13132	3.0
299.13968	9.8
307.10785	7.2
309.12329	6.7
310.12808	3.2
311.10471	2.3
311.13849	19.1
319.10645	9.3
321.12460	10.3
323.10217	7.6
323.13708	3.5
325.11795	6.7
325.15527	2.1
327.13336	7.6
328.14703	2.1
330.16156	3.4
335.13998	2.8
337.11771	6.9
339.13483	9.1
340.14389	1.9
341.15060	2.2
351.13101	2.8
353.14920	2.9
355.12662	2.7
357.13739	7.7
365.10840	2.0
365.15103	2.4
367.12708	2.4
368.13818	2.2
369.14359	4.6
371.16284	2.8
372.17130	4.6
376.20593	2.5
379.12839	3.9
381.14523	4.0
382.15747	2.7
383.16101	3.5
384.17151	2.2
385.13440	2.1
387.14377	35.4
388.15936	2.6
390.18091	2.2
393.14337	3.1
395.15973	3.2
398.14893	2.2
399.15488	2.2
400.16431	3.7
404.19809	2.9
411.15500	9.9
412.16302	3.3
413.16995	3.1
417.15176	2.7
419.95923	1.9
423.15253	4.3
425.17264	2.0
428.15582	2.3
429.16611	12.7
430.17322	6.2
431.17929	2.4
432.19006	4.0
435.15591	3.8
439.14874	3.4
441.16711	8.3
443.18155	3.8
445.14536	2.0
446.20682	5.2
453.16434	8.6
459.17166	3.9
463.15308	2.6
467.14627	3.4
469.15756	3.5
471.17636	8.3
472.18350	3.0
481.16190	13.5
556.20911	3.2
558.22467	2.4
576.23346	2.7
578.24597	3.7
590.24408	2.6
592.23175	6.4
593.23572	15.1
594.24493	22.9
598.21906	2.6
604.22638	2.6
606.24438	17.0
607.25604	2.1
618.24005	6.1
620.22528	17.3
621.22986	9.4
622.23517	6.3
634.23901	44.7
635.24225	5.6
636.25098	6.2
652.25305	2.1
666.26770	24.6
667.27234	4.1
693.29663	2.2
721.28180	7.1
739.29803	14.5
755.26428	3.8
756.29010	5.1
757.30774	100.0
758.30817	4.1
778.28308	17.6
779.28632	2.4
780.29260	2.4
789.32721	7.6
796.29248	81.8
797.29987	23.8
798.30444	3.5
828.31470	13.8
829.31793	7.6
901.34467	4.6
919.36096	37.9
951.34631	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	954.6152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	70.0
69.03432	2.9
69.06734	1.1
69.07074	16.3
70.76373	2.5
71.04988	2.7
73.02914	5.6
78.12579	0.8
79.05498	49.7
81.03426	2.2
81.07063	76.6
81.51059	0.8
83.04984	2.4
83.08614	7.8
85.02911	19.9
85.06538	2.4
91.03957	13.6
91.05488	32.0
93.07050	55.1
94.07397	0.8
95.04955	3.5
95.08612	54.9
96.04499	1.5
97.02910	9.8
97.06539	3.7
97.10169	2.4
99.04477	1.0
99.08103	1.5
101.02389	1.0
105.04520	1.6
105.07035	25.5
107.08601	30.5
109.02876	0.9
109.06508	2.0
109.09475	1.6
109.10171	26.9
110.72147	0.8
111.08075	1.4
117.07011	10.3
119.08594	21.2
121.10152	26.4
123.08071	1.2
123.11710	8.5
127.03939	4.6
129.07004	1.7
131.08575	17.3
133.10141	19.6
135.11713	16.5
137.09618	1.0
137.13268	2.8
143.08572	3.7
145.04951	5.9
145.10141	13.7
147.10555	1.0
147.11699	14.7
149.13289	12.0
151.11246	1.2
157.10138	2.8
159.11713	10.3
161.13263	9.0
163.05995	6.9
163.14795	5.0
171.11717	4.3
173.13287	6.9
175.14793	4.4
177.16389	2.5
185.13287	2.7
187.14833	4.1
189.16435	1.7
199.14845	3.2
201.16481	1.2
213.16418	1.0
241.19492	3.5
243.21133	5.5
259.20581	9.5
261.22162	20.9
263.23682	2.5
299.23767	1.3
315.23181	1.6
317.24774	3.7
333.24246	7.7
335.25821	100.0
336.26157	2.1
337.27417	10.9
353.27124	1.4
495.65704	1.0
505.38873	1.2
521.43359	3.1
539.44873	1.3
543.40076	1.1
595.47266	17.1
596.47314	1.2
613.48206	23.2
679.42181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	1.3
68.99787	1.1
69.03428	5.7
69.07058	1.6
69.87437	0.5
70.06599	3.3
71.04995	9.9
71.51460	0.9
72.08165	0.7
73.02942	0.6
73.06560	3.8
77.03928	1.3
77.87302	0.4
79.05502	8.9
81.03424	7.2
81.06587	1.1
81.07060	19.9
83.04965	0.7
83.06065	0.6
84.04498	0.6
84.08167	0.9
85.02909	9.4
86.09706	1.4
87.00845	2.4
91.05487	19.3
93.07043	16.2
94.04206	0.5
95.04449	0.5
95.04943	2.6
95.08630	2.8
97.02887	4.4
97.06507	1.4
99.04467	2.1
103.03965	1.5
103.05470	35.6
104.05781	0.7
105.01883	1.2
105.03411	2.6
105.04533	1.1
105.07037	17.0
107.04986	3.3
107.08598	11.0
109.02885	10.3
109.06538	3.1
109.07167	0.5
109.10174	2.4
110.52402	0.5
111.04412	0.9
115.03949	1.0
115.05454	4.5
119.04947	23.0
119.08626	0.6
121.06483	1.5
122.03625	1.2
123.04494	0.7
123.08031	1.4
127.03926	10.5
128.06247	0.7
129.01817	1.4
129.06987	0.8
129.10240	1.0
130.04120	0.6
131.04935	73.1
132.05196	0.6
133.02867	9.5
133.06497	13.8
135.04431	0.6
135.11697	21.7
135.12726	1.2
137.05984	29.1
138.06296	0.6
141.01863	1.4
143.05002	0.6
143.06053	1.7
145.04958	1.6
145.06491	1.2
147.03139	0.6
147.04427	6.7
147.08046	1.2
149.05991	1.8
150.06795	0.7
151.03931	2.2
151.06439	0.9
151.07561	11.4
151.11134	0.6
153.05511	0.6
153.12752	100.0
154.13077	1.7
159.02884	1.0
159.08066	1.7
159.11580	0.5
160.05222	0.8
161.05991	52.6
162.06767	2.3
163.07549	38.9
165.05486	4.2
167.07083	1.0
169.06462	0.9
171.02997	1.2
175.07555	5.9
177.05519	1.7
179.07048	10.5
181.04959	0.9
187.07549	4.6
189.03911	1.2
189.09180	0.8
191.07024	2.5
191.08562	0.7
192.07491	0.5
193.08620	1.0
199.07497	1.1
201.09206	0.6
203.07030	3.7
205.08560	3.0
209.08156	0.6
213.03902	2.2
215.07094	1.3
217.02950	0.5
217.08546	2.9
219.08133	1.0
229.08681	1.5
231.04996	2.2
231.08290	0.8
233.08040	1.3
235.09654	0.7
241.08614	0.7
247.07494	1.0
251.10733	1.3
255.06659	0.6
257.08163	1.6
259.07227	0.5
267.10565	0.6
269.08026	0.8
271.09680	0.5
275.09088	0.9
279.10205	2.2
285.11411	0.7
287.09012	0.5
291.07129	1.1
291.10202	3.5
309.11273	3.8
311.12787	4.7
323.12903	3.7
333.08075	1.9
335.12646	1.0
341.13815	4.1
353.13885	0.6
357.08264	1.5
358.68649	0.5
359.14862	0.7
375.09244	2.0
383.14896	0.8
458.61719	0.6
470.14285	0.5
487.12454	0.9
553.58154	0.5
685.21259	0.6
697.20953	0.9
795.95923	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	91.0
69.03436	5.3
69.07071	33.5
71.05002	3.2
71.08629	2.3
71.29101	2.4
73.02918	6.3
73.06567	0.8
77.03915	0.9
79.05495	49.1
81.03411	2.8
81.07059	99.7
82.07376	1.1
83.04976	2.2
83.08622	18.5
85.02909	27.0
85.06540	2.2
91.03963	17.6
91.05482	28.2
93.07047	57.6
95.04959	3.6
95.08611	78.9
96.93664	0.8
97.02899	14.4
97.06523	4.9
97.10175	9.6
99.04441	1.4
99.08084	2.3
105.04492	2.0
105.07031	23.2
107.08592	34.8
109.06517	2.5
109.10162	36.4
111.08094	4.5
111.11677	2.1
115.03918	1.9
117.07016	7.8
119.08582	20.8
121.10147	30.1
123.08109	2.3
123.11711	14.9
125.09625	2.2
127.03932	7.3
129.07053	1.4
131.08574	13.9
133.10143	19.7
135.11697	19.9
137.13258	5.8
139.11186	1.0
143.08565	1.9
145.04950	9.8
145.10136	13.5
147.11697	14.5
149.13257	13.8
151.14713	2.2
157.10138	1.3
159.11705	9.6
161.13278	11.4
163.06021	11.1
163.11208	1.1
163.14838	8.2
165.16356	1.6
169.10107	1.2
171.11684	2.1
173.13252	9.2
175.14845	6.3
177.12767	1.0
177.16373	3.1
179.17987	1.3
185.13248	2.0
187.14827	3.6
189.16368	2.8
199.14822	1.9
201.16457	1.5
203.17931	1.1
205.15874	1.9
215.17973	1.8
217.19579	1.5
219.17465	1.2
233.22697	3.1
241.19510	2.7
243.21068	9.4
245.22687	3.6
247.24284	1.2
259.20657	8.4
261.22153	29.4
263.23691	6.3
265.37088	0.9
273.22098	1.3
279.23294	1.2
281.21130	1.0
289.25171	1.0
301.25198	1.2
317.24710	5.2
333.24173	5.2
335.25812	94.3
336.26071	3.1
337.27377	100.0
338.27643	3.5
339.28992	9.7
343.30136	1.2
489.35089	1.1
522.15863	1.1
523.45209	6.1
531.40436	1.5
541.46136	1.9
597.48804	42.3
598.49030	1.8
615.49841	55.9
616.49872	2.7
677.40839	1.0
884.78900	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6463
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80820	1.0
67.05510	46.6
69.03418	1.6
69.07075	22.5
71.04978	1.1
71.08616	3.0
71.51709	2.1
72.71449	1.1
73.02899	3.2
79.05498	18.4
81.03413	1.1
81.07059	53.2
83.04991	2.6
83.08621	12.8
85.02907	11.7
85.06535	2.2
87.36808	0.9
91.03959	8.9
91.05483	11.8
93.07047	21.5
95.08613	44.1
97.02914	6.1
97.06529	3.2
97.10171	7.5
99.04393	1.1
99.08111	1.1
105.07043	8.6
105.66508	1.0
107.08606	11.7
109.06514	1.1
109.09476	1.3
109.10164	15.5
111.08040	1.8
111.11712	1.7
113.31471	1.0
117.07033	2.3
119.08579	6.1
121.10138	10.1
123.08036	1.5
123.11740	7.1
123.84870	1.0
125.09610	2.0
127.03901	3.2
131.08565	3.5
133.10106	7.3
135.11668	6.8
137.13266	3.7
145.04971	6.3
145.10143	1.5
147.11676	4.5
149.13240	3.6
151.14795	2.4
159.11737	2.0
161.13257	4.4
163.06036	5.9
163.14842	3.5
165.16386	1.0
175.14845	2.8
177.16385	1.3
187.14796	2.0
243.21060	1.7
245.22746	3.9
261.22211	5.4
263.23730	5.1
317.24860	1.4
335.25720	6.8
337.27374	100.0
338.27878	1.5
339.28983	12.3
365.84644	1.0
383.57074	1.0
463.73203	1.0
491.47931	1.1
507.45480	1.3
525.46533	3.7
543.47552	1.5
599.50385	37.3
600.50500	2.1
617.51434	38.9
618.51556	2.0
959.55951	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5704
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	2.6
69.03429	3.3
69.07076	0.9
71.01340	0.4
73.02914	3.4
76.10902	0.4
79.05512	1.5
81.03429	1.3
81.07047	2.7
83.08624	0.5
85.02913	4.7
87.04462	0.5
91.03955	3.5
91.05486	1.3
93.07050	2.1
95.08628	1.8
97.02895	6.2
97.03448	0.6
99.04446	0.8
101.02400	1.7
103.03987	0.4
107.08646	1.1
109.02888	0.8
109.10178	0.9
121.10144	1.1
127.03955	0.9
135.11737	0.5
161.13306	0.4
166.17059	0.5
185.04317	0.8
185.24399	0.6
203.05357	0.5
243.08476	1.8
279.84082	0.4
335.25842	0.8
347.09311	2.0
355.37085	0.5
372.49844	0.5
405.13785	5.1
519.29303	6.8
681.34747	9.0
797.51501	0.7
959.57043	100.0
960.57251	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	959.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	2.9
69.03429	2.8
69.07063	0.7
69.15677	4.3
73.02927	3.1
76.65563	0.3
79.05511	1.6
81.03432	1.3
81.07060	2.5
83.08653	0.4
85.02913	4.7
91.03971	3.3
91.05502	1.6
93.07059	2.1
95.08641	2.0
97.02897	3.9
99.04456	0.7
101.02407	1.2
105.07049	0.8
107.08620	0.8
109.02901	0.7
109.10210	1.1
117.29785	0.4
121.10173	0.9
121.38152	0.3
127.03947	1.2
131.08626	0.6
133.10208	0.6
135.11758	0.5
147.11729	0.5
160.60072	0.4
185.04257	0.5
203.05399	0.5
234.94191	0.3
243.08458	1.9
266.40945	0.4
306.78552	0.3
335.26086	0.7
347.09674	1.6
363.08975	0.6
405.13733	4.4
441.92102	0.4
490.11087	0.4
519.29364	5.6
681.34656	8.7
797.52045	0.9
959.57080	100.0
960.56903	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	960.6617
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	39.3
69.03443	4.1
69.07061	8.3
69.34921	5.7
69.35344	7.7
71.04995	1.6
71.08635	15.6
73.02921	4.8
79.05497	23.9
79.05930	2.8
81.07056	41.7
82.07420	1.9
83.08639	8.1
85.02904	17.7
85.10189	9.9
91.03960	10.7
91.05480	12.6
93.07042	28.0
95.08607	39.2
95.09171	2.7
97.02918	10.8
97.06541	2.2
97.10178	5.7
98.26597	1.7
105.07003	9.2
107.08603	15.1
109.02855	1.8
109.06532	1.5
109.10155	21.4
111.11755	2.2
117.07024	3.2
119.08600	6.6
121.10168	14.7
123.11751	9.8
127.03970	5.0
131.08594	8.4
133.10175	7.1
135.11679	8.7
137.13286	3.6
145.04976	7.5
145.10181	6.9
147.11754	5.6
149.13297	7.0
159.11771	4.1
161.13281	3.7
163.06073	5.8
163.14833	5.4
173.13298	7.1
187.14871	2.2
193.82161	2.2
201.95778	1.7
219.38214	1.5
233.22762	2.7
243.21107	12.6
261.22147	40.5
261.24786	2.1
267.26794	2.4
317.24872	5.7
335.25812	74.8
336.26340	3.0
341.30511	100.0
342.31122	3.6
347.09702	1.9
405.14050	2.3
408.33774	1.6
457.10947	1.5
480.70578	1.8
519.29810	2.2
520.29968	2.1
601.51904	39.5
602.51971	2.2
619.53101	6.9
682.35114	4.7
888.19299	1.7
960.57355	72.1
961.57214	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	961.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	4.2
69.03437	2.6
69.07073	1.3
69.82487	1.7
71.01382	0.4
71.04999	0.7
71.08655	0.6
73.02919	4.0
74.14868	0.3
79.05495	2.5
81.03423	1.6
81.07063	4.3
83.08645	0.4
85.02909	5.3
87.04557	0.4
91.03954	3.6
91.05494	1.1
93.07053	2.4
93.22779	0.4
95.08624	3.3
97.02900	5.7
97.06546	0.3
99.04473	1.2
99.63171	0.3
101.02401	1.8
105.07056	1.0
107.08636	1.3
109.02889	0.7
109.10197	1.3
109.66380	0.4
119.08597	0.9
121.10178	1.1
123.11731	0.5
127.03958	1.5
133.10127	0.8
135.11713	0.8
137.29085	0.3
145.04994	0.5
147.11778	0.5
159.11757	0.4
173.13304	0.5
185.04268	0.5
193.81854	0.4
203.05333	0.7
243.08385	1.9
243.21217	0.4
250.97633	0.3
261.22299	0.5
332.94431	0.3
335.26007	1.5
336.26218	0.8
341.30746	1.2
342.30951	0.8
347.09622	1.5
351.19150	0.4
363.09128	0.6
365.10730	1.0
405.13766	4.4
405.18597	0.4
519.29578	3.1
521.30914	2.9
602.52563	1.0
681.34589	4.3
683.36316	3.7
799.53766	0.8
843.32629	0.4
961.58630	100.0
962.58783	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	962.329
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	0.3
68.99774	0.3
69.03435	2.8
70.06597	0.4
71.04982	0.8
71.51449	0.6
77.03929	0.6
79.05504	1.6
81.03421	8.8
85.02914	4.5
91.05486	39.1
94.37934	0.3
95.04975	1.8
97.02901	6.8
99.04470	3.7
105.03413	0.4
105.04555	0.9
105.07037	0.7
107.04962	100.0
108.05301	0.9
109.02886	15.4
115.05462	1.7
117.07025	2.0
119.04992	0.6
127.03926	28.6
132.22610	0.3
133.06496	1.5
139.03935	0.4
143.04903	2.5
145.04980	12.3
145.06470	1.1
161.05994	18.8
169.04974	7.4
171.04424	11.3
171.05911	0.3
172.04811	0.4
179.07040	9.5
179.08563	0.6
187.06023	3.5
189.05544	0.9
201.83484	0.3
207.06618	0.4
221.08124	2.0
229.07001	1.7
231.06526	1.9
247.08177	2.1
249.07594	6.4
267.08704	1.2
269.08090	0.6
287.09122	2.4
305.10223	4.6
315.08780	1.6
333.09717	3.9
347.11267	3.5
351.10736	1.4
365.12543	0.6
375.10770	14.5
393.11813	9.9
407.13437	0.4
435.12946	1.3
452.01721	0.3
453.13953	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	962.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	0.2
69.03437	2.7
69.26596	0.2
70.89086	0.3
70.89420	0.5
71.04992	0.8
77.03930	0.5
79.05495	1.7
80.61826	0.2
81.03423	10.3
81.07072	0.4
83.01353	0.4
85.02908	4.5
85.03385	0.4
91.05487	40.1
92.05811	0.3
95.04977	1.8
95.08601	0.2
97.01141	0.3
97.02898	6.2
97.03521	0.3
99.04466	3.9
105.03382	0.4
105.04536	0.9
105.07047	0.7
107.04962	100.0
108.05278	1.1
109.02890	14.5
115.03910	0.4
115.05472	1.5
117.07039	2.5
119.04984	0.6
119.08575	0.3
127.03926	28.5
128.04280	0.2
133.06502	1.9
137.06114	0.3
139.03886	0.3
141.05443	0.3
143.04948	2.4
143.58072	0.2
143.59247	0.2
145.04970	13.3
145.06422	1.0
155.08646	0.3
161.05991	18.3
162.06479	0.3
169.04982	7.4
169.06392	0.5
171.04427	11.1
179.07045	9.6
187.06065	3.5
189.05482	1.0
203.07076	0.3
207.06499	0.2
221.08124	2.2
229.07097	2.1
231.06535	1.5
247.08141	2.2
249.07581	5.1
252.14056	0.4
267.08606	1.2
269.08136	0.6
287.09134	2.6
297.07635	0.2
300.78635	0.2
305.10236	3.6
315.08600	1.7
333.09689	3.6
347.11221	3.6
348.10321	0.2
351.10779	1.4
365.12360	0.3
375.10751	11.8
376.10925	0.4
393.11795	9.4
394.12106	0.2
407.13403	0.5
435.12689	1.0
453.13925	9.3
454.14285	0.3
799.36188	0.5
800.36823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.329
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	0.3
68.99774	0.3
69.03435	2.8
70.06597	0.4
71.04982	0.8
71.51449	0.6
77.03929	0.6
79.05504	1.6
81.03421	8.8
85.02914	4.5
91.05486	39.1
94.37934	0.3
95.04975	1.8
97.02901	6.8
99.04470	3.7
105.03413	0.4
105.04555	0.9
105.07037	0.7
107.04962	100.0
108.05301	0.9
109.02886	15.4
115.05462	1.7
117.07025	2.0
119.04992	0.6
127.03926	28.6
132.22610	0.3
133.06496	1.5
139.03935	0.4
143.04903	2.5
145.04980	12.3
145.06470	1.1
161.05994	18.8
169.04974	7.4
171.04424	11.3
171.05911	0.3
172.04811	0.4
179.07040	9.5
179.08563	0.6
187.06023	3.5
189.05544	0.9
201.83484	0.3
207.06618	0.4
221.08124	2.0
229.07001	1.7
231.06526	1.9
247.08177	2.1
249.07594	6.4
267.08704	1.2
269.08090	0.6
287.09122	2.4
305.10223	4.6
315.08780	1.6
333.09717	3.9
347.11267	3.5
351.10736	1.4
365.12543	0.6
375.10770	14.5
393.11813	9.9
407.13437	0.4
435.12946	1.3
452.01721	0.3
453.13953	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	962.329
Annotation	Unknow
Peak:m/z	Relative Intensity
66.82698	0.3
69.03432	2.9
70.05849	1.2
70.06577	0.6
71.04997	0.5
77.03941	0.4
79.05479	2.1
81.03419	10.9
81.55015	0.3
85.02904	4.8
91.05485	40.8
95.04945	1.8
97.02895	6.5
99.04467	4.1
105.04519	0.8
105.07047	0.5
107.04958	100.0
108.05293	1.0
109.02885	15.6
115.03918	0.5
115.05463	1.4
117.07037	2.5
119.04979	1.3
127.03922	30.0
131.04968	0.3
133.06497	1.9
137.05962	0.5
139.24077	0.3
141.61684	0.3
143.04950	2.3
145.04965	12.9
145.06279	0.6
147.04419	0.4
161.05981	22.4
161.14279	0.4
168.45682	0.4
169.04970	8.3
171.04414	12.3
174.80507	0.3
175.03914	0.5
179.07048	9.5
187.06003	3.9
189.05559	0.9
207.06676	0.9
221.08122	1.9
229.07034	1.8
231.06577	1.5
247.08174	1.8
249.05055	0.4
249.07616	7.2
267.08719	1.5
269.07999	0.8
287.09073	3.4
305.10211	4.3
315.08618	2.6
333.09634	4.3
347.11258	3.2
351.10736	1.1
375.10745	13.1
376.11044	0.4
393.11832	10.2
407.13455	0.6
435.12994	1.2
453.13916	9.8
453.20377	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99789	0.3
69.03434	1.8
69.07079	0.3
70.06594	1.0
70.30432	0.8
71.04992	0.7
72.08166	0.3
74.72643	0.2
77.03942	0.7
79.05507	1.9
81.03423	7.5
81.07069	0.8
83.05022	0.2
85.02912	5.0
85.88306	0.3
86.09700	0.4
91.05486	44.0
92.05799	0.3
93.07053	0.3
95.04961	1.9
95.08633	0.4
97.02898	5.9
97.03515	0.4
99.04468	2.5
103.05431	0.4
105.03410	0.8
105.04527	1.1
105.07026	1.6
107.04962	100.0
108.05276	1.2
109.02888	19.2
115.05466	4.0
117.07035	3.2
119.04961	1.1
119.08598	0.3
120.08066	0.4
122.33019	0.2
123.11725	0.2
127.03925	22.7
128.04315	0.3
129.05438	0.3
131.05026	0.4
133.06503	8.3
137.05988	1.8
139.03943	0.3
142.47284	0.3
143.04929	1.7
145.05016	1.5
145.06470	1.2
147.04459	0.5
147.08098	0.3
159.04373	0.4
161.05989	88.4
162.06325	1.4
169.04985	3.4
171.03041	0.5
171.04427	6.2
171.08052	0.3
175.07594	0.8
179.07048	14.9
181.06512	0.4
187.06036	2.6
187.07538	0.5
187.22849	0.2
189.05499	2.7
191.17947	0.3
199.07533	0.5
207.06573	1.1
209.06100	0.4
217.08629	0.3
223.07480	0.4
229.07104	2.8
247.08151	4.4
249.07597	11.9
269.08102	1.4
287.09183	5.9
297.07800	0.3
305.10223	1.0
315.08627	20.3
316.08963	0.4
323.12793	0.3
333.09589	1.0
347.11249	0.9
375.10806	5.6
393.11649	1.6
407.13309	0.4
435.12708	0.7
453.14011	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	962.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.3
68.99767	0.6
69.03432	8.5
69.40008	2.3
70.06591	0.6
71.01374	0.3
71.04993	2.3
73.02907	0.4
77.03949	0.4
79.05492	1.4
81.03419	25.7
81.07069	0.7
83.01349	1.2
83.04967	0.6
85.02908	11.8
86.09702	0.4
91.05481	100.0
92.05806	0.9
95.04964	0.8
95.08593	0.5
97.02892	15.3
98.21328	0.9
99.04455	10.6
99.05119	0.5
103.03970	0.3
105.03408	0.5
105.07037	1.2
107.04957	40.6
107.08582	0.4
108.05302	0.5
109.02879	37.1
114.46841	0.3
115.03950	0.8
115.05447	4.2
117.07025	5.6
119.04937	1.9
127.03918	75.6
128.04254	0.8
129.03381	0.3
129.06999	0.4
133.06493	3.7
133.10175	0.5
137.05997	0.4
139.03929	1.1
143.04915	6.3
145.04961	30.6
145.06454	3.1
147.04425	0.4
161.05978	46.7
162.06317	0.8
162.07623	0.3
169.04971	16.8
171.04413	29.5
172.04739	0.6
179.07036	23.2
187.06024	9.7
187.07693	0.6
189.05458	2.2
199.07487	0.7
203.07048	0.7
207.06464	0.9
221.08072	5.8
225.07500	0.4
229.07040	5.5
231.06531	3.4
243.10088	0.4
247.08133	4.8
249.07588	14.0
252.14056	0.3
267.08603	3.6
269.08041	1.5
287.09128	7.0
297.07700	0.4
305.06683	0.5
305.10190	9.6
315.08603	3.8
333.09705	9.2
333.13736	0.3
347.11227	8.5
348.11594	0.4
351.10672	3.3
357.09592	0.9
365.12280	1.0
370.96072	0.4
375.10748	32.6
376.11108	0.8
393.11798	23.9
394.12100	0.7
407.13162	1.8
411.12747	0.4
435.12848	2.8
453.13901	21.8
454.14185	0.8
537.16077	0.6
597.18170	0.4
645.47729	0.3
799.35828	0.8
800.36810	2.3
898.09021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.3
68.99767	0.6
69.03432	8.5
69.40008	2.3
70.06591	0.6
71.01374	0.3
71.04993	2.3
73.02907	0.4
77.03949	0.4
79.05492	1.4
81.03419	25.7
81.07069	0.7
83.01349	1.2
83.04967	0.6
85.02908	11.8
86.09702	0.4
91.05481	100.0
92.05806	0.9
95.04964	0.8
95.08593	0.5
97.02892	15.3
98.21328	0.9
99.04455	10.6
99.05119	0.5
103.03970	0.3
105.03408	0.5
105.07037	1.2
107.04957	40.6
107.08582	0.4
108.05302	0.5
109.02879	37.1
114.46841	0.3
115.03950	0.8
115.05447	4.2
117.07025	5.6
119.04937	1.9
127.03918	75.6
128.04254	0.8
129.03381	0.3
129.06999	0.4
133.06493	3.7
133.10175	0.5
137.05997	0.4
139.03929	1.1
143.04915	6.3
145.04961	30.6
145.06454	3.1
147.04425	0.4
161.05978	46.7
162.06317	0.8
162.07623	0.3
169.04971	16.8
171.04413	29.5
172.04739	0.6
179.07036	23.2
187.06024	9.7
187.07693	0.6
189.05458	2.2
199.07487	0.7
203.07048	0.7
207.06464	0.9
221.08072	5.8
225.07500	0.4
229.07040	5.5
231.06531	3.4
243.10088	0.4
247.08133	4.8
249.07588	14.0
252.14056	0.3
267.08603	3.6
269.08041	1.5
287.09128	7.0
297.07700	0.4
305.06683	0.5
305.10190	9.6
315.08603	3.8
333.09705	9.2
333.13736	0.3
347.11227	8.5
348.11594	0.4
351.10672	3.3
357.09592	0.9
365.12280	1.0
370.96072	0.4
375.10748	32.6
376.11108	0.8
393.11798	23.9
394.12100	0.7
407.13162	1.8
411.12747	0.4
435.12848	2.8
453.13901	21.8
454.14185	0.8
537.16077	0.6
597.18170	0.4
645.47729	0.3
799.35828	0.8
800.36810	2.3
898.09021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
67.86020	0.2
68.99794	0.5
69.03437	1.2
70.95425	0.3
71.04996	3.6
73.02914	0.2
75.04467	0.2
77.03915	0.5
78.04247	0.1
81.03419	3.2
83.04971	0.3
85.02908	6.1
89.03896	0.4
91.05482	12.0
96.51012	0.2
97.02903	0.7
99.04449	0.6
103.05452	0.3
105.03390	0.5
107.04931	0.3
108.05738	0.2
109.02898	1.7
111.00803	0.4
111.04436	0.3
117.03337	0.2
118.04192	0.2
119.04944	19.8
120.05244	0.3
121.02858	4.5
122.58163	0.2
127.03894	1.6
129.03345	0.3
129.05473	0.7
131.04895	0.2
132.02077	0.7
133.02814	0.7
133.96468	0.2
135.04414	0.3
136.05190	0.2
137.02339	0.8
145.02832	0.5
147.04408	18.1
148.04849	0.2
149.02376	0.6
153.01843	1.7
157.03955	1.9
157.06573	0.2
161.06003	0.2
162.03105	0.2
163.03705	0.1
164.04713	0.5
165.01826	0.8
171.03036	0.2
175.03909	37.4
176.04242	0.4
177.05490	0.2
179.07042	1.6
183.02879	0.3
185.05986	0.3
192.04199	0.6
207.06528	100.0
208.06868	1.6
210.05247	0.2
213.05464	0.9
219.06654	0.2
225.07529	0.4
231.06516	0.5
241.04869	0.9
245.04474	0.3
248.39763	0.2
258.05225	0.6
287.05499	60.6
288.05838	1.4
299.05634	0.2
329.06601	0.6
351.10751	4.8
369.11801	9.2
370.12082	0.3
449.10724	0.3
540.72107	0.2
627.90399	0.2
655.07294	0.2
655.16669	2.2
699.51813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	2.1
69.03426	2.1
69.48319	6.4
77.60208	1.2
79.05478	3.1
80.05016	2.5
81.03416	4.5
81.07068	1.3
82.06599	1.0
89.03929	1.5
91.05479	3.9
93.05778	3.3
93.07033	3.8
94.06572	11.1
95.04984	1.7
95.07358	3.1
96.08138	9.7
97.02894	1.7
98.21011	4.0
103.05467	2.3
104.05037	1.2
106.06548	3.5
107.07341	3.0
108.04477	3.9
108.08121	26.9
109.02853	2.4
110.06020	1.1
110.09690	15.4
116.04966	3.5
118.06525	3.3
120.04449	5.5
120.08115	19.7
121.06433	1.1
122.06029	15.3
122.09662	8.1
124.07585	6.5
127.03916	2.5
132.04440	1.8
132.08057	2.6
134.06015	6.4
136.07590	30.4
137.06021	1.3
138.05499	1.9
138.09154	25.3
144.04440	4.9
144.08072	2.1
146.06018	16.2
146.09659	1.3
147.04384	1.6
148.07587	12.5
150.09142	10.1
152.07100	5.5
158.06000	1.3
158.09589	1.6
160.03999	5.4
160.07622	3.3
161.05933	1.2
162.05495	6.6
162.09077	1.6
164.07089	6.0
166.08647	27.5
167.07318	1.4
172.03934	23.4
172.07570	2.2
174.05530	8.8
174.09117	1.5
176.07115	9.9
178.05020	1.9
180.10118	1.4
182.09708	1.3
183.09218	1.3
184.09932	2.0
186.05545	1.8
188.07092	3.8
190.04993	20.9
190.08592	1.2
192.06601	1.7
194.08170	1.1
197.10808	3.6
198.11462	1.2
199.08607	1.1
199.12334	3.1
200.07062	2.2
202.04977	2.0
202.08635	1.5
204.06572	11.2
204.10205	1.4
206.08139	1.9
208.09940	1.8
209.10760	2.6
211.08659	3.5
211.12270	2.2
212.09395	2.0
212.12973	1.6
213.10127	1.6
214.08702	1.4
216.06540	1.3
221.10570	1.5
223.08675	2.2
223.12317	3.0
224.09296	1.8
225.10303	7.9
225.13838	1.1
226.10995	3.1
227.11826	16.4
228.06610	2.5
230.07985	1.8
232.09717	1.6
233.10841	1.3
235.08661	2.3
236.09447	3.6
237.10179	8.6
238.08783	1.4
238.11018	3.9
239.11810	6.6
241.13370	2.7
245.12891	3.3
246.11287	1.2
248.09358	1.1
249.10272	6.5
250.10979	4.0
251.08185	3.1
251.11801	10.0
252.08951	3.6
252.12549	1.8
253.09818	8.1
253.13348	3.0
255.11255	12.5
261.10254	2.6
262.10977	2.1
263.08264	2.1
263.11774	6.9
264.08890	4.2
264.12491	3.7
265.09711	16.1
265.13324	3.8
266.10507	6.5
267.11295	16.2
268.12030	1.5
269.12805	4.3
271.10873	2.4
273.12408	8.1
274.54132	1.2
275.11874	2.9
277.09760	7.5
277.13376	3.2
278.10458	5.2
279.08160	1.1
279.11288	21.7
280.08353	1.5
280.11966	3.8
281.09525	1.9
281.12823	8.8
282.09579	1.1
283.10718	1.5
283.13904	1.3
285.12360	4.5
287.05432	1.2
289.09720	4.0
290.10336	1.9
291.11343	6.8
292.11978	2.1
293.09186	9.7
293.12811	3.8
294.09918	2.6
295.10767	3.3
295.13992	1.5
297.12399	8.9
299.14139	5.2
303.11154	3.7
305.09186	5.7
305.12659	2.3
306.10034	3.1
307.10791	12.5
309.12384	5.0
311.10565	1.7
311.13986	3.8
314.12827	1.9
316.14636	1.0
317.09174	1.3
319.10748	4.8
319.14014	1.4
321.08923	1.7
321.12366	6.7
322.09320	1.4
322.12842	2.5
323.10257	4.6
323.13992	2.9
324.10849	1.5
325.11737	11.8
327.13483	5.9
328.14526	2.4
329.15051	2.2
330.16055	2.0
331.10767	1.4
335.10202	4.1
335.13879	1.8
337.11789	3.7
338.12622	1.7
339.13446	3.8
340.14349	2.1
341.15356	1.8
342.12332	4.7
342.15988	1.5
343.13284	3.8
344.13953	1.4
345.12442	1.5
347.10379	2.4
349.11789	2.0
351.09952	1.6
352.14426	2.0
353.15247	1.5
356.13898	5.2
357.14655	3.0
358.15518	5.0
359.16129	1.6
361.11935	1.3
363.13626	2.6
364.14459	1.4
365.11179	2.2
366.11823	1.1
367.13043	1.9
368.13742	2.2
369.14734	2.5
370.11578	1.8
370.15555	3.4
372.17221	2.8
377.11356	1.2
379.13058	1.7
380.13953	1.2
381.14435	3.9
382.11572	2.1
384.13321	4.6
385.13919	3.0
386.14844	8.8
386.19238	1.8
387.15643	1.3
388.16501	3.7
391.13058	1.4
393.10553	2.4
396.17014	1.4
397.14038	1.8
398.14734	8.8
399.15695	5.9
400.16547	14.3
401.17099	2.3
402.18140	3.4
411.15561	2.4
412.16339	2.9
414.18073	3.7
416.16000	1.6
418.17368	1.7
422.15195	1.8
427.15088	1.5
429.16913	1.7
430.17352	2.5
431.18033	1.7
432.19098	2.0
440.16064	3.9
441.16666	1.5
442.17737	2.8
444.19220	1.4
453.12134	1.4
459.17490	1.3
460.18744	1.4
467.14352	2.2
468.15756	1.3
469.16104	1.8
471.17551	2.3
472.18582	1.5
481.15622	1.4
485.15869	1.8
554.18860	2.4
560.20093	2.2
572.20117	2.1
584.19708	1.6
592.23077	3.3
593.23828	1.2
594.24298	2.4
602.21381	3.9
604.22107	2.6
606.24286	3.2
616.20313	1.3
618.23999	4.0
619.24634	2.5
620.22229	4.3
622.23541	4.4
634.24207	5.5
635.24780	2.8
646.20258	1.8
659.56580	1.3
662.23169	1.4
663.23846	4.7
666.26001	1.6
676.19037	1.3
685.23114	1.4
691.24274	1.5
693.27911	1.3
695.26434	1.8
711.29639	3.2
712.20789	1.8
713.27954	3.2
718.21808	2.2
727.29218	4.5
728.30902	1.7
730.22345	3.8
737.28192	5.2
740.25342	1.6
742.21808	2.5
748.22821	3.8
751.25842	2.1
755.29260	100.0
756.29889	37.0
757.30762	10.3
760.23285	3.7
762.24329	1.5
763.27069	1.2
765.26807	4.1
772.22980	1.9
780.25153	1.6
781.25647	2.3
783.25513	1.6
787.31769	6.8
788.31952	4.5
790.24066	2.6
791.24707	4.0
792.25659	2.9
808.25562	22.3
809.26416	20.1
810.26007	4.4
811.25934	3.1
823.27881	2.6
824.28253	2.2
831.27789	4.5
840.27753	3.4
841.28314	4.8
847.27936	2.5
849.30255	5.2
867.30743	5.3
877.29187	7.4
885.31543	2.2
887.33636	2.5
895.30560	5.5
913.31360	19.8
931.32410	18.5
932.32214	2.0
963.33466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.0
69.03419	4.2
69.07038	1.5
69.87908	5.8
69.88326	3.0
70.06584	5.2
70.32076	1.5
72.08152	1.5
75.45438	1.7
79.05486	6.3
80.04999	4.2
81.03424	10.0
81.05826	2.3
81.07072	2.8
82.06572	3.0
84.08172	2.8
85.02897	9.4
86.09681	1.7
89.03914	2.8
91.05489	8.6
92.04966	1.9
93.05779	4.0
93.07030	7.0
94.06568	17.0
95.04974	2.6
95.07366	7.9
95.08622	3.3
95.27721	1.5
96.08134	19.0
97.02893	5.7
97.06532	1.4
99.04467	1.4
103.05464	3.8
105.05737	1.5
105.07000	1.4
106.06564	5.5
107.04948	6.3
107.07327	5.0
108.04459	8.1
108.08123	43.0
109.02879	6.5
110.09675	23.7
116.04988	6.3
117.03397	1.6
118.06540	4.6
119.08521	1.5
120.04476	19.3
120.08114	41.5
122.06026	20.4
122.09677	13.3
122.47536	1.6
124.07563	11.1
127.03921	4.5
129.10246	2.7
130.06535	2.2
132.04492	2.1
132.08086	5.0
134.06020	16.1
136.07588	43.0
137.05960	3.4
138.05510	5.2
138.09143	46.6
144.04453	6.4
144.08070	2.5
145.02863	1.6
145.04822	2.5
146.06027	18.7
146.09648	1.9
147.04442	3.3
148.03928	1.9
148.07578	21.3
150.05521	2.6
150.09143	13.7
152.07080	6.0
158.06021	2.9
160.03969	7.9
160.07596	6.2
162.05531	13.9
162.09079	3.4
164.07086	9.7
166.08652	44.5
167.07117	2.4
172.03935	31.0
172.07567	4.2
172.11125	2.0
174.05528	14.2
174.09100	2.8
176.07091	13.8
177.05531	2.2
178.04980	4.0
178.08691	3.3
180.10156	2.7
184.09882	2.0
186.05507	4.8
186.09142	4.1
187.06235	2.0
188.07059	4.5
190.05008	26.6
192.06599	4.9
194.08170	3.3
197.10786	2.5
199.12337	3.7
200.07037	3.6
204.06561	30.6
209.10780	3.0
211.08725	3.3
211.12325	2.9
212.09331	2.2
214.08769	2.9
216.10252	2.3
218.08199	3.5
220.06099	2.5
221.10623	2.7
223.08702	1.9
223.12311	3.8
225.10228	10.9
225.13731	1.8
226.10899	2.9
227.11801	18.2
229.13422	1.9
232.09685	1.9
233.10902	1.9
235.08675	3.8
235.12402	2.4
236.09415	6.4
237.10252	11.7
238.11006	5.2
239.11774	9.4
240.12560	2.7
241.13446	3.4
241.91281	1.5
245.12875	4.7
246.11325	2.5
248.09320	2.3
249.10249	10.3
250.10954	8.2
251.08211	4.8
251.11815	17.0
252.08917	2.4
252.12717	4.6
253.09677	7.5
253.13368	5.3
255.11261	12.3
260.09164	2.4
261.10254	6.3
262.11047	7.0
263.08026	2.5
263.11798	18.4
264.08835	7.0
264.12595	5.0
265.09732	19.1
265.13312	6.0
266.10608	9.1
266.13776	1.6
267.11285	18.4
268.11969	2.9
269.09177	1.6
269.12778	7.8
271.10794	3.5
272.05652	2.8
273.09988	1.4
273.12454	11.7
275.11740	6.6
275.14554	1.6
276.12607	3.2
277.09753	18.4
277.13324	5.9
278.10562	8.4
279.11310	30.7
280.08234	5.9
280.11960	8.1
281.12778	14.0
282.09988	1.7
283.10742	2.8
285.12308	4.1
289.09671	6.8
289.12750	2.2
290.10410	2.9
291.11255	16.9
292.08316	1.9
292.11902	4.7
293.09213	16.1
293.12857	9.2
294.09909	5.4
295.10767	6.9
296.11563	2.2
297.12369	12.6
298.12881	2.0
299.14014	5.7
301.09653	2.1
302.10464	2.3
303.11365	9.5
304.11679	2.2
305.09189	11.0
305.12900	4.4
306.09921	5.8
307.10782	18.5
307.14249	2.6
308.11572	2.9
309.09103	2.8
309.12323	14.7
310.13193	2.2
311.10526	2.9
311.13934	8.7
317.09308	3.7
317.12616	2.7
318.09933	2.3
319.10892	11.7
320.11319	3.3
321.08731	2.8
321.12201	11.0
322.09268	3.6
322.12643	3.1
323.10269	9.2
323.13712	3.1
325.11838	20.1
326.12369	2.2
327.13498	5.0
330.09848	2.4
331.10651	4.1
332.07321	3.1
333.12387	3.1
334.08911	2.1
335.10376	5.0
335.13919	1.9
336.11057	1.7
337.11719	5.1
338.12411	2.8
339.13455	6.7
341.15436	2.2
342.15909	2.6
345.08395	2.0
345.12180	2.2
347.10178	5.4
348.11072	2.5
349.11774	4.6
351.13602	2.6
355.16718	1.8
356.13824	4.0
357.14462	4.9
359.10065	2.0
359.16458	2.8
363.09671	3.8
363.13541	4.2
365.11285	4.1
367.12973	3.6
369.14584	3.4
379.13037	3.4
381.14532	4.2
384.17172	2.9
386.18790	2.3
391.09067	7.5
393.10489	2.0
393.14896	2.1
395.16281	2.0
398.14969	4.4
399.15683	4.9
400.16565	5.8
411.15610	3.2
412.16357	3.7
416.15375	2.3
421.14047	2.4
423.15784	1.8
428.15463	1.9
430.17917	3.9
432.19193	2.9
433.10089	4.3
437.13248	2.8
439.11136	2.5
441.16586	4.0
442.17725	3.2
444.19089	2.4
451.11038	2.7
458.16885	3.5
465.16672	3.1
467.14505	5.0
469.16025	2.0
471.17621	2.6
481.15851	5.0
484.13870	2.2
493.12231	2.4
497.15591	2.5
509.15759	2.8
556.21204	3.0
571.19653	1.7
578.25421	1.8
584.20380	2.0
590.24530	2.4
592.23212	2.7
593.24127	2.7
602.21057	5.3
604.22729	2.7
606.24127	5.2
613.17126	2.4
618.24524	7.5
620.22260	2.2
622.23267	3.4
625.16455	3.4
632.22162	2.4
634.23993	9.8
636.23950	2.6
637.16083	2.7
643.17328	4.2
646.20050	3.0
655.17737	2.8
657.19550	2.6
662.23425	3.0
663.24084	3.1
664.23724	2.0
666.25903	5.6
669.19556	2.1
673.26373	3.2
687.19891	3.4
691.27911	9.1
694.25745	3.7
695.26202	2.9
708.23486	4.3
709.28088	6.6
712.23175	2.0
718.25275	2.2
719.26660	5.4
721.29401	1.7
723.30273	4.0
726.22766	2.0
727.29657	2.8
728.24750	2.6
730.21100	1.6
736.25189	2.3
737.27966	5.3
739.29596	1.9
740.26471	2.3
741.31073	2.7
744.23132	3.6
746.25769	3.0
748.23248	2.7
754.21790	2.7
755.16418	2.8
755.29248	55.7
756.30060	13.1
757.30457	8.9
760.23456	2.5
762.24426	3.1
764.26929	8.8
768.25513	1.9
769.27313	1.9
772.23181	14.8
774.24677	3.7
778.24103	6.8
780.26544	8.1
781.26471	2.6
787.30743	7.6
790.24524	16.1
791.24524	5.2
792.26038	6.2
808.25562	100.0
809.26495	25.8
810.27301	9.2
822.25781	4.1
823.27924	2.2
824.29065	2.7
840.28473	17.4
841.28467	6.2
867.30530	2.8
885.30762	2.6
895.29449	6.0
899.32751	3.4
903.32013	3.0
913.30566	3.5
917.33759	2.1
931.32513	23.4
963.37305	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	963.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	3.3
69.03423	5.8
70.06580	7.7
71.51334	2.7
71.51719	2.9
79.05481	5.5
80.05032	3.4
81.03409	8.4
81.07040	4.1
82.06583	2.4
84.08136	2.5
85.02902	6.5
89.03915	3.7
91.05466	9.5
93.05791	6.7
93.07054	6.8
94.06571	17.9
95.04966	3.5
95.07367	5.3
95.08588	2.0
96.08154	13.7
97.02876	4.6
97.06557	2.4
103.05457	4.2
105.07010	3.9
106.06540	5.2
107.04948	5.4
107.07343	4.9
108.04465	4.8
108.07430	3.3
108.08124	38.7
109.02861	4.6
110.09697	20.4
110.43127	2.0
116.04961	9.2
117.03360	2.3
118.06516	5.3
119.04903	5.7
120.04438	7.8
120.08118	25.3
122.06049	26.8
122.09648	8.2
124.07588	10.2
127.03906	4.7
129.10216	2.5
132.04439	3.0
132.08093	4.6
134.06018	13.4
136.07597	49.6
137.05981	2.8
138.05464	3.0
138.09132	35.6
141.01768	2.5
144.04425	16.2
144.08116	4.0
145.02844	6.3
146.06024	29.3
148.07613	20.3
150.09145	13.5
152.07082	7.7
160.03912	8.8
160.07591	4.0
162.05511	11.7
162.09103	3.6
164.07060	6.0
166.08638	41.0
172.03947	56.7
172.07513	5.1
174.05492	18.4
174.09134	4.7
176.07037	12.1
177.05463	17.5
178.05028	3.7
180.10176	2.2
184.07613	2.4
186.05595	4.5
186.09203	3.6
188.07024	3.2
190.05011	40.0
192.06500	3.3
197.10689	2.6
199.12228	5.4
202.08647	4.1
204.06580	41.0
204.10303	3.6
206.08125	5.9
207.06590	4.7
209.10718	4.4
210.09106	3.7
211.08714	3.3
211.12311	3.4
212.09302	3.1
213.10382	2.7
218.08099	3.7
221.10796	3.4
223.08537	2.9
223.12270	5.2
225.10272	14.0
226.10977	3.2
227.11778	30.1
228.06529	2.8
230.08044	3.2
232.09718	2.7
235.08641	3.2
236.09322	3.2
237.10199	11.5
237.13824	3.4
238.10924	4.8
239.11844	13.1
240.12466	2.4
245.13124	2.5
246.11211	2.9
248.09248	3.4
249.10196	9.3
250.10982	3.2
251.08141	3.4
251.11847	20.9
252.09042	5.1
252.12502	2.7
253.09668	11.0
253.13322	6.1
255.11307	23.1
261.10355	4.3
262.10849	3.2
263.08145	2.4
263.11761	12.9
264.08978	6.9
264.12579	4.1
265.09738	20.9
265.13358	7.0
266.10553	8.6
267.11276	19.9
269.09531	2.5
269.12769	6.1
271.10843	4.8
273.12411	13.4
275.11838	4.0
276.12317	2.3
277.09818	11.4
278.10498	8.3
279.11337	28.5
280.08542	3.2
280.11920	7.6
281.12802	7.9
283.10815	3.9
283.14175	2.9
285.12393	6.3
287.05484	9.1
287.14145	2.4
289.09589	4.2
290.10751	2.4
291.11215	6.5
293.09131	13.3
293.12827	7.1
295.10690	4.9
297.12399	16.7
299.13934	5.4
303.11179	4.0
305.09204	7.8
305.12601	2.7
306.09952	4.3
307.10831	17.7
309.12347	5.6
311.13998	4.1
314.12897	2.4
319.10666	6.1
321.12326	13.2
323.10156	7.9
325.11935	22.9
327.13510	7.7
335.10114	4.5
336.10757	3.1
337.11853	4.2
339.13525	5.6
341.15460	3.4
342.12430	3.9
342.16196	4.3
343.13049	6.4
347.10312	4.5
354.16153	4.5
355.13269	3.1
356.13812	5.4
357.14481	9.4
358.15463	6.3
363.09500	3.3
363.13510	3.2
365.11191	4.3
369.14771	3.2
370.15601	3.2
371.16220	2.9
372.17010	4.1
381.14487	7.3
382.15543	3.5
385.14029	7.2
386.14868	9.1
387.15350	4.1
388.16617	3.1
398.15088	8.7
399.15460	9.2
400.16507	13.6
414.18079	4.3
416.15518	3.0
418.17325	2.6
427.14658	4.4
431.17801	3.3
432.19247	3.0
439.15018	5.3
440.16141	3.4
441.16861	3.6
444.19043	3.2
458.17319	4.4
465.16327	3.4
469.15967	4.0
527.21521	2.7
558.21619	2.4
560.19714	3.3
586.21735	2.5
590.24341	3.9
606.24561	5.6
616.19373	3.4
618.24054	4.3
622.23511	7.9
634.23846	8.1
654.26605	3.1
663.23462	4.4
666.25928	3.4
695.27600	2.8
712.21014	3.8
718.21747	5.3
730.21765	8.4
736.67004	2.8
737.28156	4.8
742.22510	3.2
748.22717	6.9
751.25726	3.8
755.29254	100.0
756.29993	34.1
757.30231	9.5
760.23151	5.0
762.24524	2.8
765.26599	8.7
767.24603	4.0
772.23456	3.0
780.26154	5.1
781.25726	2.4
787.31915	15.0
788.31995	7.9
792.25507	4.3
808.25439	42.7
809.26624	17.8
810.27063	5.3
811.26337	6.6
829.25781	3.5
831.28943	5.3
840.27814	9.9
841.27997	6.3
849.28497	7.2
867.30206	11.7
877.28284	9.3
885.31403	4.9
895.29877	13.4
913.31323	58.1
931.32373	29.2
933.64563	2.6
945.33252	7.1
963.36237	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	963.6018
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	2.6
69.03433	2.8
69.07081	1.0
70.96053	0.7
71.05035	0.3
71.32832	0.3
72.42100	0.3
73.02927	3.8
79.05510	0.8
81.03417	1.7
81.07063	3.2
83.08624	0.8
85.02911	5.6
87.04485	0.7
91.03967	3.4
91.05524	0.7
93.07063	1.4
95.08593	2.7
97.02893	4.6
97.10197	0.6
97.93194	0.4
99.04468	0.7
101.02366	2.1
103.04009	0.4
105.07066	0.8
109.02917	1.0
109.10169	0.9
121.10160	0.5
123.11678	0.5
127.03925	1.6
133.10178	0.5
145.04945	0.4
157.06653	0.4
181.46637	0.4
185.04243	0.7
203.05354	0.7
243.08432	2.0
337.27637	0.7
347.09674	1.7
365.10696	0.9
405.13712	5.2
521.30896	5.7
656.88855	0.4
683.36182	8.7
801.54968	0.9
963.60175	100.0
964.60364	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	964.6207
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	49.5
69.03413	6.3
69.07070	22.4
70.08511	5.6
70.08916	9.7
71.04971	4.5
71.08636	27.1
77.46066	2.5
79.05499	35.4
81.03407	8.9
81.07059	48.2
83.04969	8.0
83.08614	17.8
85.02894	11.4
85.06550	4.3
85.10177	19.7
91.03950	4.5
91.05479	33.8
93.07041	37.7
95.04960	6.0
95.08611	45.0
97.02886	8.5
97.06540	9.1
97.10143	7.7
99.04453	3.0
105.07033	28.9
107.04945	5.7
107.08580	22.4
109.06519	3.5
109.10149	19.5
111.08060	3.1
117.07013	11.9
119.08586	18.2
121.10116	9.9
121.66003	2.6
123.08099	2.8
123.11716	6.7
127.03905	4.5
129.06979	3.8
131.08583	16.7
133.10144	15.3
135.08017	3.3
135.11690	11.7
143.08519	4.0
145.04965	4.7
145.10126	11.8
147.11679	9.3
149.09621	10.0
149.13235	8.0
157.10168	4.0
159.11699	10.7
163.11189	3.1
173.11798	3.8
173.13223	5.3
185.13358	3.0
195.13843	4.1
199.14746	3.1
227.12776	4.0
229.14420	6.0
239.23624	3.5
255.15881	15.0
257.18991	9.4
257.24368	2.8
269.17532	32.8
270.07901	3.3
275.17239	3.7
275.20029	24.8
291.19415	4.3
309.20554	6.3
313.27380	100.0
349.23785	25.5
353.74741	2.7
493.38995	16.2
507.40530	78.8
508.40564	2.7
527.31970	3.4
547.43445	24.4
587.46637	39.6
605.47430	10.8
993.98383	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	967.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	1.2
69.62755	1.4
69.63173	1.1
70.06581	0.8
73.93696	0.4
74.06057	0.4
77.03895	0.4
78.11256	0.4
79.05490	2.6
81.03423	2.7
83.79494	0.4
84.08122	0.6
85.02904	2.3
86.09702	0.8
88.59000	0.4
91.05478	6.8
95.04980	2.6
97.02867	2.0
99.04465	1.0
105.04518	1.1
107.04954	82.9
108.05315	2.1
108.05930	0.4
109.02881	3.2
117.06985	0.5
117.73524	0.3
127.03890	3.8
129.10162	0.4
136.86803	0.4
137.05946	0.4
145.04979	1.1
157.03433	0.5
157.06326	0.7
161.03027	0.4
161.06003	1.9
167.06969	0.6
169.04964	0.7
171.04425	1.0
175.91490	0.5
179.07076	1.0
187.06029	0.4
191.03183	0.7
201.05237	3.2
209.04257	1.0
227.05266	1.5
240.27264	0.4
247.05791	20.7
269.06476	1.8
287.07388	4.9
289.06824	10.9
355.07990	0.4
373.08975	3.4
391.09998	1.3
409.11169	0.8
415.10016	7.6
415.15085	0.7
418.02960	0.4
433.11044	14.1
475.12088	13.3
493.13174	27.4
494.13712	0.8
515.15155	7.0
567.45038	0.4
637.16669	0.6
699.18951	100.0
700.19287	3.5
743.21570	1.0
761.22797	0.8
805.23145	4.1
819.28864	0.5
821.45404	0.5
854.09686	0.5
861.24194	4.6
967.28625	23.2
967.50476	3.0
968.28955	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5939
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	22.7
69.07070	8.9
71.04957	1.1
74.79580	0.9
79.05499	20.8
81.03419	1.4
81.07061	31.9
83.04966	1.9
83.08623	3.2
85.02931	1.0
85.06555	1.9
91.05488	24.1
93.07053	22.6
93.96156	0.8
95.01334	2.2
95.04976	3.5
95.08612	20.4
97.06525	4.2
97.10137	1.4
103.05460	1.3
105.04533	0.8
105.07037	24.6
105.07685	0.9
107.04922	5.3
107.08599	12.2
109.06527	4.4
109.10152	6.2
110.45258	0.9
111.08104	1.3
115.05473	1.0
117.07034	8.1
119.07813	1.7
119.08595	17.3
121.06495	1.5
121.10158	8.1
123.08112	1.9
123.11721	1.4
131.08569	11.2
133.10136	15.0
135.08017	1.0
135.11713	4.1
137.09627	2.4
143.08620	1.2
145.10146	8.5
147.11705	6.2
149.09645	2.2
149.13249	2.1
150.12633	1.0
159.11723	4.9
161.13312	2.1
169.10121	0.9
171.11684	1.2
173.13315	2.1
179.14297	2.5
185.13197	1.1
201.16373	2.3
219.17459	38.4
223.40926	0.9
240.64771	0.8
257.19016	1.7
275.20084	20.7
288.99179	0.9
293.21204	1.4
317.24652	0.9
335.25824	41.6
336.26437	0.9
349.23743	16.4
526.67059	1.0
609.45160	100.0
610.45422	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	969.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99241	0.6
69.03427	2.5
71.50878	0.9
79.05502	2.2
80.05015	0.8
80.64162	0.7
81.03437	1.2
85.02905	3.8
91.05480	2.2
93.07046	1.8
94.06569	5.0
95.04988	0.9
95.07385	2.1
96.08135	6.2
97.02899	1.9
103.05494	1.1
106.06570	2.5
107.05035	0.7
107.07350	1.4
108.08115	11.5
109.02896	0.9
110.09683	10.1
116.04985	1.3
118.06573	0.9
120.04497	2.3
120.08107	10.7
122.06030	8.0
122.09669	2.6
124.07615	6.3
127.03918	1.2
132.08109	1.6
134.06032	2.2
136.07588	18.5
137.06004	2.2
138.09140	16.7
144.04475	2.5
146.06015	6.8
147.04480	0.9
148.07585	12.7
150.09152	9.2
152.07072	14.2
157.92383	0.7
158.06075	0.8
160.03940	1.5
160.07654	1.0
162.05536	1.7
162.09073	1.1
164.07080	6.1
166.08650	39.6
167.07118	1.3
168.10272	0.7
172.03935	19.1
174.05530	1.8
174.09183	1.4
176.07115	2.5
178.04984	0.8
181.04919	0.9
182.08179	1.4
190.04984	13.9
190.06535	1.0
192.06592	1.0
197.10753	1.5
198.11571	2.3
199.12280	1.4
204.06584	28.0
209.10765	1.2
210.11568	2.9
211.12334	4.8
212.13084	1.2
213.10313	1.9
213.14000	0.9
218.08209	1.2
221.10889	0.7
223.08713	1.0
223.12198	3.8
224.09438	1.0
224.13048	1.5
225.10233	7.7
225.13881	2.0
226.11020	3.8
227.11757	4.4
229.09702	1.2
229.13434	1.3
235.08719	1.6
235.12296	1.6
236.09462	1.2
237.10225	5.6
237.14000	1.6
238.11003	5.9
239.11815	11.3
240.12616	1.4
241.13437	2.1
243.11217	0.9
245.12798	0.8
246.07710	1.4
248.09525	1.5
249.10243	7.5
250.10930	5.9
251.08171	2.0
251.11830	14.2
252.08981	1.5
252.12523	3.6
253.09839	3.1
253.13374	4.6
255.11298	3.6
256.12018	1.5
257.12863	1.9
259.14493	0.8
262.11035	1.3
263.11829	16.6
264.08972	2.7
264.12683	3.0
265.09827	8.6
265.13449	11.4
266.10577	4.6
266.14362	0.8
267.11301	16.5
268.12067	2.3
269.12872	5.0
271.10825	2.9
271.14410	3.7
273.12439	3.4
277.09738	2.5
277.13300	0.8
278.10516	3.4
279.11295	26.4
280.11920	4.2
281.12842	11.3
282.10019	1.8
282.13470	1.0
283.10883	5.5
283.14182	1.3
284.11597	8.2
285.12360	33.2
286.12894	1.6
287.05563	0.9
287.13962	2.6
289.15546	2.3
291.11282	15.9
292.12027	4.3
293.09558	1.2
293.12827	12.6
294.09906	0.9
294.13593	0.9
295.10834	3.6
295.14224	1.2
296.11545	4.3
297.12354	36.9
298.13190	4.4
299.13922	8.4
304.08365	0.9
307.10846	2.8
309.12292	20.0
310.13013	3.7
311.10336	3.5
311.13940	5.1
313.11777	1.3
317.15131	0.8
319.10770	9.9
321.12421	8.9
323.10324	9.2
323.13953	1.4
324.11234	1.4
325.11844	22.1
326.12546	1.6
327.13394	11.6
328.14154	1.4
337.11829	51.4
338.12457	3.2
339.13531	5.8
341.11560	1.5
341.15039	1.4
342.16159	0.9
343.13120	2.5
346.19568	0.8
351.13504	1.5
355.13062	2.4
357.14471	11.2
358.15485	1.3
359.15958	2.7
369.14386	4.8
370.15417	1.5
371.16159	2.3
372.17065	1.9
373.13916	1.1
374.18747	1.0
376.16266	0.9
385.14020	1.3
388.16486	1.0
390.18188	1.7
392.19720	1.0
399.15683	1.3
400.16489	1.6
401.17346	0.7
402.18063	2.2
404.19748	2.9
406.17691	1.2
412.16727	1.2
414.18173	1.3
416.20041	1.3
418.17325	1.5
420.19159	1.4
422.20862	2.8
430.17426	4.1
431.18546	0.7
432.19174	5.0
433.19626	1.0
434.20581	1.0
436.19144	1.3
442.17688	2.1
444.19281	1.8
446.20938	2.6
448.18695	13.1
449.19550	8.9
450.20212	9.9
459.18005	1.1
460.18726	10.8
461.19556	2.0
462.20432	4.3
463.20847	1.4
469.16367	0.9
472.18655	2.1
474.20441	4.6
476.17844	3.6
477.18921	4.0
478.19812	3.5
480.21313	2.8
487.17065	5.4
490.19714	25.1
491.20624	2.6
492.21344	11.3
506.22888	1.5
519.20111	0.9
522.22351	14.6
523.23193	9.8
524.23962	6.7
567.26080	1.4
594.24512	1.9
595.25616	6.8
608.26312	1.2
611.25128	1.3
612.25232	3.3
613.26605	100.0
614.26788	5.0
616.22211	0.8
622.22760	0.9
634.23883	2.9
636.25476	1.6
645.29175	25.8
646.28888	1.6
652.25092	22.5
653.25812	6.5
654.26654	4.0
684.27667	11.4
685.28302	6.1
686.28809	1.6
712.81140	0.8
739.29456	1.9
757.30872	1.8
760.08380	0.7
775.31842	39.7
776.31750	3.3
778.28003	1.3
796.29205	1.3
807.34662	8.7
814.30316	2.2
852.45581	0.8
859.77521	0.8
937.36298	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	969.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	4.0
67.29232	1.6
69.03418	7.7
70.06588	6.0
71.04979	2.4
71.51056	2.6
73.02925	2.0
79.05485	5.6
81.03421	9.8
82.06577	2.8
84.08154	3.3
85.02916	11.9
89.03909	2.2
91.05490	3.7
93.07056	8.6
94.06565	14.3
95.04940	3.3
95.07352	8.1
96.08135	22.3
97.02900	5.3
97.06541	2.1
99.04470	3.2
103.05487	4.5
106.06570	7.6
106.26148	1.8
107.04972	3.5
107.07341	3.3
108.04526	4.2
108.08121	45.2
109.02868	6.8
110.06015	2.1
110.09686	42.9
118.06569	1.9
118.07340	1.9
119.07316	2.0
120.04402	3.6
120.08105	35.7
122.06039	20.1
122.09673	8.9
124.07608	9.2
127.03925	5.7
130.06570	1.7
132.08105	2.9
134.06033	5.0
136.07579	40.8
137.05986	3.8
137.08302	3.2
138.05475	2.0
138.09138	61.2
144.04420	4.1
145.02892	3.0
146.06035	11.4
147.04449	5.1
148.07573	26.4
150.05534	2.4
150.09148	17.5
151.03885	3.0
152.07060	24.1
160.03937	6.5
160.07579	6.4
162.05524	5.1
162.09140	2.9
164.07098	8.0
166.08647	100.0
167.07037	12.3
168.10239	5.7
172.03947	28.8
174.05537	5.5
174.09129	2.8
176.07013	2.6
177.05469	3.0
180.10233	2.2
184.09804	1.8
190.04999	23.9
192.10110	2.6
196.09857	2.3
197.10767	5.1
198.11444	2.2
199.12276	3.0
202.08661	2.1
204.06551	39.0
207.06628	2.3
208.09831	4.9
209.10785	2.4
210.11479	4.3
211.08687	3.5
211.12236	12.9
212.13104	2.4
213.10197	5.4
220.09796	2.1
221.10742	2.6
223.08641	8.7
223.12268	9.2
224.09435	3.3
224.12914	1.9
225.10233	35.9
225.13788	4.4
226.10823	8.6
227.11838	17.4
229.13385	3.9
235.08698	2.8
236.09456	2.8
237.10217	32.0
237.13853	4.2
238.10974	20.4
239.08093	6.1
239.11784	48.9
240.12572	10.4
241.09688	2.0
241.13368	7.7
245.12953	2.4
249.10201	14.9
250.10912	10.5
251.08205	12.3
251.11824	52.3
252.09018	5.6
252.12459	9.6
253.09744	23.2
253.13377	28.0
254.10510	9.7
254.14023	3.0
255.11342	5.6
255.15034	3.0
257.12894	2.4
263.11832	29.9
264.08997	7.9
264.12552	11.6
265.09729	51.0
265.13348	34.3
266.10477	19.9
266.14133	8.9
267.11325	36.1
267.14606	4.2
268.12006	3.5
269.12878	9.7
270.13385	2.6
271.10797	8.3
271.14447	6.1
273.12335	6.5
275.11685	2.3
276.12604	4.6
277.09674	9.3
277.13339	7.3
278.10361	10.0
279.11301	62.0
279.14413	3.1
280.09396	2.2
280.12039	10.7
281.12845	38.1
283.10803	21.9
283.14294	9.3
284.11484	5.7
285.09180	2.3
285.12332	47.4
286.13071	5.3
287.05515	3.5
287.13898	5.6
289.79346	2.2
290.10251	2.3
291.11246	22.1
292.11963	6.6
293.09653	2.6
293.12827	27.5
294.13785	2.8
295.10815	10.0
295.14429	9.3
296.11450	4.4
297.12357	40.5
298.13126	9.8
299.13919	29.6
300.14825	2.6
301.15475	6.4
303.04419	2.0
303.11029	2.6
305.09344	2.7
305.12762	3.1
307.10822	15.7
308.11414	2.7
309.12402	28.2
310.12943	18.7
311.10507	3.5
311.13895	33.1
312.14432	3.5
313.12158	3.6
313.15561	6.8
315.13751	3.1
316.14011	2.0
319.10773	18.9
320.11700	2.8
321.12338	16.2
323.10251	7.8
323.13776	3.9
325.11829	38.0
326.12503	9.8
327.13412	68.0
328.13818	5.4
330.15936	2.6
331.16611	3.3
335.14069	2.4
337.11859	16.2
338.12637	14.1
339.13379	30.8
341.15033	7.8
343.13058	3.4
344.17563	3.0
351.13419	6.1
353.14935	5.0
355.12930	4.2
357.14557	25.5
358.15265	6.8
359.16223	10.8
360.16705	2.4
363.13171	2.3
365.14798	3.0
367.12973	3.2
369.14505	12.0
370.15167	4.8
371.16153	10.3
372.17014	5.4
374.18634	3.0
376.20642	2.1
379.12857	4.7
381.14282	3.7
383.15912	4.3
386.18744	3.9
387.15375	4.4
390.18158	3.6
392.19998	2.2
397.13669	2.2
399.15335	4.0
400.16507	6.0
401.17056	3.2
402.18100	3.9
404.19730	6.6
407.15891	2.1
411.15485	10.7
412.16589	5.8
413.17197	4.6
414.18048	3.2
415.18723	2.7
416.20181	3.8
418.17548	9.6
422.21191	2.3
423.15524	4.1
425.17087	4.0
429.16504	9.4
430.17612	8.3
431.18414	3.1
432.19266	9.1
433.19693	4.4
434.20651	2.2
435.15076	3.9
439.14865	5.7
441.16458	7.9
442.17578	5.1
443.18350	5.0
444.19070	3.2
446.20627	6.7
447.17300	4.4
448.18625	6.1
450.20163	5.5
451.14844	2.9
451.20630	2.8
453.16394	7.8
455.17957	3.5
458.17023	3.2
459.17816	4.3
460.18582	4.1
461.19574	1.9
462.20013	5.3
463.14999	3.6
464.21881	6.7
465.22528	5.9
466.23114	3.9
469.15991	8.4
471.17596	10.1
472.18719	5.2
473.19339	3.6
474.20279	9.7
480.21362	3.7
481.16187	18.6
483.17496	4.9
487.17233	8.8
489.18497	2.2
490.19751	16.0
491.20337	22.6
492.21341	59.7
493.21744	3.2
499.16940	11.4
501.18683	4.6
506.22974	2.1
509.21469	4.9
519.19879	2.6
522.22571	8.5
523.23163	66.9
524.23956	51.2
533.20990	2.9
548.23199	2.2
556.20660	3.0
572.23834	5.4
574.22241	6.6
576.22821	2.4
585.26807	2.5
586.21637	5.6
587.28241	6.4
588.23474	4.0
590.25250	3.1
592.22614	8.9
594.24371	9.4
595.25311	4.9
600.23523	2.9
604.22577	8.3
606.24243	6.5
608.26019	6.5
610.23608	3.1
613.26575	55.6
614.26355	4.0
616.23090	4.6
618.24341	4.2
622.23688	8.7
624.25287	8.2
634.23944	33.1
635.24567	5.7
636.25610	14.7
645.18689	3.7
645.29266	72.4
652.24902	42.1
653.25824	63.9
654.26788	22.7
655.27234	7.1
666.25745	7.4
668.28552	2.3
684.27356	7.8
685.28516	37.9
686.28455	6.7
695.31091	2.7
721.28668	12.3
739.29950	12.7
743.32483	3.3
753.30908	4.3
756.29199	4.5
757.17438	2.7
757.30756	47.5
758.30383	2.5
761.33478	2.1
770.30829	5.1
771.31567	3.9
775.31830	34.0
789.33185	9.5
796.29309	25.5
797.29346	3.6
807.34430	8.8
814.15662	3.1
814.30194	32.9
815.30463	6.1
828.31476	4.2
846.31781	7.4
847.32483	4.2
883.34058	4.1
919.35883	16.9
937.37122	11.0
951.37738	3.7
969.35388	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	969.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	2.4
69.03429	1.0
70.06567	0.8
71.47481	0.7
71.47823	0.8
79.05503	1.3
80.05016	0.9
85.02917	2.5
91.05476	2.7
92.53902	0.7
93.07047	2.5
94.06573	6.5
95.07352	3.9
96.08128	5.9
103.05452	1.0
107.04974	0.9
108.04496	1.9
108.08105	6.0
110.09685	13.8
120.08107	9.3
122.06049	10.3
122.09686	1.9
124.07571	0.9
127.03976	1.2
131.04922	1.0
134.06012	3.2
136.07578	6.7
137.05978	2.2
138.09142	16.5
146.06024	1.0
147.04454	1.2
148.07565	3.8
150.09175	5.0
151.03909	0.9
152.07077	3.4
160.03955	6.8
164.07098	3.7
166.08652	25.7
167.07089	1.2
172.03906	2.0
177.05463	0.9
178.04977	0.8
181.04736	0.7
190.05022	2.6
190.38419	0.8
199.08772	1.6
204.06606	2.7
211.08727	1.1
211.12354	2.1
213.10210	2.6
223.08650	2.8
223.12430	1.7
225.10242	12.7
226.11014	5.7
227.11819	3.4
235.08760	1.4
235.12260	1.8
236.09552	1.0
237.10310	5.2
237.13826	1.8
238.11014	3.9
239.08298	4.1
239.11795	13.4
240.12567	4.0
241.09610	1.3
241.13365	1.5
248.09451	1.4
249.10255	6.0
250.10959	5.1
251.08173	3.1
251.11827	16.7
252.12601	4.4
253.09796	3.2
253.13396	8.9
254.10556	8.6
255.11258	1.4
257.12958	1.1
263.11841	10.4
264.09839	1.1
264.12634	7.4
265.09818	5.5
265.13373	20.8
266.10489	2.4
266.14142	1.9
267.11285	7.9
267.14777	1.7
269.09351	0.8
269.12848	1.1
271.10892	2.5
277.09781	2.5
277.13293	1.3
278.10416	1.0
279.11276	8.7
280.12030	1.9
281.12842	12.4
282.13718	2.2
283.10825	5.5
283.14435	4.3
284.11578	1.8
285.12378	11.0
286.13168	2.1
287.05499	1.1
291.11148	4.0
292.12039	2.0
293.09476	1.3
293.12766	7.0
294.13559	2.1
295.10809	3.2
295.14389	1.5
296.11530	4.0
297.12302	7.6
298.13062	2.2
299.13928	14.7
307.10495	2.0
309.12354	58.2
310.13092	4.3
311.10260	1.3
311.13889	24.1
312.14160	1.1
313.11896	1.2
319.10681	2.8
320.11633	1.1
321.12350	4.9
323.10373	1.5
324.11044	2.1
325.11899	2.7
326.12387	1.6
327.13403	75.5
328.13745	2.2
337.11819	12.3
338.12585	8.8
339.13437	15.4
339.80173	0.9
341.15082	4.3
343.12762	0.9
351.13708	0.9
353.14755	0.9
356.13644	1.0
357.14664	4.1
358.15363	2.1
359.15936	6.3
369.10486	0.6
369.14474	28.2
370.15393	3.9
371.16040	35.8
372.16592	1.6
386.18689	1.2
400.16437	1.1
402.18018	1.2
404.19708	2.4
414.18036	2.4
416.19748	11.4
430.17636	3.4
432.19330	5.6
442.17572	2.9
443.18216	1.3
448.18640	13.3
451.13861	0.9
460.18701	47.1
461.18893	2.9
471.17560	1.9
474.20007	2.3
478.19931	1.0
480.21350	43.1
481.21683	3.1
490.19705	1.9
492.21332	100.0
493.21588	4.9
506.23044	0.9
515.19604	1.1
522.21973	1.6
524.23615	1.8
595.25403	3.0
613.26593	55.5
614.26776	2.7
624.25470	2.0
627.27972	2.4
634.23798	2.1
636.25140	3.6
645.29236	22.6
646.29297	1.3
652.24377	1.4
654.26843	3.7
757.30139	3.0
771.31494	0.9
775.31299	2.0
793.39539	1.1
796.28644	1.9
814.29962	1.5
922.42084	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
68.06722	3.5
69.03425	6.3
69.07060	20.4
73.02906	8.4
73.83890	2.9
79.05494	81.7
79.41763	3.3
81.07063	93.9
83.04960	4.8
83.08598	9.9
85.02923	24.0
85.06546	5.1
91.03952	7.2
91.05484	82.6
93.07051	92.3
95.04978	6.8
95.08618	66.5
97.02909	9.5
97.06541	4.8
97.10150	6.7
98.21626	6.6
105.07035	74.7
107.08605	49.7
109.06532	6.8
109.10171	30.8
111.11698	3.8
113.09658	3.5
115.05474	4.1
117.07021	24.2
119.08579	70.6
121.10156	35.5
123.11691	7.5
127.03888	3.4
129.06978	11.9
131.08569	36.3
133.10155	55.1
135.11691	26.9
137.13245	4.5
143.08583	13.8
145.10130	38.6
147.11710	34.1
149.13248	11.9
150.28011	3.9
151.59846	3.8
157.10121	15.1
159.11705	23.8
161.13278	27.7
163.06062	6.9
163.14822	7.0
169.10132	8.3
171.11719	13.7
173.13280	24.2
175.14784	12.3
183.11656	4.8
185.13272	11.9
197.13307	5.6
199.14880	6.3
201.16255	4.2
207.11867	3.6
213.16350	6.6
225.69908	3.7
231.21082	9.3
239.18181	4.4
241.19632	21.7
243.21227	3.7
257.19031	8.9
259.20615	73.0
261.22223	12.6
275.55768	3.8
315.23227	3.9
331.22525	5.5
333.20404	5.5
333.24283	65.1
335.25845	84.6
335.29825	4.3
336.25970	5.6
337.27402	6.4
367.22647	4.6
385.23572	3.7
401.76102	3.5
519.42151	9.0
541.38934	4.1
593.45569	17.9
611.46643	100.0
696.92914	3.8
700.98706	4.1
701.46564	4.1
835.90491	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	970.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	4.3
69.07070	20.4
69.66932	5.0
71.04980	2.3
71.08618	0.9
73.02908	1.8
77.03931	1.4
79.05496	53.7
79.20390	0.8
79.59528	0.8
81.03409	3.8
81.07057	68.9
83.04981	5.1
83.08625	12.7
85.02905	10.4
85.06531	3.5
91.03949	5.9
91.04900	1.9
91.05481	39.0
93.07046	58.7
95.04978	4.7
95.08610	51.4
96.04507	0.8
97.02879	5.7
97.06548	6.3
97.10150	5.0
98.20682	0.9
99.04485	1.5
99.08070	2.7
103.05490	1.1
105.04496	2.1
105.07038	35.4
107.04946	1.1
107.08601	34.0
109.02851	1.0
109.06528	3.7
109.10161	29.2
111.08100	3.6
111.11730	1.0
113.09628	1.2
115.05455	1.1
117.07037	9.5
119.08587	26.7
119.83464	0.9
121.06511	1.3
121.10150	27.0
123.08084	2.7
123.11729	8.1
125.09644	3.2
127.03893	1.9
128.06230	0.8
129.05525	1.1
129.07018	5.0
130.07776	1.0
131.08569	19.4
133.10133	23.6
135.07994	0.9
135.10710	1.0
135.11703	17.1
137.09619	1.4
137.13243	3.3
138.83240	1.0
139.11214	1.2
143.08615	5.3
145.04942	2.6
145.10133	12.3
147.08044	1.0
147.11679	20.5
149.09618	1.8
149.13271	9.6
151.11198	2.0
157.10121	5.1
159.11690	12.0
161.13258	12.0
163.06047	1.9
163.11226	1.8
163.14836	3.9
165.12779	2.2
169.10123	1.3
171.11743	5.4
173.11813	1.4
173.13261	8.3
175.14851	4.3
177.16371	1.3
179.14281	1.4
183.11636	1.7
185.13243	4.3
187.14828	3.9
189.11183	1.8
189.12689	1.0
189.16487	1.5
191.14301	1.2
197.13216	1.4
199.14992	1.8
202.54292	0.8
203.14412	1.2
205.15791	1.3
213.16534	1.3
217.07974	0.8
219.17470	1.5
227.12834	2.0
229.14291	2.0
231.17561	0.9
231.20976	2.6
241.19550	7.3
243.21068	4.1
249.22130	1.1
257.18976	3.4
259.20581	19.5
261.22137	10.2
275.20093	1.9
277.21637	18.7
293.20923	0.9
315.23175	1.9
317.24814	2.0
333.24255	13.6
335.25803	100.0
336.26117	2.7
337.27359	4.2
349.23929	2.0
351.25305	41.5
373.18738	1.0
399.78174	0.9
479.41183	0.9
489.35577	3.6
519.41907	1.9
529.38666	1.7
545.38477	1.0
563.77405	0.8
584.40479	0.9
593.45734	4.1
611.46716	66.0
612.46887	4.2
629.47345	2.9
701.46521	1.1
782.27618	0.9
970.58368	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	970.614
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	6.1
69.07082	16.4
71.05007	3.6
71.51648	3.7
71.89852	1.8
73.02930	5.1
79.05492	56.9
81.03444	4.9
81.07058	74.5
83.04985	3.7
83.08626	9.6
85.02911	13.1
85.06551	5.7
91.03970	6.9
91.05482	42.3
91.06014	2.9
93.07045	68.2
95.05000	6.4
95.08607	51.9
95.09159	3.4
97.02886	10.5
97.06553	6.2
97.10223	5.5
99.04515	2.2
99.08096	3.1
105.07040	37.7
105.07693	2.8
105.39960	2.0
107.08604	36.4
107.09306	2.8
109.02893	2.8
109.06552	4.5
109.10157	26.5
111.08089	3.5
111.11730	2.3
115.05461	2.9
117.07014	15.3
119.08584	31.0
121.10148	31.8
123.08110	4.7
123.11734	6.6
125.09669	2.2
127.03932	4.4
129.07037	3.2
131.08563	21.6
133.10133	21.5
133.10918	1.8
135.11694	19.4
143.08649	6.3
145.04935	2.8
145.10135	17.7
147.11694	22.2
149.13275	11.0
152.47179	2.0
156.70970	2.3
157.10152	4.3
159.11682	19.4
161.13284	15.3
163.06117	2.3
163.14922	4.4
171.11812	6.9
173.12042	2.6
173.13185	10.3
175.14896	8.2
179.14342	3.4
181.69092	1.9
183.11740	2.6
185.13318	7.7
187.14868	9.3
205.16049	2.9
213.16418	2.1
231.17717	2.9
233.25661	1.9
241.19652	9.2
243.21185	4.1
257.19180	4.3
259.20612	21.2
261.22339	6.9
275.20190	2.2
277.21631	17.3
289.21780	2.2
317.24844	2.5
333.24200	18.7
335.25827	100.0
336.26114	3.4
337.27652	4.1
351.25305	38.4
351.29477	2.1
352.25360	2.2
405.13916	4.1
428.26392	2.0
449.07074	2.0
529.39410	3.4
571.43695	3.4
593.46088	2.7
611.46704	62.1
612.46588	3.1
629.48779	2.5
656.35956	2.1
659.37323	2.3
660.36346	3.1
946.93518	2.3
970.57983	82.9
971.58258	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	971.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	6.4
70.06593	6.2
71.51022	2.5
78.04707	4.3
79.05496	5.7
80.05053	3.6
81.03412	9.4
84.08156	4.6
85.02916	13.7
91.05492	9.4
93.03426	2.7
93.05781	2.9
93.07072	6.3
93.39686	2.2
94.06571	8.7
95.04984	3.6
96.08138	6.0
97.02914	3.1
103.05488	2.9
104.68222	1.9
105.07068	3.5
106.06579	8.7
107.04971	4.5
107.07342	7.2
108.08144	23.0
109.02878	7.8
110.09702	10.5
113.74976	2.0
115.05515	5.4
117.05756	2.4
117.07037	8.9
119.04900	3.7
120.08111	30.3
121.06554	10.4
122.02390	4.8
122.06031	5.4
122.09688	21.8
123.04446	6.8
127.03914	4.0
129.07065	2.8
129.10202	3.8
130.06604	2.5
131.04927	3.4
131.07376	5.2
132.08128	4.7
133.06485	2.1
134.06027	9.1
134.09657	4.6
136.07582	19.0
137.05986	11.1
138.09152	27.0
140.03447	5.9
144.08105	3.6
145.06496	14.3
146.06038	6.0
146.09659	8.5
147.04417	6.8
148.03972	2.4
148.07573	14.9
150.05565	2.5
150.09160	14.6
151.03940	2.3
152.04750	2.3
152.07132	5.8
153.05522	4.6
154.05008	4.1
155.06059	8.5
156.08093	2.8
160.07599	11.0
162.05516	3.5
162.09157	6.8
164.07101	8.6
164.10794	2.9
166.08612	14.8
167.07057	100.0
172.07571	3.4
173.06004	20.6
174.05579	3.6
174.09155	32.9
176.07104	8.6
177.05495	2.8
178.08614	2.9
180.06615	2.8
181.04984	38.8
186.09145	5.8
188.07089	4.9
190.08633	4.6
192.06500	3.2
192.10194	51.9
194.08058	3.7
198.09262	2.9
199.08694	2.8
200.23404	2.1
201.10333	3.1
202.08658	12.5
203.07076	2.7
204.10184	6.0
205.08737	5.9
206.04509	4.2
206.08124	4.3
208.09769	3.9
209.10794	2.5
212.07179	3.5
213.10239	3.8
218.08154	10.5
220.07770	2.2
220.09688	42.5
223.08699	2.6
224.09389	2.9
225.10301	4.2
226.08630	3.1
227.08173	10.8
229.09840	2.9
230.08318	2.4
230.11761	3.2
232.09523	3.4
233.08069	4.6
235.09679	4.7
236.09145	10.4
237.10359	3.7
238.10794	2.5
239.08131	4.9
239.11792	2.6
241.09720	10.1
242.08092	3.2
244.09724	3.7
246.11298	3.1
249.10391	3.8
250.10765	2.6
251.08189	5.0
252.08820	3.7
253.09724	7.7
254.10184	3.6
255.07755	3.0
255.11385	2.8
256.09552	3.0
259.10739	3.4
260.09244	2.6
265.09784	7.7
267.07623	2.6
267.11368	7.8
269.09259	6.6
269.12973	4.2
271.10788	4.8
273.08905	2.4
277.09610	6.2
278.10361	7.2
279.07678	4.1
279.11185	3.4
281.09113	5.8
283.10715	3.8
287.05481	2.6
287.10214	4.8
291.11111	2.8
292.12198	2.8
293.09109	9.5
294.09894	5.3
295.10751	17.0
296.11313	7.5
297.12354	5.2
299.10513	3.2
307.10947	4.3
309.08859	3.4
309.12216	2.4
311.10229	7.1
313.11771	6.0
319.10825	2.5
320.11221	2.9
321.08594	7.5
321.12131	3.8
323.10086	9.8
325.11475	4.7
327.13641	3.4
335.10071	3.0
337.11923	3.9
339.09659	4.2
341.11246	2.8
347.10291	2.5
351.09766	2.5
355.12943	3.7
357.13846	5.8
383.12436	2.7
385.12881	17.4
387.14456	2.3
400.16315	2.8
407.12350	3.1
411.12323	2.7
413.13589	2.1
415.13977	2.9
417.15417	7.9
422.14758	3.8
431.14740	5.9
440.15665	3.9
443.14377	3.5
467.14386	3.1
495.13721	2.1
497.15173	3.1
517.16913	2.3
537.15759	2.4
561.17499	3.8
576.20905	2.5
579.18054	4.5
593.19635	2.7
613.13116	4.1
613.22882	64.2
614.21906	4.8
618.21344	2.5
630.23828	2.4
641.21716	2.6
650.22260	2.3
664.23114	2.5
665.22565	2.9
682.24579	2.6
696.22852	3.5
701.60187	2.5
702.25012	2.5
714.22455	3.3
716.24103	4.0
728.27075	10.0
732.23956	3.4
734.25061	2.3
736.27332	3.7
744.24066	6.3
745.25623	2.6
746.25427	4.1
752.26459	5.6
758.27026	2.7
762.25055	11.3
763.24866	2.6
764.26898	4.7
766.27460	5.4
770.27380	3.6
775.28412	22.0
776.27539	5.8
780.26221	33.1
781.26422	8.8
782.27600	5.4
784.28870	6.5
794.27228	8.8
795.27332	4.0
796.28827	3.8
798.27191	52.6
799.26727	3.8
802.30243	3.0
812.28772	30.5
813.28662	11.7
816.27417	3.1
830.29736	31.4
831.30396	5.0
859.33997	2.5
867.31476	3.2
875.33087	4.6
885.31421	4.4
893.34662	4.8
903.32404	12.8
907.34100	3.2
921.17261	2.8
921.33923	32.4
935.35413	6.9
953.36310	3.2
968.97211	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.5498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.5
69.07082	1.1
73.02921	4.2
74.73508	0.4
79.05513	2.2
81.03445	1.5
81.07063	2.4
83.08593	0.6
85.02916	4.7
91.03962	2.5
91.05515	1.5
93.07072	1.9
95.08628	2.2
97.02911	4.4
99.04485	0.6
101.02409	1.4
105.07064	1.7
107.08607	1.1
109.10154	1.0
117.07036	0.8
119.08600	1.3
121.10207	0.9
126.48891	0.6
127.03938	1.1
131.08577	0.6
133.10194	0.7
147.11746	0.8
173.03485	0.5
185.04282	0.9
203.05376	0.7
243.08430	2.5
315.19470	2.0
347.09784	1.2
363.09164	0.8
365.10739	0.8
405.13782	4.3
448.39157	0.5
519.29297	4.1
533.27374	4.2
681.34564	5.5
682.46613	0.6
695.32629	2.9
771.19147	0.6
811.49799	1.2
973.54999	100.0
974.55182	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	975.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52010	0.7
71.81805	0.8
84.04509	0.9
112.31293	0.8
153.86115	0.9
159.78569	0.8
184.84654	0.8
312.32501	5.9
313.33023	2.0
391.14581	0.9
697.31915	1.3
728.84619	1.0
975.54333	100.0
976.54791	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	975.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	2.7
69.35461	1.0
69.35883	2.9
73.02916	2.9
79.05519	1.8
81.03419	0.9
81.07053	2.8
83.08640	0.6
85.02907	3.8
91.03958	2.5
91.05486	2.5
93.07050	2.2
95.08628	1.3
97.02906	4.7
101.02402	1.3
105.07050	1.2
107.08607	1.1
109.02930	0.8
109.10210	0.6
110.87353	0.4
117.07029	0.6
119.08615	1.3
121.10181	1.0
127.03908	1.0
131.08565	0.8
133.10161	1.1
135.11723	0.6
145.10217	0.4
152.75299	0.5
159.11742	0.4
185.04254	0.8
200.26407	0.4
203.05347	1.1
206.61732	0.4
243.08401	2.5
253.21103	0.4
347.09772	2.2
365.10754	1.1
405.13748	5.1
519.29364	3.7
535.28687	3.1
599.85638	0.5
681.34399	4.3
697.34161	3.9
813.50726	0.7
975.56525	100.0
976.56647	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	975.5657
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	2.4
69.07081	0.6
70.94514	0.7
71.05016	0.5
73.02921	3.5
79.05505	2.3
81.03427	1.3
81.07063	2.8
82.77917	0.3
85.02910	5.1
91.03962	2.5
91.05465	1.8
93.07050	2.8
95.05005	0.5
95.08617	2.7
97.02905	4.5
99.04469	0.6
101.02409	1.5
103.03959	0.4
105.07072	1.2
106.49077	0.4
107.08621	1.3
109.02915	0.5
109.10188	1.1
117.07040	0.7
119.08601	0.8
120.49744	0.3
121.10176	1.2
123.11780	0.5
127.03944	1.1
131.08638	0.8
133.10188	1.0
135.11714	0.8
145.04875	0.4
145.10176	0.5
147.11726	0.6
150.97543	0.3
161.13377	0.4
185.04329	0.5
201.03648	0.4
203.05392	0.9
228.96693	0.4
236.72496	0.4
243.08441	2.2
317.21088	0.5
336.26447	0.4
347.09479	1.8
363.09280	0.7
365.10797	1.1
368.73666	0.4
387.52682	0.3
405.13702	5.6
461.67923	0.5
519.29419	4.4
535.28827	3.8
681.34589	5.1
697.33826	3.2
813.51654	1.2
975.56549	100.0
976.56915	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	982.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03433	2.5
70.60320	0.2
71.04980	0.1
76.38978	0.1
77.03931	0.4
79.05495	1.2
81.03419	1.1
83.01346	0.1
85.02907	3.9
89.03936	0.1
91.05489	0.5
95.04978	1.3
97.02895	2.5
99.04457	1.0
105.04507	0.7
107.04958	100.0
107.21085	0.1
108.05293	1.0
109.02883	7.4
110.03200	0.1
111.36496	0.1
117.07011	0.2
119.04916	0.1
123.04405	0.1
127.03922	4.3
139.03908	0.5
145.04985	1.6
145.06497	0.3
163.06058	0.1
169.04973	1.1
179.07082	0.2
184.60167	0.1
187.06041	1.4
189.05507	0.2
205.07085	9.0
206.07425	0.1
207.06627	0.1
211.94708	0.1
213.09097	1.5
213.11031	0.1
225.07610	0.3
325.11295	0.1
331.11798	0.3
367.12381	0.1
952.80603	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	984.5901
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	8.3
69.07074	18.8
69.31715	12.3
70.27698	1.4
71.04985	1.5
79.05498	29.8
81.03413	4.0
81.07062	35.6
83.04974	2.8
83.08620	8.4
85.02899	2.1
85.06501	1.7
91.03992	1.5
91.05487	21.8
93.07049	35.1
95.04951	7.3
95.08615	27.1
97.02885	8.1
97.06581	2.1
97.10173	8.7
105.07036	13.9
107.04981	3.0
107.08602	17.5
109.06570	1.7
109.10161	12.5
111.08045	1.7
115.05486	1.4
117.07008	5.9
119.08595	10.7
121.06508	2.2
121.10135	13.2
123.08051	1.6
123.11694	3.9
125.09638	6.1
129.06984	3.2
131.08568	8.9
133.06523	3.2
133.10112	7.9
135.11679	5.9
143.08536	3.9
145.10133	6.2
147.08052	3.7
147.11705	5.6
149.13315	4.4
157.10112	2.9
159.11707	5.6
161.09677	1.6
161.13222	2.2
163.11183	1.8
163.14842	1.6
175.11183	2.0
177.12674	2.6
185.13367	1.8
187.14876	2.1
189.11237	3.0
195.13899	2.1
223.13333	17.7
227.12810	3.9
243.21223	1.7
249.14836	2.6
252.09067	1.5
261.22180	7.3
273.18564	12.0
291.19559	75.5
317.24716	3.5
335.25818	76.3
347.21899	1.9
365.23257	39.7
366.23636	1.4
389.37088	1.5
527.37402	2.2
545.38251	5.3
560.86786	1.5
598.10699	1.7
607.43439	3.4
625.44684	100.0
626.44653	4.4
650.12524	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99803	0.4
69.03436	7.3
70.06585	1.0
70.60366	1.0
70.60734	0.9
71.04980	2.0
71.13907	0.5
73.02900	0.8
74.26482	0.4
79.05494	0.6
81.03423	28.5
83.01350	0.6
84.08134	0.7
85.02444	0.5
85.02917	7.1
86.09716	0.8
91.05486	76.6
92.05825	0.5
94.09481	0.4
95.05001	0.5
95.63976	0.4
97.02290	0.8
97.02895	11.4
99.04465	6.7
103.03928	0.5
103.05452	0.9
105.03397	1.3
105.07049	2.5
106.95675	0.4
107.04963	13.1
109.02888	40.6
111.04433	1.2
115.03932	1.0
115.05460	8.0
117.07027	6.4
118.07600	0.5
119.00267	0.4
119.04930	2.5
121.02882	0.9
123.04441	0.6
125.02351	1.4
127.03925	69.2
129.06958	0.6
131.04883	0.6
133.06499	8.5
139.03906	1.1
143.04953	3.9
143.08572	0.7
145.04971	3.7
145.06442	3.6
151.03928	0.8
153.01759	0.5
157.06505	0.7
161.05991	100.0
162.06367	1.3
169.04973	13.5
171.03038	0.5
171.04410	9.8
171.08063	0.6
173.04494	0.7
179.07050	19.7
181.06520	0.6
187.06020	9.0
189.05469	5.3
193.04961	0.5
193.93025	0.4
197.79518	0.4
199.07542	1.9
203.07054	0.6
205.07112	1.3
207.06508	1.0
209.05931	0.6
211.05966	0.9
215.07022	0.6
217.04950	0.7
221.08163	2.1
223.07509	1.4
229.07063	5.2
230.35956	0.5
231.06578	2.3
233.08145	1.0
235.05975	1.5
239.07043	0.5
243.10176	0.5
249.07610	5.5
251.07034	0.5
253.07137	1.6
269.08096	3.4
271.08087	1.1
286.05328	0.6
287.09140	7.8
289.09180	2.6
291.08566	0.8
295.08017	0.6
297.07465	1.2
305.10199	15.7
306.10751	0.7
313.09296	0.6
315.08615	9.2
323.11172	2.0
333.09665	2.6
347.11240	4.6
357.09564	1.3
365.12299	8.5
375.11002	2.5
393.11923	0.8
401.24152	0.4
413.12305	1.3
417.11746	1.2
431.13235	1.6
435.12750	1.2
441.11865	2.1
449.13882	0.6
459.12933	4.5
477.14066	6.3
491.14798	0.5
495.14890	1.7
501.13593	2.0
519.08661	0.6
519.15088	7.8
579.16846	1.1
639.19220	3.9
701.20831	2.8
827.22833	1.0
845.24982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99798	0.6
69.03433	7.2
69.81579	0.2
71.05004	2.2
73.02916	0.6
77.03915	0.2
79.05482	0.7
81.03420	29.6
82.03749	0.3
83.01338	0.6
83.04988	0.4
85.02908	5.9
87.04470	0.2
87.26680	0.2
91.05483	81.8
92.05817	0.8
95.04962	0.7
97.02895	10.1
99.03842	0.4
99.04456	6.3
101.02374	0.3
103.03946	0.5
103.05471	0.8
105.03420	1.5
105.04517	0.2
105.07033	2.3
107.04958	10.1
109.02882	43.3
110.03191	0.4
111.04437	0.7
115.03976	1.5
115.05454	8.7
117.07024	6.3
119.04948	2.4
121.02907	0.4
123.04398	0.6
125.02365	1.9
127.03922	71.9
128.04266	0.6
128.06213	0.2
129.07010	0.6
131.04930	0.5
133.06497	9.8
139.03915	1.4
141.05467	0.4
143.04936	4.8
144.05630	0.2
145.04967	3.0
145.06490	3.1
147.04385	0.7
147.08046	0.5
151.03922	0.5
153.01819	0.3
153.07005	0.6
155.06030	0.5
155.08643	0.4
157.06497	0.6
159.04465	0.5
161.05984	100.0
162.06300	1.4
163.03886	0.2
167.08516	0.3
169.04971	12.7
171.03041	0.4
171.04408	8.9
171.08067	0.8
173.04440	0.6
173.05893	0.3
175.03882	0.3
176.48553	0.2
177.05426	0.3
179.07042	20.5
180.07379	0.3
181.06496	1.0
183.08029	0.6
185.06017	0.3
187.06015	8.1
189.05482	5.4
195.07993	0.7
199.07524	1.9
203.07086	0.5
205.04922	0.5
205.07030	1.2
207.06551	0.9
209.05948	0.7
211.05943	1.3
211.07770	0.3
213.09364	0.2
215.05354	0.3
215.07135	0.3
217.04964	1.5
221.08075	2.4
223.07481	1.0
225.09163	0.3
227.06979	0.3
229.07080	6.1
231.06494	2.1
233.08090	1.6
235.06007	1.8
239.07022	0.3
241.08611	0.4
243.10283	1.1
245.08110	0.4
247.08028	0.2
249.07578	5.2
251.06982	0.7
253.07114	1.6
257.08173	0.3
263.09140	0.4
269.08136	3.6
271.07932	0.9
277.06891	0.2
279.06689	0.3
287.09155	9.4
288.09445	0.3
289.09174	2.6
291.08582	0.8
295.08078	0.6
297.07513	0.8
305.10220	15.1
306.10620	0.3
311.09412	0.2
313.09061	0.7
315.08606	8.3
323.11267	3.0
329.10120	0.4
331.10391	0.3
333.09647	2.4
347.11301	4.5
351.10565	0.2
357.09772	1.3
361.09146	0.3
365.12363	9.0
375.10736	2.9
379.10339	0.4
389.12537	0.4
393.11832	1.1
407.13400	0.3
413.12357	1.0
417.11679	1.4
431.13422	1.3
433.13419	0.2
435.12689	1.4
441.11832	2.3
449.14117	0.3
459.12875	4.7
473.14029	0.3
477.13919	6.2
483.12909	0.4
495.15118	2.6
501.13745	1.5
515.45441	0.2
519.15051	8.9
520.14740	0.3
537.16412	0.3
543.14575	0.3
561.15735	0.5
568.61700	0.2
571.64032	0.2
579.17249	1.1
603.16846	0.3
621.18365	1.6
639.19153	3.7
701.20892	2.5
730.15430	0.2
827.23798	1.1
833.11591	0.2
845.23987	0.9
999.19061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	6.9
71.04979	2.0
73.02924	0.4
79.05493	0.7
81.03420	30.6
85.02902	6.5
91.05482	82.1
92.05820	1.0
95.04959	0.7
97.02295	0.7
97.02898	10.1
99.04458	6.0
103.03931	0.5
105.03403	1.5
105.07016	2.6
107.04959	9.9
109.02881	43.0
111.04446	0.9
112.97139	0.4
115.03953	1.2
115.05454	8.4
115.06270	0.5
117.07019	7.2
119.04924	2.4
123.04430	0.9
125.02345	2.1
127.03920	72.1
128.04279	0.5
131.04916	0.7
133.06494	9.2
139.03905	1.0
141.05565	0.5
143.04906	4.9
145.04996	3.5
145.06429	2.6
147.04395	0.5
147.08080	0.5
151.03926	0.9
153.06909	0.5
157.06473	0.4
161.05983	100.0
162.06319	1.9
167.08525	0.4
169.04971	13.9
171.03130	0.4
171.04405	9.5
171.05743	0.8
171.08081	0.7
173.04544	0.5
179.07036	19.1
180.07443	0.4
181.06500	0.7
183.08044	0.8
185.06029	0.4
187.06026	7.8
189.05464	4.6
193.04987	0.5
195.08064	0.6
197.05919	0.4
199.07533	1.7
203.07004	0.5
205.05035	0.7
205.07100	1.1
207.06514	1.0
209.05995	0.7
211.05975	0.8
215.07150	0.6
217.04941	1.3
217.08510	0.5
218.01103	0.4
221.08142	2.4
223.07520	1.7
227.06909	0.8
229.07002	4.6
229.99252	0.6
231.06485	2.6
233.08090	1.3
235.06065	2.5
241.08586	0.8
243.10146	0.8
245.08176	0.5
249.07558	4.5
253.07082	1.8
269.08093	3.6
271.08130	1.0
279.06473	0.4
287.09149	8.6
289.09183	2.5
291.08630	0.9
297.07602	1.0
305.10220	14.9
315.08615	7.5
316.09003	0.5
323.11316	2.4
333.09616	2.0
347.11365	4.5
357.09805	0.7
365.12344	7.8
375.10764	2.6
413.12228	0.5
417.11746	1.3
423.10373	0.5
431.13339	1.4
435.12839	1.4
441.11829	2.6
449.14319	0.8
459.12811	4.6
477.13916	6.9
495.14691	1.6
501.13858	1.8
519.07538	0.5
519.14984	7.7
561.15588	0.8
579.17059	0.9
621.18243	1.0
639.18829	3.6
701.20953	2.6
809.22211	0.5
827.22510	1.1
845.25378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99798	0.5
69.03427	7.6
70.06595	0.4
71.04992	1.9
71.51231	0.7
71.57426	0.4
73.02908	0.9
77.01616	0.4
79.05514	0.9
81.03419	29.9
83.01344	0.5
83.04986	0.5
85.02911	5.5
86.09711	1.2
91.05482	81.9
92.05833	0.8
95.04968	1.1
97.02895	11.7
99.04459	7.3
102.71037	0.3
103.03970	0.4
103.05464	0.7
105.03397	1.3
105.07035	2.1
107.04953	12.6
109.02882	42.4
111.04374	0.6
115.03939	1.2
115.05450	9.0
117.07020	7.0
117.41982	0.4
119.04951	2.7
123.04462	0.4
125.02361	2.0
127.03918	75.0
128.04298	0.5
131.04976	0.6
133.05495	0.5
133.06483	9.6
139.03886	1.2
143.04922	3.9
143.08537	0.4
145.04956	3.8
145.06476	2.9
147.04436	1.5
147.08040	0.6
151.03905	0.7
153.06940	0.4
155.06035	0.5
157.06401	0.4
159.04454	0.5
161.05980	100.0
162.06342	1.2
169.04976	11.7
169.06343	0.4
171.03035	0.5
171.04396	10.3
171.08115	0.5
173.05981	0.5
175.03938	0.6
179.07039	20.5
181.06451	0.9
183.08023	0.5
187.06026	7.9
187.07684	0.5
189.05464	4.7
197.05963	0.4
199.07590	1.8
203.07104	0.5
205.05016	0.9
205.07088	1.3
207.06546	0.9
209.05907	0.5
211.05995	0.7
217.05009	0.9
217.08609	0.7
221.08099	2.0
223.07520	1.0
227.07030	0.5
229.07066	5.2
231.06499	2.0
233.08130	1.3
235.05876	1.9
239.07057	0.7
241.08707	0.4
243.10150	1.2
249.07594	5.1
251.06992	0.7
253.07042	2.1
269.08060	3.4
271.08017	0.9
272.46576	0.4
287.09146	8.1
289.09143	2.9
291.08554	0.6
295.07971	0.8
297.07474	0.7
305.10202	14.5
306.10376	0.7
315.08621	7.1
323.11295	2.3
333.09674	1.9
347.11252	4.8
357.09619	1.0
365.12308	7.8
375.10934	2.4
393.11768	1.1
413.11984	0.8
417.11642	1.0
423.10791	0.4
431.13672	1.8
435.12717	1.3
441.12088	1.9
449.14413	0.9
459.12918	4.0
477.13947	5.8
495.14948	2.1
501.13766	1.5
519.14935	7.1
561.16071	0.5
579.16681	1.0
621.17853	1.2
639.10608	0.4
639.19171	4.1
701.20490	2.6
827.23230	1.1
845.24908	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99822	0.4
69.03439	8.0
69.17682	1.1
69.18089	3.6
69.84317	0.4
70.06594	0.7
71.04995	2.0
73.02907	0.8
80.17467	0.4
81.03422	30.4
83.01328	0.6
83.04980	0.5
85.02910	6.4
86.09720	0.5
87.38268	0.4
91.05486	79.2
92.05816	1.0
95.04967	1.2
97.02894	10.3
98.21112	2.3
99.04463	6.2
103.05434	0.5
105.03405	1.3
105.04548	0.5
105.07032	3.0
107.04956	13.0
109.02886	41.4
111.04447	0.9
115.03938	0.9
115.05464	8.4
117.07026	6.4
119.04951	3.3
123.04413	0.8
125.02357	2.0
127.03924	76.5
131.04909	0.5
133.06505	10.4
133.94402	0.5
139.03902	0.9
141.05484	0.4
143.04933	4.4
145.04982	3.2
145.06483	3.0
147.04398	0.9
147.08116	0.7
151.03900	1.0
161.05989	100.0
162.06303	1.9
165.07002	0.6
169.04976	13.4
171.03130	0.4
171.04419	10.5
171.08057	0.9
173.04526	1.0
179.07047	19.8
181.06496	0.8
187.06032	9.6
189.05428	5.1
195.07961	0.7
199.07539	2.1
203.07080	0.6
205.04965	1.1
205.07043	1.4
211.05942	1.6
215.07149	0.6
217.04913	1.0
218.68657	0.6
221.08192	2.3
223.07582	1.7
229.07080	6.4
231.06540	2.5
232.32449	0.5
233.08076	1.4
235.06018	2.5
243.10252	0.7
249.07603	5.6
253.07098	1.6
258.45023	0.5
269.08063	3.0
271.08200	1.2
287.09180	8.6
289.09143	2.6
291.08591	0.9
295.08328	0.6
297.07483	1.0
305.10226	15.9
313.09247	0.6
315.08618	7.9
323.11334	3.0
333.09698	2.3
347.11313	5.4
357.09943	1.1
365.12347	9.0
366.12872	0.5
375.10941	2.9
393.11490	0.8
395.10931	0.5
413.12161	1.0
417.11630	1.4
431.13461	1.4
435.12854	0.9
441.11801	2.8
449.14044	0.5
459.12955	4.8
477.13904	7.3
495.15234	3.1
501.13773	1.5
519.15057	8.6
561.16370	0.9
579.16913	1.2
621.18048	1.2
639.19196	3.9
701.20795	3.0
827.23035	1.3
845.24176	1.2
979.09125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6055
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	6.1
69.06725	2.2
69.07070	24.3
69.82486	6.4
70.20731	1.1
71.04985	3.9
73.02921	2.7
75.50668	1.2
77.03928	1.5
79.05494	64.9
81.03426	10.2
81.07059	79.3
83.04997	10.6
83.08620	9.1
85.02909	10.6
85.06556	3.4
91.03962	3.8
91.05484	52.2
93.07047	76.2
95.04964	9.6
95.08612	57.3
97.02892	9.1
97.06531	9.9
97.10197	6.6
99.04464	2.0
99.08110	2.2
103.05444	1.8
105.04525	2.8
105.07034	37.1
107.04957	5.2
107.08598	42.2
109.02826	1.5
109.06548	7.0
109.10162	20.0
111.08092	5.3
115.05443	1.5
116.06257	1.8
117.07024	19.0
119.08589	29.6
121.06495	2.8
121.10154	25.8
123.08084	4.5
123.11726	5.6
125.09649	4.7
127.03918	4.2
128.06238	2.7
129.07028	7.6
130.07831	1.6
131.08574	24.5
133.09128	1.8
133.10135	23.3
135.08076	2.8
135.11711	17.2
136.12073	1.2
137.09619	3.1
137.13268	1.9
141.07066	2.1
143.08582	4.5
145.06529	1.2
145.10135	19.5
147.11697	14.0
149.09605	6.1
149.13271	8.9
151.11250	1.6
155.08595	2.9
157.10170	4.8
159.11693	14.6
161.13269	5.3
163.11201	4.1
163.14890	3.6
165.12801	1.6
167.08533	1.5
169.10130	3.2
171.11664	6.1
173.04456	2.6
173.13307	8.0
175.14821	1.4
177.12790	2.1
179.14330	1.8
182.59096	1.2
183.11673	3.8
185.13283	4.2
187.11232	1.4
187.14835	3.7
195.13832	3.0
197.13313	2.7
199.14806	3.1
201.16422	1.9
201.78026	1.4
211.14848	1.5
217.15866	1.8
219.17358	1.5
223.15019	1.6
227.12790	5.4
229.14395	5.2
229.19450	2.6
230.49123	1.4
235.16862	1.8
239.17955	3.2
241.19388	1.6
243.21228	1.9
255.15956	4.0
257.19083	7.6
259.20581	2.9
261.22131	10.9
267.16092	1.8
269.17413	12.7
275.20093	20.6
291.19498	2.4
293.21255	1.8
309.20676	7.5
317.24844	3.1
331.22745	3.9
333.24261	2.1
335.25818	100.0
336.26178	1.6
349.23773	21.9
367.24808	2.9
412.09155	1.6
489.35617	4.9
515.37451	12.8
529.38940	50.5
530.38977	1.6
555.39801	1.6
569.41998	24.4
570.42236	1.7
609.45148	38.7
610.44861	1.7
616.53564	1.3
627.46075	8.4
673.42401	1.8
771.49927	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	2.7
70.06608	2.5
70.33586	0.7
70.89312	1.7
71.05003	0.9
71.80477	0.7
81.03419	16.4
82.03744	1.3
84.08199	0.7
85.02901	5.2
86.09727	1.2
91.05481	29.5
92.05822	3.3
97.02918	4.9
97.85509	0.8
99.04484	2.7
103.03337	0.7
103.03935	3.4
107.03364	0.7
107.04958	13.2
109.02885	18.8
109.03596	1.0
110.03259	1.3
115.05482	2.7
117.07037	3.1
119.04967	1.1
125.02318	1.1
127.03917	24.1
128.04282	3.0
129.04422	1.4
131.05003	1.2
133.06538	2.5
143.04944	1.8
145.04996	1.8
151.03981	0.9
161.05983	15.4
162.06303	4.9
163.06596	1.6
169.04941	3.9
171.04453	1.8
179.07076	2.4
185.04279	2.2
187.06047	1.7
189.05493	0.8
201.05322	1.9
209.04243	0.8
229.07103	1.1
247.05812	10.6
247.08174	1.1
251.05344	0.9
269.06366	1.9
287.09415	1.0
289.06866	1.6
311.07547	3.2
327.08511	2.0
329.08966	3.6
339.06985	0.8
345.09470	25.7
355.08182	1.9
373.08887	4.5
391.09976	12.6
399.09186	1.0
415.09940	4.5
433.11368	1.4
457.11691	1.0
469.14966	1.5
475.12170	4.5
499.12308	1.7
517.13196	9.4
535.14386	3.8
541.13043	1.3
559.13965	6.3
601.15704	2.6
606.40009	0.9
619.16309	4.9
661.17462	6.6
675.20428	1.0
679.18488	20.1
825.22107	1.6
841.03967	0.8
841.24188	0.9
857.24445	1.3
867.23041	1.4
885.24292	35.6
886.24786	1.9
889.25916	1.2
931.26624	3.1
947.29553	10.8
963.28876	17.4
963.44916	0.7
964.28729	1.2
991.28448	100.0
992.29242	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	997.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	8.4
69.80126	2.7
69.98227	10.6
69.98639	4.7
70.06593	13.9
79.05495	10.8
79.74338	3.0
80.05030	7.2
81.03426	20.1
82.06553	3.4
82.89828	3.0
84.08172	5.3
85.02915	14.8
86.09719	5.8
91.05483	17.3
93.05798	7.3
93.07040	14.1
94.06575	28.4
95.04959	6.5
95.07361	11.2
95.08607	4.9
96.08125	15.7
97.02898	6.4
98.21509	3.4
99.04509	3.1
100.36566	2.7
103.05491	9.1
105.07004	7.3
106.06555	9.5
107.04943	6.9
107.07335	10.1
107.08567	4.2
108.08121	59.6
109.02889	13.8
110.09698	29.1
118.06537	6.0
120.08116	77.1
121.06523	21.2
121.07243	3.3
121.08909	5.9
122.02382	10.4
122.06056	7.0
122.09672	37.2
124.07587	6.1
127.03927	12.7
128.06248	3.1
129.10219	4.7
129.71889	2.8
130.06551	7.0
131.04977	4.8
131.07307	11.2
132.08107	8.7
134.06032	11.3
134.09645	8.3
136.07579	33.5
137.06006	9.8
138.08139	5.9
138.09149	86.3
140.03476	18.3
144.08095	6.4
146.06000	11.0
146.09669	16.5
147.04398	6.1
148.03964	4.4
148.07588	21.4
150.05519	3.7
150.09151	29.1
151.03999	3.4
153.12756	3.8
154.05006	12.5
158.09644	6.3
160.07588	11.9
161.06021	3.5
162.05519	5.3
162.09175	9.7
164.07126	8.3
164.10713	3.8
166.05043	4.2
166.08682	19.1
167.07127	4.0
168.08081	6.2
170.09709	5.5
172.07555	8.1
174.05518	6.3
174.09151	60.5
176.07137	7.1
176.10678	4.1
177.05524	3.6
178.04951	3.9
178.08664	5.9
180.10216	7.2
181.08948	3.5
182.09590	3.2
184.07632	5.0
186.09132	5.0
190.08636	3.9
192.10199	100.0
194.08185	3.7
198.09212	7.4
199.08682	5.5
199.12398	7.2
200.07184	3.8
200.10748	5.9
201.10194	3.2
202.08653	17.7
204.06631	5.6
204.10193	5.1
206.04498	6.1
206.08183	5.3
207.06660	3.9
207.08839	3.2
210.09204	4.7
211.08699	11.4
212.10921	5.2
213.10275	9.1
214.08687	4.8
216.10278	3.8
216.67477	3.3
220.06177	3.6
220.09708	62.3
221.10725	4.1
224.05595	6.6
225.10207	14.5
226.08577	4.1
227.08176	12.8
227.11784	65.9
230.08089	3.7
230.11713	14.5
235.08656	6.2
237.10204	9.5
238.08653	3.7
238.10905	4.4
239.08234	8.0
239.11838	12.8
241.09720	5.8
241.13466	7.8
243.11340	7.3
246.11223	7.2
249.10292	7.0
250.08698	3.7
251.08304	9.3
251.11847	9.6
253.09755	12.9
255.07721	7.2
257.12967	3.8
263.08087	6.3
265.09729	18.2
267.07663	5.4
267.11331	16.4
269.09665	5.7
269.12866	25.9
275.11899	4.8
277.09677	13.8
279.07956	4.6
279.11337	10.4
280.08307	7.7
281.09235	9.7
281.12665	5.5
283.06107	3.4
283.10608	6.0
285.12442	6.8
286.13135	6.5
287.05533	9.4
287.13980	12.2
291.07877	4.3
291.11301	6.6
292.08337	4.0
293.09222	15.0
295.10742	26.7
296.11566	7.0
297.08621	5.0
297.12189	6.8
299.13943	6.4
300.12280	6.9
303.04993	11.4
307.07272	3.6
307.10666	6.5
309.08755	8.4
309.12433	8.1
311.10284	8.1
313.11923	7.8
314.12851	3.8
321.08762	4.6
321.12292	4.6
322.09244	5.1
323.10196	16.9
323.13602	3.2
325.11954	5.9
327.13531	8.9
329.15002	11.0
330.12424	7.1
337.11893	6.1
341.11395	7.6
342.12460	4.3
355.12964	9.7
356.14066	6.5
363.13623	4.1
370.15503	4.1
372.13284	4.3
373.14127	6.2
382.11542	3.8
382.15918	4.9
385.13892	9.4
386.14957	5.0
390.14423	7.5
395.16006	9.1
396.13641	5.3
402.14597	12.4
413.16919	10.2
414.14447	4.2
427.14645	3.9
431.17929	11.9
432.15689	3.4
459.87277	2.9
486.16135	3.2
516.17584	5.7
530.19415	4.1
534.18463	5.2
536.19684	3.7
552.19861	4.3
584.21954	3.3
589.20422	5.1
595.16638	3.4
606.21490	5.3
619.17749	4.7
620.22064	4.4
622.20648	4.0
637.18726	4.7
638.23340	7.3
652.23615	3.1
654.22614	5.2
665.23560	3.3
680.25873	3.6
689.25763	6.4
701.28064	4.0
707.26483	12.1
710.22198	5.7
717.25555	6.3
721.28229	12.1
724.23035	6.6
725.28131	22.5
735.26556	21.4
739.29803	15.9
742.24133	9.5
743.29083	10.9
749.27484	6.5
753.27759	37.7
754.27496	5.1
757.30945	39.7
760.23639	8.1
767.28967	19.2
771.28998	61.3
772.29095	8.4
775.32147	21.4
785.30304	51.7
792.25098	5.4
794.26172	4.4
803.31274	49.2
806.23828	4.6
810.26282	8.1
812.24615	3.8
824.24536	5.3
828.27753	3.3
838.26465	8.0
841.28619	3.5
856.27258	8.8
870.16986	3.6
879.30426	5.7
883.29828	8.2
893.29224	4.7
897.32501	13.5
901.31537	5.6
907.29633	5.3
911.28735	9.2
915.32855	22.0
925.30713	13.4
929.30353	8.8
933.34131	20.3
943.33002	20.2
947.31317	4.2
951.34625	8.3
961.33557	23.7
979.34424	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	1000.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42094	70.3
71.42451	100.0
75.57147	55.7
83.67035	47.7
85.17538	42.5
86.17583	54.0
86.61413	45.3
104.78638	47.9
110.05267	55.5
124.27305	55.2
127.98820	47.5
140.63277	46.2
154.65793	58.8
165.62796	54.4
189.55367	52.6
207.35710	52.2
214.51602	57.2
279.41187	55.5
326.93228	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	9.1
72.99334	0.7
73.02956	3.8
75.00874	0.7
83.01392	2.2
85.02952	4.8
87.00857	0.8
89.02448	3.7
93.96980	0.4
95.01391	0.6
96.30959	0.5
96.96014	0.9
99.00884	1.6
101.02460	6.7
111.00890	0.5
113.02443	6.3
115.05539	3.3
117.07117	0.7
117.40622	0.4
119.03529	1.0
123.04486	0.6
123.52785	0.5
125.02415	1.5
131.03477	0.7
133.06625	0.6
136.01643	0.8
143.03490	0.7
154.15640	0.4
161.04497	1.3
161.06047	1.5
163.04012	0.9
167.03503	0.8
180.04329	0.6
187.04033	3.7
203.03561	0.8
205.05109	0.7
220.47079	0.6
287.81064	0.5
449.79242	0.5
455.35300	10.3
456.35510	1.3
473.14880	0.5
499.28821	0.8
515.15253	0.5
599.39545	1.5
617.40546	14.7
618.40643	2.5
779.45874	100.0
780.46259	17.6
821.47028	2.0
972.98895	0.6
1001.50989	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00999	1.3
71.01384	24.2
71.56183	0.8
72.99305	1.1
73.02946	6.7
75.00877	1.0
75.14155	0.8
76.23454	0.6
81.03439	0.5
83.01381	4.9
85.02950	12.7
87.00868	1.8
89.02448	5.2
92.45925	0.9
95.01395	2.1
97.02949	0.7
99.00869	3.0
101.02447	17.4
113.02454	10.8
114.15765	0.6
115.05524	1.5
116.92870	0.7
119.03516	1.5
125.02453	1.1
131.03468	0.9
143.03409	0.9
159.02945	1.7
161.04575	4.2
165.05490	0.7
165.37575	0.7
179.05627	0.8
182.70816	0.6
187.04036	1.8
207.06883	0.6
508.44562	0.8
619.42065	1.5
781.47559	4.6
943.52679	100.0
944.52704	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	1004.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	30.0
83.64952	12.2
85.02939	16.0
89.02476	19.4
98.20618	42.8
101.02454	17.1
103.26122	13.1
113.02443	18.9
115.05518	71.4
123.04546	16.2
143.57791	15.0
161.06058	34.2
187.04019	100.0
211.65594	14.3
363.05515	16.6
473.14441	52.2
541.99207	16.8
780.46771	21.4
781.46423	28.6
782.46875	45.6
941.50958	15.9
944.50916	18.4
1004.50958	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	1004.507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	22.7
71.55282	3.2
72.99328	3.6
73.02932	7.3
83.01395	6.0
85.02959	15.8
85.61718	3.4
87.00881	6.8
88.98800	4.4
89.02455	8.0
91.05511	3.8
94.81068	3.2
95.01379	7.6
99.00881	4.1
101.02415	18.8
107.52386	3.4
113.02439	15.1
115.05537	69.5
117.07109	12.5
119.03472	4.2
121.02922	5.3
123.04543	4.6
125.02454	5.2
137.02341	3.0
143.03467	5.3
143.05005	9.4
150.03215	6.6
159.89301	3.2
161.02626	4.0
161.04860	4.8
161.06067	28.4
163.04016	7.2
165.05585	8.5
175.02417	5.1
187.04001	100.0
205.05098	3.9
213.05583	3.4
241.05046	4.5
256.07382	12.8
271.09766	14.3
296.07004	3.5
301.16418	3.2
305.20245	3.6
469.13953	3.7
473.14493	47.3
515.15405	10.7
646.80737	3.5
737.23627	17.1
781.46625	5.3
782.46472	11.1
900.48083	7.2
944.51666	6.9
945.52118	4.9
1004.50879	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	1005.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	6.4
71.55384	0.3
72.42388	0.3
72.99273	0.5
73.02951	4.2
81.03455	0.5
83.01382	1.7
85.02953	4.3
87.00867	0.4
89.02464	0.8
91.05556	0.4
93.03468	0.6
95.01382	0.7
97.02964	0.8
101.02448	4.6
108.02188	0.3
113.02446	5.1
115.05538	79.5
116.05880	2.5
116.92815	0.3
117.03449	2.4
117.07107	12.2
118.07452	0.5
119.03469	0.6
121.02947	1.0
123.04517	4.1
125.02446	1.6
131.03482	0.5
133.82091	0.3
134.06041	0.3
143.03494	2.6
143.05020	7.8
149.04535	0.3
150.03304	0.4
155.03549	0.4
159.50465	0.3
161.04636	1.3
161.06076	26.1
162.06430	0.8
166.02617	0.5
175.02499	0.4
181.05066	0.6
187.04001	100.0
188.04349	4.5
192.87068	0.3
203.05609	1.7
205.05049	3.7
221.06660	0.6
221.09782	0.7
225.55569	0.4
256.07349	0.3
271.09854	0.5
280.30731	0.3
285.09888	0.5
323.11462	1.4
345.11987	0.6
366.76068	0.3
401.11877	0.3
417.15643	0.6
469.13693	2.0
473.14508	53.8
474.14886	5.0
475.17105	0.8
489.17905	0.3
515.15582	9.9
516.16144	0.8
525.15222	0.3
695.21649	1.3
719.38873	0.3
737.22986	25.2
738.23071	3.9
942.35181	0.4
942.52551	0.5
945.53973	0.7
1002.15131	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	4.7
73.02946	6.4
81.03487	0.3
83.01395	1.4
85.02953	1.7
86.35100	0.2
86.82470	0.2
86.85756	0.2
87.88398	0.2
89.09408	0.2
91.05511	0.6
93.03494	0.5
97.02962	0.6
98.19899	1.0
99.00903	0.4
101.02444	5.0
113.02439	2.6
115.05537	78.4
116.05872	2.2
117.03463	2.1
117.07104	10.6
118.07468	0.3
119.03510	0.4
121.02926	0.4
123.04523	3.6
125.02400	1.0
130.04297	0.3
131.03503	0.3
143.03500	1.9
143.05013	7.0
149.04556	0.4
155.03467	0.6
161.04648	0.9
161.06071	24.4
162.06433	0.7
187.03996	100.0
188.04335	4.2
203.05620	2.4
205.05051	4.3
206.75912	0.2
221.09612	0.7
223.11301	0.2
230.60953	0.4
253.16910	0.2
263.07635	0.3
267.10318	0.3
285.09790	0.4
323.11365	1.4
345.11874	0.5
375.80890	0.3
409.10965	0.3
453.27820	0.2
455.13715	0.4
469.13437	2.6
473.14508	54.1
474.14835	5.1
515.15570	6.8
516.15912	0.8
630.83838	0.3
695.21826	0.7
737.22949	21.5
738.23224	3.5
912.28070	0.3
1019.54089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	5.4
73.02943	4.2
75.80595	0.4
83.01385	0.9
85.02934	4.5
89.02479	0.4
93.03465	0.4
95.01377	0.4
98.19819	0.9
101.02435	4.1
108.34637	0.4
113.02454	3.8
115.05537	83.4
116.05889	2.0
117.03448	2.4
117.07108	12.7
118.07426	0.4
119.03609	0.5
121.02900	0.6
123.04522	4.7
123.60058	0.4
125.02436	1.1
131.03528	0.5
143.03481	3.0
143.05020	9.2
161.04640	1.3
161.06068	27.3
162.06393	1.0
187.03998	100.0
188.04355	3.8
203.05559	1.2
205.05005	4.5
323.11340	1.5
345.11691	0.9
406.94955	0.4
469.13397	1.6
473.14493	47.2
474.14706	5.0
512.91003	0.5
515.15521	6.5
516.15771	1.0
695.21637	1.2
737.23010	22.8
738.23273	3.6
749.28571	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	5.5
72.71446	0.2
73.02950	4.4
81.03439	0.4
83.01382	1.3
85.02943	3.7
89.02408	0.3
91.05521	0.4
93.03480	0.5
95.01394	0.6
95.05096	0.2
97.02941	0.9
99.00885	0.3
101.02448	4.6
102.22221	0.2
108.02108	0.3
113.02452	4.0
115.05537	81.1
116.05890	2.6
117.03478	2.3
117.07106	11.9
118.07446	0.4
119.03550	0.4
121.02937	0.5
123.04521	5.0
123.05376	0.4
125.02444	1.4
131.03497	0.6
135.04507	0.6
143.03505	2.7
143.05016	7.7
144.05363	0.3
149.02386	0.3
149.04526	0.5
150.03259	0.3
155.03577	0.4
161.06075	24.9
162.06416	0.8
163.04015	3.0
164.04411	0.9
165.05592	0.3
175.04095	0.3
178.06329	2.2
179.06738	0.7
187.03996	100.0
188.04324	3.9
193.08685	3.8
194.09052	1.4
203.05617	2.2
205.05038	4.1
221.06578	0.3
221.09712	0.6
263.07840	0.3
271.09845	0.2
285.09854	0.6
323.11465	1.5
345.11868	1.0
439.38300	0.2
455.13437	0.4
469.13446	2.7
473.14496	57.1
474.14783	4.3
477.23236	0.4
515.15540	8.3
516.15875	0.7
563.29980	0.2
695.21942	1.5
737.22961	27.8
738.23120	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	1005.5642
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	34.4
71.56030	2.1
72.99309	2.5
73.02948	8.1
83.01385	5.2
85.02948	12.0
87.00871	3.3
88.98802	1.9
89.02444	14.4
93.03481	7.5
95.01395	4.8
97.02952	4.2
99.00861	2.5
101.02433	21.7
108.02150	3.2
109.02956	2.9
111.00863	1.5
113.02460	13.9
115.05538	68.4
116.05832	2.4
117.03468	3.2
117.07105	11.3
119.03497	5.5
121.02943	6.7
122.03744	12.7
123.00873	2.3
123.04517	6.4
124.01623	3.3
125.02481	9.8
131.03499	1.8
133.02966	2.3
134.03716	1.6
135.04533	3.2
136.01628	9.2
137.02440	10.1
139.00363	2.2
139.03958	1.4
143.03448	4.3
143.05031	6.5
145.02928	2.1
146.03749	1.9
149.02454	26.6
149.06052	2.0
149.99658	3.1
150.03223	92.8
151.00362	6.2
151.04045	10.1
161.02461	3.7
161.04712	2.7
161.06052	26.5
162.03217	11.0
163.03938	2.2
164.01195	1.8
164.04787	7.2
165.01958	5.6
165.05566	67.5
166.02698	13.5
166.05898	3.1
167.03506	1.8
168.00615	5.4
169.01337	1.5
175.02489	2.8
175.03954	2.6
177.02078	1.6
177.05563	10.8
179.03513	2.1
179.05630	2.9
179.07159	5.3
180.04243	8.8
181.05052	14.2
187.04004	100.0
188.04366	5.5
192.04280	2.0
195.06631	48.6
196.06863	1.6
205.05064	5.9
213.05525	4.3
218.78484	1.5
225.07666	2.4
241.05051	11.8
249.92473	1.7
255.06552	2.9
256.07385	27.5
257.07913	3.8
269.08234	2.0
271.09753	23.1
313.10870	3.0
328.09265	1.7
343.11798	14.7
344.12250	2.2
355.11859	1.9
356.12433	2.4
357.13354	2.9
358.09991	1.4
368.11847	1.5
373.12872	4.6
387.14648	4.7
391.14072	3.5
402.12970	1.9
403.13666	3.4
415.23322	1.6
417.15692	10.9
469.13327	2.7
473.14523	55.8
474.15140	7.2
515.15442	7.5
516.15973	2.8
535.17456	1.5
565.20905	14.3
569.20190	3.3
579.20844	19.4
580.21558	1.7
595.22101	6.8
595.69550	1.4
613.22980	6.8
621.21954	17.7
622.22858	3.2
634.38501	1.5
689.20764	11.3
695.22559	1.6
719.21747	2.7
729.81427	1.8
737.22980	22.0
738.22839	3.0
761.27594	2.5
765.47595	5.1
791.30481	1.9
862.13159	1.6
909.33691	1.7
939.33380	2.7
945.54218	67.0
946.54767	11.1
1005.40497	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	1006.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	7.7
73.02939	5.0
73.89746	0.5
79.95737	1.4
83.01396	2.8
85.02958	5.5
89.02464	0.6
93.03522	0.8
95.01405	1.5
97.02976	1.1
98.20638	1.2
99.00869	0.8
101.02425	4.6
113.02450	5.6
115.05537	78.3
116.05872	19.2
117.03495	3.9
117.07107	12.2
118.07452	3.4
123.04503	4.4
124.04859	1.1
125.02440	1.7
131.03502	0.6
134.75664	0.5
143.03529	4.0
143.05028	7.6
144.05359	2.4
155.03462	0.8
159.58310	0.6
161.04620	1.9
161.06065	27.2
162.06404	7.6
187.03999	100.0
188.04338	31.1
189.04555	1.7
203.05589	2.4
205.05040	5.3
206.05402	1.1
221.06612	0.7
225.05527	3.2
228.91217	0.6
240.07913	4.6
241.08215	1.0
255.10240	3.2
323.11331	1.4
335.05923	8.8
336.06259	1.4
469.13425	1.8
470.14011	1.2
473.14520	36.3
474.14819	38.9
475.14993	2.8
515.15393	7.2
516.15851	8.6
528.42303	0.6
695.21613	0.9
696.22845	1.3
724.69379	0.7
737.22894	9.3
738.23346	21.9
739.24139	2.8
781.88867	0.8
797.45319	1.0
913.59882	0.7
943.51172	17.4
944.51685	2.3
1006.50366	5.0
1007.50806	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	32.4
83.01394	6.0
85.02947	11.2
87.00928	4.7
88.29329	4.5
88.98792	8.6
89.02449	8.7
98.39687	4.4
101.02436	19.5
113.02453	13.6
115.05537	74.7
116.05883	20.7
117.07115	13.4
118.07448	5.7
123.04523	13.8
125.02370	6.8
143.04997	8.1
150.03241	5.5
161.04678	8.6
161.06079	31.6
163.03979	5.7
164.04678	5.4
165.05579	6.7
175.02409	4.8
177.20438	5.2
187.04002	100.0
188.04352	31.0
205.05159	4.6
241.04991	4.7
256.07294	11.3
257.08087	6.1
271.09680	10.5
272.10120	5.2
285.04144	5.4
430.87201	4.7
433.15173	7.5
473.14484	26.1
474.14688	23.7
515.15497	10.3
516.15967	10.9
738.23102	21.1
943.51367	71.4
944.51929	13.4
946.52289	20.9
1006.51062	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1006.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	42.0
73.02934	17.6
83.01420	18.3
85.02950	23.2
93.03474	15.4
101.02452	28.9
113.02464	27.4
115.05539	68.5
116.05881	17.2
121.02893	18.9
122.03791	11.1
123.04467	11.0
124.09763	10.9
134.03761	12.1
134.96935	11.0
136.01633	22.8
137.02405	17.3
142.16426	11.4
149.02438	50.2
150.03221	90.8
151.00356	15.1
151.03677	28.9
161.04590	11.5
161.06026	15.9
165.05565	100.0
166.02718	20.3
166.05891	22.0
179.07117	19.4
180.04173	14.6
181.05049	19.9
187.03979	90.0
188.04277	27.6
195.06636	77.5
196.06927	16.0
205.05090	13.5
229.18686	16.0
256.07428	26.6
256.10385	12.1
343.11719	25.4
344.12112	17.7
417.15289	17.1
461.23541	16.8
473.14258	22.3
474.14838	20.8
566.21088	32.1
595.21118	17.8
596.21985	22.7
714.26178	16.5
738.22980	13.3
944.52362	14.4
945.53729	39.0
946.54083	87.1
947.51910	17.1
1006.52673	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.75360	1.1
69.75769	2.0
71.01384	24.0
72.99317	2.2
73.02946	5.9
75.00878	0.9
76.31752	0.4
81.03471	0.5
83.01396	3.2
83.98771	0.5
85.02949	18.2
87.00867	1.9
88.75909	0.5
88.98822	0.6
89.02447	7.5
91.05515	0.8
95.01404	5.5
97.02970	1.4
97.29639	0.5
99.00878	0.8
101.02447	22.8
105.26366	0.5
113.02452	34.1
115.05540	44.0
116.05859	1.1
117.03481	1.1
117.07108	20.6
118.07425	0.6
119.03513	5.5
123.00899	0.5
123.04527	7.4
125.02441	1.4
131.03522	2.1
133.06595	1.1
139.00372	0.7
142.98695	0.5
143.03482	4.5
143.05042	3.8
149.04556	5.4
151.03946	0.6
161.04584	13.4
161.06079	59.6
162.06410	2.2
163.04008	1.2
175.02469	0.6
187.04005	74.4
188.04355	3.1
195.06569	0.6
205.05084	4.8
221.06627	5.6
271.09851	0.5
285.09818	1.2
323.11362	8.2
345.11893	0.9
427.12402	18.0
428.12854	1.2
473.14468	11.4
474.14700	1.5
601.62445	0.6
625.46179	0.5
695.21893	100.0
696.22272	11.5
738.23145	0.6
901.28223	0.8
943.50970	0.9
944.53180	0.7
1006.52350	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1008.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	12.6
80.32417	4.0
83.01372	9.8
83.92786	3.5
85.02946	6.0
88.98811	8.6
101.02451	8.7
110.24971	3.9
113.02425	9.9
115.05537	22.4
116.05849	4.5
116.92867	4.2
121.02927	5.3
123.04517	5.5
125.02466	5.3
136.01669	40.4
147.65932	3.7
151.04007	61.6
161.06070	8.0
170.06929	4.0
175.02451	3.8
187.04002	34.3
188.04346	9.5
191.05534	4.7
215.10764	4.2
245.06636	5.0
290.39771	4.1
333.61237	4.3
357.13406	100.0
358.13754	6.3
473.14221	6.0
474.15002	5.0
945.54382	5.4
1008.53143	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	1008.5229
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73074	3.9
71.01386	16.7
73.01665	3.6
80.76609	3.7
85.02943	6.0
87.00899	6.6
88.98818	4.5
96.96028	5.4
98.19830	8.9
101.02459	6.5
101.24750	4.1
113.02465	8.6
115.05563	11.2
125.02460	4.6
161.06116	9.2
165.55325	3.6
175.02461	6.3
187.03929	18.5
237.90189	3.7
246.90425	4.7
249.75339	3.8
340.43997	4.1
357.13089	5.0
381.56918	3.9
799.47278	6.3
945.52783	100.0
946.53546	16.0
991.69110	4.6
1008.52386	46.3
1009.52692	9.0
1041.08655	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	1008.5382
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	13.2
73.02941	17.8
79.46337	11.6
101.02425	17.3
113.02478	17.2
115.05543	14.3
118.13109	12.5
127.53848	14.7
165.05515	15.5
187.03926	14.8
195.06616	17.3
229.13849	15.6
388.41180	13.5
519.18518	14.7
945.53906	55.9
948.55396	27.8
1008.53296	100.0
1009.54364	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01433	1.9
73.02972	0.8
75.51194	0.5
83.01422	0.7
89.02483	0.7
93.03461	9.3
101.02505	1.6
107.01471	0.8
107.98584	0.6
108.02164	0.8
113.02499	1.1
117.03508	1.0
121.02986	0.8
123.04591	0.7
124.01735	1.0
125.02498	1.2
132.02209	1.7
133.02982	0.9
135.04568	0.9
137.02505	1.0
140.98466	0.5
143.05089	0.7
145.03017	1.1
147.04692	0.8
149.02527	1.2
151.00450	1.7
160.01660	0.6
161.02550	1.7
161.04668	0.8
161.06062	1.1
164.01219	1.1
165.02068	0.9
183.04634	1.5
185.02478	0.9
197.02591	0.7
198.03317	0.7
199.04077	1.8
201.02054	0.9
209.06206	0.9
211.04024	1.7
213.01981	1.0
214.02710	0.8
215.03441	0.8
223.04077	3.3
225.01944	1.0
225.05757	0.6
226.02835	1.6
227.03502	14.3
228.04114	0.6
230.02235	0.6
231.02905	1.2
237.01912	1.1
238.02773	0.9
239.03577	1.3
240.04393	0.7
242.02386	1.1
243.02988	4.4
249.02068	0.6
249.05565	0.6
251.03592	1.2
251.07210	1.3
252.04309	0.7
253.01894	0.7
253.05035	14.0
254.02219	1.2
255.02986	41.0
256.03537	3.0
264.04309	0.8
267.02994	12.8
267.06216	1.1
268.03741	1.4
269.01022	1.8
269.04547	1.1
270.01694	0.6
271.06168	0.7
275.07172	1.1
278.05780	0.9
279.03009	1.6
281.01010	4.1
282.01642	1.0
283.02505	3.5
284.03262	14.2
285.04001	11.1
287.07071	0.6
291.06543	1.1
293.01019	3.5
293.04599	2.9
293.07693	0.7
294.01721	1.7
295.02536	8.3
295.05780	0.7
297.04037	0.8
298.01257	2.8
299.01941	0.8
303.06696	1.2
305.04578	0.6
306.05463	0.6
307.02576	4.3
307.05844	1.1
311.02063	1.9
315.06662	1.5
317.04642	1.5
317.08304	1.5
319.06146	2.2
330.04987	0.7
331.06268	2.3
332.06799	0.8
333.04007	1.0
333.07559	0.9
337.07440	0.6
343.06265	1.8
347.05603	1.9
348.06274	0.7
359.05505	3.1
360.06393	2.1
361.07153	31.6
362.07501	2.8
375.05136	1.3
376.05829	1.8
377.06680	0.7
387.05130	7.7
388.05914	0.9
389.06683	2.3
401.06427	2.6
403.04599	4.7
404.05359	4.8
405.06076	2.6
413.06555	1.3
415.04495	2.6
417.07312	1.0
427.04462	1.0
431.04086	1.8
432.04980	4.5
433.05743	2.8
445.05554	5.8
446.06552	1.0
447.09323	23.3
448.09589	2.3
452.08850	1.1
453.09866	0.7
471.10605	0.8
475.08801	2.5
487.08859	0.7
494.10037	0.8
495.10901	2.5
538.09186	2.6
539.09851	22.1
540.10242	1.9
563.14319	0.7
581.12939	6.9
583.10895	2.9
595.11261	1.0
657.15790	0.8
701.15094	100.0
702.15369	12.1
968.59705	0.7
1011.25470	22.0
1012.25354	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	1013.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	5.4
73.02946	5.9
79.05530	0.4
81.03456	0.9
81.07092	2.8
83.01383	1.7
83.05023	1.5
85.02959	2.0
87.00866	0.3
89.02420	0.4
93.03468	0.9
94.04229	0.9
95.01385	0.8
95.05022	1.1
97.02943	2.1
98.19902	0.6
99.00864	0.7
101.02425	4.4
107.01395	0.7
108.02194	0.3
109.06583	5.7
109.07265	0.6
113.02478	2.4
115.05531	0.4
119.03501	0.9
121.02982	0.5
123.04523	22.2
124.04852	0.4
125.02446	8.1
125.06019	0.5
127.07648	31.0
128.07983	0.6
138.02226	0.7
138.03230	8.5
143.03513	2.3
144.11020	0.4
153.05571	100.0
154.05902	3.6
155.03526	0.5
158.84364	0.3
161.04570	1.2
171.06628	13.6
172.08919	0.4
182.33643	0.4
185.04547	1.0
187.04033	0.5
203.05650	1.4
245.06665	0.5
255.02905	0.5
259.29861	0.4
285.03946	0.9
285.09717	2.0
289.12973	2.6
345.11926	3.6
421.14844	0.6
439.16080	64.0
440.16388	4.0
455.18954	1.2
477.16260	2.3
481.17117	11.7
482.17462	1.2
523.18170	1.3
701.30945	0.4
703.24487	2.9
704.25098	0.4
745.25592	32.4
746.25873	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	1014.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56088	0.7
72.00893	0.4
74.02081	0.7
74.02477	10.2
81.04575	0.5
82.02982	1.3
84.04542	0.6
86.02481	4.3
86.99094	1.6
87.05636	3.1
90.00166	1.0
96.04570	0.5
97.04062	1.3
99.05646	7.9
101.07211	1.6
102.05603	1.5
109.04053	1.4
109.26942	0.4
111.05619	0.6
112.04037	1.3
113.07206	0.6
116.01781	1.1
123.05645	1.0
124.04080	0.7
125.03539	1.6
127.05134	1.3
128.03545	24.9
129.03934	0.5
131.04597	0.6
135.05653	2.9
137.07188	1.0
139.01497	0.6
141.06706	2.4
143.04623	33.2
145.06197	1.3
146.04597	3.4
153.06682	2.4
155.08223	0.5
155.20906	0.4
160.00739	11.7
166.09879	2.1
167.04605	2.8
167.08270	1.7
171.04099	0.7
171.07721	0.6
177.03452	3.3
179.04619	7.3
181.06221	1.1
185.05672	1.0
192.07777	1.0
197.05658	1.0
210.08836	7.1
213.03514	0.5
213.05583	1.3
228.10060	0.5
241.05092	1.8
241.30586	0.4
241.32913	0.5
254.07835	9.2
256.07385	0.4
263.02661	0.5
272.08875	18.2
273.09201	0.6
288.06604	6.9
306.07657	100.0
307.07947	3.5
331.06177	0.5
336.88776	0.4
465.13220	0.6
480.15717	1.4
495.18222	6.1
931.38391	0.5
952.51984	0.6
1014.51666	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	1014.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
92.66109	86.8
160.84091	96.0
250.69281	83.2
825.42499	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	1015.288
Annotation	Unknow
Peak:m/z	Relative Intensity
70.63071	0.8
71.01387	3.8
73.95618	0.8
81.03429	1.4
82.33815	0.8
83.01373	8.1
85.02952	1.5
87.00882	1.6
89.02437	1.5
93.03462	16.2
95.01379	1.8
95.04989	1.4
97.02956	9.3
101.02430	1.5
107.05009	1.7
108.02158	1.3
109.02963	6.5
117.03455	9.1
119.01363	1.1
119.05028	15.4
119.65051	0.8
120.02184	1.9
120.05402	0.8
121.02965	3.1
123.00883	1.0
123.04526	3.4
124.01688	1.6
125.02449	79.1
126.02795	2.3
131.05020	1.2
133.02956	5.3
133.06575	2.8
134.03769	5.2
135.04530	15.7
137.02446	66.3
138.02873	1.2
139.04025	1.2
143.05003	5.8
145.01871	1.5
145.02965	19.2
147.04497	2.1
149.02438	10.4
151.03984	2.0
157.06572	2.2
159.04547	2.1
161.02368	2.5
161.06071	6.6
162.06413	1.1
163.00371	3.3
163.04012	11.1
164.01161	31.7
165.01927	9.2
166.02693	1.9
167.03607	1.1
167.05029	3.1
169.06612	3.0
171.04506	5.6
175.03958	6.4
176.01126	2.2
177.01947	8.1
177.05600	2.4
180.05800	2.4
181.06529	2.7
183.04527	1.7
185.06053	7.0
187.03993	7.0
187.07602	5.8
189.01944	2.2
189.05469	4.3
194.79196	0.9
196.05292	0.9
197.06009	1.7
199.03961	3.8
201.01898	1.7
201.05554	1.2
203.03625	1.2
203.07149	2.5
205.04988	4.5
205.08728	1.9
208.05228	2.0
209.06068	9.1
210.06561	1.0
211.03944	2.8
211.07658	4.4
213.05507	2.3
215.03313	1.0
217.05107	2.6
225.05527	5.3
225.09106	0.9
227.03485	3.2
227.07164	2.5
229.05077	11.6
229.08562	4.2
230.05554	1.9
231.06503	1.3
239.03519	1.2
240.04164	2.1
241.05077	3.4
242.05841	1.4
243.02966	2.5
243.06729	1.1
251.07176	1.5
253.05055	100.0
254.05449	5.1
255.03081	7.5
255.06602	17.7
256.03696	2.7
257.04663	1.0
263.07047	1.4
265.04874	5.8
265.07126	1.7
266.05765	1.9
267.03366	1.1
267.06586	4.3
268.03668	1.5
269.04538	2.4
269.08115	1.5
270.05377	3.6
271.06134	10.2
272.06674	1.5
273.04123	2.7
273.07648	19.2
274.08014	1.6
279.06436	1.0
281.08185	1.3
284.03326	1.4
285.04041	3.0
293.04831	1.6
293.08069	6.7
294.05334	1.2
295.06012	5.3
305.08072	3.4
307.08389	6.1
317.08212	1.3
323.09271	1.8
329.08530	1.1
335.09323	3.4
347.09302	4.3
359.09088	1.7
361.07019	1.4
373.07040	5.4
379.08243	2.0
383.09265	5.0
385.07108	1.9
391.08316	4.9
401.10321	2.7
403.08316	1.1
423.12415	2.1
433.11356	3.4
435.12970	80.4
436.13254	7.1
441.13104	2.1
465.13358	1.4
483.14542	2.3
485.10852	2.1
491.11472	1.3
509.12399	2.5
527.14587	4.3
553.13464	9.6
563.15521	5.3
571.14575	13.4
572.14740	1.6
579.15063	53.5
580.15332	7.0
581.16730	4.6
583.17920	1.4
591.14722	2.0
645.19824	4.3
671.17767	16.9
672.17877	1.9
689.18750	32.2
690.18842	4.2
702.12500	1.0
717.18329	2.3
727.20245	2.6
869.24860	2.0
889.25439	17.9
890.25598	2.6
1015.28485	11.5
1016.29053	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	1015.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	10.6
71.55571	1.6
73.02937	1.7
73.18523	1.0
81.03446	1.1
83.01384	1.9
85.02957	11.1
87.00858	1.5
88.98809	3.5
89.02451	1.0
90.16895	0.9
91.05538	4.1
95.01405	1.6
97.02940	3.1
99.00883	1.5
101.02438	2.8
110.64830	0.8
113.02444	9.1
115.05541	63.3
116.05873	2.1
117.03441	1.8
117.07104	25.0
123.04486	1.2
125.02457	12.4
127.04001	1.7
133.06586	4.3
143.03496	14.4
143.04967	4.5
153.04648	0.9
153.05614	10.7
155.03500	5.5
161.06076	90.4
162.06421	3.2
163.03978	2.8
166.61398	1.0
185.04572	13.5
187.04005	100.0
188.04279	3.9
205.05077	15.0
206.05479	1.2
223.06081	4.8
245.06627	3.4
256.07269	1.3
265.07126	2.0
271.09659	1.4
315.10703	5.8
323.07498	1.1
323.11362	22.5
375.12988	7.8
417.13614	1.3
451.12509	2.4
503.15552	12.9
504.15561	1.1
511.14429	4.2
519.18427	4.5
620.60791	1.0
622.00574	1.1
670.80182	0.9
809.24762	12.0
810.25006	2.4
818.54449	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	11.4
73.02954	3.3
83.01383	2.9
85.02950	6.7
87.00884	1.8
88.98808	4.3
89.02440	5.2
89.05607	1.1
98.19874	3.6
99.00879	1.7
101.02446	9.3
109.02917	1.2
113.02466	6.1
115.05536	3.6
116.92852	1.8
119.03519	1.6
123.04542	1.6
125.02438	1.6
141.18173	1.1
143.03513	1.6
145.02974	1.4
150.03264	2.2
151.00349	1.0
161.04529	1.8
161.06013	1.3
166.02684	1.1
179.05577	1.3
181.05017	1.2
187.04002	3.7
195.06491	1.7
199.03925	1.0
213.05284	1.0
227.03555	1.4
241.05078	1.6
270.05432	1.1
271.09695	1.8
285.04092	25.7
285.07535	3.7
286.04211	2.2
286.81461	1.1
300.10193	3.5
331.11871	4.2
387.14111	1.3
471.34735	16.2
472.35086	1.5
473.14389	1.1
565.20929	1.3
615.39374	2.6
633.39844	12.2
634.41425	1.8
795.45374	100.0
796.45911	15.6
837.46362	1.9
913.51367	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	1017.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01006	1.0
71.01384	15.4
71.56650	0.6
72.99290	0.8
73.02943	3.6
75.00886	0.4
77.31850	0.5
79.95718	0.8
83.01411	2.8
85.02952	8.7
87.00878	1.1
89.02447	4.7
95.01371	1.6
96.96010	9.0
97.02928	0.5
99.00854	2.4
101.02441	10.7
102.02832	0.5
113.02460	7.0
115.05544	0.7
115.60847	0.5
116.92827	0.8
117.03448	0.7
119.03467	2.2
119.04993	2.7
122.78465	0.6
123.04462	0.7
125.02433	1.1
131.03481	0.7
137.02432	0.7
140.43518	0.5
143.03506	0.9
150.03223	1.1
159.02901	0.7
161.04594	2.8
161.05832	0.6
163.03964	2.3
165.05457	1.2
175.02515	0.6
187.03958	0.6
195.06519	1.1
229.03418	0.6
283.18781	0.5
285.07745	1.3
293.71301	0.5
300.10037	1.1
301.10788	0.6
327.12311	0.7
331.11682	1.2
334.57098	0.5
344.91977	0.5
353.78293	0.6
357.24783	0.5
367.91104	0.5
434.63885	0.6
435.08310	0.6
471.34607	1.8
479.26715	0.8
497.27353	1.3
529.22827	0.6
531.54858	0.6
589.40448	0.7
615.39154	1.5
633.39990	4.0
706.32318	0.6
751.46820	2.4
777.44336	9.9
778.43945	1.9
795.45331	100.0
796.45636	17.4
837.46344	4.1
838.46210	1.2
957.50427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1020.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	44.3
83.01387	19.0
85.02930	26.4
88.98785	17.8
89.02476	12.4
95.01423	14.5
96.96019	24.4
98.20747	22.4
99.54841	12.9
101.02462	33.5
108.02183	15.5
113.02444	30.8
115.05524	12.9
118.33835	13.1
123.00961	14.0
123.04474	12.2
125.02485	16.4
134.03760	15.4
150.03214	29.8
151.03989	15.4
161.67006	13.6
163.00632	13.7
165.05550	23.9
174.32378	13.0
175.02496	16.5
177.05602	24.6
178.02664	65.2
187.04076	19.4
193.05037	100.0
203.03448	28.8
211.27740	11.3
213.05667	18.6
229.06676	13.9
241.05136	23.6
256.07324	60.5
271.06274	15.9
271.09769	45.2
343.10464	13.3
373.11389	23.5
418.76663	13.2
441.10349	17.0
489.14224	18.4
579.20514	70.6
621.22162	17.2
636.44464	14.0
689.20032	14.1
713.37720	13.7
795.45782	40.1
796.46777	19.0
797.47290	18.6
798.46198	54.8
848.02820	14.5
1020.50677	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	9.6
72.99317	0.8
73.02947	1.2
81.41788	0.4
83.01413	1.2
85.02959	2.7
87.00872	1.4
88.98782	1.0
89.02439	8.7
91.05523	2.6
93.03446	0.9
93.05046	0.4
95.01382	0.9
96.95998	1.0
99.00919	0.7
101.02447	6.8
105.03440	1.3
108.02175	0.8
109.02950	0.7
113.02451	5.2
115.05540	57.9
116.05890	2.5
116.92848	0.9
117.03468	3.7
117.07104	7.4
119.03520	2.7
119.05051	1.5
121.02973	0.9
122.03709	0.9
123.04529	5.2
124.01633	0.5
131.03510	0.8
131.05009	0.7
133.02942	1.3
133.06544	2.8
135.04504	1.5
136.01611	0.7
137.02467	0.7
141.07126	0.5
143.03508	1.2
143.05040	5.7
145.02939	1.3
149.02460	6.1
149.04483	0.7
149.06032	0.6
150.03238	3.6
151.00348	1.0
151.03969	1.0
159.04485	1.2
160.01619	0.7
161.02478	4.5
161.04573	2.9
161.06079	15.0
162.03183	1.6
162.06496	0.8
163.04021	8.9
164.04794	0.8
165.05598	2.8
166.02667	2.3
167.03508	1.9
175.02519	1.2
175.03970	0.7
177.05565	1.4
179.03645	1.2
179.05608	9.6
179.07037	1.0
180.04309	2.3
181.05051	2.1
187.04002	100.0
188.04340	4.1
192.04272	0.5
193.04927	0.7
195.06616	3.6
205.05051	5.3
207.06615	0.7
208.88290	0.6
221.04396	0.6
223.06126	1.4
229.05115	1.1
235.06071	0.8
236.06935	0.7
247.06081	0.8
251.09224	1.1
256.07251	0.8
265.07178	1.5
271.09674	1.1
285.03879	0.6
295.08405	0.7
307.08093	0.6
325.09186	2.6
329.08844	2.4
357.12140	1.1
361.16632	2.2
361.33398	0.5
367.10272	2.8
373.12912	0.5
385.11404	10.7
397.07663	0.8
403.13763	0.6
433.11139	2.7
473.14532	35.3
474.14975	3.3
508.34839	0.6
629.22363	3.9
630.21820	0.5
635.21600	0.6
653.20874	14.0
654.21112	1.6
825.29688	1.7
841.25970	0.6
859.30640	2.5
952.14575	0.6
960.52600	1.4
961.53687	2.6
1021.32947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.518
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	10.4
75.00855	2.5
87.00885	3.0
88.98836	3.1
89.02441	2.2
90.48567	1.8
101.02424	6.5
108.02168	2.2
113.02429	5.4
115.05534	4.2
116.92852	2.5
123.04517	3.0
125.02432	3.1
160.53493	2.1
161.06061	7.2
165.05524	2.5
175.02464	5.7
175.03967	3.4
185.21875	2.0
187.03989	10.0
208.17186	2.7
255.06624	2.9
477.13776	3.1
521.33215	5.2
797.46899	100.0
798.47424	12.5
806.56720	2.5
1022.51624	58.2
1023.52228	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	1024.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	12.0
78.91850	3.3
83.01351	3.0
85.02934	7.1
87.00876	4.2
88.98824	6.3
89.02445	4.4
91.05495	3.1
93.03447	4.0
101.02435	8.3
113.02459	5.6
115.05520	7.7
117.07110	61.0
118.07422	11.8
119.59844	3.1
123.04485	5.3
125.02398	3.7
129.01945	4.8
135.04488	3.8
149.02382	3.1
151.04095	4.6
153.05551	5.3
161.06082	100.0
162.06419	29.8
163.04021	3.2
164.04774	3.6
175.02448	7.0
178.94531	2.7
182.00665	3.5
187.04028	13.9
205.05051	84.5
206.05382	19.6
214.13023	2.9
227.03384	4.6
229.67458	4.0
241.04979	3.6
255.02933	10.2
271.09918	4.4
284.03131	10.4
285.03964	34.6
465.86060	3.3
473.14301	4.6
511.14670	37.7
512.14752	35.1
513.15253	3.9
590.41290	3.3
807.91034	3.6
919.03516	3.6
948.54865	4.9
961.52869	12.3
962.51978	5.4
1024.53564	32.1
1025.42847	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	1024.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	36.5
71.11453	20.6
73.02972	9.6
85.02972	19.7
89.02448	9.9
96.96000	14.1
101.02468	16.7
113.02456	15.1
115.05573	27.0
125.02486	9.9
143.03543	11.0
161.06076	8.8
165.05540	11.8
175.02449	11.0
187.04002	35.7
213.31471	7.7
252.13127	9.4
302.14926	9.1
329.08743	8.9
329.53357	8.7
521.33679	10.7
545.80560	8.3
578.88293	9.5
647.76984	8.3
745.13324	9.3
870.07654	10.6
920.45392	19.1
961.53601	37.3
962.53027	10.7
1024.53064	100.0
1025.53601	19.4
1059.54602	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	1026.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01353	4.2
89.19994	4.7
113.02454	6.7
115.05554	22.0
121.48404	5.1
136.98961	4.0
151.01976	4.3
161.06091	12.9
175.02408	4.4
187.04001	53.4
229.82350	5.2
309.77875	4.5
443.32620	4.9
473.14484	71.0
474.14786	6.8
680.17352	4.5
695.21832	100.0
696.22382	8.7
1026.30566	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	1027.251
Annotation	Unknow
Peak:m/z	Relative Intensity
80.43317	0.8
83.09886	0.9
92.52686	0.9
93.03460	8.6
107.71188	0.8
117.03477	0.8
119.05030	2.8
121.02967	1.1
123.04488	1.5
123.05911	0.7
125.02409	1.8
132.02129	1.1
145.02948	2.8
151.00334	1.5
151.03940	0.9
163.00394	0.9
163.04022	1.5
164.01131	2.6
171.04536	0.8
183.04503	2.0
187.03909	0.8
198.03207	1.3
199.03941	3.2
203.03181	0.7
209.05974	1.3
211.03935	2.1
212.52287	0.8
213.01823	0.9
214.02704	1.2
215.03384	0.7
223.04022	3.5
224.04768	0.7
225.01935	1.8
227.03502	14.7
228.03908	1.0
231.02959	1.0
239.03551	1.2
241.05168	1.6
243.03018	11.7
249.01866	0.9
251.03476	1.9
253.05067	24.9
254.02275	1.7
254.05124	1.1
255.02985	45.1
256.03506	3.4
267.03015	13.0
267.05911	1.5
269.00885	3.0
269.04501	1.4
271.05923	1.2
275.07028	0.9
277.05164	1.2
278.05765	1.1
279.03165	1.7
281.00891	3.2
283.02448	4.2
284.03247	16.8
285.04016	11.1
287.07147	0.9
290.05875	1.0
291.06659	1.3
293.00861	3.2
293.04498	2.8
294.01608	1.3
295.02499	7.7
296.03131	1.0
297.03745	1.3
298.01010	1.9
299.01682	1.5
305.04428	1.2
307.02563	3.9
307.08282	0.8
311.01883	1.6
315.06516	1.4
317.04431	1.4
317.08090	1.5
319.05920	2.2
321.07837	1.0
325.03461	1.0
331.06104	1.4
333.04089	1.1
335.05542	1.4
343.06161	1.1
347.05460	1.0
359.05643	4.5
360.06213	2.1
361.07166	30.9
362.07446	2.3
373.06921	0.9
375.04968	1.6
376.05789	2.4
377.06558	0.9
387.05099	8.4
388.05911	1.2
389.06689	2.7
401.06491	2.4
403.04474	7.9
404.05115	4.2
405.06033	2.4
413.06854	1.0
415.04401	1.5
417.06116	1.3
427.04260	1.0
431.03781	1.4
432.04877	5.8
433.05396	2.5
433.11176	0.9
445.05679	4.8
446.06372	1.8
447.09302	29.3
448.09528	1.2
453.09894	1.2
463.08893	0.9
465.10181	0.9
471.10883	1.5
475.08752	2.8
487.08740	0.9
494.09827	1.4
495.10431	1.7
538.08893	3.2
539.09772	22.0
540.10486	2.3
579.14734	6.5
580.14880	1.2
581.13165	6.3
583.10822	12.8
701.15076	100.0
702.15448	12.7
740.06494	0.9
773.10852	0.8
865.20239	0.9
881.21198	6.6
882.21552	0.9
887.45789	0.9
1027.25122	22.7
1028.25415	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	1027.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	2.1
80.33897	1.0
88.99054	1.0
93.03458	9.6
94.12723	0.8
96.95990	1.1
101.02427	1.3
107.01352	1.6
107.87712	0.8
113.02452	1.0
117.03483	2.9
119.05047	7.2
123.04552	1.1
125.02431	3.2
132.02139	1.0
133.02916	1.5
133.06554	1.4
137.02466	1.4
143.05022	1.5
144.79868	0.9
145.02934	4.9
151.00351	2.8
161.06020	1.9
163.00368	1.5
163.03970	2.0
164.01147	6.0
165.01878	1.6
167.04968	1.0
177.01926	1.1
183.04465	2.1
185.06065	2.0
187.03969	1.6
193.01381	2.5
195.04517	0.8
199.04022	5.2
201.01984	1.1
205.05080	1.9
209.06094	2.1
210.03268	0.9
211.03998	1.4
214.02663	1.6
223.03917	2.9
223.07768	0.9
225.01903	1.8
227.03471	19.1
227.06845	1.1
228.03851	1.0
229.04922	2.2
229.87206	1.0
231.02943	1.3
233.06090	1.2
237.02061	1.1
242.02052	1.4
243.02960	17.6
251.03529	1.5
252.04326	1.5
253.05054	34.6
254.02214	2.0
254.05354	2.1
255.02979	42.0
256.03586	3.9
265.04846	1.5
267.02982	13.9
267.06400	1.6
269.00836	3.8
269.04559	2.7
271.02588	1.2
271.06049	3.3
277.05048	1.1
278.05728	1.1
279.02979	2.9
281.00833	2.9
283.02429	5.5
283.05695	1.9
284.03256	24.1
284.06311	0.9
285.04025	13.0
286.04285	1.4
293.00888	3.9
293.04434	3.2
295.02490	6.2
295.05469	1.8
295.29266	1.0
297.03979	1.3
298.01099	2.8
300.02835	1.6
306.05301	1.3
307.02448	4.7
307.08282	1.1
311.02094	1.7
311.05609	2.5
313.07098	9.6
315.06577	1.5
317.04587	1.4
317.08170	1.7
319.05957	2.0
331.06052	1.0
339.06683	0.9
343.07968	1.1
347.05585	2.6
348.06403	2.0
359.05612	3.6
361.07162	25.7
362.07446	2.2
375.05273	1.5
376.05902	2.2
377.06506	1.2
382.73572	1.0
387.05002	7.5
388.05823	1.7
389.06424	1.6
401.06464	2.7
403.04413	7.1
404.05237	3.5
405.06003	2.0
413.06723	1.5
415.04684	2.7
417.06219	1.1
431.03821	1.7
431.09341	1.3
432.04980	4.6
433.05603	2.0
433.11328	9.5
445.05707	3.3
447.03244	1.6
447.09323	30.3
448.09573	2.4
453.09839	1.5
463.08524	1.9
475.08652	2.0
487.08588	1.4
495.10757	2.7
521.08844	2.0
538.08728	2.5
539.09863	24.5
540.10199	2.8
579.15118	11.8
581.13153	5.8
581.20972	1.3
583.10858	18.1
584.10962	1.6
593.14996	6.2
594.15509	0.9
657.16022	1.1
701.15106	100.0
702.15277	14.2
739.17108	1.2
848.94495	1.1
881.21021	4.4
1027.25232	23.0
1028.05579	1.1
1028.25427	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	1027.272
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01355	1.7
73.02951	0.8
73.33336	0.7
82.72765	0.9
85.02960	0.8
87.00849	0.8
93.03461	9.2
98.92217	0.8
124.01643	1.7
124.90347	0.9
125.02430	1.3
132.02170	2.3
133.02989	1.7
137.02449	1.4
149.99542	0.8
151.00380	2.1
160.13107	0.8
163.00392	1.1
164.01146	2.0
183.04524	1.9
185.06110	1.0
187.03954	1.5
189.01955	0.8
198.03198	1.5
199.03955	2.7
209.06104	1.4
211.03999	2.4
213.01897	1.2
214.02692	1.8
223.04005	3.6
224.04552	0.9
225.02008	1.9
226.02654	1.4
227.03487	14.6
228.03906	1.4
229.04932	1.3
237.01901	1.7
237.19708	0.9
239.03479	2.0
240.04115	1.3
241.01236	1.5
242.02084	1.9
243.02989	10.6
251.03545	1.7
252.04286	1.9
253.01399	2.0
253.05077	14.0
254.02156	2.6
255.02977	51.1
256.03522	3.4
265.05127	1.2
267.02985	19.3
268.03430	0.9
269.00858	4.2
271.06409	1.1
275.07132	1.4
277.04974	1.5
278.05856	2.6
279.02945	3.4
281.00879	4.2
282.01642	1.0
283.02567	6.3
284.03256	24.1
285.03983	6.2
289.05124	1.1
291.06561	1.6
293.00925	4.6
293.04486	4.3
294.01611	2.6
294.04919	1.3
295.02472	12.4
296.03333	1.2
298.01163	3.7
299.02219	1.6
303.06461	1.3
307.02536	6.4
307.05835	1.3
311.02090	4.6
315.06619	2.0
317.04614	2.2
317.07932	1.4
319.06033	2.0
320.06348	1.0
331.06003	3.0
332.06720	1.1
333.04028	1.9
335.05664	1.1
343.06067	2.7
345.07825	1.1
347.05573	1.9
348.06369	1.4
359.05618	6.0
360.06415	4.1
361.07172	40.3
362.07339	3.3
373.07224	1.3
375.05096	3.7
376.05664	3.3
385.03375	0.9
387.05054	7.5
388.05673	2.1
389.06839	1.8
400.05771	2.0
401.06528	3.7
402.03470	1.2
403.04480	10.6
404.05380	6.2
405.06076	2.6
413.06461	1.1
415.04547	5.7
417.06061	1.3
431.04120	4.2
432.04861	9.8
433.05518	1.8
433.11185	2.0
445.05508	7.0
487.37839	1.0
494.09961	2.0
521.08868	2.8
538.09357	6.1
539.09845	3.3
593.06018	1.8
593.15088	24.3
594.15192	2.2
621.14874	2.3
727.18610	6.1
729.16699	5.5
741.15912	1.0
803.22040	2.1
829.19513	1.5
847.20868	100.0
848.21198	18.0
955.05066	1.0
1027.27246	43.4
1028.27087	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	1027.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	9.5
71.56018	1.4
73.02941	1.4
79.94989	0.8
83.01373	1.8
84.95052	0.9
85.02955	8.5
87.00871	1.4
91.05539	3.2
95.01398	2.0
97.02937	3.0
99.00890	1.9
99.04504	1.1
101.02450	1.9
111.04491	1.2
113.02447	10.1
115.05544	45.0
116.05839	1.5
117.03442	2.0
117.07109	27.3
118.07404	1.4
119.03515	1.6
123.04530	8.4
125.02439	13.7
127.03999	2.2
133.06567	2.7
143.03499	11.8
143.05013	3.9
155.03508	5.0
161.06076	100.0
162.06436	3.2
163.03996	1.5
185.03047	1.4
185.04547	17.6
185.06091	1.8
187.04004	73.7
188.04376	2.8
205.05070	7.3
212.23238	1.0
217.60080	0.7
223.06111	2.7
245.06647	3.1
255.63570	0.8
265.07184	1.1
305.12357	0.8
327.10782	2.9
331.15536	0.8
365.12399	14.2
366.12830	1.2
386.28430	0.8
387.12991	12.3
451.12546	1.6
473.14188	1.2
511.14487	1.7
515.15594	14.7
516.15820	1.1
531.18750	9.5
556.57855	0.9
821.25195	20.6
822.25525	4.9
959.50848	2.0
1027.50024	1.3
1060.39844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56696	0.4
75.00914	0.3
83.01378	0.5
89.02448	0.6
93.03454	1.3
95.01424	0.3
95.19950	0.3
101.02442	0.7
107.01403	1.2
109.02935	0.8
116.92838	0.5
117.03498	0.4
125.02415	0.3
126.45078	0.3
135.00865	0.8
137.02513	0.3
143.05026	0.8
145.02982	0.5
146.51897	0.4
151.00336	2.3
153.02011	0.4
154.64836	0.4
157.06645	0.4
159.04474	1.0
161.04570	0.5
162.61665	0.4
163.00369	1.9
165.01942	0.6
167.04999	0.4
169.06546	0.6
171.04475	0.9
178.99904	0.7
179.03607	0.3
182.03685	0.5
183.04477	0.6
185.06055	1.4
187.03970	2.0
189.05533	0.7
195.04451	0.5
197.06049	0.6
199.03999	1.0
200.04799	0.4
201.05606	0.4
211.03946	1.7
212.04576	0.5
213.05591	1.5
227.03482	22.0
228.03864	1.1
229.05048	7.9
230.05466	0.5
239.03505	1.7
240.04225	0.4
241.05058	1.4
243.03105	0.4
253.05040	0.6
255.02975	34.5
256.03577	3.6
257.04547	4.2
267.02881	0.5
271.02457	0.5
283.02856	0.3
284.03253	38.9
285.04022	65.7
286.04355	2.6
300.02783	0.6
301.03586	1.0
327.05051	0.7
331.17554	0.8
358.22720	0.3
373.18561	1.3
447.09143	0.4
579.13733	0.7
591.13348	0.9
609.14569	100.0
610.14923	11.0
643.24396	0.4
879.63452	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.6
71.56344	0.5
73.02950	0.9
75.00880	0.4
79.11442	0.4
81.03474	0.5
83.01389	2.4
85.02950	1.7
89.02454	1.5
93.03467	2.0
95.01379	1.0
97.02952	1.2
99.00841	0.5
101.02453	4.9
105.00653	0.4
107.01359	2.6
109.02930	0.5
113.02453	1.8
117.03440	0.7
119.05026	9.1
121.02974	1.5
125.02464	3.7
128.72617	0.4
132.02148	0.6
135.00888	0.7
135.04547	0.5
137.02426	1.2
143.03583	0.6
143.05028	1.6
145.02945	1.3
149.02400	1.3
151.00348	5.0
157.03864	0.4
161.02432	0.5
161.04552	1.2
163.00339	2.3
164.01132	0.8
165.01923	2.5
167.03490	1.3
177.01938	0.8
178.99831	1.1
179.03549	0.7
185.06044	0.7
185.11861	1.2
187.03983	0.9
191.03523	0.5
193.01404	6.8
197.04395	0.4
201.05420	0.4
207.03033	0.5
211.04022	0.6
219.02885	0.5
223.02464	1.4
227.03496	28.7
227.12854	0.5
228.03860	1.4
229.04962	0.7
255.02982	48.2
256.03543	4.7
257.04483	1.3
269.08154	0.5
271.06085	3.5
283.02753	0.5
283.06064	2.3
284.03256	71.6
285.03867	12.0
286.04312	0.5
311.05658	3.0
312.05807	1.8
313.07162	29.6
314.07495	1.8
329.16010	6.8
343.08209	8.5
344.08377	0.6
347.17087	7.9
348.17462	0.5
389.18161	13.1
390.18451	0.7
429.08121	0.6
431.09653	2.0
432.10056	2.4
433.11316	26.3
434.11679	1.9
464.07684	0.4
593.15106	100.0
594.15491	9.7
595.15552	0.9
701.14923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99304	3.5
73.02951	15.4
74.47074	0.9
75.00871	1.9
78.75596	0.9
81.03460	3.1
83.01382	12.9
85.02950	31.2
86.00110	2.1
86.37399	0.9
87.00876	16.4
87.04510	2.2
88.98785	1.3
89.02446	17.5
95.01392	7.0
95.88792	1.1
96.96005	1.5
97.02957	9.1
99.00885	7.7
99.04517	2.3
101.02442	39.9
103.04005	2.9
108.02204	1.1
109.02953	2.6
111.00893	5.3
112.01685	2.5
113.02447	25.9
115.00303	1.1
115.03990	3.2
115.05524	7.0
116.05867	1.1
116.92875	1.1
117.07087	2.0
119.03519	4.9
119.05103	1.0
121.02923	1.1
124.01634	1.5
125.02444	15.0
127.04015	2.5
129.01941	1.7
131.03511	5.6
135.04529	1.2
137.02435	1.5
141.01903	2.2
143.03494	11.6
144.44531	0.9
145.02879	1.0
159.02982	2.8
161.04550	7.1
161.06070	7.6
163.04031	1.1
163.06136	2.8
175.02312	1.2
179.05643	1.0
187.03993	13.0
188.04300	1.4
195.06564	1.5
205.07112	3.3
225.14609	1.0
229.31592	1.3
247.08292	1.4
256.07468	1.3
285.03955	1.2
297.27930	1.6
309.28079	1.3
327.29007	2.3
360.24908	1.1
471.33197	1.4
489.34354	13.6
490.34634	1.5
515.15485	2.3
539.82312	1.1
617.38959	4.1
633.39081	2.4
635.40076	14.4
651.39587	3.1
731.42719	1.3
743.42358	3.5
766.35254	1.2
779.44409	17.7
780.45160	1.8
797.45361	23.5
798.45801	3.5
839.46979	5.2
925.50153	100.0
926.50348	17.4
943.51202	98.7
944.51520	18.6
985.52185	48.6
986.52386	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	1030.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55979	0.6
72.00924	0.6
74.02477	10.0
81.04594	0.8
82.02986	1.6
86.02484	3.1
86.99097	0.8
87.05646	1.8
88.04046	0.6
90.00195	0.9
97.04051	1.3
99.05644	8.1
101.07233	1.1
102.05606	1.7
107.06222	0.8
109.04091	2.0
111.05646	1.0
112.04055	0.9
116.92686	0.5
123.05645	1.2
125.03580	1.3
127.05134	1.9
128.03543	25.9
129.03889	0.6
131.04636	0.6
135.05641	2.3
141.06691	1.1
143.04623	33.9
144.04971	0.5
145.06183	1.5
146.04573	1.9
153.06682	2.7
158.87599	0.5
160.00751	8.9
166.09877	1.5
167.04607	2.3
167.08246	1.8
170.03290	0.8
171.07845	0.6
177.03394	3.1
179.04634	7.6
181.06323	0.8
185.05699	1.3
192.07834	0.6
197.05659	0.8
209.11850	0.6
210.08826	7.6
225.60390	0.6
242.07864	0.8
254.07803	11.2
272.08884	14.6
277.21643	1.0
288.06549	6.2
306.07657	100.0
307.07898	3.9
341.38898	0.6
597.19092	0.6
893.77203	0.7
963.41150	0.6
1030.52051	3.3
1031.50903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99312	1.6
73.02959	1.9
78.95913	1.3
83.01404	2.9
85.02947	4.7
87.00905	1.9
88.98804	4.6
89.02451	3.2
96.96010	1.6
97.02965	1.5
101.02460	6.5
108.02253	1.3
113.02435	4.9
115.05539	81.6
116.92797	1.6
117.03458	5.1
117.07109	9.5
119.05044	3.2
121.02973	2.1
123.04524	5.1
125.02418	2.7
127.07625	1.4
134.03731	1.5
135.04514	5.8
136.01640	1.6
143.03481	3.9
143.05023	6.0
145.02893	4.4
149.02454	2.0
149.06085	1.7
151.04076	1.8
153.05583	5.8
159.08319	1.5
160.01672	1.8
161.02385	4.1
161.04752	2.2
161.06059	21.6
163.47620	1.2
165.02081	2.0
165.05562	3.1
175.02451	2.7
175.04018	3.9
179.03488	7.5
181.05064	1.7
187.04007	100.0
190.08578	1.4
203.05675	1.9
205.05060	3.8
285.04108	11.9
314.07672	1.7
329.10422	2.3
341.08701	3.0
409.07593	1.9
410.07794	1.9
439.15900	5.4
469.13440	2.1
473.14532	60.6
503.15622	8.2
515.15302	5.0
665.22437	5.1
695.21625	1.8
696.23096	1.6
703.24554	11.9
704.24219	1.9
737.23077	19.5
767.24121	5.8
1034.35632	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	1034.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02941	2.9
83.01385	3.1
85.02949	5.1
87.00857	1.7
88.98804	5.6
89.02462	3.5
96.95982	1.5
101.02438	4.8
111.00906	1.6
113.02432	5.0
115.05539	72.0
117.03451	4.2
117.07108	7.0
119.05025	2.6
123.04513	4.7
127.07633	1.4
131.03539	1.4
134.03662	1.8
135.04523	9.8
137.02310	1.6
138.65773	1.4
143.03491	3.1
143.05006	6.3
145.02930	3.5
149.02399	1.8
150.03200	2.3
151.00317	1.6
151.04033	1.6
153.05553	5.3
161.02475	3.9
161.04698	2.4
161.06047	19.2
163.04033	2.0
165.01851	1.7
165.05518	1.9
171.06435	1.4
175.02495	2.0
179.03470	10.7
180.04059	2.1
187.04001	100.0
195.06583	2.6
205.05040	4.7
271.05978	1.6
284.03320	2.3
285.04001	9.3
299.05490	1.6
314.07983	2.7
329.10101	2.3
330.10745	1.7
341.08661	3.3
390.14850	1.5
439.15842	8.9
442.31778	1.4
469.13144	3.4
473.14499	44.9
503.15405	7.0
507.35602	1.5
515.15295	4.1
703.24774	14.0
737.23035	12.3
767.23901	3.8
1034.36145	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	1035.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02982	0.6
75.00862	0.7
81.03485	0.6
85.02951	0.8
87.00874	1.1
88.98821	2.8
89.02483	0.7
93.03456	6.5
93.26211	0.5
95.01402	1.1
95.05031	0.9
97.41335	0.4
98.20589	0.9
101.02431	1.2
105.03461	0.6
107.04996	0.8
108.02177	2.2
109.02966	4.7
113.02458	0.9
115.00378	0.6
115.05531	1.6
116.92875	0.7
117.03482	0.7
117.07096	0.5
121.02951	9.6
121.03754	0.8
122.02886	1.0
122.03748	17.7
123.00867	2.9
123.04571	2.4
124.01657	1.1
125.02454	0.9
132.02177	0.8
133.02966	2.4
134.03751	1.7
135.04523	2.0
136.01659	10.1
137.02449	17.6
138.03316	2.5
139.00346	0.6
139.03995	1.5
145.02945	1.9
146.03773	2.1
147.00914	0.5
147.04514	1.6
148.01659	1.3
149.02443	38.1
149.06085	2.1
150.03229	100.0
151.00386	11.3
151.04022	15.5
152.01134	2.0
152.04750	2.0
153.01967	2.0
153.05562	1.9
159.04456	1.2
160.05412	0.6
161.02440	2.2
161.06117	1.9
162.03220	3.0
163.03992	3.1
164.01134	0.7
164.04796	9.4
165.01929	23.7
165.05568	84.9
166.02713	25.8
166.05859	3.0
167.03568	3.7
168.04333	3.0
173.02373	0.6
175.02560	0.8
175.03920	2.3
176.01094	0.8
176.04784	0.7
177.01920	2.9
177.05597	5.4
178.02730	1.4
179.03510	7.6
179.07115	6.4
180.02669	1.0
180.04280	18.2
181.05067	29.9
182.05345	0.9
184.03778	1.2
187.04025	5.0
188.04411	0.5
190.02681	0.8
190.06308	1.3
191.03482	1.8
192.04193	2.2
192.56839	0.5
193.05051	3.6
194.05864	2.1
195.02882	1.6
195.06622	64.2
196.06960	1.9
202.06409	0.5
204.04311	1.2
205.05067	7.3
206.05710	1.0
207.06580	2.6
209.04544	0.6
209.08199	1.1
210.05292	2.2
219.06621	1.5
220.07382	3.5
221.08208	1.3
223.06084	1.0
225.07703	10.8
253.05031	1.0
256.07422	1.3
271.09692	0.7
279.06827	0.7
282.05389	0.6
283.06409	0.5
285.03918	0.8
296.06830	0.6
297.07822	1.1
299.09232	1.2
300.09888	0.9
301.10812	0.6
315.08832	0.9
325.07266	0.7
325.10974	0.7
329.10272	1.6
339.08817	0.6
341.10260	1.0
343.11853	4.0
353.10544	0.6
355.12039	0.6
357.09601	0.7
357.13565	0.8
359.11322	0.6
371.11356	0.7
372.11969	0.8
373.12909	27.4
374.13025	1.4
385.12799	0.5
386.13553	0.9
387.09955	2.8
387.15067	4.4
388.11383	1.1
402.13315	2.3
403.13962	10.6
404.14029	0.7
415.14166	0.6
416.14725	1.6
417.15506	24.6
418.15860	1.8
421.15088	15.7
422.15164	1.0
473.14471	1.0
504.07983	0.5
505.15021	0.8
520.93286	0.5
535.16461	2.1
547.19873	0.5
550.18512	1.9
551.18799	1.2
565.20844	40.9
566.21167	3.6
577.20361	1.3
581.20148	0.6
583.21417	0.6
594.21411	0.7
595.21851	21.4
596.22595	2.2
599.21173	1.0
613.22876	16.6
614.22656	2.2
643.24048	1.5
667.11121	0.5
720.76898	0.6
731.49152	0.5
743.26984	3.5
773.27985	1.9
791.28937	4.6
821.29944	1.9
839.31500	3.1
840.32410	0.6
918.72333	0.5
939.33826	0.7
969.34753	2.4
987.37250	1.3
992.32703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01727	0.6
72.99288	1.1
73.02943	9.2
75.00869	0.8
81.03446	0.8
83.01385	4.2
85.02947	13.1
85.03458	0.8
87.00860	3.1
87.04516	0.5
89.02442	6.1
95.01428	2.2
96.96054	0.8
97.02941	1.3
99.00882	4.3
101.02443	19.7
103.03995	2.0
108.02164	0.5
111.00856	0.5
113.02451	13.3
115.03999	0.8
119.03495	2.3
119.44629	0.4
123.04530	1.1
125.02435	2.7
127.04026	0.8
129.01862	0.5
131.03477	1.1
135.04449	0.4
137.02431	0.6
143.03505	4.6
145.02979	0.5
145.05118	0.5
148.05293	1.1
159.03004	2.1
161.04544	16.0
161.05872	1.0
163.06110	1.8
163.07562	0.8
169.12341	1.1
175.03943	0.4
179.05621	0.5
187.03963	0.6
205.07169	1.4
227.03461	3.5
228.03830	0.6
255.02974	5.7
256.03351	1.5
265.14438	1.3
284.03223	7.8
285.03879	3.0
286.03983	0.9
293.04434	0.4
313.16534	2.0
331.17578	9.8
365.10831	1.4
373.18625	3.5
459.22388	1.1
471.18677	1.6
477.23410	42.2
478.23743	3.2
519.24432	100.0
520.24786	7.4
563.30676	0.8
577.15656	7.8
578.15991	3.3
579.08185	0.4
579.16071	2.3
619.07227	0.4
632.56360	0.5
639.38953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01727	0.6
72.99288	1.1
73.02943	9.2
75.00869	0.8
81.03446	0.8
83.01385	4.2
85.02947	13.1
85.03458	0.8
87.00860	3.1
87.04516	0.5
89.02442	6.1
95.01428	2.2
96.96054	0.8
97.02941	1.3
99.00882	4.3
101.02443	19.7
103.03995	2.0
108.02164	0.5
111.00856	0.5
113.02451	13.3
115.03999	0.8
119.03495	2.3
119.44629	0.4
123.04530	1.1
125.02435	2.7
127.04026	0.8
129.01862	0.5
131.03477	1.1
135.04449	0.4
137.02431	0.6
143.03505	4.6
145.02979	0.5
145.05118	0.5
148.05293	1.1
159.03004	2.1
161.04544	16.0
161.05872	1.0
163.06110	1.8
163.07562	0.8
169.12341	1.1
175.03943	0.4
179.05621	0.5
187.03963	0.6
205.07169	1.4
227.03461	3.5
228.03830	0.6
255.02974	5.7
256.03351	1.5
265.14438	1.3
284.03223	7.8
285.03879	3.0
286.03983	0.9
293.04434	0.4
313.16534	2.0
331.17578	9.8
365.10831	1.4
373.18625	3.5
459.22388	1.1
471.18677	1.6
477.23410	42.2
478.23743	3.2
519.24432	100.0
520.24786	7.4
563.30676	0.8
577.15656	7.8
578.15991	3.3
579.08185	0.4
579.16071	2.3
619.07227	0.4
632.56360	0.5
639.38953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	0.4
77.42506	0.3
83.01337	0.3
85.02943	0.7
88.98811	1.0
89.02461	0.4
101.02460	0.5
115.05535	1.1
116.92877	0.3
152.14197	0.3
159.08125	0.9
161.06012	0.5
168.05710	0.4
169.06480	0.5
181.06572	1.9
182.07352	1.7
183.08139	20.8
184.08446	1.0
185.06075	3.5
187.04016	1.2
195.08174	0.3
197.06100	1.0
198.06870	4.2
199.07256	0.3
213.05615	1.4
225.05565	2.2
226.06348	29.6
227.07127	100.0
228.07455	4.1
239.07072	0.4
241.05054	3.6
251.07124	2.7
255.06657	0.8
256.07416	6.7
257.07809	0.5
267.07071	0.3
269.08167	4.0
271.09753	3.5
272.10040	0.5
371.11539	0.4
389.12408	57.2
390.12708	4.2
413.12433	4.2
414.12625	0.5
431.13303	0.4
457.11386	56.1
458.11728	3.9
475.12433	11.2
476.13046	0.8
491.15112	0.3
579.21033	0.6
776.96149	0.3
784.69543	0.3
1037.32800	6.5
1038.32690	1.7
1051.57471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
80.34985	0.2
83.01373	0.4
85.02947	0.2
93.03448	0.3
99.04501	0.2
107.01394	0.7
125.02454	0.6
132.02191	0.3
135.00888	0.5
135.04399	0.3
137.02441	0.3
151.00360	1.8
152.01158	0.2
155.05092	0.2
163.00345	0.5
164.01120	0.4
167.03586	0.2
167.04988	0.3
178.99869	1.0
183.04492	0.8
185.06061	0.3
187.03853	0.2
190.99944	0.2
195.04524	0.2
199.04118	0.2
201.05602	0.3
211.03990	0.9
213.05675	0.2
227.03488	35.5
228.03865	1.6
229.04965	0.9
239.03487	0.5
240.04233	0.3
241.05063	0.3
253.05019	0.7
255.02985	55.3
256.03635	5.3
257.04474	0.6
281.04584	0.2
283.02484	0.8
284.03253	75.3
285.03909	11.2
286.04306	0.4
290.68042	0.2
309.04004	0.3
327.04990	0.7
429.08057	0.6
435.12808	0.8
447.08997	0.3
593.15100	100.0
594.15442	8.4
609.15161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.522
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	1.5
73.02946	1.2
75.00856	0.7
83.01393	3.4
84.02140	0.5
85.02966	1.7
87.00876	41.7
89.02451	1.1
94.99288	0.3
97.02952	0.5
99.00874	0.8
101.02439	1.5
111.00880	2.9
112.98809	0.8
113.02464	1.6
115.00375	52.6
116.00717	1.0
125.02422	0.5
127.00426	1.3
129.01939	0.5
139.00372	3.1
149.14687	0.2
157.01407	4.6
175.02472	100.0
176.02818	2.0
189.82288	0.2
193.01453	0.3
195.13774	0.4
197.15445	0.4
211.13248	0.5
219.14030	0.3
221.06732	0.4
223.13455	0.6
225.15018	0.6
235.17030	0.8
237.14973	0.6
239.16660	1.3
241.14481	2.2
247.13361	1.1
253.14401	0.5
253.18173	0.6
255.16020	0.8
259.04846	0.3
261.14938	1.6
263.16510	0.9
265.14481	0.5
269.14026	0.4
274.97348	0.3
277.21689	4.1
279.16019	0.4
281.17642	0.7
287.14972	0.4
289.14389	0.8
290.00128	0.3
307.15369	0.6
397.13458	0.8
409.77460	0.3
515.46283	0.3
911.49500	0.4
915.48877	0.4
927.49542	4.9
928.49805	1.0
941.50787	3.7
942.51208	0.9
945.50714	2.6
949.34650	0.4
965.51178	2.3
966.50525	0.6
983.52222	6.4
984.52435	1.0
985.49524	1.7
1027.51282	1.0
1028.52649	0.6
1045.50012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99310	1.7
73.02930	0.7
75.00868	0.6
83.01387	3.2
85.01016	0.4
85.02944	1.7
87.00875	42.3
88.01193	0.6
89.02451	1.1
91.67077	0.4
95.01376	0.4
97.21474	0.4
99.00885	0.7
101.02451	1.7
103.37277	0.4
104.98813	0.3
111.00892	3.6
112.43035	0.4
112.81744	0.5
112.98795	0.7
113.02460	1.6
115.00372	55.2
116.00647	0.6
125.02401	0.5
126.77203	0.4
127.00369	0.8
139.00395	3.4
154.29088	0.4
157.01410	4.3
175.02469	100.0
176.02850	2.0
221.06647	0.4
225.14955	0.5
239.16440	0.6
241.14488	1.9
247.13434	0.9
253.66556	0.4
261.14932	1.6
269.14029	0.4
277.21722	4.0
278.21875	0.4
281.17435	0.9
289.14294	0.6
333.14441	0.4
397.13556	1.0
402.89935	0.4
444.08618	0.4
592.26550	0.4
927.49451	6.5
928.50195	1.0
941.50861	3.7
942.51337	0.6
945.50647	2.5
965.51154	1.8
983.51874	5.3
984.52515	1.0
985.49756	1.0
1027.50354	0.9
1045.51733	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02958	2.1
79.95715	0.6
83.01387	1.1
83.41845	0.4
85.02959	1.9
89.02457	0.4
91.05505	0.5
97.02965	0.9
98.27893	0.4
101.02442	3.2
113.02448	2.0
115.05541	70.8
116.05867	1.8
117.03454	2.3
117.07108	9.8
118.07454	0.5
121.02873	0.6
123.04525	4.6
125.02444	3.2
133.06624	0.5
143.03532	1.7
143.05023	7.7
149.02475	0.6
161.06082	25.2
162.06400	0.5
163.04030	0.9
180.15248	0.4
187.04007	100.0
188.04333	3.5
203.05568	1.2
205.05104	3.6
212.08472	0.7
227.10812	2.3
273.92535	0.4
285.09811	1.0
307.06180	3.2
323.11349	3.4
345.11853	1.7
455.13461	0.6
473.14502	40.0
474.15012	3.2
489.17740	0.6
511.14508	1.1
515.15607	20.4
516.16168	2.0
557.16693	1.7
581.29193	0.5
737.23035	3.0
738.21918	0.5
779.24036	15.5
780.24554	1.3
969.52496	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1047.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02957	2.8
79.01920	0.2
81.03467	0.4
83.01409	0.6
85.02943	1.0
91.05542	0.4
93.03461	0.6
95.01361	0.2
95.05045	0.3
95.60686	0.2
96.78078	0.1
97.02949	1.3
98.19738	0.4
99.00881	0.2
99.61961	0.2
101.02452	2.3
104.88810	0.2
113.02451	1.2
115.05541	83.5
116.05884	2.4
117.03478	2.5
117.07107	11.4
118.07429	0.4
119.03541	0.4
121.02951	0.3
123.04533	5.1
125.02449	4.1
131.03484	0.3
133.06622	0.2
143.03528	1.4
143.05031	7.4
144.05380	0.3
149.02376	0.3
155.03534	0.4
161.06079	26.9
162.06416	0.7
185.04544	0.6
187.04004	100.0
188.04341	4.1
203.05624	0.8
205.05058	4.2
205.06822	0.4
221.09698	0.6
223.11351	0.2
230.18030	0.3
242.41800	0.2
245.06660	0.3
247.09880	0.2
248.32233	0.2
249.09180	0.2
267.10312	0.3
285.09808	1.2
323.11331	4.1
345.11865	2.6
365.12311	0.2
455.13501	0.8
469.13370	0.4
473.14523	57.1
474.14886	4.5
489.17743	0.8
511.14346	1.4
515.15588	11.8
516.15973	0.9
557.16644	1.2
658.53058	0.2
737.23163	2.6
779.24017	23.1
780.24249	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	1047.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02956	2.0
73.29411	0.3
83.01369	1.1
85.02965	0.8
97.02960	1.1
101.02431	2.0
113.02438	0.9
115.05539	70.0
116.05885	1.6
117.03466	1.7
117.06264	0.5
117.07110	10.3
123.04526	4.6
125.02454	3.5
143.03549	0.9
143.05026	6.3
149.02431	0.4
155.03433	0.4
161.06082	27.7
162.06412	0.9
171.67943	0.4
177.06012	0.3
185.04518	1.0
187.04002	100.0
188.04317	3.2
203.05681	0.7
205.05054	5.0
221.09665	0.5
285.09775	1.2
323.11328	4.4
345.11938	2.5
455.13394	0.6
473.14511	55.2
474.14868	5.8
489.17917	0.5
511.14508	1.8
515.15582	12.1
516.15942	1.4
557.16260	0.9
737.23004	2.3
738.23291	0.5
779.24030	21.2
780.24396	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	1047.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02946	2.4
81.03475	0.3
83.01383	0.6
85.02960	0.8
91.05542	0.4
93.03452	0.2
95.01407	0.3
95.04996	0.2
97.02958	0.9
99.00874	0.3
101.02441	2.4
101.94333	0.2
112.13458	0.2
113.02443	1.7
113.51498	0.2
115.05538	75.4
116.05879	2.0
116.30809	0.2
117.03463	2.5
117.07109	11.6
118.07392	0.3
119.03553	0.4
119.05131	0.3
120.96963	0.2
121.03000	0.3
123.04515	5.0
125.02447	3.8
130.27023	0.3
131.03500	0.2
133.06586	0.4
143.03566	1.4
143.05025	7.6
161.06075	27.5
162.06447	0.8
176.57199	0.2
185.04602	0.5
187.04001	100.0
188.04353	3.4
193.86528	0.2
201.68886	0.2
203.05614	0.7
205.05046	4.2
221.09732	0.5
245.06633	0.3
267.10352	0.3
285.09714	1.2
323.11319	3.8
345.11942	2.7
369.64780	0.3
455.14084	0.5
473.14514	52.9
474.14896	3.7
489.17691	0.8
511.14420	1.5
515.15570	12.1
516.16003	1.0
557.16760	1.0
625.97528	0.3
737.22986	2.5
779.24042	22.3
780.24536	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	1047.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02947	2.3
77.22579	0.2
77.70557	0.2
81.03477	0.3
81.19031	0.2
83.01413	1.1
85.02953	1.0
89.02447	0.2
91.05518	0.3
93.03476	0.6
95.01363	0.4
97.02958	1.5
98.19836	0.5
99.00912	0.3
101.02456	2.4
113.02469	1.6
115.05537	81.3
116.05882	2.7
117.03481	2.3
117.07105	10.7
118.07430	0.3
119.03549	0.4
121.02949	0.5
123.04520	4.9
125.02441	3.8
128.03641	0.2
133.06610	0.4
143.03506	1.3
143.05031	8.7
144.05412	0.3
155.03537	0.3
161.06076	27.4
162.06380	0.8
185.04581	0.8
187.03998	100.0
188.04320	3.5
203.05592	0.9
205.05048	4.2
205.62929	0.2
221.09785	0.5
230.07332	0.3
245.06665	0.3
285.09784	1.0
285.61765	0.2
323.11353	3.3
345.11835	2.7
351.27603	0.2
365.12338	0.4
372.35809	0.3
379.38791	0.2
395.69629	0.2
455.13214	0.6
469.13757	0.4
473.14496	54.9
474.14905	4.0
489.17767	0.8
511.14572	1.7
515.15576	12.6
516.16046	0.9
557.16760	1.2
558.16638	0.3
737.22998	1.9
779.24011	22.6
780.24261	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	1047.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02953	2.2
81.03471	0.4
83.01378	1.1
85.02950	1.3
93.03448	0.7
97.02957	1.2
101.02458	1.9
113.02457	1.5
115.05537	81.1
116.05897	2.9
116.92857	0.7
117.03467	2.3
117.07108	10.2
118.07433	0.5
123.04516	4.7
125.02440	3.6
143.03531	1.4
143.05020	7.7
149.02452	0.4
155.03539	0.7
161.06076	26.7
162.06380	0.7
185.04530	0.6
187.03999	100.0
188.04341	3.3
203.05559	0.9
205.05067	4.0
221.09758	0.9
231.16937	0.4
268.76367	0.4
273.38416	0.4
285.09830	1.6
323.11365	2.9
345.11942	2.5
413.31161	0.4
425.03174	0.4
455.13715	0.8
473.14514	50.7
474.14911	3.3
481.36075	0.4
489.17838	0.8
497.14621	0.4
511.14621	1.4
515.15594	11.9
516.16052	0.7
557.16998	0.5
737.22931	2.2
779.24030	19.3
780.24255	2.6
824.18604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	1.2
73.02947	10.2
75.00864	0.7
81.03465	1.7
83.01383	5.8
85.02952	16.7
87.00882	2.7
87.04505	0.7
88.08028	0.4
88.98791	2.4
89.02455	4.3
93.03464	1.7
95.01394	4.3
97.02957	2.6
99.00879	6.4
99.04478	0.4
101.02444	20.8
103.00332	0.5
103.04022	1.0
105.01944	1.4
107.01391	0.4
108.02199	1.9
108.02817	0.4
109.02959	1.1
111.00873	1.1
111.04533	0.9
113.02450	17.4
115.04018	0.6
115.05531	7.4
116.05891	2.2
117.07101	1.3
119.03491	1.3
121.02940	3.0
122.03731	1.8
123.00880	0.5
123.04523	1.2
125.02456	4.7
127.00359	0.9
127.04050	0.9
129.01939	0.9
131.03499	1.0
134.03702	0.6
136.01663	53.9
137.02516	2.1
139.00391	0.9
141.01866	0.6
143.03503	4.3
143.05042	0.7
149.06046	0.4
151.04007	76.8
152.04332	1.8
159.03020	4.7
159.04376	0.5
160.05289	1.3
161.04559	15.9
161.06064	3.3
162.03249	0.7
162.06401	0.7
163.04010	0.9
163.06192	0.6
167.03455	0.7
167.35699	0.4
169.01416	1.2
175.02495	0.5
175.03970	0.6
175.07639	1.2
177.05626	0.8
179.03432	0.4
180.04471	0.4
180.14505	0.4
185.04546	3.0
187.03992	9.4
188.04333	3.6
189.04460	0.7
190.06372	0.4
191.03728	0.4
205.03447	0.7
211.02385	0.5
229.03537	5.9
289.09293	2.1
311.12848	0.7
315.18097	9.8
316.18878	0.4
327.11932	0.4
342.11066	3.7
343.11545	0.5
357.13422	62.1
358.13840	3.5
361.16632	0.6
406.72879	0.5
425.21960	1.4
443.22943	1.0
461.23920	100.0
462.24274	6.6
473.14661	1.8
474.14920	2.0
475.15268	1.8
501.17584	0.5
503.24893	5.8
504.25229	0.5
515.15436	0.6
516.16113	0.8
519.18597	7.0
520.19189	0.8
529.22913	45.1
530.23279	3.5
571.23840	2.2
587.17700	31.2
588.17932	3.2
601.24713	0.5
613.25238	1.3
673.27252	0.6
700.40234	0.4
739.24194	0.4
780.24799	0.8
781.25330	1.8
943.50897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1049.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99308	1.3
73.02946	8.1
83.01392	5.7
85.02953	15.3
87.00855	2.7
88.98820	1.6
89.02441	4.8
91.91805	0.6
95.01394	3.0
97.02927	0.9
99.00884	3.6
101.01781	1.3
101.02446	22.3
111.00877	1.1
113.02448	13.2
115.03970	0.7
115.05522	1.8
116.92871	1.3
117.03483	1.6
119.03510	1.0
119.05059	1.1
123.04545	0.7
125.02431	1.9
129.01996	0.6
131.03455	1.2
135.04488	1.3
136.01660	0.8
137.02470	0.6
143.03499	1.5
143.04945	0.6
145.02939	3.8
159.02971	2.0
161.02490	0.8
161.04536	3.9
161.06003	1.5
163.03972	1.4
165.05560	1.3
165.64340	0.5
173.24817	0.6
175.02487	1.3
175.03883	1.0
179.03481	0.8
187.03978	2.5
195.06732	0.6
205.05232	0.8
221.06648	0.7
241.05193	0.8
253.79164	0.6
255.02956	1.3
271.09729	2.3
281.11105	0.6
283.02499	1.6
284.03122	0.7
341.09915	0.6
402.85431	0.7
433.15085	1.3
461.11392	1.2
473.14499	1.3
575.19165	1.3
619.18182	1.2
665.22278	0.8
725.44812	2.6
887.50067	9.7
888.50537	2.0
892.56604	0.6
977.88885	0.6
1049.55432	100.0
1050.55688	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	1049.6789
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95905	15.6
91.52383	0.2
96.97015	0.4
115.00418	0.3
118.96818	0.2
122.98627	0.4
134.08118	0.2
152.99591	2.5
168.04298	2.8
175.02452	0.4
194.05902	0.3
220.44539	0.3
224.06912	7.8
242.07942	1.9
255.23288	92.7
256.23642	5.3
280.85706	0.3
423.37537	0.2
480.30936	100.0
481.31329	7.4
495.27225	0.6
554.34656	3.7
555.35052	0.3
737.89319	0.2
782.40417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99318	4.9
73.02950	17.6
75.00879	1.2
76.54964	0.8
83.01385	5.8
85.02952	17.0
86.00101	3.0
87.00877	12.2
87.04502	4.1
89.02448	15.7
95.01368	1.8
97.02959	1.8
99.00909	3.8
99.04552	1.2
101.02445	43.6
103.04008	11.9
105.94513	0.7
109.02937	1.2
109.25100	0.8
113.02459	13.9
115.04033	6.9
119.03513	8.8
125.02415	3.6
127.04047	1.0
131.03517	14.4
133.30014	0.8
143.03496	18.4
145.05078	4.9
151.00345	2.6
159.02989	1.2
161.02434	0.8
161.04556	5.5
163.00357	0.9
163.06125	75.2
164.06364	1.4
179.03523	0.9
187.03954	1.1
203.05602	2.7
205.07167	46.6
206.07535	1.4
211.03960	0.9
213.05539	1.1
227.03490	46.1
228.03925	2.7
229.04999	1.8
234.59760	0.8
239.03510	1.0
243.02899	0.8
247.08220	40.4
248.08531	1.7
255.02975	66.3
256.03555	7.8
257.04385	2.4
265.09256	10.2
284.03259	62.7
285.04010	28.1
286.04306	1.1
289.09406	2.6
307.10284	3.1
325.11450	1.3
349.11456	2.8
357.06073	1.1
367.12427	1.9
413.21869	1.9
447.09308	100.0
448.09695	6.6
460.89090	0.9
517.26520	20.2
518.27148	0.9
559.27594	57.4
560.27759	5.4
568.03168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99284	0.4
73.02946	3.7
82.64159	0.3
83.01381	2.7
85.02956	8.6
87.00872	0.9
89.02445	2.5
93.76100	0.3
95.01379	1.6
97.02952	0.5
99.00896	2.0
101.02449	12.0
113.02449	7.5
115.05535	0.6
119.03482	1.0
125.02422	0.5
129.01892	0.4
143.03462	0.7
159.03001	1.1
161.04582	4.0
161.05922	0.6
187.03976	0.7
213.05568	17.9
214.05959	0.8
221.06683	0.5
241.05067	25.5
242.05365	1.0
246.44060	0.3
255.06558	0.9
256.07407	35.4
257.07880	1.7
271.09766	22.6
272.10098	1.2
340.95157	0.3
423.32870	0.5
425.34320	2.0
431.62085	0.3
617.40796	3.4
779.45868	100.0
780.46204	13.9
972.81274	0.4
1051.57715	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	1053.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02965	0.4
83.01396	0.3
85.02950	0.5
87.00894	1.3
88.00414	0.4
88.98811	100.0
89.02440	0.5
89.99158	0.7
96.96001	0.2
101.02472	1.1
111.31824	0.2
113.02456	0.9
115.00379	1.0
115.05545	2.5
116.92873	0.3
117.03471	0.6
117.07100	0.6
119.03529	0.4
119.04993	0.3
121.92668	0.2
122.03795	0.3
123.00894	0.4
123.04558	0.5
124.01679	0.3
132.02159	0.5
134.03732	0.4
136.01656	0.6
137.02422	0.3
145.02977	2.0
149.02419	0.4
150.03242	1.3
151.03998	0.7
159.04515	0.2
160.01636	1.4
161.02321	0.4
161.04713	0.4
161.06093	1.6
162.03241	0.4
163.04025	0.7
165.01904	0.3
165.05524	1.2
175.02489	1.3
175.04030	1.9
176.02794	0.3
177.05502	0.3
180.04324	0.3
181.05040	0.3
187.04008	3.9
188.04408	0.5
193.05058	0.8
195.06607	0.5
205.05064	0.8
241.05002	0.2
244.16353	0.2
253.04982	0.2
283.25403	0.2
301.10663	0.3
307.08362	0.9
327.12604	0.3
337.09418	1.5
357.13651	0.4
470.13724	0.4
473.14435	2.9
474.15048	0.9
515.16010	0.3
543.37274	0.2
667.33746	0.5
695.22400	3.9
696.22327	1.1
786.31891	0.2
787.31207	0.3
847.39197	0.4
891.31427	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
77.15578	0.2
83.01389	0.5
83.33257	0.2
91.01902	0.3
92.09966	0.2
93.03447	0.3
98.20591	0.4
107.01382	2.3
108.02170	1.1
109.02959	0.9
113.11365	0.2
118.88113	0.2
119.01372	0.2
121.02941	1.5
124.01574	0.2
130.09160	0.2
132.44038	0.2
135.00876	0.7
136.15123	0.2
148.01622	1.1
149.02463	0.4
151.00365	8.7
152.01030	0.2
155.04936	0.2
159.04488	0.3
163.00366	2.0
164.01109	0.6
169.01506	0.2
175.04053	0.2
178.98245	0.3
178.99838	4.2
183.04514	0.4
185.06081	0.2
187.03993	0.3
190.99902	0.3
192.00609	0.4
198.03134	0.3
199.03975	0.5
201.05562	0.2
211.03972	0.9
213.01674	0.2
215.03510	0.7
216.04213	0.5
226.02686	1.1
227.03488	4.1
228.03940	0.3
229.01489	0.3
229.05022	0.6
239.03418	0.2
243.02969	8.2
244.03349	0.5
245.04478	0.9
254.02248	1.8
255.02966	23.8
256.03369	1.4
257.04474	0.3
266.02155	0.3
271.02457	44.7
272.02890	2.9
273.04050	0.8
283.02484	1.0
284.03259	5.0
285.03906	0.8
299.01965	1.1
300.02728	80.9
301.03470	37.2
302.03885	1.7
343.04456	0.2
463.08786	100.0
464.09091	5.9
474.09326	0.2
570.49512	0.2
593.15155	5.1
594.15662	0.5
701.15594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
73.19218	0.4
82.78400	0.5
83.01376	0.4
85.02934	0.5
93.02962	0.6
93.03460	7.7
101.02404	0.5
107.01330	0.5
110.97675	0.4
113.02382	0.5
113.68497	0.5
117.03465	0.9
123.04503	0.9
124.01653	1.1
125.02426	1.5
132.02118	1.4
133.02904	0.9
134.03665	1.2
135.04482	0.6
137.02397	0.8
142.48929	0.5
143.04991	0.5
145.02945	0.7
147.04437	0.7
149.02330	0.7
149.06026	0.5
149.99525	0.7
151.00337	1.4
154.56346	0.4
155.04977	0.5
159.04529	0.5
160.01616	1.0
161.02405	0.4
163.00345	0.9
163.03911	0.5
164.01077	1.9
167.04984	0.6
169.02924	0.5
174.03067	0.5
175.03935	2.0
176.04745	0.6
177.01921	0.8
178.87862	0.5
183.04428	1.8
185.02376	0.5
185.06027	0.5
187.03905	1.4
189.01952	0.7
191.66263	0.5
193.04982	0.6
197.06084	0.7
198.03189	0.9
198.52907	0.4
199.03975	2.7
202.02686	0.6
207.04625	0.4
209.02406	0.6
209.06023	1.5
211.03972	2.0
213.01884	0.9
214.02603	1.3
215.00020	0.4
215.03314	0.6
217.04823	0.5
223.04022	3.5
224.04863	0.7
225.01816	1.6
225.05522	0.9
226.02596	1.2
227.01309	0.9
227.03490	15.1
227.06874	0.6
227.55457	0.4
228.03902	0.7
229.04924	0.9
231.02904	1.4
237.01849	1.2
238.02701	0.6
239.03462	1.6
240.04112	0.8
241.01353	0.5
241.04945	0.8
243.02972	10.0
244.03271	0.8
247.07513	0.7
248.04866	0.5
249.02138	0.4
249.05414	0.5
251.03445	1.0
252.04216	1.0
253.01479	1.3
253.05054	21.3
254.02184	1.5
254.05365	0.6
255.02982	47.4
256.03537	4.0
259.07452	0.5
263.03406	0.5
263.07068	0.6
263.68845	0.5
265.04886	1.2
267.00180	0.9
267.03000	13.6
267.06326	1.5
268.03525	0.7
269.00806	3.7
269.04468	1.2
270.01315	0.8
271.05838	1.0
272.90988	0.5
273.07581	0.8
275.06982	1.4
277.05136	1.0
278.05609	0.7
279.02960	2.4
279.05978	0.6
281.00952	3.7
282.01581	1.4
283.02466	4.0
284.03256	16.3
285.04022	11.8
287.07040	0.6
289.04950	0.9
291.06512	1.7
292.03827	0.6
293.00851	3.9
293.04440	2.7
293.07559	0.8
294.01486	1.3
295.02573	7.2
295.05728	1.1
296.02982	0.9
297.03946	1.1
298.01184	3.1
299.01880	1.4
303.06522	1.0
305.04547	0.7
306.05115	0.8
307.02545	5.0
307.05798	0.7
309.03772	0.5
311.01926	2.0
315.06662	1.3
317.04416	1.6
317.08234	1.3
319.05887	2.5
320.06616	0.5
321.07782	0.5
325.03366	0.7
327.04959	0.6
331.06152	1.4
331.17981	0.5
333.03860	0.4
333.07556	0.8
335.05484	1.1
343.05966	1.7
345.07559	0.8
347.05515	2.0
348.06216	1.2
349.06787	0.6
357.07788	0.9
359.05710	3.5
360.06244	1.8
361.07166	30.5
362.07425	1.9
369.07568	0.9
373.07211	0.7
375.05087	2.2
376.05716	2.4
377.06351	0.5
383.05560	0.8
385.07227	0.7
387.05093	8.1
388.05667	1.4
389.06622	2.0
391.04175	0.6
400.05829	1.3
401.06390	2.6
403.04514	5.1
404.05188	4.3
405.05991	2.0
413.06543	1.3
415.04462	2.4
417.06265	0.6
423.08722	0.6
431.03516	2.3
432.04773	5.1
433.05615	2.6
445.05551	5.4
446.06137	0.9
447.09317	29.2
448.09476	1.6
452.08646	0.7
454.07251	0.7
463.08426	1.0
467.11240	0.6
470.10034	0.7
475.08685	2.8
487.09268	0.7
494.09891	1.1
495.10706	1.6
521.09015	1.2
538.09015	2.7
539.09839	22.2
540.10114	1.6
563.12054	0.5
581.12988	7.1
582.13232	0.7
583.10889	9.9
584.11414	0.8
595.10681	0.8
607.11151	0.6
609.16138	5.3
610.16724	0.7
657.15112	0.7
701.15070	100.0
702.03894	0.9
702.15369	11.7
769.18176	0.8
881.21887	4.0
1057.26221	23.7
1058.26245	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	1059.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95735	1.1
80.05048	1.2
80.07907	0.9
82.46279	1.0
83.01366	2.6
85.02956	9.7
87.00849	2.3
88.98774	1.4
89.02438	11.1
89.36578	0.8
95.01395	4.2
96.96019	5.9
97.02929	1.0
99.00883	1.4
101.02443	12.5
106.06625	8.0
108.02177	24.9
109.02956	15.5
113.02438	9.6
116.92852	1.4
119.03497	5.4
120.08157	2.6
121.02916	1.0
122.06118	12.9
123.00795	1.1
132.04520	1.9
134.06123	44.6
135.06416	1.0
136.01614	1.1
136.07706	2.0
145.02931	1.3
146.06075	1.6
150.03151	1.6
150.05641	1.7
152.07166	8.8
158.02464	1.1
158.06258	0.9
160.04082	0.9
161.04616	1.6
161.41876	0.8
162.05550	1.3
165.05579	1.7
174.05588	1.0
175.02428	1.3
190.05125	5.1
195.06645	1.4
211.08644	2.4
213.10268	2.0
215.11844	3.3
221.10826	2.2
223.08742	3.6
224.09474	2.2
225.10263	3.8
226.11072	1.0
235.08684	1.5
236.09496	1.2
237.06516	1.7
237.10316	3.3
238.11009	1.4
239.11914	6.3
241.05029	0.9
241.13370	2.1
249.06496	1.4
249.10304	4.3
250.07448	3.9
251.08301	5.7
251.11758	4.5
253.13461	2.0
261.10382	3.3
263.08200	5.1
263.11771	1.2
264.08997	5.6
265.09772	15.2
266.10223	1.5
267.11322	2.2
269.12793	2.0
271.10666	1.6
275.08377	1.2
276.08969	1.4
277.09845	7.5
278.10483	2.3
279.11368	9.1
281.13022	1.1
283.10773	1.7
285.12418	2.1
287.13992	4.0
290.07272	1.1
291.07980	1.4
291.11404	4.1
292.08725	1.5
292.12027	1.1
293.04645	1.1
293.12958	1.3
295.10861	1.8
304.08530	0.9
305.09393	9.5
306.09857	1.2
307.10995	2.9
314.12439	3.2
318.16183	1.4
323.10574	1.7
325.11627	1.5
330.12228	1.6
332.13895	1.3
337.11792	5.6
339.13663	1.9
342.12625	1.9
342.16061	4.5
343.13120	1.1
343.16931	1.5
344.13843	2.9
346.15616	5.3
354.12262	1.6
356.10275	1.4
356.14072	3.2
358.15524	3.8
359.16422	1.7
360.17172	4.2
368.14154	1.8
369.14963	1.5
370.11649	2.0
370.15588	3.2
372.13348	2.3
372.17227	2.4
373.14072	2.4
374.15298	2.0
382.15802	1.1
384.13162	2.4
384.17249	3.5
386.14914	13.1
386.19012	1.9
387.15256	1.9
388.16769	1.1
398.14996	3.3
399.15598	1.9
400.16583	2.8
402.18213	2.0
410.14999	2.4
411.15512	1.3
412.16772	2.4
414.18155	2.1
424.16669	1.7
428.16000	6.1
430.17773	2.6
440.16162	1.6
442.17807	1.1
452.15918	1.9
460.19330	2.1
472.18530	2.0
490.19427	1.3
491.20724	1.4
493.22305	1.6
517.18311	6.4
518.19293	1.1
541.22015	2.8
547.23767	1.1
575.23175	1.8
592.23279	1.7
593.23999	1.6
604.22321	1.3
611.25293	1.2
632.22577	4.9
633.22626	1.7
652.24164	1.3
664.24982	6.1
665.25061	1.3
687.31476	1.5
701.28052	1.9
713.28223	4.9
714.29150	1.7
727.29590	1.8
733.30835	2.6
745.30267	1.1
755.29303	100.0
756.29657	13.0
773.30426	8.4
787.31982	64.7
788.32385	9.4
805.33063	8.2
806.32281	1.2
847.33118	1.4
863.30908	2.4
864.32080	2.9
904.31006	8.1
905.31799	2.5
917.35504	1.1
936.33240	7.9
937.33728	1.7
949.38373	1.4
959.38959	2.2
983.37842	1.4
985.36591	7.4
986.38239	6.6
1027.38281	49.6
1028.38647	9.1
1059.40869	53.8
1060.41296	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	1063.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00866	0.4
80.50262	0.2
83.01376	0.8
85.02955	3.4
87.00886	0.6
88.98813	0.2
89.02446	2.6
91.05533	3.2
93.03474	0.4
95.01373	1.5
96.96062	0.2
97.02953	0.2
100.41969	0.2
101.02452	5.5
105.01960	0.4
113.02455	8.6
113.03252	0.4
114.02783	0.3
115.05538	66.2
116.05883	1.9
116.92825	0.3
117.03471	2.7
117.07104	9.9
118.07436	0.2
119.03517	1.5
119.04990	0.3
121.02966	0.5
123.04518	2.3
131.03516	0.7
131.05026	0.7
133.06612	1.6
135.04555	0.6
136.01726	0.3
137.02422	0.3
141.07091	1.7
143.03569	1.2
143.05032	6.3
144.05385	0.3
145.06612	0.5
148.02036	0.2
149.04515	1.3
151.03963	0.3
157.06532	0.5
159.04536	0.4
159.08109	0.4
161.04582	4.3
161.06076	22.2
162.06395	0.5
163.03999	5.8
164.04518	0.3
165.01920	0.6
173.05977	0.3
175.07651	0.3
177.05583	0.6
179.05597	1.0
185.06041	0.7
187.04002	100.0
188.04329	3.7
189.05540	0.3
193.05035	0.4
195.06546	0.4
201.05530	0.8
203.07170	0.4
205.05060	5.1
205.06645	0.2
211.52493	0.2
221.06609	1.7
221.09708	0.4
223.06046	1.2
229.05067	1.1
241.05164	0.3
247.06192	1.1
256.07428	0.9
265.07184	0.4
271.09760	0.5
285.09808	0.4
304.39249	0.2
323.11331	1.3
325.09366	0.4
349.09357	0.4
367.10287	1.4
368.10278	0.4
385.11334	1.3
392.56815	0.3
409.11343	1.6
427.12396	7.3
428.12695	0.3
469.13510	0.3
473.14511	38.8
474.08417	0.3
474.14758	2.5
515.15710	0.9
571.16583	0.5
579.20679	0.5
677.21155	0.5
695.21881	27.8
696.22211	3.0
841.25134	1.0
883.27521	0.3
901.27698	0.9
963.41101	0.3
984.99908	0.3
1063.34778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
82.86551	4.6
88.60783	4.5
90.46217	4.2
107.00579	4.3
115.05527	20.0
117.07150	4.8
140.82861	4.5
144.53319	4.1
161.06108	16.3
166.79134	4.8
179.23373	4.1
187.03990	45.3
193.09531	5.4
226.98015	4.3
229.64325	4.5
350.72073	4.9
469.13055	4.8
473.14487	83.6
474.14761	11.3
515.16156	11.0
522.11316	6.3
695.21985	5.7
737.23053	100.0
738.23120	17.7
825.17242	5.2
1068.32336	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	1068.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
115.05545	26.4
161.06104	12.8
187.03996	54.3
187.88866	4.1
188.76099	3.5
190.80690	3.8
203.05620	4.3
205.05052	4.6
229.80751	3.7
230.00256	5.3
275.91916	4.0
388.33704	3.7
413.81412	3.7
464.38849	4.4
469.13000	4.7
473.07892	6.1
473.14548	75.4
474.14636	8.9
515.15387	6.4
727.51276	5.1
737.22839	100.0
738.22925	10.0
948.72516	4.3
970.23865	4.6
1068.33411	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	1068.32
Annotation	Unknow
Peak:m/z	Relative Intensity
88.98809	30.3
96.96005	13.7
98.20672	21.0
101.02491	11.5
105.01929	23.0
115.05528	28.2
123.04516	10.3
125.02444	12.4
132.04639	9.2
135.04543	15.3
149.02541	12.3
151.04002	19.1
161.02397	17.5
161.06055	23.4
163.03964	12.1
187.03999	81.9
197.58334	11.1
224.54643	11.7
228.51233	12.5
473.14664	86.9
515.15332	19.2
561.97083	11.6
635.20282	12.0
702.40631	14.1
737.23071	100.0
738.23468	13.8
781.67938	10.8
909.77832	12.9
1068.31885	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	1069.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03490	2.4
85.02946	15.5
87.00840	2.6
91.05525	1.9
95.01377	3.7
97.02943	4.0
99.00875	1.9
100.58008	1.7
101.02432	2.6
104.82185	1.5
113.02453	13.8
115.05540	61.5
116.05869	1.9
117.01895	2.5
117.03439	2.6
117.07108	19.9
123.04491	4.4
125.02445	20.2
127.03925	2.3
133.06567	3.5
137.73764	1.6
143.03484	20.8
143.05022	4.4
155.03502	9.4
161.06075	74.0
162.06389	2.5
163.03975	4.6
164.66600	1.7
185.04553	33.5
187.04002	100.0
188.04243	3.5
203.05666	1.7
205.04994	5.6
223.06140	2.6
235.80991	1.7
245.06604	6.7
429.13971	6.3
449.27716	1.7
557.16461	10.9
573.19635	4.6
634.54852	1.8
863.25800	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	1076.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	3.5
85.02938	6.7
89.02444	2.5
101.02431	8.7
112.98548	5.8
113.02436	5.0
115.05537	73.1
116.92848	5.2
117.03437	2.2
117.07101	7.3
119.03527	3.0
123.04512	7.7
125.02446	5.1
127.07659	3.2
137.02560	3.3
141.76799	2.2
143.03482	2.9
143.05031	5.7
145.02975	2.3
150.03192	1.9
153.05591	16.3
161.06076	24.0
163.03961	3.0
163.58725	1.8
165.05516	2.7
171.06648	1.9
175.02521	1.9
187.03996	100.0
193.05092	2.7
195.06522	3.5
201.97397	2.0
205.05161	5.0
285.04114	7.8
345.11700	2.4
369.92578	2.1
400.50018	2.2
439.16074	19.6
440.16119	2.7
468.18832	2.1
473.14523	59.9
481.17023	2.4
487.46954	2.3
503.15656	3.3
515.15582	8.2
703.23700	2.9
714.25714	3.4
745.25690	32.1
746.25775	4.2
779.24500	9.5
809.24677	4.8
863.84332	2.2
1075.59070	12.6
1076.59949	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	1077.5851
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	3.3
85.02957	11.5
87.00890	3.0
88.98801	1.7
89.02451	11.7
95.01397	3.6
99.00890	2.3
99.92590	1.5
101.02449	19.1
104.57595	0.8
111.00944	0.8
113.02453	11.8
115.05551	8.9
116.05903	1.7
116.92866	6.7
117.07085	1.1
119.03488	4.2
120.37106	0.6
123.04553	1.4
131.03484	2.8
132.21472	0.7
134.03711	0.8
136.01582	0.8
143.03484	0.9
143.05042	0.8
145.02982	1.3
147.90646	0.6
161.04747	3.3
161.06081	3.3
163.04010	2.1
187.04022	10.5
188.04329	2.2
192.99512	0.7
205.05159	0.9
213.05602	1.1
221.06670	2.2
241.05229	1.3
256.07422	2.0
271.09781	2.9
473.14438	2.5
474.14694	1.4
475.15692	1.1
515.15601	1.3
753.47870	1.2
915.53033	7.0
958.09747	0.7
1077.58582	100.0
1078.58972	15.8
1101.30005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0218
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
65.03943	1.0
66.03472	1.1
69.26204	7.0
80.05058	1.0
81.03467	3.4
85.02940	0.8
86.90144	0.7
91.01924	1.0
101.40106	0.6
103.42474	0.7
107.03817	1.3
108.02177	100.0
108.04560	15.7
108.90218	1.0
109.02967	58.1
128.43318	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
78.68068	0.1
83.01384	0.3
86.68234	0.1
93.03463	0.5
100.49215	0.1
107.01391	0.8
108.02184	0.2
109.02932	0.3
117.03469	0.4
119.01398	0.2
125.02395	0.2
132.02182	0.5
132.18483	0.2
135.00890	0.3
137.02414	0.3
141.03499	0.2
143.05032	0.2
145.02945	0.3
146.09061	0.2
147.00900	0.9
151.00368	1.6
154.04204	0.3
155.04962	0.2
157.03023	0.2
157.06566	0.2
159.04504	0.4
160.01680	0.2
161.02515	0.3
163.00287	0.6
164.01146	0.4
167.05019	0.3
169.01430	0.2
169.06555	0.3
171.04506	0.5
175.04024	0.3
178.99911	0.4
182.03645	0.4
183.04536	1.9
185.02483	0.3
185.06075	0.7
187.03951	0.8
195.04547	0.3
197.06073	0.2
199.03951	0.4
201.05499	0.2
211.03978	2.1
212.04686	0.2
213.05521	0.6
215.03461	0.2
223.03990	0.2
224.04784	0.1
225.05513	0.2
226.02617	0.2
227.03494	39.0
228.03831	1.3
229.05042	1.5
239.03587	0.9
240.04097	0.4
241.04982	0.6
253.05070	0.3
255.02982	59.5
256.03595	5.3
257.04498	1.1
267.02997	0.3
268.03720	0.5
269.04547	4.5
270.04742	0.2
271.09744	0.2
281.04480	0.5
283.02484	7.1
284.03253	59.4
285.04013	39.5
286.04373	1.8
297.03986	0.4
309.04077	0.6
333.99152	0.2
337.09164	0.2
429.08249	7.9
430.08536	0.6
447.08963	0.2
450.13779	0.2
489.10379	100.0
490.10727	6.4
747.27795	0.2
1085.38635	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	2.7
85.02951	3.7
87.00880	0.6
89.02450	1.0
91.05541	0.3
93.03456	0.6
95.01378	0.7
96.95998	0.2
97.02930	0.6
99.00883	0.7
99.04497	0.3
101.02444	7.3
109.02988	0.3
113.02454	5.1
115.05538	66.0
116.05867	1.6
117.03448	1.9
117.06270	0.4
117.07105	8.1
118.07413	0.5
119.03507	0.7
119.05067	0.3
121.02963	0.4
123.04523	2.3
124.04865	0.2
125.02446	2.2
131.03491	1.1
136.01680	0.3
143.03505	4.1
143.05020	7.2
143.18297	0.2
155.03510	0.6
161.04634	1.5
161.06071	22.3
162.06416	0.8
163.03983	0.5
165.05519	0.6
174.17996	0.2
175.02556	0.3
175.03990	0.2
185.04646	0.3
187.03998	100.0
188.04344	3.1
189.03998	0.3
203.05623	3.4
205.05057	2.2
205.87550	0.2
221.06819	0.3
221.09509	0.3
243.10329	0.8
263.07806	0.5
322.86819	0.2
327.11099	0.3
351.11197	0.3
365.12436	1.0
387.13147	0.7
405.15430	0.4
451.12790	0.2
455.13443	3.0
469.13547	0.6
473.14514	8.6
474.14832	0.6
495.46460	0.2
497.14566	3.4
498.15039	0.3
515.15564	36.1
516.15985	2.6
531.18945	0.3
557.16620	17.7
558.16858	1.5
599.17841	0.7
737.22516	1.3
761.23322	0.3
779.24097	6.1
779.38074	0.5
780.24060	0.6
821.25116	5.5
822.25623	0.6
927.52985	0.6
1089.58411	9.3
1090.59717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03452	0.4
83.01397	1.0
85.02941	1.2
87.00873	0.2
91.05517	0.2
93.03452	0.3
95.01371	0.5
97.02958	1.6
99.00898	0.3
101.02446	3.1
113.02432	1.8
115.05537	79.3
116.05873	2.1
117.03468	2.5
117.07104	11.8
118.07496	0.2
119.03489	0.5
121.02971	0.2
123.04526	4.5
125.01518	0.3
125.02440	6.2
126.02724	0.2
131.03476	0.2
133.06598	0.3
136.01640	0.2
143.03542	1.4
143.05016	8.2
149.02411	0.2
151.03987	0.3
155.03484	0.5
161.06075	29.8
162.06401	0.9
185.04532	1.3
187.03998	100.0
188.04352	3.1
203.05608	1.0
205.05048	3.8
206.05301	0.2
221.09689	0.6
223.11205	0.2
245.06651	0.8
267.10248	0.2
285.09787	0.2
316.84152	0.1
323.11569	0.2
327.10938	0.7
345.11856	0.2
365.12372	3.0
387.12915	3.9
455.13351	1.3
462.23981	0.2
473.14493	27.9
474.14896	2.0
497.14438	1.2
511.14462	1.2
515.15564	27.0
516.15918	2.0
519.54614	0.1
529.22870	0.2
531.18518	1.5
532.18683	0.2
557.16534	4.9
558.17084	0.4
586.12177	0.2
737.22705	0.7
761.22595	0.3
779.23981	6.6
780.24847	0.7
821.25067	16.2
822.25824	1.8
1089.58118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
77.77466	0.2
81.03444	0.2
83.01385	0.3
85.02961	0.5
89.74099	0.2
91.05535	0.4
93.03467	0.4
95.01379	0.4
95.05060	0.3
97.02960	0.9
101.02444	1.0
113.02456	0.7
115.05538	79.2
116.05868	2.4
117.03470	2.3
117.07108	11.5
118.07467	0.2
119.03522	0.4
121.02953	0.4
123.04524	5.8
125.02447	3.0
131.03429	0.2
133.06616	0.4
143.03523	0.6
143.05020	7.6
144.05405	0.2
149.02440	0.3
161.06075	32.2
162.06409	0.9
162.18111	0.2
167.03503	0.4
185.04536	0.7
187.04001	100.0
188.02646	0.2
188.04350	3.9
203.05571	0.4
205.05060	4.5
206.05307	0.2
221.09676	0.3
223.11372	0.2
227.05649	0.5
245.06679	0.2
249.09360	0.3
267.10477	0.2
285.09760	1.5
287.07751	0.2
323.11346	8.0
324.11603	0.4
327.10855	0.2
345.11868	3.5
346.12085	0.2
365.12387	0.5
367.10315	0.3
387.12915	0.7
428.39987	0.2
455.13412	0.7
468.91885	0.2
473.14511	45.2
474.14890	3.7
489.17844	2.0
497.14536	0.4
511.14383	0.3
515.15564	13.7
516.16028	1.7
533.17096	0.2
553.15479	1.3
557.16437	2.2
558.16479	0.2
779.24072	2.3
821.25085	15.2
822.25299	2.0
1088.32922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03463	0.6
83.01381	1.8
85.02950	5.4
87.00883	0.4
88.98797	0.2
89.02448	0.4
91.05543	0.2
93.03463	0.3
95.01383	0.9
97.02955	1.3
99.00880	0.4
99.04549	0.2
101.02444	5.0
113.02453	6.1
115.05538	70.2
116.05871	1.9
117.03465	2.2
117.07103	9.1
117.07982	0.1
118.07455	0.3
119.03493	0.6
119.05028	0.2
121.02911	0.2
123.04533	3.0
125.02445	3.7
131.03493	0.5
131.05019	0.2
133.06638	0.3
143.03491	6.1
143.05008	6.7
144.05353	0.2
145.03030	0.3
148.94684	0.1
149.02374	0.1
149.04503	0.3
155.03554	0.8
161.06070	25.7
162.06390	0.7
163.04100	0.2
167.97272	0.1
179.05626	0.2
185.04504	0.4
187.03998	100.0
188.04337	3.6
203.05600	2.5
205.05060	2.2
215.90334	0.1
221.06662	0.3
221.09779	0.2
223.11197	0.2
230.36581	0.2
245.06706	0.2
263.07684	0.4
267.10352	0.1
271.09662	0.2
327.10788	0.3
340.94443	0.1
365.12402	1.1
369.11655	0.1
387.12918	0.9
407.13269	0.4
429.14145	0.5
455.13498	2.5
456.13715	0.2
469.13443	0.4
473.14520	9.6
474.15036	0.8
497.14542	3.2
498.14682	0.4
513.17078	0.2
515.15558	33.3
516.15887	2.7
531.18738	0.2
557.16614	15.0
558.17163	1.1
599.17566	0.8
719.21527	0.4
737.23199	1.3
738.22943	0.2
761.22815	0.4
779.24048	5.4
780.24493	0.5
799.25378	0.2
821.25073	7.0
822.25610	0.9
927.52887	0.3
1013.10620	0.2
1089.58057	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	1091.34
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03461	1.6
83.01398	1.8
85.02948	9.3
87.00913	1.2
91.05549	2.3
92.16717	0.5
95.01389	2.0
95.05035	0.7
97.02941	2.8
99.00861	0.9
99.04487	0.8
101.02447	2.3
111.00944	0.5
111.04476	0.6
111.65195	0.5
113.02450	10.7
114.61954	0.5
115.05535	35.3
116.05135	0.5
116.05881	2.2
117.01881	0.5
117.03477	1.1
117.07101	32.2
118.06676	0.4
118.07452	1.6
119.03510	0.6
121.02983	0.5
123.04517	9.8
125.02450	10.2
127.04040	1.4
129.77379	0.5
133.06570	3.1
137.02460	0.6
143.03502	13.0
143.05009	3.3
145.76836	0.5
151.03928	0.6
155.03490	4.4
161.06073	100.0
162.06383	3.6
163.03986	2.2
185.03035	0.9
185.04553	10.9
187.03996	55.6
188.04373	2.7
203.05533	0.7
205.05034	14.3
223.06100	2.7
245.06590	2.6
265.07095	0.6
285.09799	7.9
323.11343	28.4
324.11652	1.9
328.29465	0.5
343.41449	0.6
345.11893	13.9
346.12006	0.5
365.12363	1.2
387.12897	1.1
429.15442	0.6
446.52850	0.5
451.12671	1.2
473.14520	14.9
474.14731	1.8
489.17609	8.9
490.18286	0.7
491.15677	1.2
511.14566	5.3
515.15594	2.5
516.15729	0.9
531.18408	0.7
533.16028	0.7
737.22717	1.0
779.24005	70.6
780.24408	9.9
825.84967	0.6
985.30096	4.2
1090.59033	1.2
1091.58398	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	1091.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02951	2.5
87.00826	0.4
91.05535	3.0
93.03466	0.3
95.01394	0.2
96.95992	0.2
97.02945	0.8
99.04551	0.2
101.02448	0.2
113.02458	1.6
115.05537	76.9
116.05880	2.5
117.03471	2.5
117.07103	16.0
118.07407	0.4
119.03516	0.3
121.02976	0.5
123.04536	2.3
125.02446	3.8
127.04045	0.5
133.06598	3.7
135.04524	0.6
143.03499	2.7
143.05016	7.0
145.17143	0.2
155.03555	1.4
161.06075	37.3
162.06427	1.7
163.04013	2.3
167.03424	0.3
185.04565	7.0
186.05034	0.3
187.03996	100.0
188.04337	4.1
189.74104	0.3
205.05048	15.6
206.05421	0.5
209.67534	0.3
221.09702	0.5
223.06102	10.4
224.06375	0.5
245.06563	1.7
245.80429	0.2
265.07166	4.5
285.09833	0.3
305.08658	0.4
345.11932	0.8
391.10168	1.3
451.12375	6.5
452.12372	0.4
473.14511	49.1
474.14838	3.5
511.14481	2.5
515.15613	1.1
516.15930	0.5
606.60284	0.3
779.24133	4.0
780.24652	0.5
985.30499	0.4
1091.60156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.6003
Annotation	Unknow
Peak:m/z	Relative Intensity
81.26278	0.2
83.01392	2.4
85.02955	9.4
86.00123	1.2
87.00879	6.0
87.04530	1.9
89.02450	9.4
89.03008	0.4
95.01385	1.5
97.02949	0.6
99.00872	1.3
101.02448	14.8
102.02802	0.2
103.04017	1.9
113.02457	8.9
113.03252	0.4
115.04018	2.5
115.05544	4.7
116.81161	0.2
116.92880	0.5
117.07089	0.8
119.03503	3.8
119.32685	0.3
123.04558	1.3
125.02418	0.8
127.00379	0.2
129.01929	0.2
131.03506	4.6
143.03505	5.7
143.04865	0.3
145.05054	0.9
150.03200	0.2
159.02962	0.5
161.04562	1.1
161.06084	1.7
163.06126	2.2
175.02515	0.3
179.05621	0.2
181.64735	0.2
187.02350	0.3
187.03999	6.0
205.05212	0.4
205.07126	2.9
241.05127	0.2
247.08372	0.3
266.23718	0.3
353.09003	0.3
395.09760	0.7
425.11487	0.3
447.09174	0.2
455.12701	0.4
462.85849	0.3
473.14420	2.0
515.15820	1.1
559.18500	0.4
737.22638	0.3
765.48645	0.4
779.24225	0.4
783.48981	0.9
911.54828	0.3
929.54810	7.3
930.55280	0.7
945.54498	1.8
1091.60071	100.0
1092.60388	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	1093.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01385	1.3
85.02959	1.6
87.00883	0.4
89.02447	3.5
91.05458	0.2
93.03475	0.4
95.01385	0.6
98.19793	0.3
99.00914	0.1
99.66610	0.1
101.02444	2.8
113.02462	2.5
115.05537	66.7
116.05874	1.9
116.92844	0.2
117.03467	2.5
117.07104	10.6
118.03782	0.1
118.07420	0.3
119.03502	1.7
119.04936	0.2
121.02913	0.2
123.04533	1.7
125.02481	0.3
131.03499	0.3
131.05020	0.3
133.06599	0.6
135.42749	0.1
136.01663	1.0
143.03426	0.7
143.05025	7.0
144.05307	0.3
147.04524	8.6
149.02466	0.2
149.04454	0.3
151.03966	0.9
161.06071	25.6
162.06404	0.8
164.29358	0.2
179.05614	2.9
187.03999	100.0
188.04326	3.4
189.05530	0.9
205.05052	2.5
220.41330	0.1
223.11249	0.3
245.06657	0.4
247.11369	0.2
255.06654	0.6
256.07376	0.2
267.10336	0.2
270.08801	0.3
285.11395	0.4
353.96942	0.1
357.13422	1.5
364.36731	0.2
406.63812	0.2
455.13437	7.2
456.13922	0.6
473.14499	10.6
474.14914	0.7
497.14575	5.0
498.14798	0.5
515.15570	24.8
516.15857	2.3
585.17645	0.8
603.18713	22.7
604.19012	2.5
627.61993	0.2
645.19757	15.9
646.20209	1.6
653.20923	0.5
695.21973	1.2
783.24957	2.0
784.25079	0.2
825.26190	2.2
1092.59863	0.3
1093.58899	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
76.07513	0.2
85.02956	0.4
86.07478	0.2
87.00868	0.7
88.00387	0.3
88.98808	100.0
89.99138	0.6
101.02446	0.3
113.02472	0.6
115.05537	4.3
116.05894	0.3
117.07092	0.7
119.94071	0.2
123.04526	0.2
124.01678	0.3
125.08145	0.2
143.03529	0.3
143.05077	0.4
151.35109	0.2
161.06059	1.5
187.02313	0.4
187.03995	6.5
188.04350	0.7
190.02855	0.4
205.04990	0.7
206.38420	0.2
236.32140	0.2
241.05257	0.2
473.14612	3.8
474.14807	1.0
515.15588	0.7
560.93732	0.2
725.24591	0.7
737.22876	4.2
738.23199	1.6
739.23676	0.4
879.33685	0.2
1034.86316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
76.90504	0.1
83.01385	0.4
84.75294	0.1
85.02947	0.2
93.03447	0.4
98.19895	0.3
107.01369	0.9
109.95650	0.1
120.02187	0.2
132.02176	0.6
135.00836	0.7
151.00362	2.7
152.01056	0.3
159.04584	0.2
163.00371	0.7
164.01128	0.5
167.04999	0.2
169.01462	0.2
171.04492	0.2
178.99857	1.3
183.04488	1.0
187.03928	0.4
190.99986	0.2
195.04514	0.2
199.03990	0.5
200.04819	0.3
211.04008	1.4
212.04797	0.2
213.01944	0.3
213.05481	0.3
227.03479	27.4
228.03854	0.9
229.03113	0.2
229.04967	0.9
239.03490	0.8
240.04123	0.3
241.04926	0.3
255.02965	55.8
256.03558	5.4
257.04593	1.2
281.04587	0.2
283.02539	1.4
284.03241	75.0
285.03900	11.5
286.04355	0.4
309.04047	0.3
326.04123	0.4
327.05350	0.8
545.87946	0.2
575.13763	0.7
739.20862	100.0
740.21234	9.2
740.33154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1095.6803
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03459	3.3
83.01386	1.2
83.05027	7.7
85.02950	3.4
87.00873	0.4
89.02421	0.7
95.01373	0.7
97.02959	0.3
99.00873	1.0
101.01784	0.3
101.02443	5.8
113.02456	3.7
119.03439	0.3
125.02428	0.3
125.07197	0.7
131.03468	0.2
143.03467	0.6
143.08212	0.2
159.02983	1.0
161.04559	4.1
161.62254	0.1
165.05505	0.2
190.95726	0.2
207.14915	0.9
221.06790	0.2
224.17679	1.7
225.16068	8.9
226.16335	0.5
242.18724	0.5
250.15933	0.2
284.03055	0.3
285.04019	0.2
309.21786	0.7
313.16449	0.2
324.26505	0.3
331.17615	8.5
332.18002	0.6
333.22913	0.5
341.29184	0.5
367.27222	0.9
373.18671	8.1
374.19046	0.4
375.16132	0.2
417.17090	0.3
433.31686	1.0
450.34406	1.0
451.32913	6.7
452.33026	0.7
535.39087	0.2
550.43140	1.0
559.39667	0.5
565.44342	0.4
587.30243	0.3
593.43732	0.6
659.48669	2.2
660.48798	0.3
677.49683	100.0
678.49957	11.4
804.83728	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
76.48911	0.2
77.03969	1.1
79.01878	0.9
80.06892	0.2
85.02953	0.2
93.03449	1.3
95.01431	0.3
98.19894	0.6
101.02451	0.3
105.03455	0.6
107.01406	0.3
113.02463	0.3
117.03462	6.9
119.05020	0.9
121.02958	2.1
125.02431	0.4
132.47276	0.3
133.02943	0.3
135.04553	1.5
137.02454	0.2
139.34129	0.2
145.02917	0.5
149.02451	1.2
159.04520	1.6
161.02438	3.3
161.04495	0.2
163.00357	0.4
163.04002	2.4
165.01894	1.3
169.06635	0.3
171.04500	0.4
173.02377	0.3
175.00348	0.3
178.99921	0.2
179.03448	0.2
182.03688	0.3
183.04469	0.6
183.08105	0.5
185.06001	0.2
191.03487	1.0
193.01332	0.3
195.04388	0.3
195.08206	0.3
196.05350	0.5
197.06024	1.0
203.03476	0.5
209.06122	0.3
210.06923	0.3
211.07709	0.7
213.05605	0.3
215.07182	0.4
224.04694	0.6
225.05507	0.4
227.03519	0.9
228.03876	0.3
237.05623	0.5
238.06325	0.3
239.07143	2.0
240.04303	0.3
241.05061	0.3
253.05042	0.7
254.05800	0.3
255.03044	1.1
255.06406	0.3
256.03439	0.6
268.03683	1.5
269.04517	3.1
269.09930	0.2
270.04877	0.2
271.02402	0.5
279.06659	0.3
281.04535	4.8
282.05273	1.9
283.06104	49.0
284.03250	1.2
284.06448	2.5
285.03821	0.8
287.04135	0.2
293.04559	2.0
295.06079	2.7
300.02737	0.6
301.03329	0.3
308.03378	0.3
309.04013	0.8
309.07349	0.3
311.05600	77.6
312.05963	4.5
314.04422	0.9
323.05582	5.3
323.09348	0.3
325.07230	0.3
341.06625	14.4
342.06985	0.8
353.06894	1.0
355.08273	0.4
383.07584	0.4
384.08423	0.2
413.08453	0.3
415.15942	0.6
416.16501	0.5
417.16525	0.2
431.09799	100.0
432.10150	7.2
452.49435	0.2
457.17163	1.0
458.17410	0.9
459.17471	0.2
593.15051	0.8
594.15308	1.1
595.14209	1.4
625.14642	0.6
994.94135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
76.70314	0.3
81.03466	0.4
83.01389	3.6
85.02954	12.6
86.00129	0.7
87.00879	2.2
89.02445	2.7
95.01388	1.8
96.01804	0.2
97.02943	1.7
99.00887	3.4
99.04520	0.5
101.02447	18.4
103.04014	1.6
109.02980	1.5
111.00893	0.9
112.01701	0.8
113.02445	9.4
115.05566	0.5
119.03528	1.0
125.02473	1.2
127.04036	1.3
127.11343	0.3
129.01970	0.4
131.03514	0.5
135.99196	0.3
143.03531	2.1
145.05090	0.6
159.02957	1.9
161.04555	9.0
161.05881	0.5
163.06157	1.0
187.03999	0.4
205.07155	0.4
212.04785	0.6
213.05577	6.6
225.15034	0.7
240.04245	0.8
241.05070	15.2
242.05476	0.8
255.06612	3.5
256.07401	30.6
257.07758	1.4
269.08243	0.4
270.09137	1.0
271.09756	25.6
272.10162	0.8
291.18140	21.4
292.18408	0.7
313.10620	0.6
323.05643	0.3
383.20853	0.6
401.21786	2.3
415.14050	0.8
419.22867	4.1
420.22565	0.3
433.15094	5.1
437.23907	100.0
438.24249	5.9
479.25034	6.9
480.25452	0.7
526.79651	0.3
579.20813	60.9
580.21136	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	1105.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01400	1.8
85.02448	0.7
85.02955	12.9
87.00883	2.8
89.02441	5.9
91.05547	1.8
93.03496	0.8
95.01398	2.0
97.02956	1.7
99.00882	5.6
99.04519	0.6
101.02451	12.7
107.17828	0.5
111.00857	0.6
113.02454	14.5
115.05541	68.1
116.05883	1.9
116.46487	0.4
116.92845	0.6
117.03474	2.1
117.07109	13.6
119.03517	2.7
121.02885	0.5
122.29163	0.5
123.04521	4.7
125.02457	2.7
131.03481	1.0
133.06584	1.6
136.01688	0.5
143.03499	7.1
143.05025	5.9
151.03969	0.7
159.02946	1.1
161.04576	6.6
161.06081	22.3
162.06454	0.8
163.03987	1.4
175.02519	0.6
179.05638	2.0
187.04007	100.0
188.04335	3.5
195.06578	0.6
203.05635	0.7
205.05069	4.6
210.60008	0.5
221.06676	1.4
223.05963	2.3
245.06552	0.8
248.06714	0.5
263.07742	0.9
271.06033	0.6
286.08377	0.7
323.09811	34.3
324.10175	1.6
396.66788	0.5
409.11325	1.4
447.08676	0.7
447.15027	15.3
448.15414	0.6
458.98517	0.5
469.13535	2.6
473.14700	1.2
515.15149	0.6
635.19794	43.3
636.20227	3.8
737.23193	1.7
899.28247	25.8
900.28455	3.9
943.51324	1.6
959.34186	0.5
1105.34351	1.2
1105.58167	20.8
1106.58899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03425	0.3
83.01385	0.8
85.02954	4.0
85.15768	0.2
87.00887	0.4
89.02439	1.9
91.05531	2.0
93.03471	0.4
95.01402	0.8
95.04987	0.2
97.02946	0.8
99.00867	0.5
99.04525	0.4
101.02444	4.8
113.02455	7.0
115.05540	73.8
116.05891	2.3
116.92843	0.3
117.03476	2.4
117.07108	8.5
118.07442	0.4
119.03503	1.1
121.02959	0.5
123.04527	2.4
125.02448	1.4
131.03496	0.5
133.06610	1.1
135.04564	0.4
141.07117	0.5
143.03499	8.3
143.05019	7.4
144.05470	0.2
149.02377	0.3
149.04575	0.4
150.03221	0.2
155.03545	0.3
157.06575	0.5
159.02936	0.3
159.08168	0.4
161.04601	1.7
161.06065	16.3
162.06403	0.5
163.03992	2.4
174.57974	0.2
179.05627	1.3
185.04599	0.3
185.06073	1.0
187.04004	100.0
188.04337	3.4
201.05585	0.4
203.05589	1.8
203.07227	0.5
205.05046	7.1
221.06653	0.3
221.09712	0.6
223.06076	1.9
223.11243	0.2
229.05034	0.7
247.06104	0.7
263.07727	0.4
265.07022	0.2
267.10733	0.2
286.49246	0.2
349.09283	0.5
351.80188	0.2
367.10352	0.5
385.11447	1.2
409.11435	1.2
413.79178	0.2
451.12665	0.5
469.13513	8.0
470.13837	0.7
473.14511	44.6
474.14862	3.9
511.14581	0.4
515.15448	1.1
529.17078	0.3
573.19507	0.2
677.20441	0.3
737.22913	5.7
738.23169	0.6
781.48114	0.2
837.27722	0.3
943.28516	1.2
943.52484	0.8
1105.57898	15.4
1106.57263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03473	0.2
83.01388	0.5
85.02956	4.3
86.00117	0.2
87.00878	0.5
89.02443	1.7
91.05530	1.5
93.03469	0.8
95.01378	0.5
95.81842	0.2
97.02953	0.7
99.00893	0.3
99.04527	0.3
101.02459	2.2
101.21252	0.2
113.01704	0.4
113.02454	5.5
114.04816	0.2
115.05539	76.9
116.05860	2.3
116.92862	0.3
117.03466	2.5
117.07108	8.2
118.07487	0.2
119.03492	1.0
120.76123	0.2
121.02969	0.3
123.04528	2.5
125.02436	1.5
131.03505	0.3
133.06604	1.3
135.04543	0.4
141.07109	0.3
143.03503	11.4
143.05020	7.1
145.06625	0.3
149.04572	0.3
157.06563	0.2
159.08257	0.2
161.04622	1.2
161.06070	16.0
162.06432	0.7
163.04008	2.6
164.04568	0.2
172.79094	0.2
175.03922	0.2
177.05600	0.2
179.05588	1.6
185.06065	0.3
187.04002	100.0
188.04338	3.6
203.05605	0.8
205.05058	6.5
206.05469	0.2
221.06680	0.3
221.09712	0.5
223.06113	7.3
223.11354	0.2
229.05116	0.5
247.06050	0.4
255.06366	0.2
263.19418	0.2
265.07294	1.0
267.10406	0.2
271.09637	0.2
285.04028	0.5
315.67535	0.2
349.09259	2.1
350.56458	0.2
367.10254	0.3
385.11426	3.1
386.12003	0.2
409.11200	0.5
451.12497	0.5
469.13483	6.6
470.13940	0.3
473.14508	46.0
474.14850	3.6
491.15714	0.3
515.15680	1.1
541.13867	0.3
544.23865	0.2
585.72913	0.2
608.67462	0.2
677.20941	0.3
719.21643	0.2
737.23059	5.0
738.23145	0.9
875.12537	0.2
943.28925	0.6
943.51923	0.2
1018.05090	0.3
1104.57104	0.3
1105.35632	0.4
1105.57690	3.3
1106.58069	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
79.63304	0.3
83.01389	0.5
85.02957	2.6
89.02451	1.3
91.05549	1.1
93.03461	0.7
95.01357	0.5
96.96002	0.4
97.02962	0.5
99.04503	0.3
101.02456	2.6
113.02448	3.1
115.05542	80.9
116.05899	2.3
117.03488	2.6
117.07104	8.5
118.63451	0.3
119.03539	0.9
121.03055	0.4
123.04537	3.1
125.02428	0.8
131.03459	0.3
133.06601	1.1
135.04489	0.3
141.07112	0.7
143.03506	4.3
143.05022	8.2
149.02412	0.4
150.03180	0.4
150.57027	0.3
159.08176	0.5
161.04637	1.1
161.06073	17.1
162.06419	0.6
163.04005	2.6
165.05460	0.3
174.89925	0.3
179.05661	1.8
185.06075	1.3
187.04005	100.0
188.04361	3.0
203.05510	0.7
203.07202	0.4
205.03278	0.6
205.05060	7.1
223.06180	1.7
223.11201	0.5
229.04996	1.1
247.06123	1.3
263.07718	0.4
323.09677	1.5
367.10208	0.5
385.11420	2.2
409.11191	1.4
447.15283	0.6
469.13480	2.2
473.14526	58.5
474.14951	4.3
511.14514	0.9
515.15424	1.1
635.19922	0.4
636.18073	0.4
737.22980	11.7
738.23193	0.9
876.12579	0.4
899.28326	1.3
943.52301	0.4
1105.57788	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	1105.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
80.31431	0.6
83.01385	2.8
84.02155	0.7
85.02950	16.6
87.00873	1.7
89.02451	2.5
91.05507	4.3
95.01391	2.1
97.02948	2.3
99.00855	1.5
101.02451	7.4
113.02450	18.0
113.99266	0.6
115.05538	54.1
116.05840	1.6
116.92843	1.1
117.03473	2.9
117.07102	26.3
119.03505	1.3
123.04527	6.8
125.02435	4.9
131.03482	1.0
133.06577	3.1
133.54369	0.6
135.04526	1.5
141.07111	7.1
143.03493	21.0
143.05014	6.2
145.03027	0.7
145.06615	0.9
150.03160	0.7
155.03444	1.2
157.06598	0.9
159.08195	1.3
161.06071	73.1
162.06433	2.3
163.04010	13.9
165.05516	0.8
171.08139	1.1
175.07620	1.7
179.05603	2.0
185.06128	0.8
187.04001	89.0
188.04335	2.8
201.05545	4.7
203.05592	3.8
205.05067	7.9
213.09396	0.7
215.06964	0.7
223.06084	2.5
229.05026	5.4
247.06096	5.8
285.09692	2.2
297.84970	0.7
305.10120	0.8
323.11353	13.1
324.11404	0.9
345.11908	7.2
349.09201	1.8
385.11368	2.5
409.11243	1.6
444.10501	0.7
449.57559	0.8
469.13489	8.7
473.14520	32.4
474.14917	2.7
489.17426	3.8
511.14261	1.1
515.15247	2.8
737.22980	100.0
738.23438	11.0
883.26831	3.3
943.29071	1.3
999.29938	1.0
1105.57727	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	1107.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	2.2
85.02966	5.2
87.00882	0.9
88.98785	1.2
89.02452	2.8
95.01371	1.2
97.02932	1.7
99.00887	1.0
101.02433	6.5
105.15258	0.6
113.02460	5.8
115.05543	80.3
115.47420	0.7
116.05893	8.1
116.92826	1.1
117.03465	2.2
117.06290	0.9
117.07107	12.9
118.07479	0.9
119.03506	1.3
119.04990	0.7
123.04543	4.8
125.02457	3.5
129.04364	0.6
131.03471	0.7
135.90926	0.6
143.03516	3.7
143.05043	6.4
144.05318	0.7
149.02470	0.7
150.03160	0.7
161.04655	1.5
161.06081	28.8
162.06421	2.5
163.04024	1.7
165.05577	1.1
166.58572	0.6
179.05618	1.1
185.04523	1.4
187.04005	100.0
188.04333	12.1
189.04462	1.5
203.05515	1.4
205.05046	5.0
206.05444	0.9
223.06035	1.1
271.09723	0.8
285.04001	1.1
285.09595	0.9
323.11270	3.2
345.11850	2.1
386.12003	0.8
414.81992	0.7
470.13547	0.6
473.14523	52.3
474.14880	12.3
475.15192	5.2
489.18066	1.1
511.14252	1.4
515.15607	10.5
516.16284	1.5
737.22498	3.5
738.23334	3.0
739.24323	3.5
752.43408	0.7
779.24066	38.2
780.24475	3.5
935.87439	0.7
945.53668	1.4
1106.58447	6.3
1107.38977	0.9
1107.59021	21.8
1108.56689	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1107.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01869	0.5
83.00312	0.4
83.01395	0.7
85.02954	1.6
89.02451	0.8
91.05537	0.5
97.02948	1.4
99.00880	0.4
101.02457	2.7
113.02471	1.7
115.05536	73.0
116.05841	2.2
117.03490	2.5
117.07101	15.1
119.03529	0.7
123.04516	5.2
125.02437	4.6
143.03529	1.3
143.05032	7.2
161.06073	33.8
162.06406	1.7
163.03983	0.6
180.98816	0.5
185.04608	0.7
187.03998	100.0
188.04373	3.6
203.05531	0.7
205.05046	4.8
245.06619	0.7
265.61285	0.5
285.09808	1.7
323.11316	1.4
345.11871	6.0
455.13477	0.8
473.14508	78.6
474.14838	5.9
511.14725	0.6
515.15582	13.4
557.16663	2.2
561.43146	0.5
604.79370	0.5
737.23322	2.0
739.23395	0.8
779.23956	30.4
780.24237	4.2
1106.58118	2.1
1107.58899	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	1107.5953
Annotation	Ginsenoside Rb1
Peak:m/z	Relative Intensity
83.01399	2.5
85.02955	9.1
87.00890	3.0
89.02448	11.5
92.26663	0.2
95.01395	2.7
96.96030	0.5
97.02930	0.7
98.95610	0.2
99.00887	1.9
101.02446	15.2
102.02785	0.3
111.00884	0.6
112.01576	0.3
113.02455	11.5
115.05549	1.2
117.07140	0.4
119.02659	0.3
119.03510	5.2
125.02460	1.0
129.01912	0.4
131.03508	3.0
143.03490	1.1
149.02335	0.2
149.04582	0.4
151.03938	0.2
159.02980	1.1
161.02505	0.3
161.04575	5.3
161.05933	0.4
163.04018	0.3
179.05606	1.1
187.03964	1.8
205.07123	0.2
221.06691	3.7
263.07761	0.3
288.02975	0.2
473.14438	0.6
477.01154	0.3
737.23059	0.4
783.48914	0.9
927.52722	0.3
945.54333	7.3
946.54620	1.0
1107.59521	100.0
1108.59705	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	1107.5955
Annotation	Unknow
Peak:m/z	Relative Intensity
77.29079	0.2
78.62962	0.2
81.64535	0.2
83.01377	3.1
85.02953	9.7
86.00089	0.9
87.00878	4.3
89.02448	12.4
95.00860	0.3
95.01396	2.2
97.02928	0.6
97.81128	0.3
99.00883	1.6
101.02446	18.4
108.02197	0.4
111.00860	0.8
112.01686	0.4
113.02454	11.6
113.03254	0.6
115.04037	0.3
115.05510	0.7
117.07066	0.2
119.03510	5.2
119.04912	0.2
125.02431	1.0
129.01947	0.4
131.03500	4.1
136.01671	0.6
137.02455	0.3
143.03525	1.7
145.03018	0.3
149.02481	0.3
149.04575	0.4
151.03992	0.7
159.02962	1.4
161.04561	6.3
161.05911	0.3
175.02409	0.4
179.05605	3.1
179.75778	0.2
187.04034	1.2
203.05487	0.3
221.06662	5.6
263.07510	0.8
308.10611	0.2
309.07599	0.7
309.11099	0.4
324.09964	0.4
327.12595	1.1
339.12207	1.6
357.13345	0.7
400.94556	0.3
473.14465	0.4
501.17563	0.7
577.21869	0.3
765.48358	0.3
783.48761	1.1
945.54248	6.1
946.55225	0.7
1107.59485	100.0
1108.59790	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	1109.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01370	0.2
85.02943	0.9
87.00886	0.3
89.02448	1.0
91.05531	6.6
93.03445	0.7
94.64168	0.2
95.01395	0.3
98.19826	0.3
99.00920	0.3
101.02464	1.2
101.03944	0.4
105.03480	0.1
105.35834	0.2
107.44408	0.2
108.02239	0.2
113.02445	1.2
115.05537	54.0
116.05884	2.0
116.92872	0.2
117.03468	6.3
117.07106	9.1
118.03770	0.2
118.07438	0.3
119.03511	0.4
119.05039	0.7
121.02972	0.3
121.41855	0.1
123.04530	4.0
125.02427	0.2
131.03477	0.2
131.05028	2.0
133.06604	1.6
135.04524	2.2
137.02504	0.2
141.07111	0.4
143.03404	0.2
143.03798	0.2
143.05026	4.8
144.05402	0.2
145.02983	0.2
145.06616	0.3
147.04529	0.4
149.02394	0.4
149.06117	1.0
159.04510	3.3
160.04875	0.2
161.06075	22.1
162.06444	0.8
162.39291	0.2
163.04008	41.6
164.04391	1.2
173.06004	0.2
175.03979	0.4
177.05573	0.9
179.05592	0.8
185.06042	0.3
187.04001	100.0
188.04346	4.3
189.05595	0.2
195.06525	0.2
201.05661	0.4
205.05052	4.7
206.05446	0.2
221.09767	0.3
223.11224	0.2
229.05176	0.8
235.06082	0.6
241.05011	0.2
265.07153	1.0
271.09814	0.2
285.09705	0.2
307.08112	0.2
325.09344	1.0
367.10226	0.6
431.13501	0.7
455.13464	3.0
456.13489	0.2
461.23712	0.3
473.14517	30.6
474.14798	2.5
491.15570	5.0
492.15884	0.4
497.14673	1.2
515.15582	19.6
516.15771	1.6
529.22693	0.3
575.17249	0.2
591.18945	0.6
619.17688	0.8
633.20068	0.4
635.19830	0.8
653.20764	3.2
654.21143	0.5
661.19202	1.1
677.20782	0.7
679.20337	0.4
695.22015	1.5
696.22089	0.4
741.23431	0.7
783.24768	0.2
799.25580	0.8
813.26599	0.2
823.25146	0.6
841.25616	5.7
842.26080	0.6
929.28778	1.4
947.29968	1.6
947.52014	0.5
1027.71301	0.2
1108.59827	0.4
1109.37476	0.2
1109.58972	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0088
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
50.59111	1.4
55.01619	2.7
55.01877	40.7
56.02206	1.7
59.62611	1.2
67.01894	5.3
69.11343	1.3
71.01383	8.7
78.95920	1.4
83.01388	100.0
84.01740	3.6
93.57956	1.2
99.00853	1.4
110.89922	1.3
110.97584	2.9
111.00890	26.3
111.83456	1.5
129.92284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1110.33
Annotation	Unknow
Peak:m/z	Relative Intensity
83.41782	8.9
98.20625	21.3
115.05540	31.0
144.02841	9.9
151.05385	9.8
161.06039	24.7
187.04008	50.3
230.81215	9.5
435.57767	10.8
459.03232	11.5
473.14493	83.8
656.63232	12.2
737.22461	13.1
779.24493	100.0
780.23560	11.8
1033.74048	11.3
1060.02600	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	1110.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
91.05521	8.8
95.85140	4.8
98.19855	18.2
109.35516	5.0
115.05551	42.6
116.05865	5.3
117.07140	6.9
143.05040	6.8
143.20079	5.3
143.50171	5.6
161.06084	24.4
163.04034	28.0
164.04329	9.5
187.03975	100.0
212.41817	5.5
230.09166	9.3
246.86436	6.4
250.04169	6.4
345.11325	5.9
398.44116	5.6
431.39716	6.6
473.14462	80.4
474.14734	15.1
515.15295	8.6
573.44934	6.0
721.42578	6.2
779.24304	69.5
780.23486	8.0
1110.32898	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	1112.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02954	25.2
101.02422	30.0
105.12920	12.3
111.32087	13.3
113.02398	18.9
115.05534	39.0
136.01686	39.1
151.03984	53.0
161.04514	12.8
161.06078	11.2
187.03952	44.3
199.44980	10.6
225.05589	14.8
225.21346	11.6
229.03662	17.6
240.07869	33.9
241.08273	13.9
255.10263	15.2
289.08911	10.3
329.23416	13.4
335.05920	42.2
357.13419	51.8
461.24054	100.0
462.24472	14.9
503.25067	13.4
529.23041	67.9
530.23236	17.4
587.17413	64.8
637.85028	11.2
1025.71814	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	1118.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
78.24501	3.6
82.26817	3.4
115.04729	3.4
115.05538	69.1
117.07111	10.3
123.04523	14.4
125.02448	4.5
127.07640	12.2
137.81883	4.0
143.03572	4.3
143.05049	8.4
153.05542	23.3
154.05856	6.0
161.06073	31.2
161.26514	3.6
163.03868	3.4
185.80341	3.4
187.04012	100.0
203.30605	3.2
203.39140	3.2
209.81023	4.3
290.75122	3.5
323.11411	4.7
345.11841	7.3
366.60123	4.2
439.16376	23.0
440.16565	5.2
473.14423	24.9
503.15668	9.8
512.35876	3.3
545.98560	4.0
554.35809	3.7
787.26019	16.7
790.28143	7.9
821.25226	11.2
1070.12915	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	1121.5744
Annotation	11-Oxomogroside IV A
Peak:m/z	Relative Intensity
81.03436	0.6
83.01391	5.2
84.02142	0.4
85.02954	23.0
86.00093	1.1
87.00881	6.8
88.98769	0.6
89.02446	25.9
95.01393	4.7
97.02909	1.6
98.19874	0.6
99.00887	3.7
101.02448	34.9
102.02755	0.5
104.26471	0.5
105.44139	0.4
109.02876	0.5
111.00802	1.0
111.08104	0.8
113.02451	26.2
113.05989	0.5
114.93344	1.2
115.00295	1.6
115.03982	0.5
115.05535	2.6
117.07038	0.6
117.43533	0.4
119.03502	9.1
123.04482	0.5
125.02458	2.5
129.01859	0.6
131.03505	7.6
133.01450	2.4
133.02235	0.5
133.02759	0.4
143.02599	0.4
143.03494	4.2
149.04515	0.7
159.02992	2.5
161.04573	17.2
161.05907	1.6
162.03163	0.5
179.05609	23.4
187.04001	4.1
187.34966	0.4
221.04597	0.8
221.06659	17.7
263.07703	21.8
323.09787	1.2
335.95242	0.5
341.10886	0.8
357.27878	2.6
359.29361	1.2
473.14600	2.4
473.36237	1.6
521.34723	1.6
545.63885	0.5
575.39404	0.6
617.40820	0.6
635.41663	7.5
636.42072	0.6
707.09021	0.5
727.78613	0.5
737.23187	2.8
779.45807	11.0
780.46246	1.5
797.46906	100.0
798.47168	10.9
811.48352	0.8
839.47919	10.4
840.48169	1.8
1001.53296	7.8
1002.53967	1.0
1121.57458	66.4
1122.57910	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	1123.5903
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01391	3.6
85.00130	0.2
85.02952	9.7
86.00069	0.2
86.03304	0.3
87.00881	2.2
89.02445	10.1
95.01386	2.7
97.02950	0.8
99.00879	2.2
99.72753	0.2
101.02443	17.7
101.17404	0.2
102.02752	0.2
104.38002	0.2
111.00877	0.5
112.01640	0.3
113.02449	10.8
114.02785	0.3
116.92844	0.5
119.03500	3.5
119.61060	0.2
123.04547	0.3
125.02449	1.2
125.61079	0.2
129.01923	0.4
131.03514	1.4
139.00380	0.2
143.03523	1.3
149.04489	0.4
150.03233	0.3
159.02988	1.6
161.04561	4.4
161.05920	0.4
162.03470	0.2
162.04832	0.2
163.03954	0.2
166.40395	0.2
179.05600	0.7
187.04044	0.4
210.58119	0.2
221.06602	1.9
248.56345	0.2
267.37296	0.2
637.42975	0.5
659.36621	0.2
799.48456	1.4
909.80328	0.2
961.53772	6.3
962.53949	1.1
1123.59021	100.0
1124.59192	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	1125.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03467	0.3
83.01398	2.1
84.02173	0.3
85.02950	8.2
87.00882	1.5
89.02447	6.4
91.05528	0.7
93.03475	0.8
93.49366	0.3
95.01390	2.1
95.05055	0.6
96.96051	0.4
97.02956	0.6
98.20653	0.6
99.00877	4.4
101.01779	0.6
101.02451	11.7
107.15160	0.3
108.02153	0.4
109.02945	0.5
111.00953	0.3
113.02457	12.9
115.00400	0.4
115.05541	72.9
116.05882	2.0
117.03464	2.2
117.07112	13.2
118.07428	0.4
119.03513	3.3
121.02959	0.4
123.04519	3.8
125.02441	1.2
131.03500	0.4
137.02480	0.5
139.84813	0.3
143.03497	2.4
143.05020	7.6
145.02956	0.3
146.03767	0.6
149.02518	1.4
149.04543	0.7
150.03212	1.2
151.04102	0.3
159.02979	0.8
161.04579	8.2
161.06082	28.1
162.04863	0.3
162.06432	0.7
164.04749	0.4
165.05540	0.9
175.02507	0.8
175.03926	0.4
179.05609	1.1
179.07051	0.5
187.04007	100.0
188.04333	3.3
195.06604	0.7
195.47125	0.3
203.05551	0.6
205.03339	0.3
205.05089	3.8
221.06616	1.3
227.03459	0.8
241.05060	0.3
255.03023	1.2
263.07742	0.4
283.02582	0.4
284.03305	1.2
285.04044	3.2
323.09805	11.8
324.10220	0.5
327.12396	1.6
365.10843	0.6
375.14600	0.6
427.12549	1.3
447.15137	7.5
448.15283	0.7
455.13495	0.4
473.14529	24.8
474.15005	1.6
499.88510	0.3
515.15552	1.7
527.41315	0.4
593.15259	2.2
617.18610	0.3
635.19794	46.2
636.20074	4.9
653.20831	0.9
654.21252	0.3
677.20892	4.2
678.21039	0.4
695.21899	17.6
696.22186	2.0
707.35339	0.4
797.25104	0.4
815.26691	1.1
857.27216	47.6
858.27502	6.5
903.29364	1.3
937.59143	0.4
945.29980	0.4
949.35455	0.4
1124.59485	0.8
1125.37927	0.4
1125.59558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	0.7
85.02937	0.2
93.03480	0.2
98.19794	0.3
99.12125	0.2
101.02451	0.5
107.01391	2.1
108.02188	0.5
109.02965	0.7
109.48870	0.1
119.05047	0.2
121.02942	1.2
124.01657	0.2
125.02422	0.4
135.00865	0.4
143.04990	0.2
148.01666	0.5
149.02509	0.2
151.00371	7.8
152.00700	0.2
152.03511	0.2
153.01961	0.3
159.04517	0.2
161.02466	0.3
163.00362	1.3
163.04042	0.3
164.01118	0.4
169.01463	0.4
175.03952	0.2
178.99857	4.5
183.04573	0.4
187.03943	0.4
190.02644	0.1
193.01378	0.2
197.02646	0.2
198.03195	0.2
199.04085	0.4
201.05560	0.3
203.03471	0.2
211.04053	0.5
215.03520	0.5
216.04271	0.4
226.02777	0.8
227.03502	2.0
229.05066	0.6
239.03488	0.2
243.02972	6.5
244.03485	0.5
245.04538	0.7
254.02203	1.6
255.02977	16.8
256.03369	0.9
257.04468	0.2
269.10492	0.2
271.02472	37.0
272.02951	2.5
273.03986	0.9
283.02463	0.8
283.05960	0.3
284.03293	0.3
285.03989	0.7
299.02075	0.9
299.05130	0.2
300.02744	67.8
301.03458	24.3
302.03940	1.3
311.05542	1.0
341.06546	0.2
343.04495	0.8
401.11761	0.2
415.16129	0.4
431.09778	1.0
433.11411	0.2
457.17267	0.7
625.14063	100.0
626.14441	9.5
763.81012	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	0.6
85.02952	2.1
87.00874	1.1
89.02444	5.6
91.05537	0.9
93.03465	0.5
95.01384	0.6
98.19859	0.6
101.02443	4.8
113.02454	2.7
115.05537	64.5
116.05872	1.8
117.03460	2.5
117.07108	12.5
118.07408	0.3
119.03522	1.9
119.05007	0.3
121.02952	0.3
123.04536	3.2
127.99861	0.2
130.22786	0.2
131.03499	0.9
133.06612	1.0
135.04510	0.5
136.01619	0.2
143.03503	0.9
143.05023	6.9
144.05334	0.2
149.04559	0.2
150.03217	0.3
151.03981	0.6
161.06071	31.3
162.06416	1.0
163.04012	1.1
165.05560	0.6
167.31169	0.2
175.02522	0.3
179.05617	4.9
181.05040	0.2
187.03999	100.0
188.04344	4.4
194.05251	0.3
205.05054	6.4
205.06915	0.4
221.09702	0.4
241.41595	0.2
257.08401	0.3
295.85187	0.2
323.05945	0.4
367.10251	0.6
385.11490	1.2
402.05795	0.2
405.13782	0.4
437.24258	0.3
464.56808	0.2
473.14505	79.8
474.14877	6.5
491.15729	0.7
653.20850	51.5
654.21173	5.6
668.36084	0.3
741.24194	0.7
929.53851	0.5
1091.60083	16.5
1092.60718	0.7
1127.35901	0.6
1127.57617	4.2
1128.35217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01394	2.9
85.02956	12.1
85.05872	0.2
86.00160	0.4
87.00880	2.3
87.04569	0.5
89.02448	2.9
95.01395	2.2
97.02956	1.1
99.00880	3.7
101.02451	15.4
103.04002	1.2
109.03027	0.3
111.00974	0.2
113.02457	11.4
114.02824	0.2
115.04002	0.9
119.03508	0.9
123.04597	0.2
125.02470	1.6
125.03233	0.2
127.04097	0.5
127.11322	0.2
129.02013	0.5
131.03526	0.9
143.03508	3.2
145.05132	0.5
151.04062	0.2
159.03020	2.7
159.04234	0.2
161.04567	13.6
162.05000	0.4
163.06134	2.7
169.12381	0.2
205.03539	0.4
205.07184	1.3
210.89326	0.2
247.08191	1.3
255.03014	0.2
257.08237	0.2
265.09140	0.2
265.14423	0.4
284.03656	0.3
285.03885	0.2
286.08505	0.3
296.27142	0.2
313.16556	1.2
331.17627	8.4
332.18100	0.6
373.18652	2.2
391.19226	0.2
441.21606	0.4
459.22427	0.9
463.16479	0.3
477.23438	41.9
478.23727	3.3
519.24469	100.0
520.24817	8.5
521.24554	0.3
878.03326	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1127.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	0.4
83.01392	3.5
85.02956	14.8
86.00104	0.6
86.03308	0.2
87.00878	3.3
87.04525	0.9
89.02451	4.1
90.81895	0.2
95.01402	2.6
97.02972	1.2
98.19846	0.4
99.00889	3.8
99.04519	0.2
101.02449	21.3
102.02811	0.2
103.04026	1.8
109.02974	0.4
111.00878	0.5
112.01693	0.2
113.02458	12.9
115.04027	1.0
119.03506	1.5
125.02451	1.9
127.04027	0.7
129.01942	0.7
131.03510	1.8
143.03499	4.2
145.05055	0.9
153.36488	0.2
159.02995	3.3
161.04562	16.7
162.04936	0.5
163.06129	5.6
179.05600	0.2
203.05685	0.2
205.03494	0.4
205.07152	2.7
224.54195	0.2
247.08243	2.7
255.02901	0.3
255.99141	0.2
265.09360	0.6
265.14307	0.3
304.94620	0.2
313.16666	1.0
331.17615	9.0
332.17993	0.7
373.18674	1.9
374.18869	0.2
413.30539	0.2
441.21411	0.4
459.22205	1.0
477.23422	42.4
478.23788	3.0
519.24469	100.0
520.24799	7.8
521.24615	0.3
577.15515	0.2
1127.59497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01371	0.9
85.02950	4.4
87.00874	1.2
89.02455	3.6
91.05534	2.3
93.03476	0.8
95.01379	1.0
97.02975	1.2
99.00877	1.7
101.02448	6.2
111.00887	1.1
113.02467	5.1
115.05539	87.8
116.05882	2.0
117.03455	4.5
117.07111	8.2
118.07434	0.6
119.03513	1.5
123.04520	8.2
123.25890	0.5
125.02460	5.0
131.03462	0.8
133.06609	1.1
137.02405	0.6
141.02034	0.7
143.03506	2.8
143.05028	7.8
149.02423	0.8
161.04579	3.7
161.06070	15.7
161.07413	0.8
162.06435	0.5
163.04016	7.3
177.05502	0.6
179.05640	1.2
185.04585	0.7
187.04004	100.0
188.04375	3.2
205.05081	4.3
212.08443	0.8
221.06593	2.0
227.10786	3.2
229.05054	1.7
245.06557	2.5
263.07608	2.6
305.08679	1.2
307.06464	3.7
319.48376	0.7
323.09793	9.6
365.10782	0.9
429.14014	0.8
447.15060	15.2
448.15396	1.2
473.14026	1.0
489.16193	3.2
534.94409	0.6
635.19757	39.2
636.20013	2.5
653.20923	24.6
654.21454	2.4
677.20850	9.2
678.20978	1.0
695.21893	1.2
740.95984	0.6
784.78412	0.7
841.25604	17.4
842.25598	2.3
883.26489	5.1
884.26953	1.1
1129.33850	4.9
1130.34290	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1131.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03441	0.6
83.01382	1.1
85.02936	1.1
89.02448	0.2
91.05518	0.3
93.03460	0.3
95.01392	0.7
97.02944	1.8
99.00882	0.4
99.04517	0.2
101.02445	2.9
113.02440	1.7
115.05537	72.6
116.05884	2.1
117.03472	2.1
117.07106	8.4
118.07406	0.2
119.03497	0.7
121.02949	0.4
123.04524	3.5
124.04741	0.2
125.02447	7.1
131.03455	0.4
133.06551	0.3
143.03494	1.9
143.05014	6.6
144.05412	0.2
155.03494	0.5
161.06073	24.5
162.06410	1.0
163.04013	0.5
185.04578	1.7
187.03999	100.0
188.04337	3.4
203.05556	1.1
205.05040	2.3
213.79468	0.2
221.09691	0.4
223.11195	0.3
245.06583	0.6
265.06979	0.2
323.11316	0.7
327.10883	0.3
345.11725	0.3
365.12482	0.9
369.11926	0.4
387.13031	1.0
407.13394	0.5
429.13922	1.2
437.12250	0.2
451.11844	0.2
455.13501	2.2
456.13608	0.2
473.14526	7.0
474.14896	0.4
497.07425	0.2
497.14548	4.6
498.15027	0.3
511.14371	0.4
513.17322	0.2
515.15564	32.9
516.15900	2.5
531.18628	0.6
539.15436	0.5
557.16614	17.7
558.16943	1.7
573.19464	0.5
599.17706	1.6
737.23334	0.3
761.23175	0.3
779.24536	1.5
821.25061	5.2
822.25226	0.7
863.26129	5.2
864.27032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01396	0.8
85.02953	4.7
87.00890	0.5
89.02467	1.4
91.05554	0.4
93.03477	0.5
95.01390	1.4
97.02972	0.5
98.20647	0.7
99.00881	0.2
101.02445	6.0
113.02454	7.9
115.05540	68.1
116.05875	1.8
117.03465	2.1
117.07110	8.4
117.07964	0.3
119.03502	1.2
119.05050	0.4
123.04523	2.4
123.21883	0.2
125.02453	0.7
131.03470	0.6
131.04994	0.3
133.06599	0.6
136.52245	0.2
143.03516	2.4
143.05029	6.6
147.04526	10.4
149.02472	0.4
149.04539	1.3
161.04604	2.8
161.06064	22.8
162.06425	0.8
163.04024	1.2
187.04004	100.0
188.04318	3.5
189.05589	0.6
203.05659	0.7
205.05058	2.3
221.06573	1.1
221.09814	0.3
230.42621	0.2
230.64919	0.3
291.08917	0.2
365.12451	0.4
427.12585	0.5
433.14798	0.2
453.15933	0.3
455.13416	5.6
456.13672	0.4
469.13412	0.5
473.14511	15.7
474.14938	1.3
475.15878	0.3
497.14508	4.1
503.16495	0.2
515.15588	14.1
516.15985	1.3
545.16608	0.2
557.17010	1.1
585.17804	0.6
603.18726	23.2
604.19244	2.5
645.19806	9.1
646.20349	1.2
649.68475	0.2
677.20978	0.3
687.20795	0.3
695.22461	0.6
719.22119	1.0
737.22974	4.4
738.23926	0.3
825.26123	2.3
826.27179	0.3
867.27191	8.2
868.28070	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	0.3
83.01391	1.7
83.31415	0.2
85.02954	1.7
89.02478	0.3
91.05543	0.2
93.03455	0.4
93.43730	0.1
95.01347	0.2
95.05013	0.1
97.02944	0.6
99.00887	0.3
99.04499	0.2
99.82180	0.2
101.02447	5.5
107.12752	0.1
108.33969	0.1
113.02451	2.9
115.05539	72.7
116.05880	2.6
117.03473	2.5
117.07108	9.0
118.07474	0.2
119.03452	0.3
119.05043	0.2
121.02952	0.4
123.04530	2.5
125.02425	1.3
131.03465	0.3
133.06621	0.2
138.22601	0.2
143.03494	2.9
143.05014	7.4
144.05408	0.3
147.04526	6.8
148.04843	0.2
149.02478	0.2
149.04553	0.4
150.03242	0.2
155.03549	0.7
155.51445	0.2
161.06073	22.2
162.06381	0.8
185.04553	0.2
187.04002	100.0
188.02620	0.2
188.04337	4.0
189.04221	0.2
203.05605	2.8
205.05037	2.3
217.97542	0.2
221.06607	0.2
221.09714	0.3
222.09882	0.2
223.11208	0.2
263.07712	0.6
267.10159	0.2
323.11209	0.4
324.49081	0.2
360.92441	0.2
368.23694	0.2
395.28445	0.2
401.36099	0.2
415.13898	0.3
433.14911	0.3
453.15472	1.0
455.13480	5.6
456.13800	0.5
469.13702	1.2
473.14520	23.5
474.14880	2.1
475.15814	0.4
497.14465	0.9
515.15546	3.8
516.15845	0.4
517.16187	0.2
585.17413	0.3
603.18726	33.1
604.19104	4.6
604.27362	0.1
604.28918	0.2
645.19946	2.5
646.20056	0.3
719.21814	1.0
737.23016	5.8
738.22931	0.7
825.25970	0.7
867.27203	9.6
868.27435	1.9
1005.31659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
81.33546	0.6
83.01404	0.7
85.02937	4.1
89.02444	2.3
95.01384	1.2
96.81531	0.6
100.53752	0.6
101.02442	6.8
101.42350	0.5
113.02451	9.1
115.05539	67.5
116.05891	1.9
117.03457	2.5
117.07101	6.8
118.07406	0.5
119.03481	1.5
123.04529	1.6
125.02462	1.3
143.03511	2.2
143.05038	6.2
147.04543	7.0
149.02449	0.5
149.04512	1.7
155.03397	0.6
161.04584	4.2
161.06079	19.9
162.06422	0.7
163.03996	1.8
164.04243	0.5
187.04001	100.0
188.04311	3.5
190.57700	0.5
203.05579	1.0
205.05051	2.6
221.06744	1.5
321.90582	0.6
455.13391	4.4
456.13797	0.7
473.14517	11.8
474.14948	1.6
497.14536	2.4
515.15558	19.8
516.15930	2.2
557.16577	1.2
579.64783	0.6
585.17633	1.4
603.09619	0.6
603.18787	14.5
604.19659	0.9
645.19757	13.7
646.19714	1.6
695.21674	0.9
717.34009	0.7
737.23114	3.3
825.26263	2.8
867.27069	6.3
910.98053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02953	0.1
87.00877	0.2
88.00404	0.1
88.98808	100.0
89.99145	0.7
98.19909	0.3
101.02450	0.1
115.05544	2.3
117.07092	0.4
123.04508	0.2
124.51984	0.1
139.77109	0.1
143.05019	0.3
161.06062	1.0
187.04013	2.9
188.04387	0.2
191.75717	0.1
205.05139	0.1
306.31833	0.1
422.43378	0.1
473.14532	2.1
474.15057	0.3
491.76801	0.2
515.15955	0.3
779.24005	1.3
780.24133	0.4
781.25317	0.2
1107.22327	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01411	0.9
85.02961	0.8
87.00877	0.8
89.02464	0.5
93.03456	1.0
95.01375	0.4
97.24931	0.2
97.25569	0.2
97.39864	0.3
98.20689	0.9
99.35100	0.3
101.02448	1.6
101.25499	0.3
107.01384	1.8
109.02962	0.5
113.02451	1.0
115.00406	0.6
115.05529	1.1
117.03475	0.8
122.67528	0.3
123.04528	0.7
125.02449	0.3
132.02162	0.4
133.01430	1.0
133.02975	0.4
135.00877	0.6
137.02480	0.6
139.01253	0.3
139.04008	0.3
143.05035	1.1
145.03014	0.3
145.06619	0.3
149.02489	0.3
150.03210	0.5
151.00365	3.3
154.04332	0.4
155.05067	0.4
156.00688	0.3
157.06558	0.4
159.04526	1.0
161.02477	0.8
161.04579	0.5
161.05995	0.5
163.00380	2.0
164.01178	0.4
165.01967	0.8
165.05606	0.4
167.05087	0.4
169.06560	0.6
171.04480	0.5
173.06015	0.3
174.03227	0.3
178.99832	0.4
183.04538	1.6
185.06126	1.2
186.87924	0.2
187.04012	3.1
189.05508	0.5
195.04498	0.5
197.06000	0.5
197.72560	0.3
198.03064	0.3
199.03993	0.7
201.05537	0.4
210.03040	0.3
211.03978	2.1
213.05515	1.4
215.03397	0.4
224.04831	0.3
227.03497	23.5
228.03874	1.3
229.05040	6.4
230.32292	0.4
239.03482	1.1
240.04190	0.5
241.05080	1.4
253.05080	0.3
255.02986	50.0
256.03586	5.0
256.06345	0.4
256.07336	0.4
257.04550	3.7
267.03030	0.3
269.04446	0.4
283.02481	12.1
284.03256	53.3
285.04034	100.0
286.04379	5.7
297.04117	0.7
327.04977	2.3
357.06241	0.4
383.17206	0.4
446.08655	0.8
447.09283	1.0
473.14636	0.7
515.08759	1.3
593.15094	99.0
594.15479	9.2
635.15588	0.7
642.40460	0.3
661.14056	6.8
662.14160	0.6
737.21515	0.6
753.68530	0.3
755.20581	4.6
756.20544	0.5
823.19379	12.8
824.19415	1.5
831.26862	1.4
1139.37134	3.5
1139.59436	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	1141.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03484	0.9
83.01383	6.7
87.00893	0.9
89.02464	2.2
89.03983	0.8
91.32749	0.6
93.03452	12.8
95.01399	1.8
95.05053	1.3
97.02946	7.3
98.58625	0.5
101.02456	1.8
102.02576	0.6
103.93208	0.5
105.03468	0.6
107.05006	1.5
108.02197	1.6
109.02949	5.2
113.02435	0.7
117.03502	2.9
119.01436	0.6
119.05023	4.0
120.02172	1.5
121.02954	3.4
123.04536	5.4
124.01659	0.8
125.02446	41.0
126.02794	0.7
130.04243	0.7
131.05051	1.4
132.02147	0.6
133.02975	5.9
134.03783	4.0
135.00928	0.7
135.04523	10.0
137.02444	55.5
138.03052	0.9
139.03999	1.4
143.05040	4.3
145.02959	1.5
145.06575	1.0
147.04543	1.0
148.01649	0.7
149.02422	8.2
149.06088	0.6
151.03979	2.2
153.01941	0.7
157.06625	2.4
159.04483	1.6
160.01666	1.0
161.02448	2.3
161.06075	1.9
163.00363	6.0
163.04012	5.0
164.01154	43.1
165.01917	11.8
166.02658	1.5
167.03409	0.9
167.05046	2.0
169.06584	2.7
171.04553	3.9
172.05199	0.9
173.06117	0.8
174.03276	0.8
175.03995	4.9
176.01115	2.6
177.01930	11.4
178.02458	1.2
179.03543	1.9
180.05777	1.6
181.06561	3.4
183.04510	1.5
184.05194	0.9
185.06081	6.0
186.06812	1.4
187.04013	6.0
187.05484	0.8
187.05988	0.8
187.07559	4.1
189.01898	1.1
189.05566	3.2
190.02721	0.7
191.03467	0.7
194.05777	0.9
197.06038	1.8
199.03992	2.6
199.07666	1.6
200.04683	1.4
201.01872	1.5
201.05548	1.4
202.99840	0.7
203.03593	0.9
203.07172	2.8
205.01442	0.8
205.04980	0.9
205.08730	2.1
208.05312	1.2
209.06116	9.5
209.08066	1.3
211.04015	3.3
211.07538	3.5
212.04730	1.4
213.05574	2.8
214.02742	1.9
214.06140	0.7
215.03450	1.2
217.05028	1.5
219.03020	1.5
224.04742	1.2
225.05586	4.1
226.06076	0.8
227.03456	2.7
227.07104	3.3
228.04227	2.4
229.05077	6.3
229.08670	3.6
230.05518	0.7
231.02945	0.9
231.06558	1.6
237.05579	1.1
239.03532	0.9
240.04297	1.8
241.05083	2.5
242.02144	0.8
242.05748	1.7
243.03036	3.9
243.06653	1.8
251.03477	0.8
251.07101	1.1
252.04283	0.9
253.05054	100.0
254.05408	6.8
255.03162	5.0
255.06581	17.0
256.03738	3.7
256.06897	1.1
257.04312	0.9
261.04044	0.7
263.03491	0.9
265.05081	5.0
266.05859	1.1
267.02917	2.1
267.06552	2.3
268.03751	1.6
269.04550	4.4
269.07785	1.3
270.05258	3.0
271.03073	1.3
271.06107	26.7
272.06506	3.2
273.07684	20.5
274.07935	0.9
275.07144	0.7
277.05051	0.7
277.08615	0.7
278.05768	0.7
279.06619	2.2
281.04584	0.9
281.08221	1.8
282.01776	1.4
283.02502	2.3
283.05972	0.6
284.03336	2.8
285.04086	2.0
288.02866	2.2
291.06583	1.2
292.03674	2.8
292.06839	0.6
293.04514	2.6
293.08209	3.1
294.05328	1.6
295.02533	2.4
295.06091	2.2
297.07422	0.7
303.06622	1.7
305.08206	2.0
307.06116	1.5
308.07080	0.6
309.04089	1.1
311.05707	0.9
311.09082	0.8
312.03125	0.6
313.07257	1.1
319.06134	1.3
321.07468	0.9
323.09277	1.3
329.08179	0.9
331.06259	1.0
333.07599	0.8
335.09296	1.9
345.07703	2.3
347.09296	2.8
359.05450	1.2
359.09488	0.7
360.06412	1.0
363.09073	0.8
371.05496	2.5
373.07248	3.6
375.08832	1.7
379.08066	1.3
383.09302	1.9
385.07077	1.3
388.05798	1.2
389.06512	3.3
390.07108	0.9
391.07959	3.1
397.09225	3.0
399.08701	1.8
403.08286	1.9
407.07684	0.8
417.09805	2.0
419.11777	0.9
423.12286	0.9
433.11380	42.5
434.11691	2.8
435.12939	87.9
436.13333	4.7
441.13602	1.1
447.09485	1.4
465.14056	0.7
483.14514	0.8
501.12003	1.0
507.10718	2.4
509.12326	1.1
517.19043	1.1
525.11908	13.1
526.11945	0.9
527.14056	1.4
543.13123	2.1
545.14526	0.8
551.12250	2.0
553.13593	2.1
563.15552	1.3
569.12988	9.0
571.14539	7.4
579.14929	5.8
581.16260	0.8
583.14612	1.4
603.19135	0.7
631.32794	0.7
645.19183	0.8
671.17816	4.7
689.18726	12.9
690.18793	1.5
705.18188	80.4
706.18652	11.0
707.19556	2.6
717.18018	0.8
743.21887	3.3
807.18176	1.4
825.19287	1.0
835.22009	3.3
843.21503	2.2
867.22339	0.7
869.25031	22.3
870.25085	3.8
943.24615	2.7
961.25128	3.4
987.25446	1.1
1015.28082	3.4
1016.28064	0.7
1084.54456	0.7
1141.31335	9.7
1142.33093	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	1141.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03464	1.0
83.01386	9.4
89.02458	0.5
89.03999	1.0
93.03456	12.3
95.01406	3.0
95.05030	1.3
97.02968	7.1
98.19910	1.2
101.02450	1.2
104.82613	0.6
105.03481	0.9
107.05024	2.2
108.02137	2.7
109.02955	6.6
112.74561	0.6
113.02493	1.2
115.05533	0.6
116.24216	0.5
116.56016	0.5
117.03469	2.5
119.05026	4.4
120.02191	4.9
121.02950	3.9
123.00936	0.6
123.04525	10.0
124.01677	1.3
125.02447	40.9
126.02736	1.0
131.05029	0.8
133.02968	9.1
134.03798	3.5
135.00894	1.1
135.04521	10.1
137.02446	62.8
138.02774	0.5
139.03998	1.3
143.05043	2.7
145.02927	1.9
145.06543	0.6
146.03783	0.8
147.04524	1.5
148.01697	1.5
149.02435	9.8
151.04012	2.1
156.05826	0.9
157.06586	2.3
158.03761	1.1
159.04526	2.1
161.02451	2.3
161.06102	2.3
163.00385	10.3
163.04022	4.7
164.01157	91.2
165.01941	19.3
166.02541	0.9
167.03511	0.5
167.04977	1.3
168.05753	0.5
169.06618	3.1
171.04507	2.2
172.05119	0.7
173.02441	1.8
173.06104	1.2
174.03186	0.6
175.03996	5.1
176.01166	6.7
177.01927	11.9
178.02631	1.0
179.03528	0.7
180.05867	1.5
181.06570	1.9
182.03799	0.8
183.04523	2.2
183.08154	0.9
184.05252	1.0
185.06087	8.7
186.03275	0.7
186.06816	1.0
187.03990	8.2
187.07590	3.2
188.04604	0.9
189.01897	2.9
189.05568	2.3
190.02702	1.7
191.03549	1.3
193.06638	0.7
195.04523	0.9
196.05255	0.9
197.06107	1.6
199.04008	2.5
199.07648	1.9
200.04666	0.9
201.01871	1.6
201.05533	1.9
202.99879	0.9
203.03580	1.6
203.07161	4.5
205.05090	1.2
205.08701	1.8
209.06055	4.4
210.06583	0.8
211.03946	3.7
211.07600	3.6
212.04729	1.2
213.01955	1.0
213.05640	2.6
214.02692	2.9
215.03479	2.2
217.01479	1.0
217.05054	2.2
219.03020	1.6
221.06161	1.0
223.07625	0.8
224.04643	0.7
225.02034	0.6
225.05592	4.0
227.03467	2.2
227.07066	3.8
228.04251	3.5
229.05086	8.7
229.08536	3.4
230.01990	0.6
231.03021	0.9
237.05585	1.3
239.03499	2.1
239.07202	0.8
240.04138	1.2
241.05003	3.2
243.00529	0.8
243.02977	4.9
243.06471	1.2
251.07083	1.3
252.04382	0.9
253.05057	44.0
254.05597	3.0
255.03003	9.0
255.06630	14.0
256.03751	4.3
256.06479	0.7
257.04675	2.6
261.09335	0.6
263.03262	1.0
263.07083	1.0
265.05103	3.9
266.05600	1.0
267.03009	2.3
267.06522	4.6
268.03763	2.0
268.06656	0.6
269.04581	2.5
269.08151	2.1
270.05222	3.2
271.06107	74.3
272.06387	3.2
273.04147	2.1
273.07693	11.7
275.07233	0.8
277.05179	0.7
277.08795	0.9
279.06671	1.2
281.04562	1.8
281.08185	1.8
282.01685	2.3
282.04684	0.7
283.02411	2.1
283.05930	1.2
284.02972	1.0
285.03940	3.1
288.02502	0.7
290.05704	0.8
291.06500	2.7
292.03809	4.4
293.04541	3.2
293.08215	3.7
294.05347	2.4
295.02887	0.9
295.06155	6.3
297.04135	1.0
300.02707	2.2
301.03409	0.9
303.06665	1.8
305.04767	1.1
305.08148	3.1
307.06158	1.0
309.04147	0.7
309.07593	0.8
311.01917	2.4
311.05283	1.0
312.02817	1.5
312.06445	1.3
313.07230	1.6
317.08011	0.8
321.07819	0.7
323.09277	2.1
325.07031	0.7
329.08618	1.5
331.06104	2.0
332.06833	1.7
333.07626	2.2
335.05640	1.1
335.09085	1.0
345.07706	1.6
347.09320	2.8
349.07187	0.7
350.08136	1.8
351.08728	1.5
357.07938	0.7
361.07153	2.0
363.08966	1.5
373.07089	5.0
374.07867	2.8
375.08707	2.8
379.08304	5.2
387.08951	0.7
389.06528	2.3
391.08197	4.0
397.10654	0.8
399.08670	2.3
401.10593	1.2
403.08231	1.3
407.07678	12.2
408.08203	1.0
417.09741	1.5
418.06848	5.7
419.06961	2.8
433.11380	23.9
434.11334	1.8
435.12958	56.8
436.13351	4.0
439.11816	1.7
474.11261	1.5
481.12817	3.0
481.48877	0.7
507.10678	1.7
525.11896	35.5
526.12091	3.4
527.15405	1.1
553.13568	5.7
559.14587	6.1
569.13025	1.3
571.14581	13.5
572.14996	1.0
579.14929	3.4
581.16632	8.8
582.17426	0.9
598.12927	3.9
665.18750	0.9
689.18945	2.8
705.18195	100.0
706.18469	12.8
707.19800	27.3
708.19794	3.0
771.20306	1.2
807.19427	1.3
825.20734	1.2
843.21606	1.9
943.24622	2.4
961.25891	1.6
987.24976	1.4
1005.26593	1.7
1015.28687	2.7
1141.31897	8.2
1142.31909	2.1
1167.23828	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1141.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	0.5
83.01390	2.6
85.02953	11.2
86.00082	0.4
87.00877	2.2
87.04511	0.5
89.02454	3.5
93.03443	0.3
95.01406	1.7
97.02959	1.2
99.00878	3.2
99.04506	0.3
101.02447	15.1
103.03999	1.1
107.01431	0.4
107.31279	0.2
109.02982	0.2
111.00877	0.5
112.01713	0.3
113.02452	10.6
115.04000	0.9
119.03515	0.9
119.05003	0.3
125.02465	2.1
127.04036	0.5
129.01941	0.4
131.03500	0.9
135.00902	0.2
137.02432	0.4
143.03513	3.5
145.03033	0.3
145.05078	0.5
148.05821	0.2
151.00359	0.7
159.02995	2.8
159.06607	0.3
161.04555	13.7
162.04880	0.2
163.06204	1.1
164.01213	0.3
167.03456	0.3
169.12282	0.6
175.02528	0.2
183.04468	0.2
185.06064	0.2
195.06718	0.3
205.03600	0.3
205.07092	1.1
211.04018	0.6
223.03976	0.2
225.73305	0.2
227.03494	12.3
228.03879	0.7
229.05025	0.6
239.03407	0.3
255.02982	21.8
256.03580	1.8
257.04547	0.5
265.14487	1.3
283.02469	0.4
284.03256	29.0
285.03958	5.3
300.02866	0.2
313.16522	2.1
315.08746	0.6
331.17599	10.2
332.17685	0.5
345.09818	0.4
373.18680	3.7
395.15207	0.3
435.12991	0.5
441.21121	0.4
459.22241	1.1
477.23407	41.1
478.23767	2.5
519.24457	100.0
520.16968	0.3
520.24786	7.7
577.15625	29.1
578.15979	2.3
705.18463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03464	0.7
83.01385	1.5
84.02150	0.5
85.02952	7.1
87.00880	1.4
89.02441	2.9
91.05537	5.4
93.03467	0.5
95.01382	1.9
95.05034	0.6
97.02936	2.3
97.87175	0.2
99.00865	1.0
99.04522	0.7
101.02450	4.2
101.03975	0.2
109.02936	0.4
110.07227	0.2
111.04501	0.4
113.02448	8.4
115.05536	60.8
116.05882	1.7
117.03471	3.6
117.07104	32.8
118.07452	0.7
119.03480	1.8
119.05038	0.3
123.00864	0.3
123.04523	10.2
124.62582	0.2
125.02447	8.1
127.04018	0.8
127.07668	0.4
131.03479	0.5
131.05019	0.4
133.06599	6.9
134.03757	0.7
135.04527	1.0
137.02480	0.7
141.07117	6.5
143.03485	8.8
143.05006	6.1
145.06578	0.9
149.06087	0.5
153.05542	1.0
155.03513	2.9
157.05058	0.4
157.06578	0.8
157.44348	0.3
159.08160	0.9
160.01665	0.6
161.06075	100.0
162.06427	2.8
163.03999	14.8
163.05411	0.5
164.04353	0.5
167.03482	0.6
171.08083	0.6
173.06064	0.6
175.04002	0.7
175.07626	0.9
177.05527	0.3
179.05624	3.7
179.07092	0.3
183.08136	0.3
185.04558	9.3
185.06036	0.8
187.03996	98.2
188.04352	3.7
189.05559	0.8
189.09273	0.3
193.05037	0.5
197.06104	0.3
201.05576	4.2
201.09196	0.3
203.05597	0.7
203.07259	0.6
205.05051	11.6
215.07159	0.7
223.06096	6.6
224.06517	0.4
227.07133	0.3
229.05034	5.0
245.06570	2.4
247.06084	5.1
249.09291	0.3
259.06244	0.3
265.07141	2.6
271.06116	0.3
277.07019	0.4
285.09772	5.3
305.08856	0.3
307.08112	0.4
323.11340	22.6
324.11615	1.3
325.09232	0.6
331.08096	0.7
345.11890	12.8
346.12140	0.7
349.09302	0.4
351.11060	0.3
367.10226	0.9
385.11404	9.1
386.11755	0.3
391.10352	0.8
409.11273	1.0
431.13434	0.3
451.12445	2.2
457.15201	0.3
461.14368	0.4
473.14511	39.4
474.14856	2.9
489.17651	7.5
490.18024	0.4
491.15594	0.5
497.14734	0.5
503.15564	0.4
511.14532	5.3
512.14471	0.3
515.15540	4.5
516.16046	0.4
545.26984	0.3
557.16620	0.4
573.19513	0.3
575.18164	0.4
619.17706	0.3
635.19775	0.4
657.20105	0.4
671.09167	0.3
737.22821	1.0
759.27283	0.3
779.24011	87.2
780.24335	10.5
780.39044	0.4
870.74884	0.2
879.27936	0.4
912.57391	0.3
925.27875	4.3
926.28162	0.6
967.29364	0.7
985.29602	2.0
1027.30713	0.7
1028.29944	0.3
1147.35071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01373	0.3
85.02950	1.2
89.02444	0.8
90.02802	0.2
91.05527	2.5
93.03493	0.5
97.02978	0.4
101.02448	1.0
113.02448	1.4
114.54916	0.2
115.05539	77.6
116.05882	2.2
117.03450	2.6
117.07108	9.9
118.07445	0.4
118.94888	0.2
119.03498	0.4
121.02956	0.4
123.04535	2.5
125.02442	1.9
127.03967	0.3
133.06583	1.9
141.07082	1.0
143.03490	1.8
143.05029	7.1
145.06592	0.3
155.03534	0.5
157.06573	0.4
159.08200	0.6
161.06078	21.7
162.06403	0.6
163.04024	1.8
173.06157	0.3
179.05632	1.1
185.04529	3.7
185.06087	1.7
187.04001	100.0
188.04349	3.5
201.05556	0.6
203.05473	0.4
203.07184	0.7
205.05058	11.5
206.05476	0.4
221.09673	0.4
223.06116	5.3
229.05069	1.1
245.06563	1.1
247.06104	1.6
265.07159	2.7
345.11838	0.7
349.09045	0.3
385.11417	2.1
386.11835	0.3
391.10245	1.1
409.11511	0.6
451.12479	3.8
452.13028	0.3
466.77744	0.3
473.14523	52.2
474.14908	4.3
511.14566	2.3
515.15582	1.9
553.15857	0.3
719.22339	0.4
719.40295	0.3
779.24066	7.2
780.24384	0.7
843.27063	0.3
985.29492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1147.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
81.42755	0.3
82.73286	0.3
85.02950	1.1
89.02460	1.2
91.05535	1.7
91.71116	0.4
93.03479	0.6
94.87488	0.3
96.96005	1.1
97.02965	0.6
101.02457	0.9
113.02423	1.6
115.05537	84.8
116.05875	2.0
117.03465	2.9
117.07101	11.9
119.03484	0.7
121.02947	0.6
123.04527	2.5
125.02452	1.7
133.06609	1.9
135.04509	0.6
141.07040	0.6
143.03503	1.6
143.05022	7.9
143.06088	0.6
145.06654	0.5
149.02480	0.3
155.03520	0.7
157.06564	0.7
159.08150	0.7
161.04651	0.9
161.06067	21.6
162.06387	0.5
163.03954	1.9
167.03487	0.3
171.29942	0.3
179.05566	1.4
185.04555	3.2
185.06076	1.3
187.03998	100.0
188.04335	3.3
196.16191	0.3
201.05673	0.5
203.07237	0.7
205.05054	11.0
206.05521	0.4
221.09738	0.7
223.06105	5.4
229.05035	1.0
245.06689	0.8
247.06194	1.5
265.07147	2.4
305.08862	0.4
345.11865	0.4
349.20459	0.3
385.11444	2.2
391.10382	1.0
409.11383	0.3
451.12375	3.8
473.14499	54.9
474.14972	3.5
511.14667	1.9
515.15540	1.8
553.15332	0.5
645.34637	0.4
779.24158	5.0
780.23474	0.4
804.93793	0.4
985.28845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02943	0.7
91.05526	1.0
94.58616	0.4
97.02948	0.7
101.02467	0.8
113.02515	0.7
115.05537	79.2
116.05872	7.6
117.03471	2.3
117.06267	0.7
117.07112	12.5
118.07423	1.1
119.03538	0.7
123.04530	6.1
125.02448	3.0
130.21788	0.4
133.06586	0.5
134.06958	0.5
143.03491	0.5
143.03786	0.6
143.05023	8.4
144.05385	0.9
161.06075	32.6
162.06425	3.0
163.04066	0.6
185.04521	0.9
185.06047	0.5
186.04823	0.5
187.04001	100.0
188.04341	11.6
189.04510	1.7
205.05081	6.1
206.05327	1.2
223.06087	0.9
245.06912	0.6
285.09714	1.6
323.11398	5.5
345.11896	3.8
346.12155	0.5
451.11987	0.8
473.14508	57.9
474.14828	12.1
475.14944	4.5
489.17828	2.1
492.39819	0.5
515.15430	3.8
516.15991	0.6
553.15564	1.3
557.16803	0.6
613.19818	0.4
779.23883	1.8
780.24664	0.9
781.24951	1.0
821.25079	36.2
822.25500	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	115.0037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.0
59.01381	11.3
60.14638	0.5
63.74130	0.5
70.94975	0.9
70.95312	0.9
71.01385	1.5
72.99301	2.5
87.00875	100.0
88.01225	2.7
115.00367	1.9
128.83978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05962	0.7
58.00575	0.9
59.01381	13.2
60.75421	0.7
68.49404	0.7
70.73115	1.8
71.01379	4.0
72.99297	2.8
74.51958	0.5
87.00877	100.0
88.01237	3.5
98.26593	0.6
109.01253	0.6
112.25580	0.7
114.93370	0.8
115.00362	2.5
116.07191	2.3
125.68011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
53.65396	0.7
58.72402	0.5
59.01378	11.3
62.72006	0.6
71.01379	1.7
71.54147	0.9
72.99301	2.6
87.00877	100.0
88.01215	2.4
90.87126	0.6
91.68640	0.6
94.90248	0.6
106.93532	0.6
110.99574	0.6
115.00376	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	115.0038
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
59.01392	28.2
71.01385	66.3
71.05025	12.9
72.99319	8.2
83.48199	5.8
87.00884	55.8
89.81445	4.9
97.93122	19.3
99.53395	8.1
107.81445	5.8
114.73949	5.3
114.93400	45.6
115.00374	100.0
115.04005	16.1
116.05055	21.1
116.07146	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
84.32467	0.3
85.02956	1.6
88.50517	0.3
91.05534	9.7
93.03461	0.7
95.01376	0.6
96.95985	0.8
98.19876	1.5
98.95585	0.5
101.02435	2.0
109.65408	0.3
113.02460	2.2
115.05535	66.6
116.05900	2.4
117.03462	5.5
117.07106	7.2
119.05023	0.4
123.04504	3.5
125.02429	0.7
131.05029	1.1
133.06609	1.0
134.78871	0.4
135.04506	3.9
137.34915	0.3
140.69934	0.3
143.03528	1.3
143.05011	6.2
144.05420	0.4
149.06094	0.7
159.04550	1.7
161.04648	1.1
161.06071	19.4
162.06395	1.4
163.04007	79.4
164.04367	1.9
173.06052	0.6
177.05646	0.4
178.56697	0.3
187.03998	100.0
188.04346	5.1
203.05643	0.3
205.05069	4.7
229.05159	0.6
230.50560	0.6
307.08276	0.4
323.11411	0.8
360.98679	0.4
367.10303	0.9
385.97601	0.3
431.13229	1.6
455.13452	3.8
469.13293	0.6
473.14514	30.4
474.14819	3.9
491.15280	2.2
492.16028	0.6
497.14398	1.2
515.15607	8.7
516.15747	1.3
575.18445	0.5
591.19000	1.7
619.18170	4.2
620.18237	0.5
677.20996	2.2
695.21857	5.5
696.21545	0.4
719.21765	2.4
720.22467	0.6
737.22845	5.4
738.22980	0.9
841.25330	1.9
855.27246	1.0
865.25989	0.4
883.26508	8.7
883.42889	0.6
884.27173	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	1151.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	0.5
85.02956	1.6
91.05531	11.7
93.03466	0.7
95.01388	0.4
95.05015	0.2
97.02991	0.3
99.00907	0.3
99.04547	0.2
101.02453	1.3
101.03974	0.2
106.90959	0.2
113.02441	2.2
115.05537	62.3
116.05872	1.8
117.03464	2.6
117.07109	7.5
119.05042	0.7
121.02968	0.5
123.04532	2.5
125.02426	0.8
131.05048	0.7
133.06618	0.4
135.04520	5.0
143.03511	2.2
143.05019	5.7
143.06079	0.4
143.45622	0.2
145.02939	0.7
145.06554	0.5
149.02411	0.4
149.06049	0.8
150.03201	0.3
153.05623	0.2
157.06522	0.3
159.04518	0.3
161.06075	18.2
162.06439	0.5
163.04005	100.0
164.04338	3.2
165.05475	0.3
169.06642	0.7
171.45308	0.3
173.05988	0.4
177.05569	0.5
187.03999	73.0
188.04341	2.7
195.06602	0.2
199.07701	0.2
203.05624	0.6
205.05051	3.2
215.07133	0.4
221.06541	0.3
221.09694	0.4
229.05086	0.3
241.05098	0.2
245.08095	0.2
247.69762	0.2
258.01208	0.2
285.09714	0.3
289.07086	0.4
307.08279	0.8
323.11374	1.5
345.11826	0.4
349.09125	0.5
367.10846	0.2
409.11261	0.3
431.13379	3.4
432.13315	0.4
449.59244	0.3
455.13443	5.4
456.13638	0.5
469.13644	0.8
473.14499	36.7
474.14899	3.7
489.17804	0.3
497.14316	0.7
515.15509	2.5
516.15747	0.3
538.60394	0.2
575.19312	0.8
591.18689	2.2
615.17334	0.4
619.18176	8.3
620.18091	1.0
661.19366	0.4
677.20947	0.6
695.21887	0.9
719.21899	2.8
720.21887	0.3
737.09760	0.4
737.22925	8.2
738.23395	0.9
841.25568	0.2
855.26563	1.1
883.26654	10.9
884.26898	2.4
887.63342	0.2
1089.57434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1151.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.4
85.02951	1.0
87.00878	0.1
89.02443	0.3
91.05531	6.9
92.05846	0.1
93.03464	0.8
95.01386	0.4
95.05077	0.2
97.02973	0.2
99.00867	0.1
100.72943	0.1
101.02446	1.7
101.03960	0.1
113.02451	1.7
115.05537	62.2
116.05882	2.0
117.03465	6.2
117.07106	6.0
118.03873	0.1
118.07397	0.2
119.03442	0.2
119.05043	0.5
121.02944	0.3
123.04523	5.3
124.04819	0.1
125.02459	0.3
131.03461	0.2
131.05052	0.8
133.06598	1.1
135.04524	2.2
136.04875	0.1
141.07104	0.6
143.03526	0.4
143.05025	5.0
145.06593	0.3
147.04567	0.2
149.02452	0.3
149.06097	0.5
153.07175	0.1
157.06552	0.2
159.04515	1.7
161.06073	14.9
162.06360	0.6
163.04005	51.0
164.04367	1.4
173.06084	0.2
177.05540	0.3
185.06091	0.4
187.03998	100.0
188.04332	3.5
188.05930	0.2
189.05598	0.2
199.04019	0.2
201.05615	0.2
205.05046	2.9
217.04994	0.2
221.06581	0.2
221.09689	0.3
223.11252	0.2
229.05144	0.7
235.06131	0.4
241.05028	0.2
247.06055	0.2
256.07303	0.1
259.06134	0.2
265.07104	0.4
285.09821	0.3
307.08179	0.4
323.11258	0.3
331.07999	0.2
333.04568	0.2
353.09021	0.2
367.10300	0.5
427.12479	0.3
431.13458	0.5
455.13422	3.4
456.13577	0.3
473.14514	15.3
474.14807	1.4
491.15604	5.1
492.15991	0.5
497.14575	1.9
498.14713	0.2
515.15546	17.2
516.15826	1.5
521.76733	0.1
541.13562	0.2
557.16821	0.3
559.14240	0.1
573.15973	0.1
575.18964	0.2
591.18695	0.5
617.19000	0.3
617.55267	0.1
619.18170	0.9
633.19659	0.7
635.19781	0.3
661.19031	1.7
662.19800	0.2
677.20850	2.0
678.21222	0.2
679.19971	1.1
680.21149	0.2
695.21863	6.1
696.22766	0.6
719.21735	1.5
737.22968	3.2
738.22852	0.6
779.24567	0.7
809.24030	0.2
813.25586	0.6
823.24695	0.5
841.25635	2.3
842.26044	0.4
847.22949	0.3
855.27863	0.6
865.25629	0.8
866.26093	0.2
883.26630	7.6
884.27130	1.3
929.28326	0.3
947.30310	0.2
948.31348	0.1
1009.27100	0.2
1115.32349	0.2
1151.35352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1152.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
83.34303	7.5
102.36075	6.4
115.05534	83.8
116.05857	20.8
117.07100	13.5
123.04591	7.7
143.05014	8.4
161.06078	46.2
187.04013	100.0
188.04323	29.7
189.04501	9.5
202.54610	7.9
277.46750	6.6
404.67142	7.5
428.35736	6.8
473.14490	74.5
474.14728	26.3
475.14963	19.7
476.15323	11.3
515.15381	7.8
764.55719	7.5
821.24890	72.4
822.25415	13.1
823.25500	13.8
824.25769	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	1154.5958
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01384	1.2
85.02945	4.5
87.00876	4.6
88.98792	1.6
89.02418	1.5
91.05528	1.5
93.03445	1.3
99.92554	2.0
101.02461	6.1
104.76175	1.2
113.02461	4.2
115.00333	2.8
115.05540	14.1
116.05910	3.5
116.92837	2.1
117.03461	1.7
117.07117	1.8
121.02966	1.3
123.00869	1.9
123.04515	3.3
125.02485	2.5
135.04507	2.4
135.54373	1.3
136.01718	1.6
137.02391	1.7
143.03545	1.6
145.02950	2.1
149.02478	3.4
150.03221	5.2
153.01814	1.5
161.02438	1.5
161.06062	5.3
162.03207	1.4
163.04012	10.7
164.04419	4.0
165.05531	5.5
175.02493	3.8
175.03958	2.4
179.03432	2.1
187.03996	17.6
188.04376	6.5
195.06616	3.3
205.05121	1.9
227.03302	1.4
241.05080	2.1
256.07379	2.9
271.09741	2.2
285.04050	3.0
473.14502	5.2
474.14590	2.7
479.25253	1.5
503.75925	1.4
1091.59937	98.5
1092.60437	20.5
1094.61157	5.8
1154.59741	100.0
1155.60498	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	1167.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
81.72777	0.3
93.03452	0.4
97.02969	0.7
101.02444	0.5
109.60062	0.3
113.02431	0.7
115.05540	68.1
116.05865	2.1
117.03472	2.4
117.07107	11.3
123.04522	6.1
125.02449	3.3
133.06593	0.4
143.03450	0.5
143.03758	0.5
143.05025	6.9
144.05461	0.4
149.02412	0.4
161.06078	37.3
162.06380	1.1
167.03494	0.9
185.04544	0.7
187.04002	100.0
188.04337	3.4
205.05055	3.6
221.09721	0.4
227.05582	1.0
229.64235	0.3
253.69217	0.3
267.10434	0.4
285.09790	0.5
287.07785	0.9
294.38821	0.4
312.83255	0.3
323.11008	0.4
327.10794	1.0
345.11847	1.1
365.12378	8.3
366.12845	0.4
387.12958	9.0
388.13419	0.7
455.13470	1.0
473.14520	73.9
474.14853	6.5
497.14337	0.6
515.15588	20.9
516.15857	1.4
531.18689	8.8
553.15741	1.0
557.16681	1.7
635.19812	0.3
779.23816	1.6
803.24280	1.0
805.57416	0.4
821.25146	25.1
822.25336	3.5
863.26123	66.4
864.26440	9.0
1026.42651	0.4
1167.33008	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	1167.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03486	0.3
83.01384	1.8
84.02170	0.1
85.02953	8.3
87.00865	0.8
88.49580	0.1
89.02445	3.7
89.03876	0.1
91.05553	0.4
93.03469	0.6
95.01379	1.4
95.05013	0.3
97.02950	1.4
99.00886	4.0
99.04498	0.2
101.02447	9.2
102.02752	0.1
108.02205	0.1
109.02952	0.3
110.14873	0.1
111.00872	0.2
113.02454	10.7
114.02805	0.2
115.05540	78.4
116.05875	2.1
116.92891	0.4
117.03468	2.4
117.07107	14.1
118.03833	0.1
118.07444	0.5
119.02673	0.1
119.03507	1.8
119.05023	0.1
121.02946	0.3
123.04528	5.0
123.53020	0.1
124.04857	0.1
125.02445	1.9
127.03996	0.1
129.01997	0.2
131.03488	0.6
131.05037	0.1
133.06570	0.3
135.04495	0.1
137.02441	0.5
143.02411	0.2
143.03508	3.9
143.05022	7.7
144.05377	0.4
145.02969	0.1
149.02422	0.2
149.04550	0.5
150.03171	0.3
151.03889	0.1
155.03554	0.6
159.02942	0.3
161.04585	6.5
161.06081	27.9
162.06378	0.8
163.04015	0.1
175.03951	0.1
179.05621	0.8
187.04002	100.0
188.04349	4.0
195.06436	0.1
203.05606	1.1
205.05078	3.0
221.06615	0.7
221.09721	0.3
223.11282	0.1
229.05083	0.2
245.06636	0.3
263.07648	0.2
284.03192	0.1
285.04019	0.2
285.09824	0.3
305.08798	0.3
312.21790	0.1
323.09772	16.0
324.10098	0.8
339.12244	0.1
345.11877	0.7
365.10828	0.9
427.12466	0.2
429.14066	0.2
447.15067	10.4
448.15402	0.7
455.13452	0.8
469.13593	1.6
473.14508	24.1
474.14880	1.7
485.16476	0.2
489.16470	1.1
515.15558	4.2
516.15826	0.4
591.20435	0.2
617.18579	0.7
635.19775	49.0
636.20160	4.9
667.36890	0.1
677.20856	8.5
678.21210	1.3
695.21899	1.9
696.22473	0.2
719.21954	0.2
720.21674	0.1
737.22986	16.5
738.23224	1.9
839.11298	0.1
839.25140	0.6
857.27136	2.9
858.27283	0.4
899.28253	43.8
900.28534	6.9
903.29303	0.8
945.30176	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1167.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	3.3
85.02953	14.3
86.00115	0.5
86.03320	0.3
87.00879	2.4
87.04514	0.8
89.02451	1.9
95.01380	2.2
97.02940	1.6
98.20748	0.3
99.00883	4.8
99.04517	0.2
101.02446	20.1
102.02781	0.2
103.04018	1.3
107.05059	0.5
109.02961	0.4
111.00883	0.5
112.01694	1.0
113.02451	12.5
114.02808	0.2
115.03987	0.8
119.03548	0.5
119.05071	0.2
121.02963	0.4
125.02452	2.3
127.04034	0.5
129.01962	0.6
131.03514	1.2
143.03499	4.6
145.02953	0.2
145.05080	0.6
147.04494	0.2
159.02995	3.2
161.04558	18.1
162.04878	0.3
163.04005	0.2
163.06102	1.1
163.64235	0.1
175.04008	0.6
188.04691	0.2
190.06425	0.3
203.07146	1.5
205.03746	0.4
205.07179	1.4
205.08736	0.4
221.06067	0.2
222.05228	0.2
223.07762	0.2
229.40913	0.3
237.17905	0.1
251.07008	0.3
251.09273	2.0
253.08842	0.3
255.02959	0.3
261.05542	0.2
263.07141	0.5
267.06686	0.4
268.07071	0.2
269.10318	22.5
270.10693	1.1
279.06589	0.6
280.07657	0.2
281.08194	2.1
281.11032	0.3
283.09763	0.3
293.08005	0.3
294.09033	0.5
296.07083	0.2
296.10507	0.5
297.07721	2.8
297.11008	0.3
303.05508	0.2
307.09961	0.2
308.10587	0.4
309.07773	5.4
309.11276	1.1
311.11395	4.9
312.09872	2.1
323.09241	0.9
323.12762	0.4
324.10016	5.8
325.10431	0.4
326.11624	0.2
327.12357	7.0
328.12836	0.5
339.12354	17.8
340.12909	1.0
341.13876	0.4
345.93866	0.2
357.13486	0.6
379.14188	0.5
397.15063	1.3
415.16086	69.1
416.16422	3.9
431.09610	0.2
457.17139	100.0
458.17499	6.8
635.23010	0.8
647.23401	4.1
648.23712	0.5
665.24487	4.7
666.24805	0.5
679.16180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.372
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01382	0.3
85.02954	3.0
87.00883	0.3
88.98815	0.2
89.02452	1.0
91.05541	0.8
93.03448	0.5
95.01399	1.1
98.50811	0.2
99.00844	0.3
101.02444	3.9
108.02145	0.2
109.02922	0.2
113.01705	0.4
113.02455	5.7
115.05538	72.6
116.05882	2.4
117.03464	2.1
117.07108	11.4
118.07426	0.2
119.03500	0.9
121.02984	0.4
123.00905	0.5
123.04527	3.2
125.02425	0.2
131.03487	0.6
133.06596	0.5
134.03786	0.4
137.02444	0.2
138.03249	0.2
139.00378	0.2
143.03496	0.6
143.05032	7.0
144.05350	0.3
145.02821	0.2
149.02420	0.3
149.04526	0.5
150.03207	0.3
160.01668	1.1
161.04622	2.0
161.06070	26.7
162.06461	1.0
163.03941	0.6
165.05566	0.3
175.04001	1.8
179.05548	0.4
187.04002	100.0
188.04330	3.7
190.02710	0.8
193.05130	0.3
205.05057	5.8
209.33989	0.2
219.83437	0.2
221.06650	0.9
221.09731	0.5
223.11272	0.3
235.66554	0.2
241.04980	0.3
244.81235	0.2
249.09189	0.3
256.07404	0.6
257.07822	0.3
267.10306	0.3
271.09763	0.5
272.10187	0.2
274.99991	0.2
323.11249	0.4
337.09183	0.3
367.10312	0.6
427.12479	2.4
458.56445	0.2
473.14502	61.9
474.14856	4.9
477.14008	0.8
491.15512	0.9
515.15631	3.5
516.16052	0.3
555.92133	0.2
579.20801	0.5
580.21155	0.3
581.21350	0.4
624.74493	0.2
635.20673	0.4
638.30499	0.2
639.19415	1.8
640.19409	0.2
653.20929	0.7
679.20074	0.5
695.21881	82.5
696.22253	9.2
707.18115	0.7
731.96271	0.2
741.24683	0.3
901.27765	0.3
947.29706	0.3
1105.58081	0.2
1106.57007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01366	0.8
85.02953	4.3
87.00896	0.4
88.98779	0.1
89.02450	1.3
89.99294	0.1
90.96014	0.1
91.05534	1.2
93.03485	0.4
95.01389	1.7
95.33366	0.1
97.02972	0.2
98.20702	0.3
101.02445	6.7
108.02167	0.2
113.02454	9.5
115.05538	65.5
116.05872	1.9
117.03461	2.2
117.07104	13.9
117.07970	0.4
118.07453	0.5
119.03532	1.1
119.70129	0.1
121.02985	0.4
123.00886	0.2
123.04514	2.4
125.02394	0.3
131.03502	0.8
131.94391	0.2
133.06577	1.0
135.04514	0.2
140.69391	0.2
143.03435	1.1
143.05029	7.3
144.05241	0.2
145.02939	0.2
147.02977	0.3
149.02432	0.4
149.04549	2.7
150.03242	0.3
160.01660	0.3
161.04599	4.5
161.06059	33.6
162.06383	1.1
163.03992	2.0
175.04001	0.4
179.05617	0.4
187.03999	100.0
188.04330	3.8
203.05682	0.2
205.05043	6.9
206.05374	0.3
221.06642	3.2
221.09766	0.4
221.72229	0.2
223.06123	0.5
223.11168	0.3
257.07892	0.1
285.09854	0.2
311.43628	0.1
323.11484	0.2
345.11752	0.2
367.10333	0.2
409.11432	0.4
427.12476	2.3
447.15161	0.3
455.13287	0.4
461.24268	0.1
473.14493	92.7
474.14853	7.7
477.14050	0.5
491.15723	0.4
515.15570	6.2
516.16083	0.5
635.20105	0.4
653.20990	1.4
654.21332	0.2
695.21875	44.1
696.22241	5.4
741.24603	0.7
914.37683	0.2
1105.57507	0.5
1106.57361	0.9
1107.59387	0.2
1168.55908	0.2
1169.36133	0.9
1170.60120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1169.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03465	0.1
83.01395	0.5
85.02953	3.0
87.00882	0.2
89.02447	0.9
91.05534	1.3
93.03480	0.3
95.01380	1.4
95.05032	0.1
97.02949	0.2
98.10435	0.1
98.20609	0.2
99.00904	0.1
101.01881	0.1
101.02445	3.5
113.02454	5.6
114.02739	0.2
115.05539	70.4
116.05878	2.0
117.03472	2.0
117.07105	11.4
118.07439	0.3
119.03526	0.6
119.04979	0.1
121.02903	0.2
123.04527	3.0
124.04874	0.1
125.02454	0.2
131.03468	0.4
131.05032	0.1
133.06612	0.5
143.03392	0.4
143.05029	7.1
144.05353	0.2
145.06616	0.1
149.04527	0.6
155.03580	0.1
161.04616	1.8
161.06070	27.3
162.06421	1.0
163.04010	0.6
179.05585	0.3
187.03999	100.0
188.04332	3.3
203.05580	0.1
205.05058	5.1
206.05458	0.2
221.06622	1.2
221.09715	0.4
223.11246	0.2
249.09108	0.2
267.10202	0.1
285.09775	0.1
323.11362	0.7
345.12067	0.1
367.10287	0.3
409.11389	0.1
427.12439	2.4
428.13046	0.1
455.13318	0.2
473.14490	63.2
474.14850	5.0
474.21844	0.1
490.27823	0.1
515.15497	3.0
516.15955	0.3
529.16040	0.1
635.20129	0.2
653.20880	0.9
654.21094	0.1
695.21851	89.8
696.22229	9.7
696.34650	0.2
741.23877	0.2
963.30994	0.2
1065.17517	0.1
1111.34778	0.1
1169.36768	0.2
1175.33032	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	1169.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01392	0.5
85.02952	2.9
87.00867	0.3
88.98813	0.2
89.02454	1.2
91.05527	0.9
93.03469	0.4
95.01373	1.1
99.00891	0.3
101.02447	3.6
113.02450	6.5
115.05538	73.9
116.05888	2.6
117.03469	2.3
117.07108	11.1
118.07404	0.3
119.03535	0.7
119.05043	0.2
121.02968	0.5
123.00825	0.2
123.03653	0.1
123.04526	3.3
125.02437	0.4
131.03482	0.5
133.06583	0.6
133.49748	0.2
143.03516	0.5
143.05029	7.5
144.05357	0.3
145.02924	0.3
149.02428	0.4
149.04483	0.8
150.03206	0.2
160.01619	0.2
161.04605	2.4
161.06068	28.0
162.05255	0.1
162.06381	1.0
163.03981	0.6
164.04703	0.2
165.01921	0.2
165.05568	0.2
175.03992	0.4
177.05597	0.1
179.05594	0.3
181.05035	0.2
187.04001	100.0
188.04337	4.1
190.02676	0.5
205.05058	6.6
206.05367	0.3
221.06598	1.0
221.09732	0.3
223.06049	0.3
223.11229	0.2
249.09273	0.2
256.07285	0.2
267.10321	0.2
285.09796	0.2
323.11346	0.6
367.10352	0.5
387.94464	0.1
427.12454	2.6
428.12985	0.2
455.12659	0.3
461.23654	0.8
473.14499	71.2
474.14886	6.5
477.14554	0.2
491.15857	0.8
503.25037	0.9
515.15527	3.8
516.15674	0.4
593.16498	0.2
635.20972	0.3
639.19171	0.3
653.20789	0.8
677.02289	0.1
679.20685	1.1
695.21869	82.8
696.22247	11.6
741.23706	0.3
947.30188	0.4
1119.72339	0.2
1169.36609	0.3
1170.40222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
53.19180	0.5
55.01884	0.5
57.81754	0.4
59.01370	1.4
59.70545	0.4
70.67895	0.9
70.68254	0.6
71.01374	1.0
73.02946	100.0
73.62607	0.4
74.03290	2.8
99.00883	7.8
99.92587	2.2
100.01260	0.5
109.27710	0.4
116.92881	4.0
117.01088	0.6
117.01939	12.0
118.02274	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
69.83833	0.4
69.84117	2.4
71.01383	0.6
73.02948	100.0
74.03277	3.0
83.14394	0.4
84.53011	0.5
98.20587	0.4
99.00881	9.0
99.92576	2.4
116.92859	5.9
117.01945	11.4
117.92859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1171.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01416	1.0
85.02956	4.7
89.02447	1.7
95.01379	1.6
96.96007	6.5
97.02941	0.5
98.95595	1.0
101.02441	8.7
113.02450	13.8
115.05537	49.7
116.05888	2.2
117.03471	1.7
117.07117	6.2
119.03499	2.4
123.04526	1.8
125.02388	0.8
131.03482	1.6
133.06563	0.5
141.09268	0.4
143.03522	3.3
143.05017	4.3
147.03334	0.8
147.04524	14.6
148.04872	0.6
149.04558	3.2
161.04568	6.6
161.06076	20.2
162.06447	0.7
163.03987	0.9
179.05717	0.4
187.04001	100.0
188.04358	4.9
191.71408	0.4
203.05693	0.5
205.05121	2.4
221.06677	3.8
229.83598	0.5
290.54837	0.5
427.12537	1.4
455.13464	10.2
456.13922	0.8
469.13699	0.5
473.14511	29.9
474.14670	2.8
475.15656	0.6
495.16391	0.8
497.14557	13.2
498.14929	1.6
515.15613	15.4
516.16077	1.9
557.16528	0.8
585.17664	0.5
603.18707	27.7
604.19037	3.2
645.19757	17.0
646.20123	1.4
677.20953	1.5
695.21851	6.1
696.22296	0.5
719.21979	7.6
720.22644	1.1
737.22778	7.3
738.23584	0.8
783.26172	0.4
807.25629	0.8
825.26129	7.3
826.26605	1.4
867.27136	35.6
868.27380	6.0
977.89508	0.5
1135.33997	0.6
1171.35034	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	1173.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02959	0.5
87.00882	2.0
93.03458	9.0
95.01391	0.5
107.01340	0.4
117.03489	0.7
119.05035	0.8
121.02921	0.7
123.04524	1.3
124.01655	1.5
125.02486	1.4
131.03494	0.6
132.02161	2.3
133.02930	1.5
137.02464	1.6
141.03375	0.4
143.05028	1.1
145.03020	0.6
147.04607	0.4
149.02478	0.4
149.99573	0.9
151.00334	2.1
151.04005	0.5
155.05008	1.2
158.03758	0.6
159.04523	0.5
161.02423	0.5
163.00285	0.5
164.01152	1.7
165.01944	0.7
167.05028	1.1
169.02879	0.6
171.04472	0.8
174.03130	1.1
175.02522	0.4
175.04002	0.9
176.67953	0.4
181.06610	0.5
183.04514	2.2
184.05258	0.4
185.02478	1.2
185.06104	1.0
186.03130	0.6
187.04025	1.9
189.01909	0.8
190.02644	0.4
195.04517	1.3
197.02548	0.7
197.06084	0.5
198.03163	1.1
199.03983	4.6
201.01942	1.2
202.02553	0.5
209.02405	0.6
209.06044	1.3
211.03981	3.6
213.01917	1.3
213.05458	0.6
214.02762	2.7
215.03468	0.7
221.05861	0.6
222.06927	0.4
223.03963	5.0
224.04701	0.6
225.01996	3.0
225.05545	1.1
226.02710	1.7
227.03511	18.0
228.03995	2.0
229.01352	0.4
229.05064	0.7
230.02184	0.7
231.02953	1.6
233.05969	0.9
235.04094	0.6
237.01935	1.8
238.02742	1.0
239.03551	3.3
240.04272	1.6
241.01404	1.6
241.05055	1.2
242.02179	1.5
243.02997	13.3
244.03365	0.6
247.07683	1.0
249.01772	0.7
249.05640	0.9
251.03416	2.1
251.07179	0.6
252.04234	1.7
253.01370	1.9
253.05054	13.2
254.02202	2.5
254.05513	0.6
255.02983	56.2
256.03510	5.6
257.04501	0.5
259.07706	0.6
261.05478	0.8
262.06342	0.4
263.03452	0.6
263.07056	0.8
264.04324	0.4
265.04996	2.0
266.02176	0.9
266.05618	0.5
267.02991	19.7
267.06406	1.3
268.03589	1.5
269.00906	5.5
269.04474	2.0
270.01617	1.5
271.02499	0.9
271.06027	0.8
275.07111	1.4
277.05093	1.4
278.05847	1.5
279.02994	3.0
279.06476	1.2
280.00195	0.4
280.03302	0.8
281.00937	6.4
281.04269	0.9
282.01633	2.3
283.02487	7.7
284.03250	28.5
285.03922	8.6
287.07043	1.2
289.05087	1.6
290.05722	0.9
291.03381	0.5
291.06601	2.4
292.03635	0.6
293.00940	6.1
293.04568	3.4
294.01837	3.3
294.04825	0.7
295.02502	14.8
295.06039	1.2
296.03027	2.0
297.00684	0.7
297.04117	1.5
298.01263	4.3
299.01913	2.5
299.07092	0.6
300.02673	0.5
301.05246	0.8
303.06693	1.7
304.07266	0.7
305.04578	1.6
305.08069	0.6
306.01743	0.7
306.05212	1.4
307.02524	7.5
307.06012	1.6
308.03079	1.0
309.00433	0.8
311.02005	4.3
312.02704	1.1
314.05737	0.8
315.06735	2.1
316.07275	0.5
317.04514	3.2
317.08282	1.7
318.05130	0.6
319.06088	2.3
320.06729	1.0
322.04874	0.4
324.02686	1.1
325.03577	0.9
329.04578	0.9
329.08359	0.9
330.05145	0.9
331.06085	2.8
332.03174	0.5
332.06876	1.0
333.04016	1.2
333.07614	1.0
334.04370	0.4
335.05536	1.8
337.07104	0.7
341.04477	0.6
341.08157	0.5
343.06174	2.5
345.04065	1.0
345.07785	0.6
346.04724	0.5
347.05542	3.1
348.06213	1.9
349.07001	0.6
355.06091	0.9
357.03860	0.8
358.04727	0.9
359.05566	8.0
360.06384	4.6
361.07153	39.1
362.07544	2.7
363.05325	0.5
371.05487	1.3
372.06134	0.6
373.07239	1.5
374.04047	0.7
375.05075	4.9
376.05823	4.9
377.06845	1.0
379.09448	0.6
383.05447	1.4
384.06293	0.7
385.03278	1.1
385.07458	0.6
386.03995	0.7
387.05106	10.4
388.05823	1.6
389.06757	2.3
395.09384	0.7
399.05032	1.3
400.05829	2.3
401.06693	5.0
402.03375	2.5
403.04538	14.2
404.05298	10.1
405.06122	3.8
412.05698	0.7
413.06552	0.9
415.04553	7.5
416.04980	0.7
417.06085	1.4
423.08463	0.8
427.03629	1.8
428.04404	0.5
429.09259	0.5
431.03998	5.7
432.04861	12.1
433.05334	1.8
433.11453	2.5
440.09058	0.8
445.05707	10.9
446.06152	1.4
451.07962	0.8
452.09134	1.3
454.06583	0.9
455.07523	0.7
465.09976	0.9
466.10455	0.6
470.10080	1.3
471.10583	0.7
493.09433	0.6
494.10178	4.7
495.10684	1.5
520.08118	2.6
521.08545	3.1
537.08606	0.6
538.09052	6.1
539.09534	3.9
739.20892	26.7
740.21008	2.7
755.20190	1.2
767.20087	1.4
779.20496	0.6
807.24371	0.4
857.21661	3.1
868.23853	0.5
870.71808	0.5
873.24713	6.0
874.25061	0.8
875.22528	11.8
876.23126	2.0
885.24677	1.7
949.27734	3.0
950.27484	0.6
975.25031	3.6
993.26678	100.0
994.27142	16.8
994.47559	0.7
1173.32996	86.4
1174.33362	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	1173.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03445	0.2
83.01390	0.9
93.03449	1.4
95.01405	0.4
97.02962	0.8
97.54544	0.2
107.01384	2.1
109.02923	0.2
113.02354	0.2
117.03487	0.4
119.05027	7.5
120.05363	0.3
121.02974	0.9
123.00909	0.4
123.04547	0.5
125.02448	2.5
132.02177	0.5
133.02957	0.2
135.00879	0.9
136.01718	0.2
137.02390	0.9
143.05032	1.0
145.02963	0.6
147.04533	0.2
149.02455	1.2
151.00381	4.6
152.01137	0.3
155.03450	0.2
159.04498	0.2
161.02428	0.2
161.06105	0.4
163.00369	2.0
163.04015	0.4
164.01155	0.7
165.01927	2.0
167.03488	0.7
171.04491	0.2
177.01907	0.4
178.99908	1.0
179.03491	0.3
183.04504	0.7
185.02417	0.3
185.06047	0.7
187.03941	0.9
189.01942	0.2
190.99826	0.3
191.03493	0.5
193.01413	5.2
199.03963	0.4
199.07690	0.2
200.04662	0.4
205.01472	0.3
207.03046	0.2
211.03981	1.4
219.02980	0.6
223.02444	0.7
225.09184	0.2
227.03488	23.8
228.03905	1.1
229.05008	1.0
239.03516	0.4
241.08698	0.2
243.03018	0.6
245.08153	0.3
253.05084	0.6
255.02977	45.2
256.03595	4.1
257.04544	1.2
265.04971	0.2
267.02924	0.3
269.04599	0.2
269.08212	0.3
271.06134	2.2
283.02539	1.2
283.06128	0.6
284.03256	66.1
285.03900	11.7
285.13135	0.2
286.04395	0.4
293.04584	0.5
309.04169	0.5
313.07159	14.1
314.07571	0.9
325.07108	0.4
326.04187	0.3
327.05136	0.7
343.08215	4.0
361.07156	0.4
387.05060	0.2
433.11325	9.6
434.11810	0.7
575.14148	0.7
579.16290	0.3
593.15363	0.6
729.16589	0.3
739.20905	100.0
740.21155	11.5
847.20868	1.4
848.21997	0.2
1173.31689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01381	1.7
85.02963	1.5
93.03452	0.3
95.01392	0.5
97.02947	0.8
98.20659	0.4
99.00882	0.4
101.02451	4.3
113.02448	3.0
115.05539	70.7
116.05888	1.8
117.03456	2.2
117.07104	8.2
119.05037	0.3
121.02962	0.3
123.04520	2.7
125.02466	2.8
131.03461	0.3
131.05029	0.2
133.06612	0.2
143.03505	2.8
143.05023	7.1
144.05333	0.4
147.04526	10.2
148.04866	0.4
149.02434	0.2
149.04620	0.2
155.03511	0.3
161.06081	20.7
162.06404	0.6
163.03951	0.2
163.78461	0.3
166.83899	0.2
185.04646	0.4
187.04002	100.0
188.04333	3.8
189.05646	0.2
203.05606	2.6
205.05081	2.0
206.05402	0.3
221.09601	0.3
229.51031	0.2
263.07813	0.2
365.12399	0.3
437.12375	0.3
453.15353	0.6
455.13489	5.7
456.13556	0.6
469.13577	0.3
473.14532	9.9
474.14862	0.7
475.15927	0.7
497.14557	5.2
498.14987	0.5
515.15588	10.9
516.15778	1.0
529.30304	0.2
557.16577	1.1
585.17731	0.9
603.18738	24.2
604.18884	2.6
619.21265	0.3
645.19788	10.5
646.20087	1.1
687.20575	0.5
719.22406	0.3
737.22729	0.7
761.22894	0.7
779.24152	3.2
780.24078	0.4
867.26978	1.8
909.28119	5.2
910.28284	1.0
1028.58130	0.2
1054.68811	0.3
1061.02710	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	1.6
83.99243	0.1
85.02952	5.0
87.00887	0.2
89.02447	0.3
91.05515	0.2
92.92551	0.1
93.03468	0.2
95.01385	0.8
97.02961	0.9
99.00877	0.3
99.04501	0.3
101.02444	5.1
108.02166	0.1
113.02451	6.2
114.02776	0.1
115.05537	67.3
116.05870	1.9
117.03468	2.1
117.07102	7.5
118.07414	0.2
119.03518	0.4
119.05030	0.4
121.02970	0.2
123.04517	1.9
125.02436	2.1
131.03497	0.5
131.05066	0.2
133.06606	0.1
143.03491	7.4
143.05009	6.1
143.05887	0.2
144.03806	0.1
144.05379	0.2
145.06641	0.1
147.04520	14.0
148.04802	0.4
149.02464	0.2
149.04535	0.5
155.03487	0.8
156.05827	0.1
161.06068	21.1
162.06424	0.9
163.03946	0.1
185.04547	0.2
187.03996	100.0
188.04330	3.8
189.05530	0.3
203.05598	2.8
205.05070	1.8
221.06636	0.2
221.09734	0.2
223.11238	0.1
247.11345	0.2
263.07623	0.4
327.10806	0.1
365.12320	0.8
374.92700	0.1
385.09781	0.1
387.13141	0.5
437.12183	0.2
453.15436	0.1
455.13443	5.8
456.13745	0.4
469.13635	0.6
473.14493	8.2
474.14899	0.8
475.16095	0.2
495.16565	0.4
496.16602	0.1
497.14542	6.6
498.14774	0.6
515.15552	12.4
516.15985	1.2
517.17133	0.4
531.18634	0.3
539.15149	0.2
557.16602	2.1
558.16785	0.2
585.17603	0.9
599.17932	0.2
601.21027	0.2
603.18695	20.3
604.19006	2.7
645.19727	11.8
646.20190	1.7
661.22821	0.1
677.20691	0.1
687.20636	0.7
719.21948	0.6
737.23022	0.9
761.22980	0.9
762.22571	0.2
779.23950	3.0
779.38135	0.2
780.24164	0.6
807.25128	0.1
825.25922	0.1
867.27228	2.2
868.26953	0.4
898.60443	0.1
909.28107	5.5
910.28571	1.0
1042.62952	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	1177.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
81.91888	0.1
83.01384	1.4
85.02952	5.3
87.00883	0.2
89.02444	0.6
93.03452	0.2
95.01389	1.6
97.02952	0.7
99.00914	0.2
99.04493	0.2
101.02448	6.0
113.02454	8.5
115.05540	66.5
116.05876	1.9
117.03470	2.0
117.07109	6.9
118.07374	0.1
119.03498	0.9
119.05071	0.3
121.02917	0.2
123.04530	1.6
125.02433	1.6
131.03456	0.8
142.57918	0.1
143.02408	0.3
143.03502	3.9
143.05019	6.6
144.05324	0.3
145.06572	0.2
147.04527	11.5
148.04852	0.4
149.04510	1.0
155.03516	0.5
161.04602	2.1
161.06067	20.1
162.06424	0.7
163.04005	0.2
166.02693	0.2
179.05623	0.2
181.05063	0.3
185.04527	0.2
187.04004	100.0
188.04338	3.7
189.05580	0.3
203.05609	1.7
205.05081	1.6
210.28885	0.1
221.06683	0.7
221.09674	0.3
223.11342	0.1
247.11253	0.2
263.07773	0.2
365.12402	0.3
387.13379	0.1
409.11197	0.1
417.15485	0.4
437.12299	0.3
453.15448	0.3
455.13440	5.0
456.13586	0.2
469.13281	0.2
473.14514	5.4
473.21213	0.3
474.14908	0.4
475.16318	0.3
495.16360	0.3
497.14572	7.1
498.14963	0.5
515.15588	16.8
516.15924	1.6
517.16949	0.2
529.30267	1.0
539.15613	0.4
557.16638	6.1
558.17065	0.6
585.17694	1.8
586.17688	0.3
597.29120	0.4
599.17761	0.3
603.18726	10.9
604.19006	1.3
627.18884	0.3
645.19751	15.6
646.20105	1.9
647.19653	0.1
677.20197	0.2
687.20868	2.4
688.20801	0.3
719.22009	0.6
737.23297	0.9
761.22418	0.4
779.24213	1.7
780.24493	0.2
809.86182	0.1
825.26172	0.3
849.26276	0.2
867.27185	2.6
868.26947	0.4
909.28461	3.1
910.28186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1179.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
85.26861	0.1
87.00857	0.2
88.00406	0.2
88.98808	100.0
89.77987	0.1
89.99125	0.9
115.05540	2.1
116.05809	0.2
117.07118	0.3
123.04555	0.3
143.05019	0.2
153.05531	0.4
154.05867	0.2
161.06073	1.1
187.04015	3.0
188.04317	0.4
229.58815	0.2
323.11420	0.3
440.16827	0.2
473.14468	1.8
474.14941	0.5
515.15912	0.2
704.25226	0.4
705.25323	0.4
778.55402	0.2
821.25000	1.6
822.25665	0.5
823.26160	0.2
1171.21216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1181.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01406	0.4
86.21719	0.1
89.02474	0.1
91.01907	0.2
93.03455	0.9
95.01373	0.2
102.88226	0.1
106.77100	0.1
107.01384	1.2
108.02180	0.2
109.02958	0.3
113.02438	0.2
117.03465	0.9
119.01426	0.2
119.05031	0.1
121.03000	0.2
121.06645	0.1
123.04507	0.1
125.02444	0.3
132.02206	0.3
133.02930	0.2
135.00897	0.8
137.02434	0.3
143.05019	0.4
145.02957	0.5
145.06567	0.1
147.04533	0.2
149.02390	0.1
150.03194	0.2
151.00375	2.6
151.03998	0.1
153.01949	0.4
154.04266	0.2
155.04976	0.2
157.06601	0.2
159.04518	0.9
161.02409	0.3
163.00369	1.4
163.03873	0.1
164.01117	0.4
165.01889	0.4
167.04997	0.4
169.01385	0.3
169.02792	0.1
169.06619	0.7
171.04500	0.7
173.02458	0.2
173.06039	0.3
174.03201	0.3
175.04024	0.5
178.99821	0.3
182.03714	0.4
183.04523	1.5
184.05257	0.1
185.02409	0.3
185.06078	1.4
187.03989	1.6
189.05537	0.6
193.01448	0.1
195.04500	0.4
196.05316	0.2
197.02327	0.1
197.06050	0.5
198.03304	0.2
199.03946	0.6
200.04663	0.1
201.05504	0.4
210.03136	0.1
211.03986	2.0
212.04558	0.2
213.05534	1.1
214.02681	0.3
215.03487	0.4
217.05067	0.2
223.04015	0.1
224.04727	0.2
225.05527	0.1
226.02708	0.2
227.03485	21.8
228.03900	1.2
229.05048	5.6
230.05309	0.3
237.05432	0.1
239.03497	1.2
240.04254	0.6
241.05031	0.9
243.02965	0.3
252.04128	0.1
253.04976	0.2
255.02974	44.9
256.03571	4.3
257.04541	3.6
258.05066	0.3
267.02847	0.6
269.04520	0.4
281.04526	0.3
281.08078	0.3
283.02481	15.3
284.03247	42.8
285.04016	69.0
286.04395	3.7
297.03912	0.6
298.04703	0.2
299.05661	0.4
309.04208	0.2
309.07690	0.9
312.09879	0.2
321.71005	0.1
323.09207	0.2
324.09952	0.6
326.04297	0.3
327.05072	2.5
327.12326	0.2
339.12277	0.4
357.06149	0.1
386.02814	0.1
446.08572	0.2
447.09109	0.3
488.09625	0.9
489.10632	1.4
490.10898	0.1
515.08362	0.1
593.15076	100.0
594.15436	9.7
617.14569	0.1
635.16180	1.2
636.16333	0.1
661.13995	2.6
662.14075	0.2
755.20294	2.1
756.21039	0.2
779.19989	0.1
797.21399	15.8
798.21857	2.0
823.19452	2.3
823.35144	0.2
824.19543	0.3
1181.34692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1186.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02945	2.7
89.02435	1.4
101.02431	4.5
111.00966	0.8
113.02443	3.2
115.05522	4.2
116.92879	0.9
117.07084	1.1
119.03500	1.1
125.02447	0.9
136.01666	1.1
150.03264	1.5
151.04001	1.3
161.02458	0.7
161.04591	1.9
161.06094	3.1
163.04034	1.9
165.05563	0.9
187.04027	4.6
190.34105	0.7
205.05086	1.5
213.05618	0.9
241.05014	2.9
255.06703	1.0
256.07315	4.1
257.07794	1.4
271.09698	3.9
272.09857	0.9
309.75839	0.7
342.54736	0.9
344.12137	0.7
382.66708	0.7
433.15012	1.3
435.96710	0.8
463.08206	0.8
473.14334	2.1
579.20795	2.7
580.21100	2.8
581.28687	1.0
599.29120	3.5
667.28650	1.3
863.31140	0.9
961.53113	1.9
1043.74146	0.9
1123.59021	100.0
1124.59290	20.2
1184.41064	0.9
1186.58728	45.8
1187.59644	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	1189.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.7
85.02961	3.5
89.02454	1.9
91.05531	2.4
95.01381	0.9
97.02953	1.1
99.00890	0.5
101.02447	2.6
106.26882	0.7
113.02474	5.4
115.05542	74.4
116.05856	2.3
117.03445	3.1
117.07113	19.8
117.07979	0.7
119.03488	1.2
123.04523	4.9
125.02449	5.3
127.03990	1.1
133.06586	3.7
135.04532	0.6
141.07123	3.3
143.03500	5.0
143.05046	7.6
155.03510	1.8
159.08255	0.9
161.06082	60.4
162.06406	2.1
163.04015	9.2
173.06181	0.6
179.05618	2.7
185.04588	8.2
185.06152	1.5
187.04004	100.0
188.04398	3.9
201.05537	2.9
205.05092	10.1
215.48213	0.7
223.06105	5.4
229.05028	4.5
245.06488	1.2
247.06099	3.5
265.07043	2.2
327.10910	1.1
365.12430	7.3
385.11404	5.3
387.13077	8.4
451.12610	3.6
473.14487	6.4
511.14688	2.8
515.15613	40.7
516.15985	4.3
531.18652	5.4
535.79913	0.6
557.16724	2.8
779.24133	1.9
821.25128	43.4
822.25476	6.6
967.29053	1.9
1027.30676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
55.47100	0.8
65.59348	0.8
69.46439	6.7
93.03468	6.6
104.64018	0.8
118.92686	1.3
119.05029	100.0
120.05376	6.8
128.33556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
52.10146	0.4
67.14723	0.5
70.37492	1.4
70.37836	0.8
81.35389	0.6
82.54523	0.6
91.05539	1.9
91.99162	0.5
93.03473	5.6
98.20461	0.6
101.92414	2.2
113.26669	0.6
117.03450	1.1
117.66290	0.5
118.92662	6.1
119.05029	100.0
120.05385	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	1191.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02972	1.2
97.02973	1.0
98.19921	1.2
113.02418	0.9
115.05537	89.1
116.05869	2.7
117.03458	3.5
117.07108	12.3
119.05041	0.8
121.02990	0.6
121.71125	0.6
123.04527	6.4
125.02437	4.8
134.93222	0.6
143.03465	1.5
143.05057	5.6
150.76968	0.6
161.06081	38.8
162.06421	1.4
163.04034	1.4
167.03526	1.2
176.26080	0.6
187.04002	100.0
188.04353	5.5
205.05003	3.2
227.05605	1.4
281.37979	0.6
285.09897	0.6
287.07846	0.8
295.49225	0.6
305.25537	0.6
350.10559	0.6
365.12454	7.7
387.12866	6.7
473.14523	38.3
474.14951	3.8
497.14700	1.4
515.15570	26.2
516.15894	3.7
531.18665	8.0
553.15167	0.8
557.16595	3.5
591.80481	0.7
650.42017	0.7
779.23724	1.5
821.25000	13.3
822.25983	1.8
863.26135	39.7
864.25946	6.9
1015.25616	0.8
1088.65710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.372
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01397	0.5
85.02946	2.0
87.00861	0.3
91.05532	5.6
93.03455	1.2
97.02956	0.9
101.02435	1.5
113.02452	2.0
115.05539	74.5
116.05871	2.8
116.92851	0.5
117.03466	10.6
117.07100	6.7
118.03844	0.5
118.07385	0.3
119.05026	7.2
120.05359	0.4
123.04522	4.3
125.02440	1.0
129.30101	0.3
131.05016	0.4
131.09509	0.3
133.06622	0.5
135.04517	2.3
141.07047	0.4
142.24471	0.3
143.03477	1.8
143.05034	5.3
145.02954	14.3
145.06584	0.3
146.03300	0.5
149.06090	0.4
157.06578	0.4
159.04512	1.2
161.06079	17.3
162.06436	0.7
163.04005	62.1
164.04330	1.9
169.06593	0.3
170.53055	0.3
185.05991	0.3
187.03999	100.0
188.04324	4.7
201.05688	0.3
203.03477	0.4
203.05432	0.4
205.05060	3.1
227.07205	0.4
229.05064	0.8
251.73752	0.3
271.05844	0.3
289.07150	1.1
307.08148	1.3
323.11374	1.0
345.11826	0.5
349.09186	1.0
367.10138	0.3
372.93265	0.3
391.10492	0.6
402.43790	0.3
409.11292	0.3
431.13519	3.7
455.13370	4.0
455.73053	0.3
469.13876	0.4
473.14490	24.2
474.14920	2.6
491.15170	1.9
497.14801	1.7
513.93671	0.3
515.15558	18.3
516.15741	2.0
517.16095	0.3
557.16705	1.7
575.19373	2.8
591.18512	0.5
617.20081	2.6
618.20007	0.4
619.18158	4.5
620.18970	0.4
633.19586	0.5
657.20795	0.3
661.19281	3.6
662.19519	0.5
669.92902	0.3
679.20453	0.8
695.21533	0.6
719.21692	1.4
737.22845	5.1
738.23083	1.0
761.24304	0.5
779.24188	3.1
780.24585	0.4
823.27307	0.4
883.27203	1.8
884.27783	0.4
887.27960	1.9
897.28796	0.4
925.27838	5.7
926.28088	1.1
929.28156	2.1
1193.37964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.3722
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01376	0.5
85.02952	1.4
91.05531	7.6
92.65932	0.2
93.03468	0.6
95.01393	0.4
97.02944	0.3
101.02460	1.1
113.02448	2.1
115.05539	70.4
116.05891	2.2
117.03467	5.7
117.07107	8.7
118.07451	0.3
119.05022	0.4
121.02979	0.2
123.04530	3.6
125.02425	0.6
131.05046	0.7
133.06598	1.1
135.04530	2.5
136.04884	0.2
141.07111	0.3
143.03484	1.6
143.05032	5.1
145.02977	0.3
145.06601	0.3
147.04469	0.2
149.06126	0.6
157.06580	0.3
159.04541	1.4
159.08081	0.2
161.06081	19.8
162.06444	0.5
163.04008	67.1
164.04341	1.8
169.06596	0.4
171.04506	0.3
173.06033	0.4
185.05991	0.5
187.03999	100.0
188.04341	3.8
205.05070	3.4
229.05084	0.3
247.06291	0.3
285.09830	0.4
289.07114	0.3
307.08188	0.4
323.11313	0.8
325.09369	0.4
349.09409	0.5
365.12277	0.6
367.10162	0.7
387.12949	0.6
431.13449	0.7
455.13431	2.6
469.13589	0.3
473.14536	25.7
474.14957	1.9
491.15594	4.1
492.15881	0.4
497.14496	1.5
515.15552	10.5
516.15997	1.1
531.17987	0.4
539.84503	0.3
557.16327	0.9
591.18719	0.7
617.19080	0.6
619.18207	3.0
620.18304	0.3
635.21039	0.8
661.19019	0.9
677.20233	0.4
679.20587	1.2
719.21729	1.4
737.23016	5.7
738.23218	0.6
741.01190	0.3
761.22711	1.1
779.24292	3.4
780.23218	0.3
841.25391	0.3
855.26208	0.5
865.25250	0.3
883.26715	2.5
897.28595	0.5
925.27747	10.6
926.29108	1.4
1087.32373	0.5
1193.36694	0.6
1193.60730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01406	0.2
85.02953	1.4
91.05537	14.5
92.05863	0.4
93.03481	0.6
94.60181	0.2
95.01344	0.3
95.05043	0.2
97.02976	0.4
101.02439	0.7
111.48495	0.2
113.02443	1.6
115.05541	67.7
116.05895	1.8
117.03469	5.9
117.07112	6.6
119.05037	0.5
121.02992	0.3
123.04533	4.7
124.04903	0.2
125.02446	0.6
131.05035	0.4
133.06613	0.7
135.04530	2.2
141.07121	0.5
143.03555	1.1
143.05048	5.3
145.06630	0.3
149.06128	0.5
159.04550	1.4
161.06084	15.2
162.06429	0.5
163.04012	56.2
164.04347	2.3
169.06680	0.3
185.06136	0.2
187.04004	100.0
188.04359	3.9
191.90553	0.2
197.06012	0.2
199.07622	0.2
201.05620	0.3
203.05635	0.3
205.05078	2.6
215.07062	0.3
221.09692	0.3
229.05077	0.5
235.25473	0.2
240.63838	0.2
285.09778	0.4
303.62814	0.2
307.08182	0.3
339.75983	0.2
349.09259	0.5
365.12701	0.2
367.10532	0.4
374.20544	0.2
399.45612	0.2
431.13187	0.3
455.13538	2.2
456.13770	0.3
469.13641	0.2
473.14511	13.0
474.14877	1.1
491.15631	5.2
492.15945	0.6
497.14493	2.1
515.15588	20.9
516.15887	1.9
557.16425	1.3
579.79730	0.2
591.18262	0.3
617.19128	0.4
619.18109	0.6
633.19873	0.6
661.19183	2.2
662.19983	0.3
675.20374	0.2
677.20544	0.3
679.20367	1.9
695.22223	0.3
719.22003	1.4
737.23047	6.0
738.22900	0.9
761.22723	0.6
779.23859	2.9
780.24066	0.5
805.23553	0.3
841.25848	0.2
855.27496	0.4
865.25171	0.4
883.26581	3.9
884.27405	0.9
907.26477	0.9
925.27551	6.8
926.28583	1.5
929.28296	0.4
1170.79297	0.3
1193.36609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01403	0.6
85.02947	1.7
87.00863	0.2
91.05533	8.7
93.03460	0.8
95.01378	0.3
97.02944	0.6
99.00940	0.2
101.02438	1.3
105.50623	0.2
113.02428	1.8
115.05539	68.7
116.05879	2.5
117.03461	5.5
117.07111	6.5
119.05019	0.7
121.02976	0.2
123.04536	3.3
125.02407	0.9
131.05038	0.6
133.06601	0.9
135.04510	3.2
141.07108	0.3
143.03506	1.8
143.05029	5.3
145.03021	0.3
145.06609	0.5
149.02417	0.3
149.06094	0.6
150.03278	0.2
157.06642	0.4
159.04512	1.4
159.08105	0.2
161.06078	15.9
162.06413	0.5
163.04008	73.6
164.04361	2.0
169.06532	0.3
171.04480	0.3
173.06026	0.4
177.05528	0.3
185.06100	0.3
187.03999	100.0
188.04352	3.4
199.07605	0.3
203.05563	0.3
205.05060	2.8
215.07256	0.3
217.05017	0.3
221.06839	0.3
227.07133	0.3
229.05019	0.5
241.05136	0.3
255.03062	0.3
284.03192	0.4
285.04001	0.2
289.07159	0.5
307.08179	0.4
321.04291	0.2
323.11380	0.4
331.08267	0.2
349.09283	0.4
365.12653	0.4
367.10294	0.3
387.13177	0.2
409.11487	0.3
431.13489	1.0
455.13477	3.5
456.14044	0.3
469.13721	0.2
473.14517	17.0
474.14886	1.5
491.15579	2.1
497.14499	1.7
498.14899	0.2
511.14706	0.3
515.15564	17.6
516.15894	1.5
557.16785	1.6
575.19055	0.3
591.18658	0.5
593.15686	0.3
601.17639	0.3
617.20270	0.5
619.18121	1.8
633.19781	0.7
635.21069	0.2
661.19397	2.4
662.19904	0.3
677.20599	0.4
679.20331	0.4
695.21283	0.3
719.21808	1.1
737.22919	6.1
738.23163	0.8
761.22858	0.4
779.23920	3.1
780.24646	0.4
855.27258	0.3
865.25494	0.3
883.26770	2.2
884.27271	0.3
897.28339	0.4
907.26874	0.4
925.27679	5.8
926.28357	0.7
929.29950	0.2
1193.39246	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01395	0.4
85.02953	1.4
87.00861	0.1
90.78585	0.1
91.05531	9.5
92.05884	0.2
93.03463	0.6
95.01397	0.2
95.05074	0.1
97.02972	0.4
99.00903	0.1
101.02455	0.9
101.03981	0.2
113.02452	2.0
115.05539	74.0
116.05887	2.1
117.03465	6.2
117.07106	5.8
118.03798	0.2
118.07442	0.1
119.05039	0.6
121.02951	0.3
123.04526	3.1
125.02424	0.8
129.07045	0.1
131.03484	0.1
131.05064	0.5
132.05823	0.1
133.06612	0.7
135.04529	2.5
136.04904	0.2
141.07115	0.4
143.03508	1.7
143.05023	5.7
144.05324	0.2
145.06604	0.3
147.04617	0.1
149.02446	0.1
149.06062	0.5
152.55534	0.1
157.06573	0.4
159.04536	1.1
159.08142	0.1
161.06081	14.7
162.06418	0.5
163.04008	70.9
164.04344	2.0
169.06549	0.3
173.06015	0.3
177.05576	0.2
185.04617	0.1
185.06088	0.3
187.04001	100.0
188.04346	3.9
188.06148	0.1
189.05565	0.2
197.06146	0.1
199.07632	0.2
201.05638	0.2
203.05521	0.4
205.05063	2.7
213.05510	0.1
215.07170	0.3
221.09717	0.3
223.11375	0.1
227.07144	0.2
229.05179	0.5
241.04971	0.2
243.06552	0.1
245.08260	0.1
255.03001	0.1
265.07108	0.1
267.10397	0.2
271.06287	0.2
285.03952	0.3
285.09848	0.2
289.07181	0.4
307.08157	0.2
323.11359	0.6
327.10901	0.1
331.08340	0.1
345.11926	0.3
349.09421	0.5
365.12381	0.2
367.10199	0.2
387.13028	0.1
409.11243	0.3
413.12619	0.1
431.13657	0.7
455.13416	4.2
456.13831	0.4
469.13687	0.2
473.14514	17.6
474.14883	1.2
489.17300	0.2
491.15524	1.8
491.79437	0.1
492.15985	0.3
497.14444	1.6
515.15570	19.3
516.15918	1.7
533.16858	0.2
557.16565	1.1
575.19299	0.2
591.18463	0.5
593.15082	0.2
599.18085	0.2
601.17212	0.4
615.17126	0.2
617.19556	0.6
619.18152	1.6
620.18390	0.2
633.19666	0.5
661.19177	2.9
662.19568	0.3
668.31628	0.1
677.21106	0.2
679.20459	0.7
695.21863	0.3
719.22015	1.4
737.23010	6.0
738.23407	0.7
761.23395	0.4
779.24023	2.9
780.24615	0.3
823.24121	0.1
855.27185	0.3
865.25977	0.4
866.25519	0.2
883.26624	2.4
884.26227	0.5
897.28784	0.3
907.26520	0.4
908.29297	0.1
925.27704	4.6
926.28296	0.9
929.28430	0.2
1055.49792	0.1
1087.32092	0.1
1149.61011	0.1
1151.36548	0.1
1193.37366	0.4
1194.37915	0.1
1220.10535	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	1193.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01386	0.3
85.02950	1.3
89.02399	0.1
89.98000	0.1
90.05303	0.1
91.05531	11.2
92.05872	0.2
93.03449	0.6
95.01403	0.2
95.05046	0.1
97.02955	0.3
99.00883	0.1
101.02454	0.9
101.03987	0.2
108.02137	0.1
111.00891	0.1
113.02449	1.7
115.05539	69.8
116.05875	2.3
117.03466	6.1
117.07108	5.9
118.07384	0.2
119.05071	0.5
121.02949	0.2
123.04526	2.9
123.53968	0.1
125.02432	0.6
131.05043	0.5
133.06596	0.8
135.04521	2.3
141.07112	0.3
143.03494	1.7
143.05016	5.8
144.05373	0.2
145.06552	0.4
149.02412	0.3
149.06102	0.6
155.03481	0.2
156.78926	0.1
157.06587	0.4
159.04524	1.3
159.08177	0.1
161.06078	14.6
162.06381	0.5
163.04008	71.2
164.04350	2.1
169.06584	0.3
171.04495	0.2
171.08124	0.1
173.06061	0.4
175.07634	0.1
177.05623	0.2
183.08076	0.1
185.04619	0.2
185.06079	0.3
187.04001	100.0
188.04341	3.9
189.05598	0.2
197.06116	0.2
199.07640	0.2
201.05534	0.3
203.05577	0.4
203.07230	0.1
205.03110	0.1
205.05040	2.5
215.07172	0.2
217.05037	0.2
221.06451	0.1
221.09729	0.2
223.11266	0.1
227.07130	0.1
229.05125	0.5
241.05115	0.2
255.06575	0.1
259.06171	0.1
267.10272	0.1
271.06168	0.3
285.09811	0.2
289.07169	0.4
307.08142	0.3
323.11011	0.5
327.10876	0.1
331.08096	0.2
345.11981	0.4
349.09274	0.5
367.10037	0.2
387.12766	0.2
409.11475	0.2
413.12723	0.1
431.13449	0.7
455.13458	3.8
456.13757	0.4
469.13388	0.3
473.14505	18.1
474.14777	1.4
489.17691	0.1
491.15555	1.8
492.15823	0.2
497.14508	1.6
498.14716	0.2
515.15576	19.3
516.15863	1.8
557.16656	1.0
575.19171	0.2
591.18408	0.6
593.15173	0.2
601.17194	0.4
617.20166	0.5
619.18079	1.6
620.17682	0.2
633.19629	0.7
661.19202	2.6
661.29517	0.2
662.19568	0.3
677.20923	0.1
679.20508	0.6
695.21527	0.3
719.21942	1.9
720.21930	0.3
737.22986	6.5
738.23352	0.9
761.23700	0.5
779.24091	3.3
780.24115	0.4
816.92822	0.1
841.25726	0.2
855.27368	0.4
865.25391	0.3
883.26721	2.5
884.27277	0.5
897.27954	0.3
907.26501	0.3
925.27643	5.4
926.28027	0.8
929.28870	0.4
1151.35632	0.1
1193.35974	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1193.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01402	0.3
85.02954	1.1
87.00883	0.2
88.98816	0.2
91.05531	8.7
92.05861	0.2
93.03452	0.7
95.01395	0.4
97.02959	0.4
99.00880	0.1
99.04533	0.2
101.02457	0.7
113.02442	1.6
115.05537	72.1
116.05871	2.4
116.06667	0.2
117.03462	4.9
117.07102	7.1
118.07475	0.2
119.05040	0.5
121.02980	0.2
123.04521	3.4
124.04839	0.1
125.02435	0.8
131.05028	0.5
133.06584	1.7
135.04518	3.2
135.05505	0.2
141.07019	0.3
143.03499	1.7
143.05025	6.5
144.05383	0.2
145.06599	0.2
149.02460	0.3
149.06062	0.6
155.03389	0.1
157.06570	0.3
159.04512	0.9
161.06078	18.7
162.06448	0.8
163.04004	82.9
164.04344	2.9
169.06610	0.5
171.04582	0.1
173.06033	0.2
177.05577	0.2
183.08109	0.1
185.04549	0.5
185.06096	0.3
187.03999	100.0
188.04335	3.9
189.05542	0.2
197.06088	0.3
199.03946	0.1
199.07680	0.2
203.05646	0.2
205.05049	3.3
206.05237	0.1
213.05670	0.2
215.07216	0.3
217.05031	0.1
221.09778	0.3
223.11198	0.2
227.07140	0.3
229.05057	0.3
241.05104	0.1
245.08357	0.1
253.18645	0.1
267.10229	0.2
269.08316	0.2
271.06070	0.2
285.09796	0.3
289.07224	0.4
307.08267	0.5
323.11340	1.8
324.11707	0.1
331.08133	0.3
332.08536	0.1
345.11810	0.8
349.09375	0.3
365.12347	0.1
367.10190	0.2
413.12561	0.2
431.13419	1.9
431.18665	0.2
432.13773	0.2
455.13449	3.3
456.13675	0.4
469.13596	0.3
473.14496	34.1
474.14859	3.2
489.17810	0.6
491.15472	0.8
497.14362	1.2
511.14572	0.2
515.15546	13.1
516.15851	1.3
557.16980	0.7
575.19342	0.7
575.36737	0.1
591.18854	1.0
601.17017	0.2
617.19879	0.3
619.18158	3.3
620.18262	0.6
633.19714	0.4
634.19592	0.1
635.21582	0.1
657.18213	0.3
661.19281	2.3
662.19135	0.2
679.20575	0.5
695.21722	0.2
719.21924	1.0
720.22559	0.2
737.22943	4.0
738.22992	0.5
761.22931	0.8
779.23975	4.1
780.24249	0.6
855.27350	0.3
865.26215	0.3
883.26538	2.0
884.25970	0.2
897.28119	0.4
907.27649	0.2
925.27710	8.7
926.27899	1.8
932.68927	0.1
1193.38281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1194.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01406	0.7
84.16826	0.7
85.02953	2.7
91.05528	6.5
92.05893	0.8
93.03451	0.7
98.19948	0.9
101.02458	1.6
113.02453	2.3
115.05536	76.1
116.05885	11.1
117.03467	16.1
117.07100	9.2
118.03828	2.5
119.05037	10.2
120.05328	1.8
123.04558	4.4
125.02449	1.7
133.06598	1.0
135.04517	1.6
140.00377	0.7
143.03508	2.6
143.05005	5.9
144.05379	1.5
145.02951	25.4
146.03337	3.5
159.04590	0.9
161.04793	0.4
161.06075	23.3
162.06380	4.2
163.04002	52.1
164.04355	7.1
187.04001	100.0
188.04333	21.6
189.04462	0.9
205.05090	3.5
254.09204	0.7
349.09470	1.5
359.42038	0.9
365.12405	1.1
387.12787	0.9
431.13425	0.9
455.13574	3.0
456.13559	1.5
473.14514	27.2
474.14743	12.7
475.15155	1.4
491.15073	0.8
497.14410	2.0
498.14987	1.4
515.15546	15.0
516.15887	8.3
517.16388	1.0
531.18573	1.0
557.16760	1.0
617.19940	3.5
618.20264	4.0
619.18658	2.8
620.18817	1.6
621.53064	0.7
661.19293	2.5
662.19904	2.3
737.23315	2.4
738.23730	2.6
779.23889	1.9
780.24542	1.6
781.99664	0.7
821.25116	1.4
863.26599	2.8
864.26434	1.1
865.27222	1.8
866.26654	1.3
884.27271	1.4
885.27997	0.8
925.28363	2.2
926.28180	3.2
929.29065	2.5
930.29321	9.3
972.32080	0.8
1078.84741	0.8
1170.42578	0.8
1194.37195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1195.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01383	0.1
83.05019	0.2
85.02950	1.9
87.00869	0.2
88.98809	0.2
89.02445	0.9
97.02964	0.4
98.19870	0.3
101.02439	1.4
103.04025	0.7
103.98937	0.1
109.02969	0.2
112.30033	0.1
113.02438	0.2
115.05534	0.2
117.84095	0.1
119.03519	0.4
119.04951	0.1
121.02866	0.1
127.03994	0.2
133.02905	0.3
135.04533	0.3
143.03545	0.1
150.03310	0.1
151.03905	0.1
161.02409	0.8
161.06076	0.1
163.06123	0.5
177.05609	0.1
179.03479	0.3
187.04033	0.3
190.83211	0.1
211.04024	0.1
212.04814	0.4
213.05560	7.7
214.05879	0.4
227.07104	0.4
240.04356	0.9
241.05060	22.7
242.05374	1.0
253.05054	0.1
254.05933	0.4
255.06615	5.6
256.07407	47.5
257.07712	2.4
269.08093	0.6
270.08945	1.9
271.09744	43.7
272.10089	2.2
298.08569	0.2
309.11050	0.2
313.10724	1.0
323.07791	0.1
337.10703	0.4
341.10239	0.2
415.13806	0.8
429.98523	0.1
433.15005	2.7
487.08206	0.1
503.15625	0.9
564.17542	0.2
579.20801	100.0
580.21155	9.4
615.18127	0.7
767.66400	0.1
1001.51318	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	1198.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02927	4.3
86.66685	2.7
101.02449	3.4
113.02456	7.2
115.05536	69.5
116.05864	8.3
117.03460	10.3
117.07104	9.0
129.90860	2.7
143.05051	6.4
145.02983	6.5
147.04530	8.7
161.04689	5.5
161.06052	25.8
163.04047	15.1
180.42935	2.9
187.03993	100.0
188.04324	14.1
189.04613	3.3
202.07916	3.6
213.05597	6.2
241.04976	5.2
256.07306	10.7
271.09769	7.2
455.13580	7.6
473.14368	30.4
474.15002	7.9
475.14893	3.9
475.22394	2.9
497.14539	6.8
515.15820	20.2
515.22797	3.2
541.95856	3.5
603.18781	19.4
604.19159	3.9
645.19495	15.8
695.22272	5.6
719.21320	3.7
737.23291	6.6
779.45734	13.3
780.46399	9.1
825.26044	6.0
867.27063	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	1198.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
98.19934	22.2
100.85098	7.6
115.05536	59.9
116.05852	15.0
117.07056	11.2
123.04521	8.6
161.06085	27.5
163.04005	30.1
171.61946	7.0
187.03975	100.0
188.04395	16.7
256.07114	7.6
455.13535	8.3
473.14603	21.0
515.15674	18.5
603.19147	10.7
607.45105	8.7
645.19360	10.0
867.27600	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	1198.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02885	4.7
92.34123	4.9
95.78725	4.9
96.96045	6.3
113.02421	7.0
115.05537	55.3
116.05888	6.8
117.07098	12.0
125.02431	6.7
143.03531	5.9
151.38513	6.0
161.06093	34.1
163.03961	11.4
187.03992	100.0
188.04335	9.3
199.97189	5.0
271.09741	5.4
273.61716	4.9
279.61533	4.9
455.13428	12.2
473.14548	38.6
474.15051	6.4
497.14404	7.7
515.15265	18.9
593.96350	5.7
603.18872	28.4
645.20453	8.7
752.80396	5.8
867.27240	25.7
1198.32837	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.29013	0.9
63.27713	0.9
66.03514	1.0
69.65479	5.7
79.07521	0.9
91.01879	1.4
91.15790	0.9
93.03469	5.1
94.02993	9.0
95.01421	1.1
98.20611	2.1
101.32372	0.8
108.02172	2.9
121.02959	100.0
122.02541	4.6
122.03267	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	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
59.64968	0.2
65.03975	0.3
70.54933	0.9
91.01899	1.1
92.02686	0.6
93.03458	2.6
95.01399	1.1
103.12920	0.3
108.02177	4.2
121.02959	100.0
122.03293	5.2
137.89508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0453
Annotation	Methylhydroquinone
Peak:m/z	Relative Intensity
67.01898	2.1
68.88338	0.9
68.99802	2.1
70.91738	2.1
70.92072	1.0
77.03966	6.8
88.61810	0.9
93.03461	5.4
94.03019	1.6
95.01391	38.2
95.03328	1.1
95.05026	33.8
96.04550	2.0
96.05355	1.0
96.20924	0.9
105.03458	5.5
108.02190	1.8
121.02973	4.4
122.03770	0.9
123.00906	18.0
123.04533	100.0
124.01711	1.3
124.04032	3.5
124.04871	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.2
57.03452	21.7
59.01371	3.1
67.01556	4.7
67.01894	49.5
68.99825	18.3
69.50863	13.4
69.51270	5.8
71.01383	12.1
72.99300	8.8
73.02942	5.2
83.01379	5.3
85.02957	9.7
86.10974	2.4
87.00872	5.3
87.39162	2.6
95.16341	2.6
95.76964	2.9
99.00872	2.8
100.98801	5.0
101.02460	2.8
117.73198	2.7
128.89226	7.4
128.90134	3.8
129.01942	27.3
130.08746	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
55.01869	16.1
57.03454	49.7
64.50035	4.6
67.01892	100.0
67.45737	4.8
68.02241	4.9
68.99818	13.1
71.01390	17.8
71.17812	7.9
72.99318	18.0
83.01411	7.1
85.02974	10.1
87.24967	4.8
88.04041	5.2
99.00848	7.4
129.01935	32.1
130.08751	6.3
141.47891	5.2
144.41437	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	129.0195
Annotation	Acetylpyruvate
Peak:m/z	Relative Intensity
51.09901	1.9
54.46527	2.1
55.01881	6.5
57.03440	14.9
61.09486	1.8
67.01897	42.6
68.99817	13.8
70.68160	5.5
71.01383	8.1
72.99301	6.2
73.02956	3.0
83.01390	4.0
85.02946	5.8
87.00876	3.3
92.46290	2.3
94.16076	2.1
129.01923	16.0
130.08737	100.0
134.00615	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	130.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07826	0.9
60.51396	1.0
71.31652	2.6
73.02936	1.8
81.60983	1.1
85.02929	1.4
87.04517	1.6
121.25573	1.2
130.08745	100.0
131.03482	1.4
131.09082	5.8
147.29161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
54.78852	0.9
59.01381	1.9
71.01384	84.1
71.41972	2.1
72.01738	1.5
72.99310	20.1
87.00869	1.6
89.02444	8.6
115.00375	100.0
116.00702	2.8
132.55263	1.1
133.01454	21.4
133.04971	1.2
134.04753	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	133.0295
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
54.20940	1.1
57.03447	3.7
65.00320	2.6
69.54015	8.3
71.01380	10.5
77.03965	17.2
83.52357	1.3
87.04511	7.0
89.03960	6.0
93.03454	2.8
95.05018	24.8
101.88763	1.2
104.02699	3.0
105.03461	46.6
106.03767	2.0
107.03630	3.6
115.00387	8.7
115.01917	1.9
121.02938	2.8
123.04505	4.1
132.02182	21.8
132.86819	5.0
133.02959	100.0
133.05064	4.1
133.06630	1.6
134.03613	5.0
134.04732	8.9
138.93050	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40450	0.5
53.30231	0.6
57.03439	2.1
59.01368	2.7
59.46760	0.6
65.01459	1.4
65.27110	0.7
66.00971	2.5
66.80440	0.6
69.80840	3.3
71.01380	54.8
72.01714	2.3
72.49315	0.6
72.99310	5.7
78.28572	0.5
81.99013	0.6
83.56835	0.5
85.02957	1.1
87.00329	0.9
87.00874	17.1
87.04511	8.2
89.02431	5.9
92.02547	8.9
107.03637	36.8
115.00375	23.1
115.00992	0.4
116.00679	0.8
118.69936	0.6
122.19311	0.7
132.86806	13.0
132.88594	1.3
133.01431	6.4
133.02968	1.6
133.05064	21.1
134.04724	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Adenine
Peak:m/z	Relative Intensity
56.43974	0.7
65.01460	1.7
68.02546	0.8
70.09903	2.4
70.94514	0.7
75.00877	2.8
80.02534	0.7
80.59486	0.7
92.02554	8.9
96.51510	0.6
103.75758	0.8
107.03644	40.3
108.04009	1.5
114.85139	0.6
126.31279	0.8
126.95014	0.7
127.73608	0.6
134.04730	100.0
134.86551	1.6
135.04536	5.5
146.13756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27265	0.4
57.96067	0.5
59.01372	0.8
65.01443	1.4
68.02518	0.8
69.42058	4.1
70.52074	0.5
71.01372	0.9
72.99319	2.3
75.00877	12.9
89.02451	0.9
92.02546	9.9
106.04231	0.8
107.03642	39.3
107.04980	3.6
108.03981	0.8
123.04546	0.7
134.04729	100.0
134.86534	3.2
135.03017	3.0
135.04399	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	135.0453
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
52.28208	0.6
57.31221	0.7
57.61625	0.7
65.58852	0.8
66.21272	0.6
69.03473	1.0
71.56145	1.0
72.99330	0.9
75.00874	5.2
89.03942	1.2
91.05549	1.3
93.03463	2.6
94.02984	0.9
104.75201	0.8
106.04234	2.3
107.05041	8.9
108.02199	4.9
117.03432	1.5
121.21248	0.7
134.03745	21.3
134.86563	2.8
134.89496	2.3
135.04532	100.0
136.01662	3.2
136.04007	1.5
136.04883	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	135.0453
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
69.21602	3.7
69.22031	3.2
72.99348	0.7
75.00884	6.0
78.20483	0.6
89.03973	1.4
91.05547	1.1
93.03454	2.2
106.04264	3.7
107.05029	12.0
108.02183	1.7
111.34631	0.7
117.03458	2.3
123.04530	1.7
134.03743	20.0
134.86577	3.0
134.89455	4.7
135.04526	100.0
136.04039	0.7
136.04878	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	136.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	2.9
69.49651	21.3
69.50011	3.7
93.03470	16.5
95.01387	15.5
106.89856	3.2
108.02172	100.0
136.01665	75.2
137.02386	11.6
141.60538	2.6
150.63332	2.5
152.52267	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	140.0718
Annotation	Ethosuximide
Peak:m/z	Relative Intensity
55.01868	2.0
57.03447	0.8
59.01377	1.7
66.76812	0.6
66.91787	0.8
67.01897	1.2
68.99813	2.6
69.03456	1.8
69.83578	3.3
70.12434	0.8
71.01400	1.0
83.01409	1.3
85.02930	3.6
95.01401	2.6
97.02958	2.1
99.00912	0.8
111.00888	2.6
112.03977	0.9
113.02453	1.6
123.00855	1.2
140.07176	100.0
141.01953	5.7
141.07550	5.5
159.84747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20034	3.6
53.00311	26.9
54.05154	3.4
54.27598	3.7
59.01376	8.2
60.62926	3.4
61.98255	3.1
65.25754	3.6
65.86270	3.6
68.99802	8.3
70.71951	7.5
70.72330	6.7
71.01382	52.3
80.99814	9.9
83.60676	3.2
87.00859	9.2
92.00491	3.4
96.99320	37.8
101.34468	3.7
112.98819	44.3
115.00371	5.1
124.97428	4.6
124.98814	84.1
125.49867	3.7
127.70276	3.6
130.03206	3.7
140.98300	7.8
142.99864	100.0
144.00232	4.5
147.20306	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94836	3.3
52.04342	3.0
53.00313	29.8
59.01373	9.4
59.82932	3.0
66.78548	3.5
67.71002	3.3
68.99813	8.3
70.95704	8.2
71.01384	48.2
80.99831	6.1
85.22237	3.2
87.00877	16.0
94.44822	2.8
96.43526	3.6
96.99315	34.6
112.98808	41.9
114.67669	3.1
115.00347	4.5
124.98799	88.2
125.99116	5.7
140.98277	12.4
142.99867	100.0
144.00139	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	32.2
59.01388	8.3
68.99815	8.2
71.01382	53.5
72.99298	4.6
80.99791	5.7
85.02922	5.7
87.00867	17.9
87.04556	3.7
96.99316	28.0
98.19851	7.1
112.98812	51.8
115.00394	4.0
124.98808	61.0
125.99201	3.7
129.54886	4.2
140.98259	14.2
142.99872	100.0
143.10767	3.8
144.04527	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	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
62.09348	0.4
63.32639	0.3
65.52095	0.3
65.60892	0.3
65.99857	0.7
69.74012	1.9
70.41948	0.3
70.86256	0.3
75.42220	0.3
79.91479	0.3
84.42169	0.3
94.78866	0.4
98.19976	0.5
102.03496	1.5
116.05064	0.6
122.60580	0.3
144.04547	100.0
144.24687	0.3
145.04883	6.1
153.89207	0.3
161.87840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0295
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.59153	0.7
53.10879	0.5
55.57277	0.6
58.32633	0.6
60.55666	0.6
71.01380	0.7
85.02977	0.6
89.03970	1.5
117.03468	100.0
118.03791	5.6
134.26352	0.6
135.24086	0.6
145.02954	38.0
146.03328	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	145.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
66.63322	0.5
69.57804	2.8
69.58212	0.9
71.84731	0.5
83.01379	1.1
89.03986	1.7
90.59035	0.5
117.03470	100.0
118.03806	6.4
138.22182	0.5
145.02957	38.6
146.03325	1.8
149.05780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.03449	13.8
58.00581	5.8
59.01382	100.0
60.01706	1.7
67.01880	2.2
68.99815	2.7
70.22371	8.5
71.01376	35.7
72.99310	10.5
75.00871	31.6
83.01385	6.9
85.02940	6.5
87.00868	6.6
89.02432	7.6
92.95969	8.0
94.95699	2.2
98.19907	2.4
99.00876	6.7
101.02416	2.9
111.00876	5.8
123.97305	2.0
129.01921	8.2
146.86705	7.2
146.93349	2.3
147.02968	8.1
147.04460	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	147.03
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
51.73432	4.1
56.15612	4.0
57.03451	30.8
59.01377	100.0
70.47868	7.3
70.48253	7.1
71.01372	31.8
71.05003	7.6
72.99303	13.5
75.00861	35.8
83.01376	9.6
85.02946	57.8
87.00876	72.1
87.37690	4.6
89.02439	6.2
99.00852	6.1
101.06068	5.9
103.01556	4.8
103.03997	9.3
118.95876	4.8
122.93243	4.1
129.01921	18.2
147.02966	16.9
147.04480	8.2
155.98024	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	148.0769
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
59.01391	10.9
69.37272	10.0
69.37681	28.1
71.01386	37.5
71.76790	4.0
72.99325	5.7
73.02958	9.5
75.00883	3.6
79.95718	6.1
87.00861	12.9
89.02446	62.4
90.44473	5.0
93.03459	17.2
93.89999	4.3
94.99312	10.3
98.20643	9.7
100.06109	4.2
102.03487	5.4
104.05059	10.9
105.03456	6.5
120.04588	10.7
121.02959	66.0
132.04546	7.5
148.04015	13.7
148.07701	100.0
149.00937	3.8
149.02457	29.4
149.04533	20.8
149.06065	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	150.0323
Annotation	4-(hydroxymethyl)benzoate
Peak:m/z	Relative Intensity
55.50314	0.6
59.01374	2.0
66.03492	1.7
69.65575	0.6
70.29712	1.4
71.01376	4.1
71.49190	0.5
72.99274	0.5
73.02956	0.7
74.29654	0.6
79.01852	0.6
79.95721	1.3
80.05042	0.7
81.03446	1.4
81.95306	1.2
83.01386	0.7
89.02433	3.9
90.02800	1.7
93.03458	10.9
94.02974	1.1
94.03813	0.9
95.01386	1.6
101.02431	2.0
101.34766	0.5
101.68916	0.6
106.06602	0.7
107.05045	4.3
108.02164	2.7
108.04575	1.2
109.96915	0.6
112.34351	0.7
117.02041	0.7
120.66653	0.6
121.02956	100.0
122.02415	1.2
122.03289	3.7
122.03752	2.7
122.06140	1.0
123.00851	0.9
123.04546	3.6
133.01572	1.0
136.01657	22.0
139.04007	0.8
149.02516	3.3
149.95490	0.7
150.00189	1.6
150.03221	42.8
150.05658	4.8
150.94823	3.1
151.04015	10.4
151.05975	0.9
154.52783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.4
60.24537	1.3
65.00327	1.4
66.00967	2.2
66.03490	3.3
67.01884	3.6
71.01376	16.1
71.44234	2.3
79.95731	1.5
80.05060	1.5
81.03468	7.4
89.02432	7.9
90.02782	2.0
91.37130	1.2
93.03460	36.6
94.02978	2.7
95.01385	4.6
95.05038	3.1
95.23676	1.1
95.24464	1.1
100.10439	1.2
101.02436	6.4
101.13239	1.2
101.42339	1.2
104.05167	1.2
107.03716	1.4
107.05041	8.9
108.02155	13.8
108.04545	3.5
108.93739	2.3
109.02972	3.9
121.02953	100.0
122.02493	1.8
122.03818	19.4
122.06102	3.6
123.00874	3.0
123.04550	18.0
126.03088	2.1
133.01558	15.3
133.02972	2.2
136.01662	100.0
137.02461	1.5
139.04008	1.9
149.02475	9.6
150.00166	5.0
150.01970	2.6
150.03189	31.7
150.04271	3.8
150.05649	9.0
150.94794	2.8
151.00540	1.3
151.04024	30.6
151.06030	3.1
160.55931	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Vanillin
Peak:m/z	Relative Intensity
55.56117	0.2
71.29588	0.5
79.01864	0.4
92.02668	0.5
93.48267	0.2
95.01398	1.2
98.20010	0.2
108.02173	6.0
136.01663	100.0
137.02000	3.9
150.70868	0.2
151.04013	8.3
152.04404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0195
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
57.03443	4.2
63.02388	2.2
65.00325	13.1
65.03966	1.0
66.33219	0.8
67.01893	4.0
68.99818	11.7
69.03478	0.6
71.56040	0.6
72.99320	3.9
73.78033	0.6
81.03434	3.7
82.00605	2.4
83.01387	30.4
83.05068	0.7
85.02956	3.0
95.01386	0.7
96.99300	1.0
97.02930	0.7
107.01392	17.3
108.02186	2.5
109.02955	36.4
109.06622	1.4
110.00099	38.2
110.03281	1.4
111.00923	1.8
111.04507	0.8
123.00868	0.8
123.04447	0.8
124.01649	1.0
124.98871	0.8
125.02450	27.3
126.02806	1.2
130.43237	0.6
135.04526	1.3
137.99591	19.5
138.02121	4.3
138.03218	1.6
138.06908	0.9
138.99916	0.6
151.00371	63.6
152.00742	2.3
153.01936	100.0
153.05418	3.0
153.09128	0.9
154.02336	4.4
154.05063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1285
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
54.40853	1.2
54.57709	1.3
56.98163	1.1
65.00292	1.1
65.03934	1.4
66.03487	1.3
68.69135	1.2
69.03455	2.0
71.05024	4.1
81.03465	4.6
82.01400	1.2
87.21484	1.3
95.05043	1.9
97.03027	1.3
97.06594	34.1
99.08152	11.7
108.02171	7.1
109.02959	64.8
109.06601	2.7
110.00110	1.8
110.03299	3.6
111.08171	1.6
116.61338	1.3
123.00858	1.5
125.02521	2.7
125.09771	1.7
135.04521	1.7
137.09729	3.0
137.99553	2.2
138.03288	1.9
151.00368	2.0
151.11319	2.6
153.01949	13.6
153.03967	1.5
153.05519	6.7
153.12854	100.0
153.86870	14.2
154.01479	1.9
154.13188	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	154.9986
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01878	100.0
56.02206	1.9
57.03458	1.1
59.01375	3.7
63.17050	1.0
66.58835	0.9
67.01867	2.6
71.01386	10.3
73.02937	3.4
74.21243	1.0
83.01385	42.0
83.05002	3.1
85.02952	5.7
87.00871	3.5
98.20741	2.2
99.00861	4.5
99.04565	1.4
109.02869	1.2
111.00864	4.4
111.04524	2.9
111.08146	1.8
112.98818	1.6
113.02441	3.1
114.05580	3.0
117.01965	2.2
127.00365	5.4
127.03946	1.2
137.02426	1.3
140.01193	3.8
145.75465	1.4
154.99872	27.3
155.03482	3.3
155.07088	1.2
155.10764	1.4
155.86554	4.7
161.81384	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9987
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01880	100.0
56.02209	1.8
61.98835	0.9
65.00317	1.2
67.01886	2.0
68.02552	1.0
68.99819	1.9
69.91638	1.0
70.69364	2.7
71.01385	15.3
78.95916	3.4
80.19704	0.9
83.01388	57.9
83.05015	2.8
85.02950	1.2
93.03450	1.0
96.96034	2.4
96.96984	1.7
98.20034	1.0
98.86265	1.1
99.00884	1.7
101.69824	1.0
109.02938	2.2
111.00875	7.3
111.02055	1.2
111.04523	3.6
112.04939	1.0
112.14996	1.0
113.02415	1.4
114.05618	4.0
121.41846	0.9
127.00372	15.3
128.00702	1.7
154.86897	2.2
154.99870	58.6
155.03450	5.1
155.86546	6.9
156.00224	1.8
158.19412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0822
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
54.43632	0.3
55.01887	0.5
57.03457	1.2
58.02971	1.8
59.01383	2.2
61.98843	0.5
68.99835	0.9
69.02341	0.3
69.03467	0.6
69.66828	1.9
71.01383	5.1
72.99325	0.6
73.02944	6.6
74.48355	0.3
75.00870	1.0
83.01407	0.9
85.02937	1.7
87.00882	4.4
97.06582	0.6
99.00874	1.9
99.92591	0.7
101.02438	3.4
111.00883	4.5
113.02464	1.5
113.09759	0.5
114.09256	6.7
114.10029	0.2
115.07641	0.4
116.07178	100.0
116.92857	1.6
116.93954	0.3
117.07518	3.2
128.00667	0.4
129.01938	4.1
130.04198	0.5
130.06595	0.9
131.03729	0.7
139.87245	0.3
157.86259	0.8
158.03578	0.9
158.06076	1.2
158.08197	13.1
158.12662	0.6
158.84636	2.1
158.89310	3.3
159.02951	7.2
159.04446	2.4
159.06606	0.5
159.10205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0615
Annotation	beta-Alanopine
Peak:m/z	Relative Intensity
52.62221	0.3
55.01881	0.6
56.02259	0.3
56.05050	0.5
56.44329	0.3
57.03449	5.6
58.00603	0.5
58.02976	22.5
59.01381	8.0
69.62918	2.1
70.02968	1.2
71.01383	11.4
71.05008	0.8
72.01711	0.7
72.04550	0.9
72.99315	2.3
73.02948	3.4
74.02473	9.4
75.00880	1.9
79.95721	0.3
81.03453	0.4
81.29734	0.3
83.01380	1.3
84.04548	23.4
85.02948	5.1
86.02479	0.4
86.06118	2.5
87.00868	7.2
88.04043	100.0
89.02445	1.2
89.04401	1.8
97.02966	0.5
98.02489	3.2
98.03292	0.5
98.06120	8.7
99.00899	1.9
99.04517	1.4
99.06493	0.4
101.02450	1.2
111.09261	0.4
112.04058	2.1
113.02476	0.7
114.05610	3.4
115.00362	0.4
116.03512	1.8
116.04333	0.6
118.05111	8.1
128.03481	0.3
128.96063	0.4
129.02008	0.3
130.05099	20.1
131.03506	1.9
142.05138	1.7
142.89148	0.4
142.99875	0.5
143.03456	0.5
152.83099	0.3
159.89391	7.0
160.06157	19.5
160.84218	13.2
160.89281	6.3
161.00922	1.0
161.02443	1.1
161.04556	2.6
165.77145	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0608
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
52.94915	1.2
55.01870	2.2
57.03445	9.4
58.00587	4.2
59.01381	53.7
66.71357	1.4
69.03433	3.2
71.00999	2.7
71.01382	37.5
72.99313	6.0
73.02546	1.9
73.02950	26.2
75.00850	2.3
76.89823	1.3
81.03458	8.9
83.01381	14.7
84.02150	1.3
85.02956	63.1
87.00872	8.1
87.04535	1.6
89.02441	12.0
91.05533	70.6
92.05914	1.8
95.01355	1.4
97.02933	5.3
98.20644	3.3
99.04531	1.9
101.02427	5.8
112.79960	1.2
113.02425	5.8
113.33451	1.3
116.78880	1.2
117.03412	1.5
117.07104	100.0
118.07436	4.1
123.33395	1.3
129.01906	1.5
131.03497	27.2
133.02954	2.5
133.06558	3.7
135.04581	6.2
135.05505	1.2
143.03543	1.3
156.53647	1.4
159.02985	1.2
160.84233	1.8
161.02524	10.4
161.04535	36.1
161.06055	42.1
161.08112	1.9
162.06438	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0608
Annotation	trans-2-Phenylcyclopropanecarboxylic acid
Peak:m/z	Relative Intensity
55.01880	2.4
57.03445	8.8
58.00599	2.4
59.01381	44.4
60.01718	1.2
69.03447	3.1
71.01383	35.3
71.05029	0.9
72.99325	5.6
73.02948	19.4
75.00873	2.3
77.34698	1.0
81.03463	9.5
83.01385	14.0
84.02174	1.3
85.02955	55.5
86.03261	1.3
87.00878	5.6
89.02458	10.5
91.05514	1.2
97.02967	5.0
98.19823	1.7
99.00869	1.2
99.04504	3.8
101.02454	3.3
113.02454	4.3
115.04020	2.0
115.05524	1.2
115.06279	1.0
115.92078	9.9
117.07108	100.0
118.07431	5.5
125.02455	1.6
129.01965	1.4
131.03516	23.9
132.03806	1.2
133.02950	2.5
133.06561	2.2
140.32910	1.0
143.03485	1.0
143.86490	1.4
159.03012	1.3
160.84222	20.9
160.89201	1.3
161.02538	8.3
161.04549	29.1
161.06075	23.7
161.08192	1.6
161.91391	1.3
162.04843	1.1
164.91440	1.0
169.64122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.082
Annotation	Oleandrose
Peak:m/z	Relative Intensity
55.01883	2.4
57.03450	10.5
58.00583	1.7
59.01379	50.5
59.98525	1.4
69.03443	5.5
69.66138	3.7
69.66560	6.2
71.01382	48.8
71.05015	31.3
72.99310	7.9
73.02943	28.3
75.00874	3.2
76.16833	1.6
81.03439	8.0
83.01385	14.9
84.02127	1.9
85.02947	64.3
87.00863	4.9
87.04512	24.6
89.02448	12.9
97.02956	6.4
98.20612	3.2
99.04517	90.1
100.04833	2.0
101.02408	3.9
106.39671	1.6
113.02433	5.1
115.04008	55.5
115.07645	12.6
117.03477	1.6
117.05579	38.3
125.02398	1.5
129.01964	1.7
131.03505	22.6
133.02975	3.2
159.02957	2.6
160.84196	27.8
160.89273	4.3
161.02486	13.3
161.04550	37.9
161.08188	100.0
161.89464	2.2
162.01898	2.1
162.08582	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	161.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.5
58.00593	1.0
59.01381	18.4
59.28666	1.2
69.03436	2.5
69.72202	2.4
69.72611	3.6
71.01380	29.6
71.05023	32.8
72.99310	2.5
73.02944	10.9
81.02568	1.0
81.03443	3.9
83.01385	4.4
84.02162	1.3
85.02947	20.2
85.06596	1.0
87.00866	2.9
87.04514	20.9
89.02455	3.0
97.02943	1.3
99.04518	98.3
100.04855	1.3
111.80268	1.0
113.02415	1.8
113.06087	1.3
114.03310	1.1
115.04015	59.7
115.07655	12.0
117.05580	39.2
118.05948	1.4
131.03519	7.5
133.02995	2.6
160.84219	6.9
160.89279	1.4
161.02469	5.7
161.04591	13.3
161.08195	100.0
162.04837	1.1
162.08549	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	161.082
Annotation	Oleandrose
Peak:m/z	Relative Intensity
55.01881	2.0
57.03451	9.1
58.00588	3.5
59.01380	40.4
67.96514	1.3
68.45208	1.3
69.03456	5.8
69.62488	7.3
71.01383	45.8
71.05023	35.6
72.99315	5.1
73.02944	23.4
75.00864	2.8
78.80899	1.1
81.03453	9.4
83.01385	13.9
84.02150	1.3
85.02953	55.4
86.03257	1.3
87.00892	4.5
87.04515	21.5
87.12849	1.3
89.02447	9.9
93.36447	1.1
97.02941	4.0
98.82683	1.3
99.04520	98.1
100.04845	3.2
101.02443	5.3
113.02449	2.8
115.04017	55.9
115.07671	12.8
116.04389	1.9
117.03414	1.4
117.05578	38.1
125.02444	2.7
126.80968	1.3
129.01961	2.0
131.03500	23.1
133.02963	5.2
133.06512	1.1
143.03494	1.7
160.84210	8.4
160.89316	2.5
161.02504	10.6
161.04570	27.6
161.06044	2.9
161.08194	100.0
162.08524	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.9137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.8
63.00517	0.1
71.19214	0.3
82.47733	0.1
83.08560	0.1
91.01900	0.4
99.92581	2.2
115.92080	100.0
116.92094	5.9
117.92842	0.2
119.01432	0.2
119.05035	5.6
127.49735	0.2
135.00885	0.2
161.91370	10.9
162.01884	0.3
162.91396	0.4
163.00368	0.6
163.04007	0.4
170.84973	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
59.01387	0.2
62.77205	0.2
63.94167	0.1
91.05521	0.2
93.03465	1.6
101.02426	0.3
116.92113	0.2
117.03439	0.2
119.05030	100.0
120.05357	3.6
135.04547	0.2
162.83917	1.1
162.89270	0.2
163.00407	0.2
163.04012	7.7
164.04385	0.2
171.74409	0.2
173.66910	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
51.93178	0.1
57.18455	0.1
65.24457	0.1
67.95014	0.1
69.42304	1.1
91.05532	0.4
93.03458	1.1
98.19890	0.3
117.03489	0.2
119.05029	100.0
120.04521	0.3
120.05363	3.7
127.00668	0.1
142.53188	0.1
145.92445	0.1
153.15494	0.2
163.04013	7.0
164.04378	0.3
172.07393	0.1
178.58025	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13180	0.2
59.01389	0.4
59.01662	0.2
61.81348	0.2
63.51550	0.2
71.01431	0.2
71.10507	0.2
71.10847	0.3
91.01901	0.3
91.05545	0.5
93.03456	1.2
101.02432	0.3
117.03506	0.3
119.05033	100.0
120.05370	3.7
135.04492	0.3
162.89384	0.2
163.00423	0.4
163.04021	6.6
163.06087	0.3
164.04408	0.4
181.85303	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
50.17680	1.1
56.37680	1.4
59.01384	1.5
61.98834	3.9
65.00880	1.2
74.68227	1.2
76.19205	1.2
84.53513	1.2
93.03454	1.7
98.19852	2.6
98.27046	1.1
113.92349	1.2
116.92090	3.4
119.05033	96.4
120.05386	4.3
122.16515	1.4
147.08203	1.7
163.00258	1.6
163.04044	5.2
163.11290	100.0
164.11626	4.6
181.26175	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
65.00323	1.0
65.13518	0.6
67.36968	0.5
71.18729	1.3
72.00909	43.0
75.00864	1.6
82.20380	0.7
87.00912	0.9
87.74765	0.8
91.05549	2.6
93.03454	1.8
102.65562	0.6
103.05553	5.0
108.02193	1.9
119.05037	3.6
120.02146	1.0
120.05378	8.3
121.02966	14.3
123.04550	0.7
126.04176	0.6
137.02449	2.2
147.04523	100.0
148.04880	4.4
149.01022	0.6
149.02406	1.4
150.03221	2.1
164.01147	4.6
164.07164	44.8
165.01883	2.7
165.04074	1.2
165.05537	1.3
165.07489	0.7
165.09175	2.2
173.89023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
55.16971	0.7
56.93485	0.7
62.46590	0.7
65.51694	0.7
71.33188	1.4
72.00912	39.8
76.13450	0.7
91.05552	2.5
96.56612	0.6
99.06783	0.6
103.05545	6.1
118.06625	0.7
118.82471	0.6
119.05028	2.6
120.05367	3.1
121.02959	3.4
121.06649	0.7
128.97972	0.6
131.41869	0.7
147.04526	100.0
148.04861	3.8
150.03293	1.0
164.07170	43.6
165.05640	0.9
165.07458	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	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
69.58768	3.5
69.76527	0.6
72.00909	44.6
73.81271	0.5
78.85632	0.5
91.05539	2.7
96.50687	0.5
103.05546	6.6
118.06659	0.7
119.05032	2.0
120.94280	0.6
121.02951	5.3
122.03743	0.7
122.64318	0.6
147.04521	100.0
148.04849	4.2
149.02386	0.8
150.03221	8.8
155.09187	0.5
164.07166	46.6
164.83572	0.8
165.07506	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	165.0193
Annotation	4-Formylsalicylic acid
Peak:m/z	Relative Intensity
52.08085	0.3
59.01400	1.4
59.01637	0.3
61.67857	0.3
65.00301	0.3
67.01886	0.3
69.49143	2.4
71.01378	0.6
75.00871	1.1
77.03970	2.9
81.03487	0.5
84.62918	0.3
87.00877	1.6
93.03465	3.5
94.74674	0.3
95.01392	0.7
101.02426	0.3
105.01942	1.0
107.05021	0.7
107.17283	0.3
108.02202	0.5
108.04542	0.4
109.02954	1.3
115.04132	0.3
118.24194	0.3
119.05015	0.9
121.02959	100.0
121.06583	0.9
122.03212	2.7
123.04533	0.6
124.04069	0.3
135.04538	1.1
137.02457	3.8
147.04547	0.5
149.00957	1.2
150.03239	4.6
158.23398	0.3
164.83617	4.5
164.89578	1.1
165.00531	0.5
165.01930	9.4
165.04074	1.6
165.05576	2.0
165.09175	0.5
166.02336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
55.01876	1.3
57.03444	2.6
59.01101	1.3
59.01383	14.7
68.99859	1.1
70.54551	1.8
70.54882	1.3
71.01387	12.8
72.99311	12.7
73.02947	3.6
75.00875	91.9
75.03374	0.9
77.03976	2.8
79.93591	0.9
79.95754	1.9
81.03447	1.0
83.01384	1.4
85.02962	2.6
87.00880	100.0
88.01244	1.6
89.02442	3.2
93.03476	4.9
99.00882	10.8
101.02449	5.3
105.01939	72.1
106.02304	1.9
107.05002	0.7
108.04591	0.9
109.02990	1.2
111.99049	0.8
117.01944	3.8
121.02959	55.1
122.02477	1.7
122.03291	1.5
129.01950	11.7
135.02979	2.4
135.04631	1.4
137.02441	3.3
141.99054	1.0
147.03008	10.9
150.03194	4.2
154.60170	0.8
164.83611	12.4
164.89877	6.6
165.02020	6.7
165.04048	72.9
165.05421	3.7
166.04204	0.9
180.25786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	Dihydro-3-coumaric acid
Peak:m/z	Relative Intensity
59.01378	53.1
69.34386	3.3
69.34801	6.9
81.70558	1.3
93.03458	37.1
94.03862	1.3
97.26292	1.1
98.20641	2.4
104.06705	1.3
108.81391	1.2
119.05035	7.2
121.02948	27.3
121.05682	1.7
121.06597	30.4
121.08323	1.1
121.63192	1.2
137.02437	3.0
147.04541	1.7
149.00948	1.3
150.03229	3.2
164.83679	5.9
165.01903	4.8
165.05565	100.0
166.05974	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	167.035
Annotation	Orsellinic acid
Peak:m/z	Relative Intensity
54.21857	0.3
57.03441	1.9
59.01380	2.3
63.02387	0.3
65.00314	2.1
66.03471	0.3
67.01894	0.5
69.03446	0.5
69.73984	1.4
79.05529	0.4
80.02668	0.3
80.54905	0.3
81.03454	21.8
82.03783	0.3
83.01381	9.1
84.02190	0.3
93.03493	0.5
95.01405	0.6
95.05020	3.3
97.02969	0.6
98.20602	0.6
99.04508	0.7
107.01371	1.9
108.02164	2.4
111.04501	0.3
111.08197	0.3
121.02982	0.4
121.06564	0.3
123.04522	100.0
124.01634	0.7
124.04832	3.4
125.02438	7.5
137.02440	0.6
139.07642	0.4
149.02426	0.5
149.06062	0.6
151.00372	4.0
152.01144	4.1
167.03487	71.0
168.03844	2.3
185.58786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58152	0.3
58.02975	100.0
59.03316	0.9
65.00333	0.3
66.03497	1.1
68.99829	0.5
69.03450	0.6
69.83363	0.7
69.83755	0.9
69.94064	0.3
70.02984	0.4
81.03531	0.4
82.30908	0.3
97.02972	0.9
109.85214	0.4
122.89445	3.0
123.04553	1.2
124.04869	0.3
125.02441	5.6
125.09743	0.4
132.73257	0.3
134.88770	0.3
151.11418	0.3
168.13919	7.8
168.15182	0.5
168.83652	1.2
169.01414	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	169.0144
Annotation	Gallate
Peak:m/z	Relative Intensity
57.03452	7.4
59.01342	0.4
61.98829	16.0
63.02403	2.6
65.00323	9.2
68.99827	0.7
69.03458	3.9
70.58340	0.7
70.58681	1.1
71.01400	1.3
79.01875	0.8
79.95740	0.5
81.03467	5.6
83.01382	28.0
84.01688	0.5
85.02961	1.9
95.01375	2.0
95.04987	0.6
97.02964	5.4
97.06611	1.0
99.00890	1.4
107.01396	15.4
107.05060	1.2
109.02950	0.9
109.22535	0.5
111.00868	1.3
111.04491	0.5
113.02454	1.9
122.89427	100.0
123.00874	1.0
123.04491	3.9
123.89461	1.3
124.01691	0.7
125.02448	38.4
125.06097	1.7
125.09719	0.9
125.99582	1.6
126.02776	0.7
126.90385	1.5
139.00349	1.8
139.04034	0.7
141.01949	1.0
141.05551	0.6
151.00368	79.0
151.03885	1.1
152.00742	2.6
153.99068	0.8
154.02711	1.0
168.83635	5.2
168.88953	1.1
169.01421	63.7
169.05034	2.1
170.01765	2.2
186.89771	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	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01873	0.5
58.81934	0.4
59.01377	2.9
61.98837	1.4
64.21291	0.5
65.00312	0.8
69.24553	4.7
71.01392	0.6
73.81641	0.4
81.03450	0.5
83.01412	0.5
99.00883	1.6
99.08177	3.0
99.92582	3.3
109.06583	0.7
111.00890	1.0
114.03296	0.4
123.00816	0.5
124.89101	3.5
125.09719	3.7
127.07663	6.7
127.11291	6.3
153.09198	1.4
170.83315	4.7
171.01971	2.9
171.10268	100.0
171.13815	3.7
171.91060	1.1
172.10635	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
55.01895	0.5
57.03450	0.3
58.02969	1.3
59.01416	0.6
60.99329	0.7
67.01889	5.8
69.03484	1.1
69.54785	0.4
69.55199	1.3
71.01384	3.0
71.01711	0.2
72.33619	0.2
72.99309	0.4
73.02966	0.5
81.03499	0.3
82.06631	0.6
83.01389	0.4
83.05048	0.3
83.13951	0.2
85.02966	0.5
87.00886	0.4
93.03458	19.5
99.00915	1.0
107.11424	0.3
109.84260	0.2
111.00887	2.1
111.04521	1.9
111.08146	0.3
112.98813	0.3
124.98785	0.3
128.07977	0.4
128.10812	2.7
130.08737	100.0
131.09088	2.5
142.99837	0.7
145.02887	0.4
154.99852	0.6
172.09755	10.7
172.14275	0.4
173.04596	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	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.9
58.02978	2.5
59.01379	0.6
60.99316	1.0
67.01889	7.2
69.03474	1.3
70.51052	0.3
71.01378	3.5
71.56451	0.4
73.02965	0.4
81.03468	0.5
83.01390	0.5
83.05043	0.4
85.02975	0.8
93.03460	27.1
99.00908	1.2
111.00891	2.8
111.04527	2.6
112.98855	0.4
119.31004	0.3
124.98820	0.6
128.08038	0.5
128.10822	6.9
130.08740	100.0
131.09099	2.8
142.99881	0.9
154.99886	0.8
172.09787	15.1
173.02386	0.4
173.04582	2.7
186.35362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
54.24812	0.2
57.03461	0.5
58.02974	1.1
59.01403	0.7
59.67270	0.2
60.99311	0.6
67.01894	6.3
69.03482	1.1
69.41200	1.9
70.48283	0.2
71.01379	2.8
71.01700	0.2
72.99323	0.6
82.06660	0.4
83.01394	0.3
85.02962	0.8
93.03460	20.8
94.02412	0.2
99.00909	1.0
111.00885	1.9
111.04530	2.0
111.08157	0.3
112.98801	0.3
124.98829	0.6
128.08022	0.5
128.10822	1.8
129.01872	0.3
130.08740	100.0
131.09116	2.2
142.99895	0.7
144.04489	0.3
154.99838	0.8
155.03551	0.3
172.04037	0.3
172.09767	10.5
173.00989	0.3
173.02397	0.3
173.04568	1.5
173.08150	0.3
173.10052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	5-(1,2-Dihydroxyethyl)-2,3,4(5H)-furantrione
Peak:m/z	Relative Intensity
50.91336	1.0
53.00296	3.7
55.01878	8.0
57.03464	2.1
58.59230	0.9
59.01100	0.9
59.01369	5.4
67.01885	2.6
68.99804	3.4
70.96280	2.2
71.01385	100.0
72.01732	1.0
72.99305	3.1
73.02939	3.9
80.99816	2.1
83.01389	9.5
85.02963	1.6
87.00864	5.2
93.03451	3.9
93.93172	0.8
96.99309	5.7
99.00884	39.1
99.01532	2.0
111.00871	2.8
112.98067	1.9
112.98812	26.9
113.29983	0.9
115.00376	3.7
124.98813	38.9
129.01915	1.1
140.98315	3.1
142.99863	83.9
144.00185	2.4
154.99817	3.0
159.82454	1.0
173.00911	12.9
176.89410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91336	1.0
53.00296	3.7
55.01878	8.0
57.03464	2.1
58.59230	0.9
59.01100	0.9
59.01369	5.4
67.01885	2.6
68.99804	3.4
70.96280	2.2
71.01385	100.0
72.01732	1.0
72.99305	3.1
73.02939	3.9
80.99816	2.1
83.01389	9.5
85.02963	1.6
87.00864	5.2
93.03451	3.9
93.93172	0.8
96.99309	5.7
99.00884	39.1
99.01532	2.0
111.00871	2.8
112.98067	1.9
112.98812	26.9
113.29983	0.9
115.00376	3.7
124.98813	38.9
129.01915	1.1
140.98315	3.1
142.99863	83.9
144.00185	2.4
154.99817	3.0
159.82454	1.0
173.00911	12.9
176.89410	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
55.75021	0.4
57.03444	0.6
58.00586	0.9
59.01379	29.4
59.78916	0.5
66.35191	0.4
67.01895	1.3
70.86830	0.6
71.01384	40.6
71.44320	0.4
72.99313	4.9
73.02950	3.3
73.73231	0.4
75.00885	0.6
83.01398	1.5
85.02946	3.3
87.00879	97.1
88.01217	1.7
90.56240	0.4
99.00889	0.7
101.02457	0.9
112.98790	2.5
113.02470	0.9
115.00375	100.0
116.00725	1.8
127.00368	0.9
144.81786	0.5
174.89024	0.6
175.02490	22.7
175.09785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61238	0.1
55.01884	0.4
56.99825	0.2
57.03450	1.0
58.00596	1.1
59.01379	27.7
60.01716	0.3
60.99304	0.1
66.42670	0.1
67.01886	1.3
68.99824	0.1
69.03458	0.1
71.01382	39.0
71.54637	0.1
72.01709	0.5
72.99309	3.9
73.02945	3.1
75.00895	0.4
83.01385	1.6
84.02140	0.1
84.99334	0.2
85.02953	2.9
86.00114	0.1
86.03275	0.1
87.00876	100.0
88.01204	1.5
88.68935	0.1
95.01389	0.1
96.99295	0.3
99.00890	0.8
101.02448	0.7
103.00340	0.3
111.00856	0.2
112.98817	2.8
113.02444	0.9
113.99113	0.1
115.00372	96.4
116.00706	1.6
117.01884	0.1
127.00372	0.9
129.01988	0.3
131.03474	0.1
139.00421	0.1
145.00334	0.1
157.01439	0.1
175.02470	21.8
176.02835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09190	0.3
57.03447	0.9
58.00580	1.3
59.01379	29.1
64.22917	0.3
67.01884	1.4
69.77783	2.0
71.01379	38.2
72.99307	3.1
73.02940	3.5
83.01379	1.1
85.02932	2.0
87.00875	93.9
88.01215	1.9
88.46814	0.3
94.99554	0.3
96.99344	0.5
99.00890	0.8
101.02465	0.6
106.92301	0.4
112.98831	2.5
113.02422	0.8
115.00372	100.0
116.00699	1.9
127.00362	0.9
146.12392	0.4
155.20259	0.4
175.02469	23.3
176.02882	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0247
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
50.79428	0.9
59.01377	26.6
67.01861	1.1
69.37936	8.5
71.01382	39.3
72.99314	3.0
73.02948	2.9
83.01403	1.2
85.02965	3.0
87.00877	100.0
88.01234	1.6
90.04555	1.0
98.19736	1.0
99.00871	1.2
101.02456	0.9
112.98803	4.0
115.00376	98.3
116.00723	1.9
116.79343	0.9
125.62804	0.8
167.00909	0.9
175.02481	22.6
194.60339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21430	0.4
56.86223	0.4
57.03446	0.9
58.00594	1.1
59.01381	29.0
65.30169	0.4
67.01875	1.0
70.45516	1.5
71.01384	35.9
71.91975	0.5
72.01714	0.7
72.99309	3.9
73.02934	2.6
83.01366	2.2
85.02969	2.7
87.00878	88.7
88.01215	1.4
96.62816	0.5
99.00901	0.8
101.02464	0.8
112.98796	2.7
113.02459	0.8
113.11406	0.5
115.00375	100.0
116.00704	1.8
127.00376	0.8
153.37370	0.5
160.08868	0.4
175.02480	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
58.00589	0.4
59.01377	6.5
63.23197	0.2
67.01912	0.3
69.03450	0.4
70.69020	0.5
70.69397	0.4
71.01382	8.8
71.01774	0.5
71.66892	0.2
72.01704	0.2
72.99307	1.0
73.02946	0.7
83.01406	0.3
85.02956	1.3
87.00877	22.2
88.01205	0.2
93.03463	0.3
99.00877	0.4
104.02692	1.4
112.98809	0.7
115.00375	22.9
115.03941	0.3
116.00733	0.5
119.01373	0.2
123.87453	0.2
124.98802	0.4
127.00334	0.3
127.74815	0.2
131.03485	0.4
131.05011	0.3
132.02171	47.2
133.02496	1.6
147.04556	0.4
160.01657	100.0
161.01978	3.9
163.98520	0.2
168.60648	0.2
170.38673	0.2
173.30060	0.2
174.88954	1.0
175.02475	4.5
175.04004	15.4
176.04370	0.3
183.48538	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
57.03455	1.5
58.00612	0.7
59.01380	16.1
62.09765	0.5
69.03461	0.9
69.51260	1.8
69.51689	1.6
71.01384	17.1
72.99307	1.1
73.02959	1.5
74.58482	0.4
75.00831	0.5
85.02966	1.7
85.06592	45.8
86.06941	0.9
87.00877	42.8
87.04501	2.2
88.01224	0.7
88.04005	0.5
93.03470	0.6
98.19891	1.0
100.11864	0.5
112.98806	1.4
113.02402	0.4
113.06090	36.9
114.06436	1.3
115.00378	40.3
115.04012	100.0
116.00765	0.6
116.04363	2.2
129.05600	2.0
130.59030	0.5
131.07144	7.6
147.04535	0.6
157.05049	8.5
174.82988	0.5
174.88927	2.2
175.02493	8.3
175.06114	39.1
176.03577	0.5
176.06464	1.0
190.70102	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0404
Annotation	3-Dehydro-2-deoxy-D-gluconate
Peak:m/z	Relative Intensity
52.92499	0.5
55.01874	1.2
59.01378	100.0
60.01710	1.0
68.99843	0.6
69.54552	3.8
71.01383	1.6
73.02962	1.9
75.00880	1.0
87.00894	1.6
89.03976	0.6
93.03490	0.9
105.03468	0.9
117.01967	1.1
121.02951	0.9
128.24042	0.6
129.74490	0.5
133.02950	2.9
134.03772	1.3
135.03014	3.7
149.02481	1.1
162.03224	9.9
162.04579	0.7
177.01917	9.3
177.05510	2.7
177.09160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0558
Annotation	4-Hydroxy-3-methoxycinnamaldehyde
Peak:m/z	Relative Intensity
59.01372	0.3
68.86636	0.2
69.33488	0.6
69.33912	0.8
71.01384	0.2
88.98818	0.2
93.03461	0.4
101.05489	0.2
105.03465	0.3
106.04243	1.0
112.72478	0.2
115.00386	0.2
120.02167	0.9
121.02943	0.5
123.04504	0.2
133.02972	1.1
134.03737	5.0
145.02960	0.2
149.02422	0.3
161.02458	1.9
162.03223	100.0
163.03581	3.4
166.46536	0.2
177.01982	1.1
177.05565	10.9
178.05989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69732	0.2
59.01387	1.2
63.02394	0.9
65.00319	0.5
65.03958	1.6
66.37135	0.2
67.01894	0.5
69.03463	0.5
69.65679	1.2
71.01376	2.3
73.02954	0.8
79.01871	0.2
79.05532	0.3
81.03464	0.2
83.01405	0.7
85.02949	1.7
87.00883	7.3
89.02437	0.7
93.03459	0.3
95.01385	0.3
97.02982	0.5
99.00880	2.1
101.02461	0.7
106.06639	0.2
107.01392	0.8
107.05029	4.7
108.02203	0.2
109.02958	1.6
113.02423	0.3
117.01953	1.4
121.02952	0.4
125.02423	1.0
129.02039	0.2
133.02902	0.3
134.03777	0.2
134.06175	0.3
135.04527	73.6
136.04834	2.3
141.01958	0.7
146.03748	0.7
149.06059	0.5
151.00334	1.4
151.03989	0.4
159.02992	0.2
159.54608	0.2
161.04561	3.7
161.49825	0.2
163.04010	100.0
164.04344	3.4
169.01555	0.3
177.05614	0.4
178.02496	0.4
178.05040	0.4
178.06349	2.8
178.84256	0.3
178.99820	0.8
179.03561	0.7
179.05612	4.5
179.07051	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06862	0.2
51.86556	0.2
52.66522	0.2
55.11853	0.2
57.84455	0.2
59.01381	0.5
61.98827	0.6
64.32546	0.2
69.91148	1.1
71.01402	0.4
82.13179	0.2
82.58507	0.2
87.00874	0.9
95.95267	0.2
97.35232	0.2
99.00918	0.2
119.93767	0.9
134.96092	50.8
135.87567	0.2
135.96162	3.1
136.94009	100.0
137.94081	6.1
138.94446	0.2
143.16486	0.2
151.92720	16.4
152.92770	1.1
154.95154	0.3
161.04558	0.4
178.95062	62.8
179.05576	0.4
179.95193	3.5
196.96165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
56.32421	0.2
58.63438	0.2
59.01361	0.3
69.53474	1.6
71.01385	0.2
75.00922	0.2
85.02969	0.2
87.00880	0.9
89.03959	0.3
91.05552	0.4
93.03486	0.3
93.60045	0.2
94.72689	0.2
95.45368	0.2
99.00893	0.4
101.75060	0.2
106.04240	0.3
107.05042	1.8
108.02189	0.2
109.02959	0.4
117.03487	0.7
133.03003	0.3
134.03746	7.2
135.04530	100.0
136.04863	3.5
136.73804	0.2
137.75671	0.2
161.04553	0.7
165.77391	0.2
166.20746	0.2
179.03500	14.6
179.05518	0.6
180.03833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
59.01380	22.6
63.02403	2.9
69.49007	19.6
71.01374	17.6
73.02961	9.8
75.00871	5.9
77.03944	2.8
81.03489	4.1
83.01385	6.9
85.02939	15.6
87.00878	61.0
89.02456	8.1
91.05593	2.6
93.03437	3.4
97.02983	5.2
99.00877	18.3
101.02451	7.5
107.05029	100.0
109.02968	3.6
117.01929	9.4
120.07266	2.6
121.02945	26.5
125.02444	8.6
131.03534	3.5
135.04524	18.9
146.03755	4.5
151.04021	7.0
159.03001	2.9
161.04543	32.0
163.00356	2.8
164.01106	4.6
164.04787	4.9
174.93872	2.5
179.03464	24.8
179.05605	33.8
182.83221	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	179.035
Annotation	5,7-dihydroxy-4-methylphthalide
Peak:m/z	Relative Intensity
54.25865	0.5
55.01875	1.1
56.26088	0.5
57.03446	1.1
59.01375	7.7
63.02393	3.1
64.44872	0.6
65.00314	1.5
68.99812	1.0
69.03439	2.6
69.41698	2.3
69.42130	2.2
71.01385	13.1
72.36467	0.5
72.99296	1.0
73.02948	4.5
75.00861	1.6
79.01882	0.7
81.03452	1.2
83.01389	3.7
85.02953	11.1
87.00878	43.3
89.02441	3.0
91.01892	4.7
92.02165	0.7
92.02657	3.2
93.03445	0.7
95.01389	17.3
97.02933	4.3
98.20617	1.2
99.00888	11.6
101.02425	4.5
106.00607	1.2
107.01388	3.5
107.04990	3.3
108.02177	64.6
109.02430	0.8
113.02486	1.5
117.01952	7.7
119.01402	2.8
120.02122	0.9
121.02956	8.5
123.00865	2.4
125.02439	5.4
129.01939	1.3
135.04523	4.3
136.01666	25.5
141.01924	4.5
146.03703	2.6
151.00386	7.2
151.04008	16.0
159.02989	2.3
161.04555	21.7
161.05885	0.5
164.01152	2.2
164.04788	3.0
169.01456	1.1
177.04070	1.2
178.84059	0.6
179.00162	3.8
179.03468	100.0
179.05562	23.5
180.03802	3.6
180.05989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.035
Annotation	2-Hydroxy-3-(4-hydroxyphenyl)propenoate
Peak:m/z	Relative Intensity
59.01373	7.9
63.84721	1.9
71.01373	10.1
73.02932	4.4
75.00871	2.1
75.41959	1.7
77.03978	3.3
83.01373	4.1
85.02943	8.3
85.15690	2.4
86.82021	1.8
87.00876	30.3
88.77254	2.1
89.02447	2.7
93.03452	6.5
98.20599	3.9
99.00896	10.3
99.98204	1.9
101.02420	3.7
105.03456	5.8
107.05035	100.0
108.02132	2.6
108.05366	4.0
113.02455	2.5
117.01933	4.7
120.41515	2.3
121.02969	17.7
122.29259	1.9
125.02466	3.3
133.02968	2.5
134.03751	2.6
135.04527	13.9
146.03775	10.5
147.00812	2.2
151.00363	2.6
151.03976	5.8
161.04538	17.9
161.05988	3.9
164.04782	7.6
179.03491	21.4
179.05640	18.3
179.07063	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
52.38177	1.0
57.03452	2.7
57.15589	1.0
58.00594	2.8
59.01381	67.6
59.97126	1.3
68.68570	1.2
69.03446	2.2
71.01386	48.9
71.05030	1.7
72.99310	14.5
73.02946	12.0
75.00874	100.0
81.03452	7.2
83.01388	5.1
85.02953	29.1
86.03268	1.5
87.00874	30.2
89.02449	33.7
95.01403	2.6
97.02950	9.3
98.19866	3.4
99.00871	8.1
99.04511	2.3
101.02470	7.5
101.47120	1.4
109.52338	1.2
113.02462	3.5
117.01942	4.4
124.12215	1.2
125.02466	6.6
131.03511	12.0
135.04521	1.3
141.01944	1.8
143.03523	7.5
151.04041	1.4
159.02980	2.9
161.04552	41.1
179.05614	84.3
180.05882	1.2
184.25441	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0561
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
53.76018	0.7
55.01888	1.2
57.03437	3.2
58.00600	4.1
59.01380	84.9
59.55157	0.6
60.01735	0.6
61.47779	0.6
69.03464	2.0
71.01382	59.6
71.05016	2.0
71.54782	1.2
72.01717	1.0
72.99308	14.4
72.99686	1.2
73.02953	10.3
75.00873	100.0
77.39541	0.6
80.94279	0.6
81.03448	9.6
83.01382	3.9
84.02176	1.4
85.02950	29.7
87.00880	11.2
87.04518	0.7
89.02446	37.8
90.02808	0.7
95.01377	1.3
96.96042	2.5
97.02972	6.0
99.00879	4.1
99.01427	0.7
99.04524	2.6
100.40160	0.6
101.02457	4.9
113.02441	4.2
117.01914	0.9
125.02417	3.2
131.03513	12.7
143.03506	7.8
155.68858	0.6
159.02966	1.0
161.04561	35.4
162.04868	1.0
170.27104	0.5
179.05608	74.8
180.05928	1.9
192.84258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0458
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
51.67017	0.2
58.49926	0.3
59.01374	0.4
61.98845	2.2
69.03459	0.5
70.09699	0.9
71.01393	0.4
72.01721	0.4
83.05020	0.5
89.02460	0.3
92.05060	4.2
93.03468	0.4
94.02969	1.3
95.03816	0.3
96.04572	0.3
96.96001	0.5
97.02950	0.4
103.63102	0.3
108.04557	53.4
109.04195	0.3
109.04911	1.2
110.02492	0.4
110.06114	0.7
111.04522	0.7
112.05144	0.3
120.04562	6.1
122.02502	1.3
123.00862	0.3
123.03278	1.1
125.02442	0.4
136.04054	1.2
138.05617	100.0
138.90146	0.9
139.00375	0.3
139.05997	2.6
145.86198	0.3
152.03534	1.1
164.83986	0.3
167.03079	0.6
168.00652	0.4
175.15535	0.3
182.04581	21.6
182.89223	0.5
183.03038	0.8
183.04645	0.3
191.71140	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.9934
Annotation	Chelidonic acid
Peak:m/z	Relative Intensity
55.01880	35.6
67.01892	100.0
68.99802	3.4
69.41537	24.0
71.01375	6.4
83.01380	46.8
87.07006	2.8
89.51256	2.6
95.00804	5.5
95.01388	65.2
96.04549	3.1
97.02956	4.4
99.00878	9.2
109.02947	6.2
111.00885	40.2
118.35769	2.9
123.00903	4.1
124.01602	3.3
124.98775	3.5
137.02498	3.5
139.00366	45.2
139.05080	5.7
139.59319	2.7
153.01981	5.1
154.99849	32.6
168.00665	8.1
182.99341	96.2
183.02930	20.9
183.06526	4.6
202.41258	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	187.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
67.01893	22.1
69.03453	1.9
71.01375	2.0
71.10405	1.4
71.10763	1.0
83.01385	36.8
84.01685	0.8
97.30219	0.8
99.00872	1.0
99.04517	0.8
101.02446	1.3
110.01660	0.7
111.00879	55.7
112.01206	1.5
115.05537	100.0
116.05897	3.9
117.03470	3.4
125.09732	5.6
126.10046	1.2
130.37283	0.7
131.05101	0.9
141.86807	1.6
143.05035	7.5
144.04541	1.3
158.03683	2.1
159.04509	2.9
159.08162	3.3
168.88899	1.4
172.05296	1.0
187.04012	32.5
187.07574	3.5
187.09721	3.7
187.11499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.2
67.01893	22.1
69.03453	1.9
71.01375	2.0
71.10405	1.4
71.10763	1.0
83.01385	36.8
84.01685	0.8
97.30219	0.8
99.00872	1.0
99.04517	0.8
101.02446	1.3
110.01660	0.7
111.00879	55.7
112.01206	1.5
115.05537	100.0
116.05897	3.9
117.03470	3.4
125.09732	5.6
126.10046	1.2
130.37283	0.7
131.05101	0.9
141.86807	1.6
143.05035	7.5
144.04541	1.3
158.03683	2.1
159.04509	2.9
159.08162	3.3
168.88899	1.4
172.05296	1.0
187.04012	32.5
187.07574	3.5
187.09721	3.7
187.11499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	2.0
55.01879	5.4
59.01366	1.5
61.98830	9.9
65.00326	3.5
67.01875	0.9
68.99850	1.4
69.68494	3.4
71.01379	9.2
72.99311	0.9
73.02911	0.6
77.67760	0.5
79.99042	1.8
80.99825	5.1
83.01385	11.6
87.00851	0.5
87.92513	0.6
88.98702	0.5
90.97136	1.1
96.99296	2.3
97.06581	0.6
98.00132	0.8
98.89871	0.8
99.00882	100.0
100.01224	1.6
100.98798	1.4
108.99301	1.1
111.00892	3.4
112.98813	0.9
115.05538	63.1
116.05883	1.6
117.03465	2.0
122.89427	2.4
124.98800	2.2
125.06085	6.0
125.09727	5.0
125.99595	2.2
126.99475	1.1
127.00374	16.2
127.01305	0.8
127.03992	0.8
129.02005	1.2
132.98189	0.7
136.98805	8.0
141.01932	1.9
141.86819	38.5
143.05049	5.9
143.07120	0.9
144.04535	5.2
154.99847	4.2
157.01428	0.6
159.04478	0.5
159.87860	6.8
160.27568	0.5
168.88911	2.8
169.01427	6.7
173.00897	1.9
186.85580	1.0
186.95700	0.7
187.02448	7.7
187.04005	18.9
187.06003	1.9
187.09729	2.1
187.86081	2.8
188.04291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
59.01385	0.4
61.98832	2.8
64.84226	0.1
71.01396	0.4
71.56164	0.2
78.68602	0.2
85.02932	0.2
90.41888	0.2
96.99335	0.3
97.06606	0.5
99.00939	0.2
113.02382	0.2
115.05542	100.0
116.05878	3.0
117.03455	2.8
122.89421	0.5
125.02438	0.2
125.06076	0.3
125.09731	4.1
127.04013	0.3
131.05020	0.2
141.86826	11.2
143.05038	6.4
143.07133	0.2
144.04507	0.3
157.51747	0.2
159.04549	0.6
159.87886	3.5
168.88890	0.3
187.04012	26.3
187.09720	1.7
187.86113	0.5
188.04439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0354
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.03232	0.2
61.98829	0.2
65.99852	0.2
68.14589	0.1
69.83306	0.8
77.97913	0.1
96.06404	0.1
102.03488	0.6
116.05064	0.3
141.86826	1.0
144.04550	100.0
145.04892	3.4
159.03282	0.8
159.87921	0.2
188.03500	3.3
194.50601	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	189.0768
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
55.54313	0.5
56.02547	0.4
57.03440	2.7
57.96121	0.5
58.69420	0.5
59.01376	2.8
61.98812	0.6
69.85034	0.8
69.85442	1.4
70.74730	0.5
79.58436	0.6
81.08023	0.5
83.05031	1.2
85.02964	0.9
98.20570	0.9
99.08158	24.8
100.08494	0.7
101.06094	0.9
119.01371	0.7
119.04964	0.5
126.10142	0.5
126.49615	0.5
127.07654	26.6
128.07982	0.7
129.05582	100.0
130.05917	2.4
133.02954	0.5
143.86505	1.1
145.02983	0.7
145.08701	4.1
160.93330	0.5
161.02457	0.9
161.07175	3.5
171.06671	4.8
175.00409	0.6
176.30380	0.4
177.40001	0.4
189.01903	0.9
189.07700	34.7
189.09091	1.7
190.08067	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03451	6.7
59.01379	8.3
59.60045	0.4
67.01900	3.2
68.99802	0.8
69.03465	0.7
69.64627	1.9
69.65038	0.9
71.01383	15.0
72.99302	2.1
73.02940	2.2
75.00883	0.5
81.03454	1.4
83.01392	3.3
83.05028	1.2
83.62548	0.3
83.81315	0.4
85.02950	45.1
86.03291	0.7
87.00876	33.2
89.66063	0.4
93.03456	9.0
98.20619	0.8
99.00887	6.1
99.04525	1.0
101.02454	1.1
109.02959	2.7
111.00880	50.2
111.04481	2.7
112.01234	1.1
112.98810	24.2
115.00379	1.0
117.01897	0.4
118.17376	0.4
127.04016	5.4
129.01944	4.3
142.99872	0.8
171.02962	1.3
173.00865	0.8
173.04492	2.0
191.02069	5.2
191.05606	100.0
192.05936	3.1
197.51733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03451	6.7
59.01379	8.3
59.60045	0.4
67.01900	3.2
68.99802	0.8
69.03465	0.7
69.64627	1.9
69.65038	0.9
71.01383	15.0
72.99302	2.1
73.02940	2.2
75.00883	0.5
81.03454	1.4
83.01392	3.3
83.05028	1.2
83.62548	0.3
83.81315	0.4
85.02950	45.1
86.03291	0.7
87.00876	33.2
89.66063	0.4
93.03456	9.0
98.20619	0.8
99.00887	6.1
99.04525	1.0
101.02454	1.1
109.02959	2.7
111.00880	50.2
111.04481	2.7
112.01234	1.1
112.98810	24.2
115.00379	1.0
117.01897	0.4
118.17376	0.4
127.04016	5.4
129.01944	4.3
142.99872	0.8
171.02962	1.3
173.00865	0.8
173.04492	2.0
191.02069	5.2
191.05606	100.0
192.05936	3.1
197.51733	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
55.30504	0.2
57.03440	0.5
59.01372	0.9
59.85779	0.2
61.98841	0.5
67.01888	0.4
69.42547	1.5
71.01377	0.5
72.99297	0.3
73.02962	0.4
77.03955	0.3
81.03441	0.3
85.02951	5.7
87.00877	3.6
93.03444	1.6
98.19939	0.5
105.03461	0.2
109.02977	0.5
111.00886	6.6
111.04509	0.3
119.05037	1.4
121.02956	100.0
122.03284	3.2
124.42307	0.2
127.04025	0.6
129.01970	0.3
135.04539	0.4
145.75459	0.2
145.86197	1.3
147.04517	6.3
148.04887	0.2
154.99823	0.3
163.04051	1.1
163.87296	0.3
173.00975	0.3
176.01176	0.5
177.02008	0.3
191.01979	0.6
191.03529	9.2
191.05618	15.7
192.03999	0.3
192.05997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
50.13163	0.2
50.16123	0.2
53.24076	0.2
56.67384	0.2
57.03434	1.0
59.01376	3.4
60.99303	0.3
67.01901	1.4
69.03461	0.9
70.72138	0.3
70.72492	0.5
71.01385	2.5
73.02938	0.9
81.03460	1.2
83.05027	1.4
85.02950	29.0
86.03302	0.5
87.00876	5.4
93.03459	9.0
97.02969	0.2
98.20595	0.3
99.00896	0.3
99.04552	1.1
101.02454	0.3
108.02153	0.3
109.02950	1.7
111.00884	1.9
111.04530	2.3
127.03134	0.4
127.04013	5.1
129.33331	0.2
137.02374	0.3
147.04544	0.3
147.23279	0.2
149.02426	0.3
153.01897	0.2
155.03410	0.5
171.03015	1.4
173.04517	2.1
175.00372	0.4
191.05605	100.0
192.05927	2.9
192.07471	0.3
199.20718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03445	1.8
59.01375	4.7
61.98814	0.9
67.01881	1.3
68.99793	0.4
69.03443	0.7
69.97778	1.0
71.01380	4.0
72.72212	0.3
72.99303	0.7
73.02946	1.4
77.89434	0.3
78.48907	0.3
78.54648	0.3
81.03452	1.1
83.01387	0.4
83.05019	0.9
85.02952	29.2
86.03285	0.5
87.00875	9.4
93.03458	8.7
98.20495	0.4
99.00881	1.2
99.04500	1.3
101.02455	0.4
109.02960	2.3
111.00156	0.6
111.00887	7.1
111.01653	0.4
111.04528	2.6
112.98807	2.6
113.02446	0.6
115.89120	0.3
127.04012	4.5
129.01949	1.0
144.86600	0.5
145.86249	2.9
147.04517	0.3
163.87347	0.4
171.03008	1.3
173.04539	2.3
185.07713	0.3
191.05609	100.0
192.05925	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	193.0506
Annotation	5,7-Dihydroxy-4,6-dimethyl-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
58.00357	1.1
58.00597	14.0
59.01379	23.3
59.96465	0.9
69.60467	0.9
71.01392	4.9
71.31802	1.4
73.02934	2.2
74.46358	0.8
77.03955	1.3
85.02951	3.6
86.00061	6.2
87.00874	1.7
93.03463	57.1
94.03782	1.2
95.01402	1.3
95.05029	1.8
97.02934	1.3
99.00880	18.3
101.02425	2.9
105.03479	1.8
106.04233	1.9
107.05029	9.4
108.02145	1.6
119.05038	8.9
121.02951	2.7
121.67344	1.1
122.03672	1.0
123.04529	23.8
132.02193	4.6
133.02962	100.0
134.03778	9.1
135.04538	7.4
137.02515	1.1
137.06041	1.8
147.04507	3.0
149.06082	1.5
150.03384	1.0
161.04517	3.2
163.04048	4.5
165.05571	36.0
175.03961	1.8
178.02719	16.9
179.03096	1.2
193.01427	1.8
193.05069	23.0
212.62387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
59.01382	0.6
71.01398	0.7
71.32811	0.4
71.33144	0.3
73.02944	0.7
81.03468	0.3
82.36379	0.3
83.01400	0.5
85.02957	1.2
87.00873	0.8
89.03981	0.3
93.03497	1.4
95.01417	0.3
97.02991	0.5
98.28340	0.3
99.00875	0.5
101.02463	0.8
106.04263	1.4
107.43634	0.3
109.02975	0.8
111.00876	1.0
117.03501	0.8
121.02967	3.5
125.02393	0.4
133.02963	6.2
134.03741	100.0
135.04065	3.9
137.02446	18.8
138.02823	0.7
139.04001	5.7
149.02477	0.6
149.06081	20.3
150.03255	1.8
150.06447	0.4
155.03433	0.4
160.92863	0.3
161.04561	1.1
165.01866	0.8
165.09093	0.4
178.02707	58.6
179.03076	1.8
193.01372	0.9
193.05057	22.6
193.06989	0.9
194.05344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.8
60.01115	0.6
70.93730	1.3
71.01371	0.7
73.08720	0.5
85.02978	0.6
93.03475	1.7
101.40125	0.7
106.04274	0.9
109.03018	0.6
117.03464	1.1
121.02979	3.0
125.91302	0.5
133.02937	8.0
134.03741	100.0
135.04071	3.3
137.02443	16.4
139.03993	4.9
149.02507	0.6
149.06075	20.6
150.03238	2.2
160.48349	0.6
165.01860	0.7
178.02708	59.1
179.03069	2.3
193.05049	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	193.087
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
55.01867	0.3
59.01374	1.3
65.03952	0.3
69.03464	0.5
69.57955	1.5
71.01393	1.5
72.99285	0.4
73.02953	1.4
83.01369	1.1
85.02952	1.9
86.00101	0.4
87.00891	1.4
91.05553	0.3
93.03449	0.5
95.01385	0.7
95.05070	0.3
97.02963	1.0
99.00894	1.4
101.02457	1.9
107.01374	0.2
107.05053	1.1
109.02939	0.5
113.02467	0.5
115.04009	0.2
117.03503	0.3
119.05047	0.3
121.02967	1.0
121.06623	0.4
123.00878	0.3
123.04517	2.2
125.02446	0.8
133.02963	2.4
134.03749	6.2
135.04527	28.8
136.04854	0.8
137.02449	1.3
139.03998	0.3
141.01971	0.5
149.02437	0.5
149.06094	1.9
150.03204	0.4
155.03546	0.4
161.04546	2.1
163.04005	100.0
164.04358	3.2
164.15742	0.2
177.05577	0.4
177.79259	0.2
178.02827	5.8
178.06349	54.9
179.03235	0.3
179.06691	2.4
183.00504	0.3
193.01398	0.6
193.05072	3.2
193.07108	1.3
193.08672	5.6
198.99330	0.2
202.72536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0662
Annotation	Isosafrol glycol
Peak:m/z	Relative Intensity
54.82578	0.9
55.28405	0.8
58.00602	18.2
59.01389	5.4
61.98832	5.1
64.86698	1.0
66.83221	0.9
70.95455	1.5
71.01376	3.3
75.00866	2.1
93.03460	2.5
103.92036	1.1
107.04968	1.0
108.02206	5.8
109.02950	1.8
114.80033	0.9
121.02954	54.2
122.03762	26.5
123.04516	3.4
124.01661	2.2
134.03700	1.3
135.04539	1.8
136.01707	1.2
136.05295	1.3
137.02417	5.0
137.06117	2.3
139.03929	0.9
149.02435	2.4
150.03217	19.5
151.03957	3.2
152.91748	1.7
154.02736	3.2
160.84210	1.3
162.03212	2.3
163.03989	3.6
165.01924	9.6
165.05560	17.5
177.05510	1.3
180.04288	100.0
181.04617	2.8
195.03059	1.7
195.05128	1.3
195.06616	33.1
196.06947	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55785	0.4
75.00888	0.7
93.03494	0.3
97.02948	0.3
103.92046	0.3
107.01355	0.3
108.02181	1.8
109.02931	0.4
114.99868	0.2
121.02983	0.3
122.03742	9.1
123.04559	2.4
136.05299	0.5
137.02428	0.5
150.03224	100.0
151.03529	2.9
156.19061	0.3
162.03203	0.6
162.29350	0.2
163.00368	0.4
165.01924	1.2
165.05565	50.8
166.05956	1.6
180.04288	18.5
181.04654	0.5
192.86177	0.3
195.02989	0.7
195.04839	0.6
195.06624	12.8
196.07050	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0664
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.01632	0.4
57.03453	0.5
59.01361	0.6
59.40204	0.4
68.14652	0.4
69.39587	2.1
69.40008	0.7
70.48518	0.4
75.00906	1.1
76.82086	0.4
81.03453	0.5
81.26608	0.4
93.03450	4.2
95.01402	0.8
98.19843	0.7
103.92062	1.1
105.03440	0.7
107.05022	4.6
108.02161	0.7
109.02969	0.6
111.00919	1.5
119.05057	0.7
121.02956	7.0
122.03746	14.2
123.00887	2.3
123.04549	1.2
124.01679	2.5
125.02436	0.4
133.02983	1.5
134.03770	0.7
135.04543	1.1
136.01660	1.6
136.04268	0.6
136.05313	2.0
137.02452	1.7
149.02443	21.2
150.03226	100.0
151.03825	5.1
151.07658	0.6
151.11284	0.5
152.01201	0.5
162.03198	1.1
164.04788	3.7
165.01967	2.1
165.05566	82.2
166.05893	3.1
167.03447	0.7
180.04303	12.0
194.90503	0.4
195.02994	8.1
195.04933	0.7
195.06638	8.5
195.10255	1.2
195.13885	0.5
199.47430	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
61.98811	0.4
62.68637	0.3
69.82543	0.7
69.82967	1.1
75.39591	0.3
103.92037	0.6
109.06583	3.9
109.35844	0.3
111.08165	3.8
122.03701	0.5
123.00896	0.4
123.04491	0.4
125.09705	0.9
135.11787	0.6
136.05301	0.4
138.06860	0.8
139.07625	0.6
150.03181	0.9
151.04001	0.5
151.07776	0.3
151.11302	0.7
160.84212	20.5
165.05656	0.5
167.14420	6.7
176.89552	0.3
179.10767	5.6
180.04292	0.8
180.11304	0.3
195.06628	1.1
195.13893	100.0
195.81085	8.3
196.14240	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	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
61.98825	0.4
71.05014	1.2
71.47307	0.5
75.24761	0.4
95.05042	0.4
97.06593	15.9
98.06931	0.6
99.08152	4.8
109.06622	0.5
111.08210	0.6
112.85999	0.3
121.03008	0.4
122.03769	2.7
123.00845	0.5
125.02395	0.4
125.09720	0.8
126.03238	0.9
126.90552	0.8
137.09743	2.3
141.05537	0.4
151.11302	1.2
153.12852	100.0
154.13226	3.8
160.84256	2.1
162.83920	7.8
168.90814	0.4
179.10785	21.9
180.11140	1.1
182.02220	0.7
189.56851	0.5
195.94142	0.4
197.11852	6.5
197.80766	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	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78287	0.3
59.01379	100.0
60.01739	0.5
61.33199	0.3
69.78996	0.6
69.79385	0.8
113.04597	0.7
115.03864	0.3
157.02225	0.4
157.03548	6.5
158.03706	0.5
159.01440	1.8
186.59094	0.3
196.96658	0.3
201.02539	11.8
202.02682	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1497
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
59.01379	3.8
61.98824	0.9
69.03466	0.3
79.19795	0.3
85.02966	0.4
98.19876	1.0
99.92580	0.6
125.09745	0.7
126.09296	0.3
146.20842	0.3
149.19379	0.3
155.14417	5.9
159.01479	0.5
159.89441	0.3
164.83595	1.8
166.83319	0.7
183.13858	2.6
199.13388	0.8
201.02045	0.8
201.05536	1.7
201.14958	100.0
201.80215	0.9
202.15312	4.1
219.41841	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.5
55.38520	1.2
57.03444	4.5
59.01365	3.7
60.99297	1.8
67.01884	2.2
69.03457	81.3
70.69299	2.9
70.69634	2.1
71.01382	64.6
72.99315	7.8
75.00879	6.4
79.01891	24.3
83.01378	4.4
85.02950	10.6
86.22646	1.2
87.00878	14.9
88.04034	2.1
95.01389	8.6
97.02952	100.0
97.06579	5.1
97.56371	1.2
98.03307	1.6
99.00887	4.2
103.92043	2.4
107.22852	1.2
111.00861	4.5
113.02452	9.7
115.00376	11.5
115.07641	4.6
117.01906	1.2
123.00886	4.2
125.02451	4.5
127.00393	5.5
129.01965	7.8
132.54759	1.3
141.01927	18.0
141.05585	15.6
154.99843	1.2
159.02972	2.1
161.50365	1.3
162.54002	1.3
185.04544	12.4
203.01974	94.3
203.05574	5.4
204.02293	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.51391	0.6
67.06875	0.7
69.03451	1.0
69.77089	3.5
72.00912	23.0
74.02474	30.0
86.99535	0.5
88.03486	0.6
92.07515	0.6
97.02933	1.0
103.92039	1.1
116.05067	100.0
117.05415	3.7
129.05888	1.1
130.06616	2.8
132.08194	0.7
142.06625	26.3
143.07007	1.8
145.15080	0.6
152.71251	0.7
157.07602	0.7
159.09283	15.7
185.07230	0.8
186.05670	3.1
203.00235	0.7
203.01953	1.2
203.08266	55.2
204.08582	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56897	0.1
59.01377	3.4
60.01714	1.4
61.01798	0.4
61.98828	100.0
63.28955	0.1
69.84086	0.5
90.99711	0.1
98.20668	0.2
128.41655	0.1
131.66548	0.1
140.72247	0.1
141.60239	0.1
147.05370	0.1
160.03746	0.2
204.00003	0.6
204.02609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0877
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01880	1.6
57.03448	15.6
58.02988	1.0
59.01379	10.3
61.98837	5.4
68.79598	0.6
68.99829	1.9
69.03497	0.8
70.03802	1.0
71.01382	38.9
71.03606	1.9
72.00917	2.3
72.01715	0.9
72.04550	0.9
72.99301	5.3
73.02961	1.6
74.02480	1.6
75.00874	7.0
83.01389	2.0
83.05079	0.8
84.04537	1.8
85.02953	12.0
87.00875	6.7
87.04484	0.8
88.04043	87.4
89.04364	0.7
96.99359	0.9
97.02986	1.7
98.03270	0.9
99.00896	4.1
101.02451	1.4
102.05615	12.9
102.40894	0.6
111.00901	3.9
112.98772	0.9
115.00389	11.0
115.04007	1.8
116.03559	0.7
117.01958	1.7
124.98843	1.8
125.02451	2.7
127.00373	1.7
129.01973	1.5
132.06668	100.0
133.07018	1.9
142.99883	2.4
145.01442	1.8
154.99860	1.9
175.02452	0.8
204.02370	2.2
204.06769	1.1
204.08749	22.9
205.15863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52217	2.3
55.01867	8.3
57.03465	6.5
58.00565	3.6
59.01381	88.3
68.99820	11.7
70.96116	6.3
71.01385	91.8
71.44790	2.7
72.99314	51.2
73.02938	11.3
75.00874	33.2
83.01391	16.6
85.02950	7.6
87.00880	45.4
89.02445	9.8
96.99315	9.0
99.00879	45.1
101.02448	10.0
103.00372	8.6
111.00893	21.9
112.98818	36.1
115.00377	100.0
115.51891	2.4
117.01928	12.9
124.98826	16.8
125.02434	10.6
127.00365	13.7
129.01930	18.6
142.99854	23.0
145.01454	15.5
154.99835	14.8
173.00867	6.5
175.02481	7.7
205.03526	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.2
55.07918	2.8
56.52882	2.4
57.03448	7.0
58.00563	3.5
59.01380	84.5
60.99326	3.8
68.99811	12.2
70.66822	6.4
70.67162	4.3
71.01383	83.3
72.99310	49.2
73.02944	13.4
75.00872	37.3
78.01624	2.7
83.01392	20.3
84.99333	3.5
85.02950	9.0
85.35770	2.6
87.00879	44.0
87.02734	3.0
89.02450	17.4
96.99319	6.4
99.00886	52.2
100.98829	3.6
101.02456	8.9
103.00359	5.2
111.00876	24.9
112.98811	100.0
115.00376	85.9
117.01941	14.5
124.98805	12.3
125.02457	5.4
127.00361	10.4
128.71786	2.8
129.01926	18.6
142.99861	21.2
145.01434	16.7
154.99876	10.8
170.10083	2.6
173.00928	7.8
175.02469	6.9
186.28526	2.9
205.03587	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	205.0505
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-carboxynaphthalene
Peak:m/z	Relative Intensity
58.15407	1.0
67.68488	1.0
70.02182	5.0
71.01408	1.2
72.99305	1.4
91.05534	37.4
99.53245	1.0
115.00368	1.1
117.07108	84.4
118.07445	2.9
131.41591	1.0
133.06624	1.8
135.04538	2.6
161.06081	100.0
162.06413	3.1
199.71165	1.0
205.04987	5.8
215.30005	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
53.27955	0.2
55.25681	0.1
59.01368	0.2
63.93007	0.1
71.01382	0.2
71.44626	0.3
72.99295	0.2
77.18597	0.2
111.00817	0.2
115.00375	0.2
162.89305	0.1
189.12857	1.5
205.15964	100.0
206.16301	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02977	37.6
65.45462	0.7
70.02978	13.9
71.10677	1.4
72.00901	7.7
91.05534	15.7
103.05543	2.1
135.04532	1.0
147.04527	40.6
148.04852	1.6
162.09230	1.3
164.07166	100.0
164.37325	0.7
165.07515	4.0
192.77443	0.8
206.08226	34.3
207.08473	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30824	0.6
58.02975	36.2
59.01358	1.1
59.03310	0.8
69.97233	2.7
70.02975	12.7
72.00909	6.4
79.95717	1.7
91.05540	10.2
92.35923	0.7
103.05553	1.0
116.42709	0.7
119.05023	0.8
135.04544	1.5
136.01642	1.2
143.05046	2.4
147.04526	38.9
148.04837	1.5
148.07681	1.1
151.00427	1.1
162.09143	0.7
164.01144	2.5
164.07162	100.0
165.07526	2.6
177.01950	3.2
179.03516	2.6
192.04301	3.9
206.08228	38.7
206.99385	1.0
207.01184	6.9
207.02968	1.3
207.06619	1.2
207.08516	0.9
209.28397	0.6
210.45444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.2
61.98830	100.0
62.98524	0.2
65.72377	0.1
66.03482	0.1
70.72214	0.2
81.14151	0.1
94.02998	0.3
124.51116	0.1
137.36746	0.1
146.97072	0.1
149.02415	0.2
162.98463	1.6
164.96396	0.2
177.01984	0.5
192.04272	0.5
193.82887	0.1
206.97443	6.7
207.06604	0.2
207.97566	0.3
208.06178	0.1
221.63190	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	207.0662
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
59.01385	0.3
61.98823	1.4
71.19237	0.5
71.34240	0.2
94.02980	0.8
95.05012	0.6
105.03458	4.9
123.04515	0.5
133.02956	35.9
134.03258	1.5
141.84215	0.3
149.02411	2.3
151.04007	0.5
160.01674	0.3
164.04770	2.9
164.07056	0.3
165.05043	0.3
177.01923	13.9
178.02335	0.4
192.04276	100.0
193.04613	3.6
207.06616	17.1
207.13876	1.0
208.06792	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03190	0.8
57.03451	10.3
58.00593	0.5
59.01380	15.0
61.98822	1.5
65.09889	0.4
67.01899	0.9
68.99814	1.8
69.03455	0.7
69.63392	2.7
71.01381	33.0
72.99309	7.3
73.02949	1.7
75.00871	5.4
79.01894	0.7
79.28435	0.4
80.02682	0.7
80.96513	0.8
81.03458	8.1
83.01385	8.0
84.02165	3.4
85.02951	100.0
86.03284	1.8
87.00881	4.0
89.02446	12.5
90.64415	0.5
93.03443	2.7
94.02985	1.0
95.01392	0.7
95.03330	0.4
95.05027	17.8
97.02959	2.4
98.19883	0.7
99.04518	3.7
101.02457	1.0
103.00390	2.1
105.03455	1.0
107.01387	0.5
108.02200	0.9
109.02943	1.2
109.06629	0.6
111.00890	1.4
115.00352	2.3
119.05015	0.9
121.02956	6.7
122.03757	3.7
123.00870	0.4
123.04525	10.0
124.04055	0.9
125.02445	12.7
129.01935	5.7
133.01440	13.9
135.04538	1.4
137.02477	1.2
137.06079	18.6
138.06464	0.7
139.04036	2.4
141.05582	1.4
146.41614	0.5
147.03017	2.6
147.04532	1.0
149.02434	1.3
150.03204	1.2
151.00365	0.5
151.04002	1.7
155.39081	0.4
161.02495	2.4
163.04013	0.6
165.01924	1.5
165.05571	4.4
166.02737	0.6
167.03503	17.7
168.03810	1.0
176.04773	1.4
179.03528	5.1
181.05080	2.9
191.01985	13.2
191.03535	0.7
193.01341	0.7
194.02213	1.8
194.05826	4.1
209.02975	22.0
209.04597	30.5
209.08261	1.8
209.11853	1.3
210.04927	1.2
226.20723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0302
Annotation	D-mannaric acid
Peak:m/z	Relative Intensity
53.25376	0.4
54.78046	0.3
55.01869	1.9
55.43611	0.4
57.03448	11.4
58.00579	0.7
59.01378	14.6
61.98822	0.8
68.99816	1.1
70.92895	0.8
71.01382	32.6
72.17883	0.4
72.99316	6.9
73.02940	0.6
75.00874	4.2
83.01406	2.5
84.02161	3.2
85.02950	100.0
86.03293	1.2
87.00871	3.2
89.02444	11.7
93.03458	1.2
94.02988	0.7
99.00870	0.4
101.02448	0.8
103.00372	2.6
107.05023	0.5
109.02983	0.4
111.00874	0.8
115.00384	1.8
121.02946	2.8
121.06534	0.4
123.04550	0.6
124.04050	0.8
125.02467	0.7
129.01961	5.0
133.00441	0.8
133.01430	12.9
134.01730	0.5
135.04533	0.6
137.02443	1.0
147.02983	3.4
154.92499	0.3
164.94183	0.6
165.05545	1.1
179.03490	0.9
191.01978	12.4
194.05852	0.7
209.02997	28.2
209.04570	1.6
209.11772	0.8
210.03372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
55.01873	1.2
59.01378	1.0
60.45018	0.8
67.53709	0.9
71.01363	2.4
71.56245	1.1
72.99323	0.9
73.02928	2.6
75.27060	0.8
77.03984	1.5
78.95905	1.7
79.49960	0.8
83.01380	1.2
83.04971	1.0
85.02940	1.1
85.88519	0.8
87.00845	1.0
91.01897	1.2
91.05533	44.5
92.05877	1.6
93.03474	4.9
94.03009	2.0
94.03746	1.3
95.05016	2.7
105.03455	9.2
109.02961	1.1
115.18037	0.8
117.01913	1.9
117.03439	4.2
119.05010	2.9
121.02959	51.3
121.06596	2.1
122.03159	1.3
122.03807	1.6
123.04510	2.2
124.01649	1.1
124.04020	2.1
125.02450	8.6
132.02103	1.0
133.02956	46.2
134.03439	0.9
135.04515	10.7
137.02452	8.1
147.04510	11.7
149.02452	6.4
149.06081	1.4
150.03227	100.0
151.03621	4.7
153.01935	23.3
155.03455	3.8
157.92535	0.9
158.89993	0.9
161.02423	6.0
163.04004	9.7
163.07599	2.1
165.01945	1.4
165.05571	26.8
166.02634	2.8
176.04774	3.7
177.01859	1.7
178.99939	1.0
179.02057	1.3
179.03506	14.5
181.01369	1.4
191.07182	4.7
194.02191	80.2
194.05847	10.5
195.02562	2.7
209.01338	1.4
209.04565	50.3
209.08168	55.1
210.04922	2.4
210.08549	2.8
227.77916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	2,4-Diacetylphloroglucinol
Peak:m/z	Relative Intensity
55.01882	1.7
57.03450	8.2
59.01384	10.1
61.98829	3.3
62.32489	0.7
65.00324	1.6
65.03960	0.7
65.75684	0.6
67.01885	2.6
67.07750	0.6
68.99818	3.0
69.03465	2.4
69.60494	4.8
71.01384	15.2
71.05009	1.1
72.84164	0.7
72.99303	3.9
73.02956	2.3
75.00883	1.3
77.03976	1.0
79.01891	2.0
79.05555	0.8
79.60647	0.6
79.95754	0.6
80.02683	2.8
80.96537	1.4
81.03456	24.0
82.03784	0.7
83.01383	20.6
84.02168	1.9
85.02952	48.9
87.00898	2.5
89.02452	4.4
91.05534	0.8
93.03458	5.5
94.03007	1.3
95.01411	1.0
95.05030	53.9
96.05389	1.2
97.02944	9.4
99.04532	12.3
101.02421	0.9
103.00374	1.6
105.03472	2.8
107.01403	1.2
107.05019	1.5
108.02173	1.9
108.54876	0.6
109.02948	2.0
109.06615	1.6
111.00935	0.8
119.05019	2.4
121.02959	13.7
121.06618	1.1
122.03753	13.6
123.00926	0.8
123.04536	26.9
124.04079	1.6
125.02448	36.7
126.02815	0.9
129.01973	2.1
133.01424	6.5
135.04523	2.3
137.02492	1.7
137.06084	51.9
138.06415	1.7
139.04002	9.6
141.05594	4.4
147.02980	1.7
147.04523	2.8
149.02460	2.1
150.03247	0.9
151.00401	1.3
151.03993	3.2
161.02438	5.9
163.04005	1.2
165.01941	2.9
165.05566	12.6
166.02701	0.8
167.03494	60.9
168.03841	2.4
176.04720	3.3
179.03496	10.6
181.05054	9.2
191.00323	1.2
191.01971	6.7
191.03481	1.4
193.01410	1.4
194.02203	1.6
194.05846	8.8
195.23888	0.7
206.90108	0.8
209.03006	8.4
209.04587	100.0
209.08209	4.3
209.94870	1.2
210.04939	3.7
223.92395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42592	1.1
56.20291	0.8
57.03443	1.6
58.62347	0.9
59.56333	0.8
61.98835	0.9
68.69079	1.0
69.72169	5.9
71.01373	3.3
72.99308	3.1
73.02940	3.0
77.03941	0.9
78.95898	2.5
81.03452	1.6
83.01391	2.1
85.02949	1.8
87.00876	1.9
91.01897	1.4
91.05537	84.8
92.05839	2.2
93.03456	3.8
94.02992	2.0
95.01387	1.2
95.05051	2.4
97.02908	1.1
98.20642	1.4
105.03452	4.8
105.55823	0.9
109.02944	1.6
116.98515	0.9
117.01892	2.7
117.03461	6.8
119.05048	4.7
120.02174	1.9
121.02959	59.3
121.06552	1.0
122.03276	2.0
123.00861	1.4
123.04465	1.5
124.04016	2.7
125.02451	19.8
132.44899	0.9
133.02971	23.4
135.04523	17.5
137.02452	6.0
137.06065	1.2
147.04524	21.4
149.02432	5.8
149.06085	1.6
150.03230	70.8
151.00378	1.2
151.04008	4.7
153.01962	16.7
155.03511	3.4
161.02461	4.7
163.04022	18.6
163.07626	4.3
164.04485	1.0
165.01935	1.9
165.04184	1.6
165.05573	31.1
166.02672	2.6
167.03435	1.2
169.99098	1.0
176.04805	2.4
177.02037	0.9
179.03508	12.3
181.01450	1.6
191.07118	5.7
194.02196	59.8
194.05807	8.2
195.02557	2.6
200.94144	0.9
209.01151	1.9
209.04611	40.7
209.08173	100.0
210.04816	1.6
210.08498	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	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73322	0.3
53.19735	0.3
59.01387	0.7
61.67162	0.3
61.98837	0.4
63.96243	0.5
66.01118	0.7
67.01926	0.3
70.89066	1.1
71.01392	1.2
72.99341	0.4
73.02942	0.7
77.03976	0.4
81.03490	0.6
83.01408	0.7
85.02956	0.8
87.00867	0.4
91.01879	1.8
91.05534	19.9
92.05872	0.4
92.31089	0.4
93.03493	1.9
94.03017	0.4
95.01365	0.8
95.05013	0.6
97.02963	0.6
108.02226	0.5
108.99514	0.3
109.02953	0.8
117.01984	0.7
117.03478	1.6
119.05015	1.0
120.02183	2.6
121.02958	100.0
122.03254	2.9
123.04510	1.6
124.04042	0.6
125.02432	1.0
135.04524	3.2
136.01666	1.9
137.02454	1.7
137.06082	0.7
138.03201	0.6
139.04048	0.6
147.04527	4.0
149.02467	0.4
151.03970	0.9
154.57959	0.4
158.61444	0.4
163.04001	4.7
163.07642	1.2
165.01910	0.4
165.05568	4.4
166.02686	1.4
167.03442	0.8
170.71877	0.3
178.99782	0.3
179.03465	1.9
180.04356	0.4
181.05042	2.9
191.03503	0.7
191.07114	1.2
193.01453	0.4
194.02197	0.8
199.04419	0.4
209.04584	18.4
209.08171	21.3
210.04977	0.5
210.08492	0.9
215.93932	0.3
216.32635	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94837	0.4
57.63800	0.4
59.01368	0.8
61.98823	0.5
63.10812	0.4
67.01870	0.5
71.04834	0.8
82.64621	0.4
82.65152	0.4
85.02960	1.4
91.01888	1.6
91.05590	0.5
93.03465	1.3
94.02985	0.6
95.01357	0.5
95.05030	1.3
105.03463	4.9
108.02203	0.8
109.02981	0.6
118.28023	0.4
120.02179	2.1
121.02959	100.0
122.03272	3.1
123.04545	0.9
124.04039	0.5
133.02937	3.1
133.06859	0.5
135.04593	0.6
136.01671	0.7
137.02446	0.7
146.03777	0.5
147.04553	0.5
148.05452	0.4
149.02440	1.0
150.03223	8.9
151.04005	15.3
153.01944	1.2
161.02441	39.5
162.02858	1.6
165.01936	0.7
165.05588	2.1
176.04785	17.6
177.05115	0.8
179.03494	55.7
180.03860	2.3
181.05092	0.6
191.07138	6.0
194.02219	6.4
194.05835	48.2
195.06134	2.0
195.25363	0.4
209.04584	14.7
209.08163	12.9
209.11508	0.4
210.04993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95244	0.4
52.24561	0.4
61.98834	2.0
67.01903	0.6
81.03499	1.2
85.02940	0.6
93.03481	0.8
95.05059	0.7
107.05039	1.6
108.02168	0.5
109.02982	0.6
120.02187	0.6
121.02961	22.2
121.06589	2.4
122.03491	0.5
123.04543	5.0
124.04043	0.7
125.02386	0.5
135.04524	0.6
136.01685	0.8
137.02434	0.8
137.06041	0.5
151.04010	28.8
152.04343	1.0
161.02467	2.0
165.01959	0.6
165.05594	2.1
176.04785	0.8
179.03506	100.0
180.03825	4.3
191.07092	0.5
193.05132	1.1
194.05849	98.7
195.06212	4.0
209.00827	0.5
209.04813	4.0
209.08186	26.7
209.11771	1.0
210.08513	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90451	0.6
55.48962	0.6
59.01377	2.6
61.98831	53.4
65.00311	1.0
66.03497	1.0
69.41102	4.9
73.95757	0.7
76.64418	0.7
77.03967	1.2
80.39650	0.7
81.03448	0.7
91.01878	1.7
92.99838	1.1
93.03471	4.5
94.02986	4.5
95.01373	0.9
95.03311	1.2
95.05013	1.5
96.95987	0.6
99.96317	0.7
105.03455	6.6
107.05021	1.0
108.02171	0.7
109.02964	1.3
109.95971	0.7
120.02190	1.6
121.02959	100.0
122.03294	1.5
123.04428	1.2
124.04077	7.6
133.02960	3.7
135.04578	1.0
136.01649	1.0
136.98849	0.8
137.02478	1.3
137.06088	1.5
139.00395	1.0
151.04016	22.5
158.68831	0.6
161.02458	43.3
162.02812	1.6
165.05556	0.8
176.04802	19.0
179.03508	67.1
180.03836	2.2
180.37213	0.9
189.20709	0.7
190.99841	1.0
191.07129	8.1
194.05846	56.7
195.06139	1.5
209.01146	3.6
209.04602	11.2
209.06467	1.3
209.08179	16.5
209.11862	2.2
209.94917	18.1
210.08171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.32483	0.5
57.03447	3.1
59.01379	100.0
62.71914	0.5
71.53880	0.6
72.27487	0.8
81.03474	1.4
82.73437	0.6
93.03456	0.9
94.02988	1.0
97.06576	3.8
102.73756	0.6
109.06591	3.4
117.40600	0.7
121.02950	14.8
124.04069	1.8
137.06104	0.7
151.03937	0.6
151.31737	0.5
161.02477	0.7
165.01921	0.7
165.12859	4.5
179.03477	1.1
194.02145	0.6
194.05867	0.7
209.04599	2.2
209.08351	0.7
209.11801	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01887	3.0
57.03448	1.9
59.01386	3.0
61.98831	37.7
65.00329	0.8
66.03472	0.8
69.03483	1.0
70.06304	2.7
71.01357	0.8
71.05007	0.6
80.02696	1.0
81.03474	4.5
83.01387	29.8
83.05032	4.4
84.02177	1.4
86.99632	0.7
91.01912	1.6
92.99811	1.2
93.03461	2.3
93.89552	0.6
94.02969	4.8
95.01399	1.0
95.03340	2.0
95.05037	2.1
97.02962	0.7
97.06598	4.7
98.20584	0.7
99.92612	0.6
107.05006	0.8
108.02177	1.1
109.01649	0.6
109.06599	0.7
109.65108	0.6
120.02156	1.4
121.02959	100.0
122.03302	2.4
123.04604	0.7
123.08166	2.6
124.04057	8.2
125.02435	0.9
125.09726	26.1
126.10045	1.2
135.04558	1.2
135.08170	2.5
136.01692	1.4
136.98854	0.6
137.02466	0.9
137.06062	1.5
147.11832	1.2
151.04059	0.8
161.02473	1.3
163.11284	11.8
164.94089	0.7
164.98293	0.7
165.01871	1.0
165.05556	0.7
165.12851	2.9
176.04776	1.3
179.03517	2.6
179.05270	0.6
181.05020	0.6
181.12337	1.9
190.99857	1.1
191.10751	7.7
194.02206	1.2
194.05867	2.2
209.00925	2.4
209.04573	13.3
209.06355	1.4
209.11823	94.1
209.94913	10.6
210.07654	0.7
210.12134	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	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75426	0.1
59.01376	0.4
61.98831	100.0
62.98527	0.2
66.41463	0.1
70.36874	0.5
74.40204	0.1
78.95920	0.2
90.16887	0.1
91.92126	0.2
94.03004	0.5
103.92059	0.2
122.03307	0.2
124.04036	1.6
134.03691	0.1
137.76416	0.1
153.92183	0.2
156.93886	0.2
164.96387	0.4
166.91080	0.5
200.98373	0.1
209.94897	27.5
210.07677	0.2
210.94971	1.4
211.13463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0249
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
51.50713	0.3
59.01382	0.8
61.98836	0.9
63.02400	3.7
65.00324	18.0
81.03475	0.8
83.01386	8.8
107.01392	26.0
108.02225	2.4
108.99366	0.5
117.70150	0.3
121.02995	0.3
121.62310	0.3
123.08163	2.7
125.09715	0.4
136.05292	0.6
139.04059	0.3
151.00369	100.0
151.07623	4.2
152.00697	2.9
153.05724	0.4
159.60173	0.3
164.98244	0.5
165.09192	1.7
169.01433	1.1
173.57846	0.3
178.99855	5.3
181.08705	0.7
183.02997	0.9
186.12790	0.3
193.08673	1.4
211.02470	18.7
211.09662	1.5
211.13374	1.7
212.02853	0.7
229.41339	0.4
233.64078	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0612
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
59.01374	4.6
61.98829	6.9
71.54391	1.4
76.33407	0.9
78.95913	3.5
85.02959	1.1
93.03461	1.0
94.02986	1.2
95.01370	3.9
97.47815	0.9
107.04337	1.0
107.05018	2.3
108.02180	9.7
109.02960	16.1
120.02176	13.4
121.02978	1.7
123.00854	2.8
123.04523	8.0
125.02438	4.2
135.04520	2.3
136.01656	3.9
137.02429	2.5
138.03195	2.1
138.06491	1.0
148.01669	94.5
149.02171	3.3
151.03983	1.6
152.01126	1.6
153.05576	94.8
154.05942	3.3
155.03331	1.0
160.44469	0.9
163.04007	96.8
164.04399	3.0
165.01949	3.9
166.02711	8.3
166.91040	3.8
166.93921	0.9
178.02713	1.1
179.03523	2.7
181.05066	100.0
182.05415	4.5
196.03778	9.7
211.06119	31.2
211.08116	1.7
211.13356	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	211.134
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
52.88960	0.2
61.44953	0.2
61.98830	4.6
69.03461	0.8
73.02940	0.2
81.03526	0.2
83.05026	0.6
93.03465	0.6
95.01382	0.3
107.55390	0.3
121.92284	0.2
123.00865	0.2
137.02463	0.2
153.05539	0.2
153.85017	0.2
155.10706	0.4
164.98343	0.3
165.12880	0.3
167.08531	0.3
167.10779	0.7
167.14424	1.7
168.14647	0.2
181.12381	0.2
183.13908	15.7
184.14304	0.7
193.12317	3.7
210.94933	0.7
211.13391	100.0
211.94698	0.4
212.08611	0.2
212.13733	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	211.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
59.46442	0.4
61.98840	4.3
69.03455	0.7
71.03859	0.8
83.05028	0.7
95.01415	0.6
98.20578	0.5
111.00895	0.4
155.10756	0.5
165.12825	0.7
167.10764	1.0
167.14400	1.5
183.13898	15.4
193.12338	4.9
204.82137	0.4
210.94986	0.7
211.13391	100.0
212.13748	4.9
233.07291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0557
Annotation	ACMC-20ddog
Peak:m/z	Relative Intensity
54.94581	0.2
55.55212	0.2
61.98838	0.2
64.18282	0.2
88.50298	0.3
97.02972	0.2
109.92705	0.2
124.62533	0.2
129.07037	0.2
157.06557	1.3
167.05014	2.7
168.05457	0.3
169.06621	0.4
169.12422	0.3
171.04529	1.4
182.03815	0.4
183.04491	1.9
183.13911	0.5
184.05260	1.3
185.06075	16.5
186.06425	0.6
195.04520	6.0
195.13895	0.3
196.05273	6.5
197.05762	0.3
198.03209	5.1
210.03188	0.9
211.04007	13.4
212.04773	12.0
213.05565	100.0
213.14853	1.4
214.05931	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	213.0557
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
61.98835	2.3
65.57919	0.3
81.03464	0.6
85.68179	0.3
93.03458	100.0
94.03795	2.0
118.92420	0.9
120.89894	1.1
124.66292	0.3
125.02393	0.5
126.55043	0.3
149.02368	0.4
167.04938	0.3
169.06590	10.1
169.15904	0.5
170.06946	0.5
176.98331	0.5
183.13925	1.0
194.99326	0.8
195.13933	1.3
197.99126	0.9
203.68382	0.3
204.44389	0.4
213.01859	1.0
213.05574	15.6
213.14972	11.6
213.18436	0.6
214.05807	0.6
214.15324	0.5
214.57938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
52.63523	1.7
55.01862	3.3
57.95369	1.4
59.01376	6.3
61.49175	1.5
61.98832	6.9
69.03458	14.6
69.36934	12.7
71.01390	7.4
71.05026	28.9
83.05035	1.7
93.03466	3.1
95.01392	2.1
97.02929	3.6
97.06612	10.9
98.03727	22.5
99.04519	5.2
101.27807	1.6
107.05053	2.2
108.98758	1.9
113.09726	24.9
115.07652	30.0
118.92433	10.4
120.89921	7.3
125.09718	8.8
127.11297	25.6
128.11612	2.2
141.03461	1.8
141.09102	2.0
151.11285	100.0
152.11618	4.3
154.09956	1.6
169.06572	2.4
169.08730	2.3
169.12338	23.8
183.13924	6.7
184.90190	3.2
185.06044	1.7
194.99379	2.3
195.10245	3.1
195.12079	2.2
195.13911	6.1
198.06807	1.8
212.91116	2.3
213.05562	3.4
213.09238	3.8
213.11322	60.5
213.14905	35.2
213.18370	3.2
214.11670	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	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
50.52816	0.6
61.98820	2.1
95.01352	0.7
97.02944	0.6
98.19860	1.7
100.04878	0.6
114.89722	0.6
120.89878	1.9
169.12349	0.9
170.82269	0.6
176.98460	0.7
183.13905	31.1
194.99319	1.2
195.13899	24.3
196.14160	0.7
197.99019	0.9
203.43768	0.6
211.13440	0.7
212.90965	0.7
213.01917	1.3
213.05545	1.5
213.14960	100.0
214.01328	0.8
214.15257	4.7
229.84727	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19646	0.4
59.01379	100.0
60.01715	0.8
72.42482	0.4
77.63927	0.4
90.97141	1.5
93.65249	0.4
109.06196	0.4
118.96655	0.5
132.98186	2.6
141.84512	0.5
174.99260	28.1
217.00307	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	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.6
59.01379	100.0
60.01710	0.8
60.66494	0.4
61.60236	0.3
61.98824	2.2
62.43776	0.4
67.01909	0.4
68.99779	0.4
69.88445	2.2
70.26518	0.4
71.01386	3.0
71.05030	0.7
72.99310	1.3
73.02927	0.4
73.04072	1.3
79.87312	0.4
83.01376	0.6
85.02944	4.0
87.00883	4.1
88.04042	6.0
89.49430	0.4
90.97152	1.7
93.03452	0.6
96.96028	0.8
98.19914	0.6
99.00888	0.4
99.04505	0.6
101.02475	0.7
111.08164	0.6
114.05587	0.7
115.00385	2.6
115.03999	0.7
118.96614	1.0
124.89125	13.8
124.98808	0.4
130.08736	13.2
132.98196	3.6
143.11885	4.0
146.08243	3.5
155.07132	0.7
157.01431	3.1
170.88403	1.5
174.99242	24.8
175.02428	1.1
175.99602	0.5
187.10875	15.8
188.89479	7.3
189.96750	0.4
202.02676	0.5
217.00279	21.0
217.03537	0.9
217.05179	0.7
217.07063	1.6
217.12053	6.8
218.00699	0.8
218.10297	1.2
218.98149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.5
57.03448	6.0
58.00592	1.2
59.01380	100.0
67.01884	3.4
69.55186	2.6
69.55598	5.4
71.01386	19.5
72.99319	3.3
73.02942	4.9
82.35735	0.9
83.01389	43.3
85.02953	25.9
87.00878	27.9
95.01379	2.0
99.00887	7.6
112.98792	1.5
113.02449	3.5
115.00377	43.0
124.89082	1.3
127.00387	4.5
129.01958	3.1
157.01430	22.6
175.02473	69.9
176.02850	2.0
217.01535	2.1
217.03488	19.6
217.05347	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46544	0.5
57.03440	1.2
59.01380	100.0
60.01717	1.2
61.98833	3.5
67.01903	1.1
69.46326	4.5
71.01379	7.2
71.05017	1.8
71.93196	0.5
72.99319	1.4
73.02959	0.6
83.01395	1.8
85.02953	22.0
87.00878	19.2
88.04038	9.2
90.97140	0.7
99.04552	0.6
111.00908	0.6
112.98837	1.5
115.00377	15.5
118.96690	0.7
124.89121	19.2
129.01932	3.2
130.08752	3.6
132.98224	1.2
143.11937	2.0
146.08208	4.7
157.01431	15.2
157.02681	0.9
170.88417	3.1
174.99248	11.7
175.02463	6.2
187.10869	4.2
188.89470	8.4
189.05650	0.5
216.87701	0.7
217.00287	11.5
217.03435	5.4
217.12109	0.9
218.00607	0.8
218.10341	2.6
233.97234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1193
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
51.36794	0.4
57.03443	0.8
59.01380	100.0
60.01708	1.0
61.98818	2.5
66.25209	0.4
67.01906	0.5
69.03457	0.4
71.01385	4.4
71.05029	1.2
71.55192	0.7
72.99332	1.3
73.02945	0.6
73.04070	8.4
83.01401	0.9
85.02952	10.5
87.00874	10.7
88.04045	4.5
89.02446	0.5
90.97163	1.0
95.01375	0.4
97.95456	0.5
99.00885	0.8
111.00802	0.4
115.00378	7.3
118.96676	0.8
124.89124	11.7
127.00348	0.5
129.01927	2.1
130.08740	58.9
131.09079	1.7
132.98198	2.3
141.10367	0.7
143.11899	14.8
146.08241	1.6
155.11900	1.1
157.01414	7.8
170.88432	1.1
174.99240	19.4
175.02428	2.8
187.10873	68.6
188.11197	1.8
188.89478	5.8
199.10872	1.4
202.02715	0.6
217.00293	16.4
217.03328	2.5
217.05211	1.0
217.07222	1.1
217.11943	26.2
218.04434	0.5
218.10323	0.9
218.12204	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.8
69.90571	1.3
69.90961	0.8
71.01383	10.5
71.05021	20.6
72.00857	0.5
82.78344	0.5
85.02972	0.7
88.04041	100.0
89.04375	1.6
99.04520	6.9
116.07194	3.1
129.05569	0.6
146.08232	48.1
147.08598	1.5
148.34076	0.5
167.64912	0.5
175.07590	0.5
177.05569	1.3
218.10324	21.0
219.06613	0.5
219.10564	0.8
219.17513	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	219.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18897	0.8
59.01380	100.0
60.01691	0.9
75.00886	1.4
79.16913	0.8
98.20695	3.0
137.42557	0.8
219.02966	2.0
219.06650	1.9
219.10320	0.8
219.14198	1.7
219.17529	43.6
220.17879	2.4
230.34396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0978
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
50.47076	0.5
57.03447	1.3
58.02980	0.9
58.95335	0.4
59.01378	4.9
60.89698	0.5
61.98827	1.0
68.76163	0.5
69.24703	4.6
69.25020	0.7
70.02984	0.5
71.01387	1.2
72.00903	3.5
73.02952	0.7
74.02474	4.7
84.04546	9.4
91.05537	9.4
101.02489	0.9
102.80067	0.5
135.04495	1.1
161.04689	0.6
176.10733	1.2
178.08727	100.0
179.09090	4.1
183.13489	0.6
220.09778	28.6
220.17900	3.8
221.04523	0.9
221.10129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0455
Annotation	2-Hydroxy-4-hydroxymethylbenzalpyruvate
Peak:m/z	Relative Intensity
58.00592	9.9
59.01381	21.5
69.72053	10.3
71.01375	2.2
72.99309	4.4
83.44366	1.5
87.00868	22.3
88.97052	1.6
93.03457	45.9
99.00874	9.9
105.03492	1.7
106.04220	1.9
107.05020	9.8
113.99590	40.9
115.00388	21.0
119.05037	47.0
121.02988	2.3
121.06603	4.6
123.04534	23.6
130.04236	1.8
131.05074	3.2
132.02145	3.6
133.02960	100.0
135.04527	13.9
147.04518	29.7
149.06044	7.1
149.07208	1.6
159.04501	3.2
163.03998	10.3
165.05574	73.0
166.05963	2.7
175.03983	15.4
193.05083	30.1
203.03499	22.0
207.77383	1.7
221.04579	42.0
243.72932	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.1
57.03451	18.1
59.01380	9.8
63.90134	0.5
67.01881	1.2
68.99807	2.2
69.66376	1.7
69.66792	1.7
70.93275	0.5
71.01382	14.9
72.99311	4.9
73.02943	2.5
75.00873	5.5
83.01382	12.0
84.02162	2.7
85.02949	100.0
86.03295	2.0
87.00877	4.5
88.01655	0.9
94.02966	0.8
99.00872	1.5
101.02452	10.9
103.00374	2.5
103.03995	2.0
111.00879	48.4
112.01216	1.1
112.62381	0.6
125.02435	1.5
129.01942	27.8
133.05045	0.6
143.03482	1.0
147.02992	6.9
159.02910	0.7
161.04538	3.1
161.05994	0.8
165.01942	0.9
169.09062	0.5
173.00867	0.9
179.05521	0.8
181.12360	0.6
187.02455	2.7
193.01398	1.6
205.03516	37.3
206.03793	0.9
208.03860	3.7
208.07291	1.4
223.04550	34.5
224.04901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41476	0.6
55.01878	5.7
57.03448	19.1
58.22857	0.6
59.01382	10.5
67.01886	1.0
68.99814	1.4
71.01381	13.8
71.09911	1.3
72.99310	5.5
73.02949	2.4
73.03306	0.6
75.00883	4.8
83.01386	12.5
84.02182	2.5
85.02953	100.0
86.00087	1.0
86.03288	2.1
87.00883	4.1
88.01655	1.0
99.00900	1.5
101.02445	10.8
103.00359	1.1
103.03998	1.6
111.00884	44.2
112.01198	1.4
121.02952	1.5
125.02433	1.2
129.01955	27.2
142.14565	0.5
143.03461	1.2
146.03687	1.3
147.03030	7.0
149.02454	4.5
161.04530	2.7
161.05869	1.0
163.04071	0.7
164.04768	4.4
165.70216	0.6
173.00804	0.7
187.02449	2.5
203.05650	0.7
205.03531	34.0
206.03893	1.4
208.03796	1.2
223.04524	32.8
224.04878	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47578	0.5
53.77158	0.5
55.01882	6.3
57.03448	20.9
57.37975	0.5
58.00591	0.7
59.01380	11.0
67.01898	1.3
68.99819	1.7
69.52203	3.3
71.01383	16.1
72.99310	5.4
73.02956	3.7
73.71477	0.5
75.00874	6.0
80.59973	0.6
83.01383	11.2
83.92131	0.5
84.02176	2.6
85.02952	100.0
85.26477	0.6
86.03276	1.3
87.00864	3.9
88.01665	1.0
99.00869	1.3
101.02448	13.7
103.00359	1.6
103.04006	1.5
111.00883	46.5
112.01221	1.0
121.02874	0.6
125.02353	0.6
125.20179	0.5
129.01952	29.1
133.05072	0.9
139.76064	0.5
140.74496	0.5
143.03465	1.2
147.02988	5.8
161.04575	2.6
177.75562	0.6
179.07016	0.5
187.02458	2.5
187.46472	0.5
193.01425	1.0
205.03523	38.4
206.03853	0.9
208.03693	0.9
223.04568	32.4
224.04924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.11932	1.0
54.93811	1.0
57.03433	2.3
59.01377	7.9
61.98831	1.7
64.73245	1.0
69.03465	8.6
71.01375	1.3
71.05015	3.7
73.59859	0.9
74.99076	2.4
83.05014	2.6
85.06573	1.7
87.40701	0.9
91.05489	1.2
93.03487	2.0
95.05029	1.8
95.11711	1.1
98.19859	2.6
109.06534	1.3
149.09738	1.8
151.04027	2.2
163.04022	2.3
165.01912	1.5
166.06348	4.4
167.10767	10.5
176.98265	1.3
177.12889	1.8
179.07178	1.4
179.10793	5.1
179.14409	11.4
193.01416	3.1
195.13896	30.9
196.14241	1.7
205.12329	23.9
208.03696	3.8
223.02711	9.6
223.06052	5.1
223.13385	100.0
224.13765	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	225.1609
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
53.95442	0.4
61.98817	0.9
62.91836	0.4
71.56029	0.8
72.04570	0.6
73.13384	0.4
80.05064	0.7
81.03464	18.5
83.05027	89.4
84.05344	2.6
85.02962	1.8
87.00914	0.4
93.03455	3.6
95.01398	0.7
101.02452	0.5
107.06162	0.9
108.04547	1.5
111.00867	0.8
113.01305	0.5
121.02955	0.6
123.00859	2.5
125.02430	0.6
125.07224	4.4
137.02435	3.0
137.06128	0.6
143.08260	3.6
149.02420	0.5
151.00340	1.2
152.01041	0.6
153.01903	0.9
153.05516	0.5
154.12390	0.9
165.01965	2.1
166.12396	0.5
177.01945	0.6
180.04323	1.1
181.05118	0.6
195.02946	7.0
195.06647	1.3
207.10278	0.6
207.15034	12.0
208.15327	0.8
210.05316	9.2
225.04137	1.7
225.07619	5.4
225.16081	100.0
226.16432	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1859
Annotation	Myristoleic acid
Peak:m/z	Relative Intensity
59.01383	6.0
61.98833	3.0
65.00322	2.8
67.15262	0.5
68.99828	0.6
69.25016	4.4
71.01373	1.0
82.24186	0.4
89.38267	0.5
93.03458	8.5
98.19923	1.3
110.26740	0.5
126.90486	1.8
136.98817	1.4
137.02470	1.0
165.02007	0.5
195.03012	0.6
206.99382	0.7
207.10168	1.0
207.17560	1.9
208.97610	5.9
224.90552	1.1
225.00616	7.7
225.18596	100.0
225.92690	0.9
226.00620	0.8
226.18916	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50970	0.4
61.98831	11.0
71.01385	0.6
71.43333	0.4
71.55956	0.6
74.30914	0.4
77.23571	0.5
77.44196	0.4
82.84483	0.4
109.88327	0.5
124.04040	0.5
159.68806	0.4
165.12830	1.3
169.06577	0.7
181.06595	1.3
182.07367	12.0
183.07695	0.7
183.13889	9.8
184.05298	1.0
191.58385	0.4
196.05139	0.5
197.06076	4.7
198.06847	4.6
209.11841	0.6
215.68370	0.4
225.05528	2.2
225.92697	2.4
226.06349	100.0
227.03421	0.5
227.06702	5.3
227.12769	2.4
227.20119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0714
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
59.01369	0.2
68.73549	0.2
71.33898	0.2
71.55798	0.2
71.56174	0.2
112.98820	0.2
115.05455	0.2
141.07152	0.2
143.04991	0.5
155.04822	0.2
157.06607	0.9
159.06856	0.2
159.08153	3.7
160.08461	0.3
165.12877	0.5
168.05836	1.0
180.05759	0.5
181.06589	4.4
182.07329	1.9
183.08153	16.1
183.13835	1.3
184.08481	0.8
184.13376	0.6
185.06081	8.7
186.06456	0.3
199.07796	0.3
207.04474	0.3
209.06035	0.7
209.07898	0.2
209.11754	0.3
212.04710	0.2
214.02051	0.2
227.07133	100.0
227.20097	1.4
228.07475	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
55.53680	0.5
69.03452	0.7
70.67335	0.6
85.30802	0.5
111.08129	1.2
112.98811	0.7
137.02396	0.7
165.12842	17.7
166.13274	1.1
181.06540	0.8
183.08145	2.0
183.13895	100.0
184.14310	3.8
185.06081	1.4
209.11800	2.0
227.03612	1.1
227.07137	15.6
227.10710	1.1
227.12868	17.8
227.20129	3.5
229.33942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0868
Annotation	bis-(4-hydroxybenzyl)ether
Peak:m/z	Relative Intensity
62.15945	0.4
65.03958	0.9
67.01889	1.2
69.03432	0.4
70.30029	0.3
71.56339	0.4
74.44447	0.4
75.97351	0.3
77.37877	0.4
79.05536	1.2
81.03458	55.5
82.03790	1.0
83.01384	0.5
87.76995	0.3
91.57371	0.4
93.03464	7.1
95.01398	1.6
102.82161	0.3
106.04245	4.0
108.02162	3.5
109.02958	4.5
117.69782	0.4
122.03747	2.8
123.04527	100.0
124.01667	0.5
124.04854	2.5
125.02428	2.5
130.06345	0.4
137.02477	1.9
137.42570	0.3
138.03235	1.1
153.01955	0.9
172.07205	0.4
174.03441	0.3
179.12233	0.5
187.07584	0.4
229.04967	1.7
229.08687	61.3
230.09010	3.4
232.46957	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.087
Annotation	Pindone
Peak:m/z	Relative Intensity
53.90369	0.4
55.60111	0.4
61.98846	0.4
65.00312	0.7
65.03953	0.9
65.38589	0.4
67.01881	1.6
69.03450	0.4
71.01372	0.5
71.15998	0.9
71.16342	0.4
79.05522	1.2
80.49984	0.4
81.03457	53.2
82.03810	1.4
83.01377	0.6
93.03457	5.9
95.01385	2.0
97.02969	0.7
103.08451	0.4
106.04237	2.9
108.02147	2.6
109.02965	4.4
111.00857	0.6
112.98814	0.6
113.02364	0.4
119.05055	0.7
119.29931	0.4
121.08537	0.4
122.03738	3.0
123.00908	1.2
123.04527	100.0
124.04871	2.4
125.02438	1.6
137.02425	1.8
138.03223	1.2
143.05042	2.9
153.01965	0.6
185.06070	1.8
185.11913	0.7
211.13358	1.2
229.04970	2.4
229.08685	57.9
230.09068	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1557
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
50.18616	0.6
57.03456	0.8
69.79381	0.5
69.90160	2.0
69.90565	1.3
72.43768	0.5
73.33118	0.6
84.08184	0.9
95.01348	0.7
98.06113	0.8
98.19833	0.6
113.01441	0.6
114.09248	1.2
115.08772	6.2
130.08743	39.5
131.09023	0.6
140.08337	0.6
141.09270	0.6
149.97548	1.1
185.16591	33.6
185.95157	3.4
186.16891	1.9
210.94698	0.8
228.95764	8.6
229.15573	100.0
229.96503	0.7
230.15953	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	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.8
57.03448	9.6
59.01381	100.0
60.97018	4.4
67.01897	7.5
68.74762	4.1
69.48414	22.0
69.48833	7.6
71.01384	57.2
73.02949	12.5
75.00896	6.3
83.01397	9.9
85.02950	13.3
87.00890	28.3
92.95987	34.8
93.03497	4.2
93.72062	3.4
98.20707	8.0
99.00860	20.6
102.69534	3.4
104.95995	17.8
111.00884	15.8
115.00383	56.3
120.95483	14.2
124.98843	4.6
125.25359	3.9
129.01950	22.1
132.99123	8.0
144.95482	44.8
148.94994	10.9
170.97083	17.1
172.94963	89.6
173.00960	7.5
175.02477	83.9
232.97095	17.9
233.06738	7.3
233.15472	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79152	1.9
57.03444	5.2
59.01381	100.0
66.85863	2.0
69.39747	15.4
71.01384	20.7
71.76243	2.3
72.99319	2.4
73.02964	5.1
74.02489	2.2
75.00874	5.2
83.01399	2.6
84.36628	2.1
85.02943	5.8
87.00919	4.9
92.95996	2.9
93.03460	3.2
99.00897	11.5
111.00910	4.6
122.27879	2.3
129.01929	6.5
143.03516	1.9
173.04567	4.2
188.98586	6.4
232.97487	5.6
233.06580	2.6
233.15509	23.7
238.59969	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
59.96732	0.7
60.97510	0.4
69.68006	1.3
69.68404	0.7
72.88052	0.3
74.99064	10.1
75.96231	0.5
83.45829	0.3
91.02219	1.0
93.00139	1.7
93.03452	0.5
118.96280	2.0
134.99409	7.4
136.97308	1.9
141.07405	0.5
143.05298	1.5
149.00955	74.0
150.00926	2.2
150.98846	1.3
159.08452	2.2
161.06407	3.6
215.05589	1.5
217.07196	100.0
218.07358	6.7
219.06340	0.3
231.04576	0.3
233.10329	94.0
234.10466	6.5
235.08174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1499
Annotation	Huperzine W
Peak:m/z	Relative Intensity
50.75367	0.2
55.59369	0.2
55.73280	0.2
58.17853	0.2
59.01366	0.9
59.09425	0.2
69.24437	2.1
138.33179	0.3
179.07050	0.8
204.15054	0.2
207.13896	0.6
218.11826	2.2
219.12686	0.3
234.14977	100.0
235.15306	6.0
251.11635	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	235.0612
Annotation	DECARBOXYHYDROXYCITRINONE
Peak:m/z	Relative Intensity
55.01877	5.1
59.01382	15.1
61.98830	7.9
68.99807	10.2
69.60646	5.3
69.61075	8.9
71.01376	22.7
72.99308	4.1
73.02943	5.6
75.31604	2.0
79.17612	2.1
80.24098	2.2
83.01380	16.8
85.02970	5.7
87.00861	2.9
87.05636	33.4
93.03457	34.9
96.96024	3.3
96.99302	5.7
99.00887	37.7
101.02448	6.5
105.03519	2.1
107.05013	15.2
111.00906	15.0
113.02456	3.2
115.00326	2.3
117.03486	5.0
117.05588	2.2
119.05019	28.7
120.28097	2.6
121.02938	3.2
121.06602	3.7
123.00884	5.8
123.04550	19.8
124.86245	2.0
128.01184	3.9
131.05035	2.6
132.02185	3.8
133.02963	64.4
133.06602	3.6
134.03773	9.9
135.04512	8.8
143.04971	2.0
145.02937	6.9
145.06567	6.2
146.03728	2.8
147.04509	18.0
148.05257	3.8
149.06076	100.0
150.06448	2.1
151.03835	2.3
159.04504	3.7
161.02473	3.2
161.06073	68.6
162.06403	2.4
163.03984	9.5
164.07172	2.4
165.05568	9.1
173.06000	2.9
177.01988	2.6
177.05573	81.8
177.07120	4.5
178.05949	2.4
187.03952	2.4
189.05557	28.3
190.05814	2.8
191.03456	3.3
191.07051	16.3
205.05042	65.8
206.05478	2.9
207.06807	3.2
217.05020	40.1
220.03722	2.8
235.06059	31.2
235.10884	25.9
235.16092	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	235.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17465	0.6
59.01370	1.5
59.53502	0.6
61.98820	1.0
69.33824	3.2
69.34246	1.8
77.68546	0.6
93.03456	5.7
97.63084	0.5
97.86821	0.6
98.19823	1.0
101.02472	0.8
106.04228	1.7
108.02152	0.9
109.02927	1.0
113.02396	0.7
119.05018	3.5
120.02162	1.4
121.02985	2.8
123.00851	1.0
133.02946	1.7
134.03740	7.2
137.02440	2.5
145.02969	0.9
147.04543	0.9
149.02412	1.3
150.03220	2.3
160.01620	0.8
161.02486	3.1
162.03227	58.4
163.04005	35.0
163.05415	1.1
164.04369	1.2
165.01959	0.6
176.04782	5.1
177.01921	13.7
177.05531	0.9
178.02698	8.6
190.02742	3.0
191.03522	6.9
191.07216	1.5
192.04282	6.8
202.02734	1.2
205.05000	2.9
207.06602	1.3
217.05060	2.9
218.02251	1.1
219.02959	2.1
220.03761	39.7
221.04140	2.1
233.04579	1.8
235.06111	100.0
236.06508	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	239.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10054	0.3
59.01366	1.5
61.98811	0.8
67.58632	0.4
68.45866	0.4
83.75326	0.3
96.48901	0.3
161.04562	0.4
179.05556	1.0
180.05905	0.4
195.04494	4.3
196.05281	33.6
197.06032	10.3
205.38138	0.4
211.79436	0.4
224.04770	66.7
225.05440	11.3
228.04224	2.2
239.07123	100.0
240.07672	10.5
256.91162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0714
Annotation	Chrysarobin
Peak:m/z	Relative Intensity
50.84462	0.4
51.90698	0.4
52.28481	0.4
53.73075	0.4
59.01382	1.7
59.03625	0.5
69.14240	0.5
69.24126	3.9
73.27354	0.4
82.32310	0.5
96.96054	0.5
101.95102	0.4
112.77717	0.4
135.62000	0.4
147.06219	0.5
179.05698	1.1
180.05904	0.5
195.04465	4.9
196.05289	37.8
197.05580	2.3
223.02686	0.6
224.04782	68.7
225.05093	3.5
228.04291	2.6
239.07127	100.0
240.07451	6.6
249.03011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01372	3.8
71.02641	1.6
95.05022	1.6
101.06084	7.3
109.06597	5.9
111.08156	6.3
125.09727	1.4
135.11783	0.6
138.06905	1.2
139.04015	13.7
139.07648	0.7
151.11250	0.7
154.06357	34.8
155.06735	1.0
167.14417	10.8
179.05598	2.6
179.10785	5.7
182.05833	3.5
185.59729	0.7
195.13898	100.0
196.14188	6.1
234.96527	0.7
239.12885	5.6
239.94400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
61.98829	4.5
64.52486	0.4
70.74839	0.8
169.06612	1.6
182.07423	0.7
195.04543	0.7
196.05313	3.4
197.06076	100.0
197.15437	1.0
198.06503	6.6
213.05508	0.6
224.02850	0.5
225.05563	82.9
226.06284	18.6
240.07919	54.3
241.05070	0.8
241.08655	14.6
241.18196	0.6
241.21652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0506
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
59.01381	0.2
61.98832	2.2
69.57225	0.4
69.57638	1.0
103.92064	0.4
108.02148	0.3
143.05003	0.3
157.06512	0.5
159.04535	0.2
167.05028	1.8
169.06633	0.3
171.04520	0.8
182.07352	0.3
183.04506	1.0
184.05322	0.7
185.06070	10.8
186.06404	0.4
195.02728	0.3
195.04512	5.1
196.05273	4.0
197.05984	0.6
197.15424	0.4
198.03226	3.6
198.06906	0.9
199.03969	0.2
210.03178	0.6
211.04008	8.4
212.04773	7.3
213.05566	100.0
214.05914	5.3
224.04715	0.3
225.05463	0.3
226.02747	0.6
226.06349	7.4
227.06693	0.5
234.23669	0.2
240.04309	0.2
241.05066	41.0
241.08640	5.5
241.14465	0.4
241.21751	0.6
242.05431	2.4
242.09024	0.4
242.17516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.083
Annotation	Thymidine
Peak:m/z	Relative Intensity
52.71698	2.7
69.50381	15.5
69.50798	4.7
85.89323	3.0
98.07951	2.9
103.92010	2.8
125.03570	8.5
127.46147	2.9
150.68272	3.6
151.05110	25.1
163.00412	6.6
178.02788	4.6
211.06140	5.0
231.82257	2.9
241.08325	100.0
242.08647	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03017	0.3
56.74249	0.3
67.13327	0.3
71.32339	0.5
73.54837	0.3
97.18015	0.3
108.37086	0.2
130.65622	0.3
169.06569	2.6
182.07367	3.7
197.06068	3.4
197.15388	0.3
198.06862	17.3
199.07201	1.0
209.06046	0.3
217.86682	0.3
225.05531	6.8
226.06349	100.0
227.06685	5.8
241.08696	80.3
242.09044	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	241.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35052	0.2
61.98563	0.2
61.98827	2.0
65.13724	0.2
67.84608	0.2
70.19629	0.7
70.33205	0.2
77.93588	0.2
83.31441	0.2
99.65372	0.2
103.92010	0.3
108.02161	0.3
113.37782	0.2
117.26890	0.2
126.77110	0.2
177.09239	0.4
182.07370	2.9
184.05347	0.3
185.06042	1.0
195.04546	0.3
196.05257	0.4
197.06078	2.2
197.11792	1.0
198.03094	0.3
198.06857	10.2
199.07256	0.4
211.04034	0.7
212.04829	0.6
213.05560	7.8
214.05882	0.2
225.05557	0.8
226.06349	100.0
227.06697	5.5
241.05261	4.8
241.08699	82.8
242.05563	0.6
242.09033	5.2
246.49492	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0871
Annotation	4,7-Dihydroxy-2-methoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
51.95758	0.2
61.98825	1.0
69.32511	1.6
98.19901	0.3
103.92046	0.3
134.71664	0.2
145.89153	0.2
181.06517	0.2
182.07352	4.1
183.07675	0.4
184.05385	0.2
184.94838	0.2
195.90239	0.2
197.06049	1.7
198.06847	8.2
199.07159	0.6
213.05484	0.3
213.91577	0.2
225.05644	1.0
226.06337	100.0
227.06656	5.5
241.08685	72.5
242.09021	4.6
247.81541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13719	0.4
61.98832	1.1
71.22758	0.9
80.05065	0.8
82.06650	0.6
110.02460	0.7
114.09223	1.4
129.10341	4.1
130.08742	49.6
131.09067	0.8
132.82501	0.5
141.10403	0.6
156.01224	1.3
171.04514	0.5
182.15521	1.0
199.09737	0.6
199.18153	27.6
200.18335	0.8
243.08743	1.8
243.17120	100.0
244.17488	5.2
260.85718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21534	0.4
54.44265	0.4
55.41960	0.4
59.01410	0.4
61.98814	0.6
66.03474	1.4
69.80845	1.0
69.81254	1.2
71.18367	0.4
72.99277	0.5
82.06627	4.5
84.08179	1.0
85.39888	0.4
98.20586	0.6
112.07686	1.5
114.09268	0.9
129.10349	4.6
130.08742	47.5
131.09093	1.4
141.10310	1.1
171.15048	0.5
182.15486	5.1
199.09547	0.4
199.18153	26.7
200.18521	0.9
215.39517	0.4
243.08798	1.3
243.17120	100.0
244.17465	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	243.1964
Annotation	13-Hydroxymyristic acid
Peak:m/z	Relative Intensity
50.42885	0.7
52.63480	0.6
57.03449	0.8
59.01379	100.0
61.98831	15.2
67.01888	1.2
69.35281	2.3
69.35704	3.8
86.57343	0.9
95.07835	0.7
98.19886	1.1
99.92593	10.1
110.02415	1.8
111.00854	0.9
197.19077	1.1
197.90646	3.4
200.05598	0.9
225.11287	0.7
227.07040	1.0
242.99171	0.8
243.02867	0.8
243.06525	1.8
243.10278	2.6
243.12492	1.0
243.19641	40.6
243.89920	2.2
244.19974	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	245.0931
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
52.15895	1.1
58.02973	23.1
59.01380	1.0
70.02975	16.6
71.52383	1.4
72.00903	6.0
72.04545	3.7
74.02476	100.0
98.02481	24.4
116.03559	29.5
116.05068	35.5
117.05384	1.2
130.06642	3.6
142.06607	8.1
143.06923	1.1
155.14113	0.9
156.08160	1.1
156.13141	0.9
159.09286	6.3
161.44905	1.0
183.09242	2.6
186.05566	2.9
201.10365	8.6
203.08269	83.9
204.08636	4.0
245.04890	2.3
245.09309	71.2
246.09695	4.9
251.22002	0.9
257.67957	1.0
261.12109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
60.03508	0.1
61.98831	0.4
69.17979	1.8
71.05024	0.1
79.41019	0.1
79.95696	0.2
85.48259	0.2
130.34088	0.1
133.00819	0.1
134.76834	0.1
176.99374	0.3
184.00191	1.3
205.15936	0.3
207.13994	0.2
220.16983	0.2
231.13884	0.6
247.17018	100.0
248.07980	1.2
248.17368	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	249.1497
Annotation	Sch 601254
Peak:m/z	Relative Intensity
55.45904	2.8
59.01374	14.9
61.98837	7.4
69.03452	34.1
73.02959	5.0
85.02944	5.0
95.05040	5.9
108.05992	2.8
143.11490	3.2
147.04305	2.9
151.11272	5.6
161.02495	3.6
193.12384	11.3
205.12280	10.2
205.15984	13.2
221.15440	14.7
231.13814	34.0
249.07820	4.0
249.14957	100.0
250.14488	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1859
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.35255	0.4
58.99136	2.4
59.01382	3.9
60.98703	1.8
61.98834	0.5
68.99204	0.6
68.99572	11.0
71.01376	0.7
77.30692	0.4
112.98565	18.2
117.03449	0.5
125.09863	0.5
133.02969	0.6
152.97829	1.6
154.97374	14.5
161.02347	0.8
177.16451	0.8
194.79451	0.5
205.01355	0.6
205.12086	0.6
205.15981	6.4
205.19551	1.7
206.16122	0.6
230.07320	0.5
231.17511	1.3
247.17355	0.6
248.97429	4.2
249.14931	10.0
249.18581	100.0
250.11852	1.0
250.14491	15.5
250.18806	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	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62876	3.2
58.02978	26.2
63.55214	2.9
66.44645	2.8
69.81983	15.7
70.02972	9.3
71.01362	4.9
72.00893	7.3
76.82987	3.0
85.67403	3.3
91.05536	6.2
108.21053	2.9
147.04518	35.3
155.45871	3.1
164.07162	100.0
180.85828	3.2
187.84995	2.9
195.67903	3.5
203.46613	3.6
206.08209	74.0
229.00053	3.1
230.06982	3.4
250.14481	44.3
251.05637	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	251.0558
Annotation	Cladobotrin III
Peak:m/z	Relative Intensity
55.01872	1.2
57.03448	1.2
59.01378	3.5
65.03957	0.7
67.01887	0.8
68.99825	1.4
69.03449	1.6
71.01390	1.8
71.56123	1.0
76.70638	0.5
78.91359	0.5
79.01855	1.0
79.95754	0.6
80.96520	0.7
81.03461	11.7
83.01386	17.3
83.05025	0.8
85.02954	11.9
93.03449	3.5
94.45592	0.6
95.01387	1.0
95.05033	4.6
96.96021	1.3
97.02953	2.6
99.00869	0.6
99.04519	2.9
101.02432	1.0
107.01389	1.1
107.05032	2.2
108.02172	1.4
109.02947	3.7
109.06580	2.1
111.00860	0.9
111.04508	2.7
113.02393	0.8
116.90614	0.6
119.05012	4.5
121.02956	7.5
122.03704	1.7
123.00884	1.6
123.04530	22.0
124.04855	0.8
125.02451	4.1
133.06580	2.0
134.03746	1.1
135.04539	9.0
136.05287	1.2
137.02444	2.8
137.06078	6.3
139.04036	8.0
141.05574	1.2
143.04919	0.7
145.02917	0.9
145.06566	0.8
146.03706	0.9
147.04515	2.7
148.05318	1.0
149.02423	1.2
149.06129	1.1
150.03276	0.9
151.04056	1.5
151.07637	1.2
153.05573	1.1
159.04475	1.0
161.06075	7.5
162.03195	0.7
163.04024	7.4
163.07602	1.4
164.04793	3.0
165.01939	4.8
165.05571	4.7
166.02602	0.8
167.03496	16.9
175.03995	0.9
177.05542	1.1
178.06328	1.0
179.03497	5.2
179.07126	3.0
180.04260	2.1
181.05078	1.4
189.05559	3.7
191.01993	0.8
191.03464	2.7
192.04207	0.6
193.05009	1.4
195.06598	0.9
203.03514	1.4
205.04913	0.6
207.03047	1.7
207.06593	3.4
207.10248	0.6
208.03796	0.9
209.04549	34.9
210.04973	1.0
221.04559	2.0
223.06105	1.5
233.04555	1.0
236.06902	1.7
237.05519	0.7
251.05602	100.0
251.22916	0.5
252.06047	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	251.1037
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.24444	0.6
59.01372	2.9
61.98821	1.9
62.32121	0.5
70.74823	0.7
70.75149	1.2
71.01385	3.8
71.02515	2.0
72.00920	1.5
73.04072	100.0
74.04401	0.8
79.17852	0.6
83.01408	0.7
85.02959	3.5
85.04044	0.9
89.02407	0.9
91.05527	1.8
93.03443	0.7
94.63666	0.6
98.84669	0.6
99.00913	1.3
101.02442	1.5
103.05117	3.9
113.02452	1.7
118.06614	0.9
119.05027	1.6
121.02976	1.1
125.02431	1.1
132.32256	0.7
135.04488	1.3
145.06528	0.9
147.04520	17.1
148.04933	0.7
149.06047	1.3
161.04591	1.0
163.03981	1.0
164.04974	1.0
164.07162	27.2
165.07620	1.0
177.10316	1.4
179.07027	0.6
189.05658	1.1
191.07108	0.8
193.05119	1.7
221.09300	53.6
222.09677	2.2
233.09264	1.2
236.06943	1.5
251.06210	4.3
251.10368	45.5
251.14780	2.5
252.10701	2.2
258.28668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	9.4
57.03441	5.3
57.86087	1.3
59.01379	61.5
69.03442	1.6
70.02053	5.2
70.02412	2.3
71.01382	100.0
72.01722	2.6
72.99310	4.7
73.02952	30.6
74.02483	6.5
75.00871	4.7
79.95765	1.7
80.96530	2.0
81.03484	2.3
83.01379	17.7
85.02955	51.0
85.04071	5.8
87.00873	7.3
87.05645	2.9
89.02445	24.3
91.05554	1.5
94.02984	5.6
95.01386	9.7
96.99318	1.6
97.02972	3.3
97.04079	3.9
99.00887	15.1
101.02446	80.7
102.02804	1.5
107.05041	2.1
110.93457	5.9
111.00889	2.2
111.02013	3.2
113.02449	39.3
113.03253	2.1
114.02695	1.6
119.03523	3.7
119.05049	1.7
123.00901	3.8
125.02448	4.4
133.05109	2.4
135.04538	2.2
138.92961	4.0
139.00398	1.4
143.03531	3.4
159.03015	10.7
161.04549	39.8
161.05890	2.8
172.07753	2.2
191.05676	1.9
192.03027	5.6
205.03438	1.8
214.42184	1.6
221.09305	21.7
245.46480	1.2
250.87692	1.7
250.94307	2.3
251.05649	3.8
251.11118	24.4
251.14787	4.5
252.04993	3.2
258.32751	1.5
267.00623	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01373	2.2
60.25416	0.5
67.60831	0.5
70.11699	1.5
70.12112	1.0
71.01390	0.7
73.39526	0.6
73.58430	0.5
95.23917	0.5
101.02445	0.6
159.58659	0.5
163.00560	0.5
181.48184	0.6
233.19025	0.6
251.20158	100.0
252.20529	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	253.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61172	0.3
51.53831	0.2
52.64024	0.2
59.01382	3.6
59.81861	0.3
61.98819	0.5
70.10726	1.0
71.01376	1.2
85.02959	0.3
89.02451	1.0
97.47973	0.3
98.21301	0.3
101.02429	1.2
113.02430	0.5
155.75909	0.3
161.04555	0.4
182.03732	9.6
183.04073	0.4
193.07170	0.4
210.03218	100.0
211.03571	5.0
225.05547	2.9
238.02718	21.6
239.03059	1.1
253.05058	95.1
254.05383	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	253.0506
Annotation	7758-73-8
Peak:m/z	Relative Intensity
59.01377	1.7
63.69688	0.3
69.10600	0.2
71.01381	0.5
89.02434	0.4
101.02448	0.7
133.68350	0.2
151.20308	0.2
182.03716	10.6
183.04265	0.8
210.03218	100.0
211.03920	17.2
225.05554	2.8
238.02708	22.8
238.12215	0.3
239.03424	4.3
253.05055	98.1
254.05634	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	253.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35708	0.3
59.01356	1.3
69.77035	1.1
69.77435	0.7
79.95731	1.0
80.35554	0.3
84.34234	0.4
93.17840	0.3
96.39995	0.3
97.27016	0.3
98.19966	0.4
121.02934	0.6
142.04234	5.0
145.02951	7.2
146.03421	0.3
147.07018	0.3
154.04221	1.3
158.03754	0.9
166.04227	10.5
167.04675	0.7
169.02953	11.5
170.03600	1.1
171.44861	0.3
173.02498	0.7
182.03717	11.1
183.04022	0.3
186.03175	1.4
197.02460	1.3
198.03224	1.9
209.02473	0.4
210.03218	32.3
211.03581	2.4
213.01909	3.7
214.02708	4.8
224.04726	1.0
225.05469	1.7
233.22861	0.3
237.01926	43.6
238.02701	37.6
238.04637	0.3
239.03026	2.1
242.02290	0.5
253.05055	100.0
254.05388	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	253.087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.6
61.98836	1.0
70.87151	0.9
71.01381	2.4
85.02962	0.6
89.02454	2.0
101.02471	2.6
113.02457	1.3
119.03528	0.5
119.11992	0.4
121.02978	0.5
161.04588	1.3
193.07202	1.2
195.04504	89.5
196.04852	5.4
210.03299	0.9
211.04012	0.6
223.03998	66.8
224.04329	5.1
237.01910	0.7
238.06345	100.0
239.06685	5.9
253.05156	1.1
253.08710	32.2
253.21780	1.3
254.09019	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06753	0.9
51.66695	0.8
59.01106	1.6
59.01382	21.5
61.98804	1.9
63.59473	1.1
71.01394	5.9
85.02942	1.5
89.02444	4.2
93.03442	0.8
101.02457	5.9
113.02460	2.3
119.03503	1.2
121.02917	1.5
130.91800	0.9
133.31421	0.9
161.04520	2.8
173.85640	0.8
193.07123	1.7
195.04512	81.5
196.04794	4.1
210.03177	1.4
223.03998	61.7
224.04300	3.3
238.06346	100.0
239.06760	7.3
253.05113	3.4
253.08746	34.9
253.14453	1.3
253.17854	1.1
253.21642	2.5
254.09099	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	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
54.40071	1.5
54.60893	1.4
55.01885	3.0
57.03446	1.9
58.00584	3.5
59.01380	100.0
71.01382	68.2
71.01723	1.4
72.99317	3.2
73.02966	8.2
73.66283	1.6
77.36644	1.6
83.01387	8.1
85.02957	15.6
87.00870	8.4
87.66478	1.6
89.02447	65.5
95.01389	4.7
97.02961	2.8
98.19862	5.6
99.00870	2.1
101.02448	62.6
113.02443	30.6
119.03477	15.3
125.02414	2.6
126.46409	1.4
129.35268	1.4
131.03543	2.8
143.03523	3.6
149.04433	2.1
154.67433	2.0
161.04552	25.3
179.05634	8.9
229.85339	1.9
253.09262	73.0
254.09692	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	253.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64200	1.2
54.48017	1.4
55.01869	2.0
57.03436	1.4
58.00578	3.3
59.01379	100.0
69.42056	4.2
69.42467	7.8
71.01382	59.7
72.99295	4.6
73.02938	6.9
73.93633	1.4
83.01382	7.5
85.02937	13.4
87.00882	8.4
89.02448	55.7
95.01395	4.3
99.00901	1.8
101.02443	60.8
113.02448	29.7
119.03490	14.2
126.65517	1.7
131.03452	1.8
143.03474	5.7
149.04536	1.7
161.04567	24.8
162.04871	1.7
171.55588	1.5
179.05611	8.4
223.03915	2.3
238.02655	1.7
253.09267	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73668	1.6
61.98831	100.0
70.20902	6.6
84.06612	1.8
105.84934	1.8
143.42061	1.7
149.23314	1.5
155.22365	1.6
191.48079	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	254.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11829	0.1
59.01380	0.2
61.98837	0.2
110.02520	0.1
155.05089	0.3
167.05074	0.2
182.03691	0.8
183.04530	3.3
210.03192	1.2
211.04002	100.0
212.04335	5.5
225.01839	0.1
229.11603	0.1
231.44817	0.1
239.03490	23.3
240.03859	1.6
253.05235	0.2
254.05841	47.0
255.06195	2.8
255.23273	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73942	0.4
59.01366	0.5
69.71161	0.3
83.01381	0.6
90.69741	0.3
98.19874	1.3
125.99592	0.4
143.05017	0.5
145.06558	0.5
167.05022	13.1
167.91756	0.4
168.05702	1.6
171.04562	0.5
171.10313	0.7
181.06531	0.6
183.04564	0.8
184.05290	7.1
193.12376	0.8
199.07642	1.7
211.04007	35.4
211.13429	0.8
212.04778	41.0
213.05191	2.8
225.05600	1.5
226.06349	1.9
227.07130	4.7
239.03487	36.2
240.04265	26.8
240.08034	0.8
241.04692	1.7
250.25967	0.4
253.05060	1.0
255.06624	100.0
255.23283	29.8
256.06967	5.9
256.23636	1.0
272.03271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13181	0.4
52.18076	0.4
69.44612	2.9
77.87337	0.4
121.30434	0.4
125.99566	0.8
151.00365	0.4
167.05016	12.0
168.05780	2.1
181.06642	0.4
183.04485	1.0
184.05298	12.1
185.05705	0.9
191.10774	0.7
195.04469	0.7
197.06079	0.5
199.07651	2.7
209.06129	0.7
211.03993	33.7
211.13275	0.8
212.04768	42.9
213.05209	2.5
225.05569	0.9
226.06406	1.5
227.07150	5.3
239.03485	36.9
240.04254	29.0
241.04695	1.7
243.06668	0.5
253.05058	0.7
254.05821	0.5
255.06621	100.0
255.15819	1.1
255.23285	29.6
256.06992	6.7
256.23648	1.3
272.03320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.8
66.48775	0.7
69.74248	2.4
69.74680	1.5
81.03458	1.5
82.75053	0.7
83.01405	1.1
93.03455	21.7
94.03861	0.6
105.03417	0.8
108.02132	0.9
112.84261	0.6
115.05573	1.1
117.03477	3.4
119.05027	12.8
121.02973	4.2
125.02472	1.7
130.04245	2.1
133.02939	1.6
137.02504	0.6
141.67097	0.6
143.05022	9.8
145.03038	0.7
145.06604	4.9
149.02435	20.3
150.02852	0.6
157.06566	1.7
159.08165	1.0
161.02432	4.5
164.78532	0.6
167.05077	3.2
167.06247	0.6
168.05833	1.2
169.06598	16.5
170.07025	0.8
171.04524	27.3
172.05127	2.1
175.03328	0.7
182.07495	0.6
183.08134	1.3
184.05252	0.7
185.03465	0.6
185.06073	5.3
187.07643	4.5
193.06436	0.7
195.04535	1.6
196.05252	1.0
200.77693	0.6
209.06067	1.3
210.06885	1.0
211.05629	1.5
211.07649	27.9
212.04742	0.8
212.08006	1.8
213.05583	2.9
227.07161	2.9
237.05461	1.5
239.03558	0.9
240.04297	8.2
251.51559	0.7
255.06622	100.0
255.23283	20.6
256.06934	6.6
256.23434	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1026
Annotation	Pterostilbene
Peak:m/z	Relative Intensity
53.90845	0.3
58.38607	0.4
70.45780	1.2
90.87644	0.4
90.91967	0.4
196.05193	0.5
197.06076	46.8
198.06441	2.4
212.66406	0.4
225.05565	81.2
226.05946	4.3
240.07915	100.0
241.08249	5.5
255.10263	33.7
255.23288	10.9
256.10635	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	256.074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53214	0.1
59.44958	0.1
69.29089	1.1
75.82543	0.1
97.69091	0.1
98.20688	0.2
127.65654	0.1
157.06508	0.3
167.05072	0.7
169.06639	0.2
171.04483	0.2
183.04395	0.3
184.05249	0.3
185.06056	5.0
186.06441	0.3
195.04498	2.6
196.05252	1.5
198.03192	1.6
210.03244	0.7
211.03990	2.9
212.04752	3.4
213.05560	100.0
214.05910	5.3
222.41531	0.1
223.04283	0.2
224.04623	0.2
226.02693	0.4
240.04324	1.0
241.05054	59.9
242.05388	3.3
255.06590	2.0
255.23312	0.5
256.07397	64.6
256.23648	0.6
257.07739	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	257.082
Annotation	Rhapontigenin
Peak:m/z	Relative Intensity
57.03445	0.4
65.00309	1.1
69.25970	1.2
69.26390	1.9
69.84196	0.3
81.03461	4.2
83.01406	1.2
93.03473	0.6
95.71880	0.3
107.01389	1.3
109.02977	0.5
109.39528	0.3
121.02941	0.7
122.03754	2.3
125.02425	2.1
131.05017	0.4
131.77663	0.3
143.08704	0.4
151.00360	1.3
155.05052	0.6
156.05797	1.4
169.06584	1.5
171.08115	1.6
172.05333	0.6
173.06102	3.3
180.05803	1.7
181.06573	1.2
183.04529	1.0
183.08018	0.4
185.06186	0.4
195.08154	2.0
196.05246	0.4
196.58008	0.3
197.06071	1.3
198.06888	3.4
199.04039	0.7
211.07555	0.4
213.05820	1.6
213.09201	9.1
214.06053	1.6
214.09521	0.5
223.04021	0.4
224.04848	0.7
225.05540	6.9
226.05931	0.7
227.03522	0.9
239.07159	3.2
241.05063	23.7
242.05838	75.8
243.06151	3.7
254.51642	0.3
256.23657	0.9
257.08188	100.0
257.23859	0.7
258.08493	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	257.082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.7
59.01356	0.8
63.02400	0.5
65.00318	2.4
71.54570	0.4
74.93882	0.3
81.03455	15.6
82.03782	0.4
83.01393	2.8
93.03445	0.5
95.01373	0.4
97.56771	0.4
107.01405	2.7
107.05025	0.5
109.02937	1.0
121.02950	0.6
122.03742	8.5
124.01672	0.5
125.02440	7.9
130.82080	0.4
131.05055	1.9
141.07089	0.6
147.08163	1.2
149.06062	0.6
149.25624	0.4
151.00362	5.3
153.07034	0.7
156.05788	2.9
166.02699	1.4
167.08627	0.7
169.06563	2.7
170.07259	0.5
171.08139	5.6
173.06075	7.8
183.08215	0.6
184.05353	0.4
185.09744	0.5
195.08138	1.8
197.06071	0.5
198.06798	0.5
213.09212	43.5
214.05901	0.5
214.09567	2.4
215.25153	0.3
239.07129	3.6
242.05557	1.0
256.23596	0.6
257.08182	100.0
257.23657	0.6
258.08505	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	257.082
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
59.01370	0.7
69.02322	0.2
71.01379	0.2
71.56282	0.3
93.03455	0.9
108.02180	0.3
118.42501	0.2
121.02985	1.1
121.63065	0.2
130.08868	0.2
157.06592	0.2
167.05116	0.3
169.06581	0.3
171.04561	0.4
172.05257	1.5
173.06055	1.0
180.05794	8.0
181.06583	7.1
182.06894	0.4
183.04507	4.6
185.06081	1.0
195.04547	0.5
196.05278	1.3
197.06107	2.3
198.06786	0.5
199.04005	1.2
213.05548	4.1
214.06281	2.1
222.33061	0.2
224.04758	2.6
225.05560	32.1
226.05948	1.7
227.03459	1.6
229.08693	0.3
233.99429	0.2
239.07307	0.3
240.04300	0.4
241.05061	24.5
242.05739	6.2
247.64185	0.3
256.23608	0.9
257.08182	100.0
257.93811	0.4
258.08517	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0821
Annotation	Mansonone I
Peak:m/z	Relative Intensity
69.64532	2.3
79.94583	0.3
98.20616	0.7
99.74064	0.4
172.05359	0.7
178.39577	0.4
180.05829	1.2
183.04591	0.7
187.04131	0.4
193.26740	0.4
195.04514	3.0
196.05287	6.8
197.06012	0.9
198.06950	0.7
199.03970	0.6
200.04727	0.5
213.05606	4.4
214.06322	4.7
223.04117	0.6
224.04787	12.7
225.05444	1.5
227.03616	0.9
228.04300	0.6
229.04922	0.6
239.07144	7.2
241.05064	4.0
242.05846	84.8
243.06192	4.6
256.23685	0.5
257.08188	100.0
258.08521	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	257.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99611	1.2
58.99584	1.3
69.45911	3.5
69.46332	6.6
72.34025	1.2
74.02473	85.2
74.49028	1.3
90.00164	1.9
95.39470	1.3
97.04052	4.0
99.05614	2.5
109.04070	6.3
110.09750	21.1
111.04922	1.8
111.05640	25.2
120.08147	1.9
122.09766	6.7
123.04512	1.7
136.07675	2.2
138.04274	2.6
148.06731	1.3
148.07701	17.5
150.09137	3.9
164.01025	1.4
164.09444	4.2
167.11867	3.1
179.11897	100.0
180.12119	3.1
186.06323	3.1
198.06731	2.7
211.10881	31.1
213.05548	8.0
214.03973	2.4
214.05902	38.7
215.06036	1.6
217.89220	1.7
223.10886	43.8
224.04614	4.6
224.11038	1.8
241.02695	1.5
241.05058	31.8
242.05702	67.1
243.05959	3.9
256.03186	1.7
256.23468	2.2
257.04648	2.2
257.07828	50.3
257.12830	8.6
258.08319	2.8
277.78467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0976
Annotation	Cyperine
Peak:m/z	Relative Intensity
53.44984	0.6
68.99831	0.7
69.36136	0.6
71.56664	0.9
78.95909	0.7
80.02676	0.7
81.03461	29.0
83.01395	0.7
93.03471	5.4
95.01366	1.3
108.02187	10.4
109.02956	2.1
111.00895	0.9
121.02963	61.1
122.03763	32.9
123.00908	3.5
123.04533	49.5
124.01653	2.7
124.04870	1.4
125.02460	10.0
136.01660	2.8
137.02458	15.8
137.06087	33.3
138.06393	0.8
153.01932	4.6
154.02669	2.1
154.74440	0.6
159.04492	0.6
199.07504	0.8
215.07170	1.0
243.06586	5.7
244.07402	19.8
245.07753	1.8
259.09744	100.0
260.10114	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	259.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
61.83293	0.5
61.98829	0.5
65.61279	0.6
67.95501	0.5
70.02989	0.4
70.69549	1.4
71.01389	2.8
72.99292	0.5
73.02946	0.8
73.04057	0.5
74.02480	1.2
75.44812	0.4
76.73924	0.5
78.95918	3.4
81.03458	0.6
82.02983	5.7
82.06648	0.7
83.01422	0.8
84.04559	1.7
85.02972	0.9
87.00880	1.4
88.04056	1.2
95.01434	0.6
96.96949	3.7
97.02951	0.6
100.04080	2.5
101.02444	1.4
101.07210	1.4
102.05642	1.0
103.04042	0.7
109.02962	0.7
113.02449	0.7
114.09259	1.2
115.00333	2.4
126.09292	0.6
127.04166	0.5
127.05129	2.5
128.02690	0.8
128.03545	8.3
130.08740	100.0
131.09070	2.0
135.04514	0.7
140.07166	0.8
141.10352	3.0
145.06230	0.6
146.08246	1.6
146.62692	0.5
154.12395	1.5
158.07181	0.6
169.13414	0.8
171.15015	9.0
175.02512	3.4
180.10345	2.1
187.10854	1.2
197.12944	18.2
198.13332	0.9
210.43285	0.5
215.10396	0.8
215.13898	1.9
215.15816	0.7
218.46272	0.5
221.84390	0.9
241.11931	34.7
242.12263	1.2
258.90982	0.9
259.02319	1.0
259.08463	1.2
259.12930	26.5
260.13406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
71.01381	2.3
71.54347	1.1
72.99321	0.7
78.95902	3.2
82.02980	6.1
82.06631	1.1
84.04552	1.8
87.00890	1.1
88.04050	1.7
96.96969	2.1
99.00893	0.8
100.04054	2.0
101.07208	2.2
102.05603	0.9
103.04025	0.9
112.04127	0.8
115.00377	1.2
115.74184	0.6
127.05145	2.9
128.03555	9.2
129.10327	0.9
130.08740	100.0
131.09070	1.9
134.74042	0.5
140.07198	1.2
141.10338	5.2
146.08226	0.7
154.12384	1.8
167.11926	0.8
168.09064	0.6
169.09921	0.6
169.13486	0.6
171.15025	9.0
175.02489	2.7
180.10228	3.2
187.10768	0.7
197.12941	22.2
215.13995	1.7
241.11923	45.5
242.12323	1.6
259.02338	0.7
259.08487	0.9
259.12964	25.0
260.13309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.7
68.68901	0.5
69.49329	3.9
70.02982	9.7
72.04543	4.3
74.02474	100.0
75.02808	1.1
76.22735	0.5
76.46438	0.5
84.04565	1.0
98.02482	25.8
110.80186	0.6
116.03539	54.6
117.03872	0.8
128.03551	6.9
130.08698	0.7
132.04558	33.6
133.04900	1.4
144.04567	7.2
161.06129	0.6
175.08772	1.3
180.71616	0.7
201.06699	13.4
202.06943	0.7
219.07692	3.1
261.04462	1.0
261.08777	22.9
261.12759	1.3
262.09161	1.1
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
59.01381	100.0
64.28327	1.4
68.45646	1.3
71.01373	5.8
71.55309	1.8
73.02938	3.0
74.02488	1.8
79.95748	2.6
80.96506	3.3
85.02935	5.2
87.00851	1.7
89.02380	1.6
89.59632	1.2
91.05492	1.4
93.03472	1.7
99.00869	2.2
99.04519	1.3
101.02461	3.6
112.71684	1.4
113.02425	3.8
116.07181	8.5
119.05016	3.6
127.08773	3.6
133.02956	2.2
175.07657	1.9
192.90089	1.4
219.91093	2.1
233.04474	1.5
262.91873	2.3
263.05951	7.5
263.09119	2.6
263.13959	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	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64211	1.1
59.01379	100.0
59.45846	1.1
61.60736	0.9
69.58114	7.2
72.21904	0.9
75.15821	0.9
78.92735	0.9
85.03054	1.1
113.02413	1.3
164.25607	1.0
176.01138	2.8
219.02888	1.8
263.12903	0.9
282.63361	1.1
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
50.55600	1.6
55.01878	8.4
57.03437	6.6
58.00592	3.3
59.01380	60.6
61.98846	8.0
65.92401	1.3
68.99828	1.5
71.01384	100.0
71.56000	2.4
72.99297	4.5
73.02947	30.5
75.00885	1.9
79.95766	3.5
80.96519	2.5
81.66982	1.3
83.01388	16.0
85.02950	50.2
86.00092	5.1
87.00869	15.3
87.04527	2.9
89.02453	23.3
93.03480	2.1
95.01392	7.3
97.02923	3.9
99.00888	29.2
101.02445	58.6
101.06083	3.1
103.03969	1.5
111.00906	3.9
113.02454	40.4
119.03539	5.4
119.05030	51.8
120.05324	1.9
127.00414	1.6
129.01953	5.5
133.02870	3.3
135.04480	1.9
141.01747	5.3
143.03476	3.8
146.97594	3.0
151.04022	2.3
156.04170	4.4
157.04465	3.7
158.03731	2.3
159.02966	5.9
161.04575	25.1
163.04001	15.0
169.02948	3.1
173.08165	7.4
177.05614	1.9
180.68579	1.5
183.93608	2.8
186.03221	10.3
201.05531	3.2
203.03513	3.0
219.06520	2.3
219.91287	15.3
233.04413	2.3
245.04413	2.4
262.91888	17.1
263.05811	7.4
263.08536	3.6
263.11264	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	263.1136
Annotation	Ilicifolinoside A
Peak:m/z	Relative Intensity
55.01883	6.9
57.03445	5.9
58.00588	4.3
59.01381	70.0
65.89915	1.1
69.03474	1.6
69.84600	5.3
71.01383	100.0
71.05016	2.6
72.99311	5.4
73.02949	26.7
75.00845	2.6
80.96517	2.1
81.03440	1.4
82.44810	1.1
83.01394	12.8
84.02194	1.2
85.02956	45.5
87.00858	3.9
89.01924	1.9
89.02447	26.7
91.22235	1.2
95.01405	7.7
97.02953	2.3
99.00900	16.8
101.02444	70.7
101.06067	3.3
102.02742	1.2
113.02448	44.5
119.03502	8.3
119.05012	7.5
122.89459	2.3
123.90184	1.3
125.02398	1.6
129.01917	2.5
143.03485	4.3
144.47873	1.4
148.90962	2.8
159.02977	8.9
161.03249	2.4
161.04565	40.4
163.04036	1.4
183.93617	2.3
202.39925	1.1
205.03465	1.8
219.91286	10.2
233.04539	1.4
244.90788	1.2
252.11829	1.2
262.91983	13.5
263.05701	4.2
263.11365	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	263.1289
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
57.03458	5.5
59.01388	13.8
60.41945	2.5
69.21627	23.3
71.01382	11.3
73.02927	2.6
73.38476	2.6
80.37438	2.9
81.03436	3.6
83.05032	5.4
93.07130	3.1
95.05052	4.9
95.54080	2.8
97.02946	10.3
102.17413	2.7
108.02097	2.5
108.05793	4.7
109.02949	3.7
109.06590	8.0
111.04518	12.0
111.08126	3.7
113.06092	11.0
119.08652	3.5
121.06589	4.9
122.03771	16.7
123.08142	8.1
125.06084	16.2
126.90525	3.1
135.08171	7.4
136.05296	19.5
137.06076	8.5
137.09723	3.7
138.06897	20.5
139.07635	36.9
139.13095	2.8
148.05315	6.7
149.06068	6.1
151.07651	73.0
152.04764	9.5
152.08447	37.9
153.09164	14.1
159.11784	3.1
161.09747	10.0
163.07590	15.5
164.34552	2.4
167.07108	4.1
172.36884	3.0
175.11166	4.3
176.01187	4.0
186.10492	3.1
188.08369	3.2
189.09172	7.5
189.12837	3.4
201.12840	27.3
203.10794	26.0
204.11552	68.9
219.03003	6.6
219.10498	4.6
219.13893	100.0
220.14410	3.6
222.56047	2.6
240.54320	2.7
263.09393	5.5
263.12857	19.4
263.16312	3.7
267.37796	2.8
270.67627	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	263.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93701	0.5
57.51347	0.5
59.01385	3.1
62.27685	0.5
71.01385	5.3
71.02497	0.8
71.55680	0.8
72.00909	1.1
73.02969	1.4
74.02505	0.8
80.96539	1.2
83.68420	0.6
85.02960	1.9
87.00893	0.8
89.02460	1.1
91.05537	5.9
98.06129	1.1
99.00932	1.0
101.02418	2.6
103.05572	1.0
113.02451	2.1
115.08777	84.2
116.09120	1.5
119.05079	0.6
125.07182	0.5
131.03532	0.6
133.38612	0.5
135.04543	1.0
147.04524	21.8
148.04935	0.8
161.04486	1.3
163.50926	0.6
164.07166	12.3
219.15051	5.5
263.05762	2.4
263.13995	100.0
264.14307	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	263.2016
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.37251	0.5
54.62993	0.4
54.98670	0.4
59.01367	1.6
71.01389	0.6
72.73118	0.4
83.05003	0.4
98.20721	1.0
114.27225	0.4
166.11014	0.4
219.21233	1.0
229.39221	0.6
245.19090	0.4
261.18533	0.6
263.20139	100.0
264.20523	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	264.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71545	0.7
59.01103	0.8
59.01379	9.3
61.98810	0.7
71.01371	4.0
71.54858	0.9
72.99281	0.7
83.01388	1.0
85.02950	4.0
87.00872	1.0
89.02470	3.8
89.46274	0.7
101.02429	3.7
103.04014	4.2
103.92062	1.1
108.91481	1.2
108.93724	4.8
111.00883	2.2
113.02453	1.8
117.93784	3.3
119.03483	1.0
121.89738	0.9
122.89410	4.3
124.89169	1.9
124.93255	2.1
128.07201	1.8
130.08740	37.2
130.93571	1.5
132.91544	1.2
136.93222	3.2
138.91191	5.1
146.93076	1.0
148.90993	1.7
149.91139	0.8
150.90695	2.9
150.94794	4.5
152.92294	1.6
163.94302	2.8
165.95882	1.0
167.01945	0.9
172.90945	0.9
176.90460	2.0
200.90543	0.8
204.90015	1.2
217.99026	1.1
220.00591	8.2
222.02133	12.2
227.97684	3.7
233.98561	1.4
236.90732	1.1
245.98680	0.8
263.95462	2.3
264.03189	100.0
264.92139	4.1
265.03543	3.3
265.09262	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	265.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.4
57.03449	19.0
59.01381	12.0
61.41946	0.6
67.01879	0.9
71.01386	7.3
71.56512	0.6
71.86019	0.5
72.99318	0.6
73.02934	1.6
75.00858	1.1
83.01391	10.7
84.02170	2.7
85.02954	100.0
86.03291	1.5
86.63942	0.5
87.00874	0.8
93.71996	0.6
94.86150	0.6
101.02443	6.0
111.00883	33.2
119.05046	1.1
129.01950	29.4
134.03700	0.9
145.02969	1.8
149.06090	2.0
161.04552	2.0
161.06097	0.9
163.04036	1.9
163.07648	2.6
174.01729	0.8
177.05585	0.7
181.32246	0.6
187.02502	1.3
191.03490	0.8
195.70781	0.6
205.03542	17.6
205.05399	1.2
206.05855	1.5
207.03018	0.8
207.06625	2.5
221.08249	1.6
223.04643	4.4
250.04839	1.3
265.05203	1.0
265.07321	2.0
270.75916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.8
57.03449	19.3
59.01382	10.8
67.01899	1.3
69.22832	4.8
71.01380	7.7
72.99306	1.4
73.02962	1.7
75.00872	1.4
83.01387	12.4
84.02174	3.1
85.02953	100.0
86.03283	1.5
87.00880	0.8
96.96042	0.9
99.00919	0.6
101.02426	5.1
111.00880	34.4
112.01210	0.5
127.04018	0.6
129.01947	28.9
130.02217	0.9
133.78691	0.5
161.04578	1.5
187.02455	1.1
205.03520	18.1
223.04564	4.8
265.05655	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28037	0.3
79.25790	0.4
79.95730	2.9
95.95221	0.6
96.96008	100.0
138.65616	0.2
142.27896	0.2
150.85406	0.2
229.12563	0.3
265.14764	74.6
266.15088	4.4
268.39136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2172
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
50.02781	0.5
79.48428	0.5
96.96015	3.1
118.52024	0.5
136.21797	0.5
154.76608	0.5
247.20534	1.1
265.14774	2.2
265.21707	100.0
266.22064	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	266.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	25.3
59.58036	1.5
71.01357	2.3
71.56455	2.0
72.99322	2.1
85.02953	7.0
86.02478	70.3
86.03300	5.1
91.05534	49.6
96.00944	1.8
100.04021	7.3
112.01191	2.1
114.01979	9.3
117.03470	4.7
117.07107	10.7
119.05006	3.8
121.02909	1.6
130.02275	1.8
133.06595	76.5
134.03798	2.7
134.04729	6.8
134.06947	3.1
135.04497	6.6
140.85437	1.6
149.06062	2.6
156.03030	7.9
157.76366	1.7
161.06070	48.0
162.06474	2.1
163.04012	22.4
176.07156	2.5
186.05458	1.9
188.07143	13.6
206.08214	100.0
207.08537	4.2
207.80301	1.6
220.09785	64.4
221.10193	2.5
230.08197	23.5
231.08725	2.1
248.09264	77.2
249.09637	4.5
266.07721	2.6
266.10330	25.2
267.08768	5.6
267.12653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0719
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01864	1.6
55.15012	0.9
57.03448	4.4
58.00608	1.1
59.01380	34.2
60.68129	0.8
67.01895	1.1
68.99827	1.0
70.57932	3.0
71.01382	45.9
71.16851	0.7
72.99315	4.3
73.02964	3.0
75.00872	15.4
77.85337	0.8
83.01392	3.0
84.02190	1.4
85.02950	37.7
87.00878	19.6
87.01707	0.9
89.02444	17.3
91.04019	1.6
95.01395	6.9
99.00881	11.4
101.02459	7.4
103.00368	3.5
109.02927	1.2
111.00906	0.8
112.01672	1.4
113.02452	49.8
115.00382	1.7
117.01943	3.3
119.03506	2.4
129.01947	3.9
131.03474	1.2
149.04587	1.2
157.01477	1.2
161.04494	2.0
175.02504	2.8
179.11000	1.0
186.94681	0.8
191.05650	1.7
200.94411	0.8
205.07095	1.2
207.05130	2.4
223.02518	1.9
249.06219	5.2
267.07214	100.0
268.07513	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	267.0723
Annotation	formycin b
Peak:m/z	Relative Intensity
51.74978	0.4
54.56289	0.5
55.01871	1.0
57.03452	6.3
59.01379	26.3
62.45477	0.4
67.01871	1.0
69.03488	0.5
69.85732	2.5
71.01382	38.5
71.97049	0.4
72.53056	0.5
72.99308	5.2
73.02939	1.2
75.00873	17.3
78.14832	0.5
78.95912	0.5
83.01407	0.9
84.02142	0.5
85.02949	37.7
86.03281	0.5
87.00877	15.7
87.65248	0.4
89.02443	11.2
91.04007	1.5
92.96009	0.5
94.95668	0.5
95.01373	6.3
98.44325	0.4
99.00888	8.8
101.02449	1.3
103.00351	2.9
110.92627	0.5
111.00936	0.8
112.01657	1.4
113.02451	51.6
114.02796	1.3
115.00364	2.4
117.01930	3.2
129.01942	3.0
130.88934	6.1
131.03484	1.1
132.88652	6.0
133.88754	0.6
136.94008	0.5
144.86919	0.8
146.86671	8.6
146.93422	0.7
146.95197	0.4
148.86380	6.1
149.04546	0.8
151.00668	0.8
154.90633	1.6
156.90242	1.1
157.01408	1.4
161.70203	0.4
167.01970	0.7
169.01683	2.9
170.91383	1.0
175.02466	3.2
176.96233	0.7
194.97343	1.3
205.07193	1.0
207.05142	2.3
212.92433	1.8
222.99170	2.3
224.66492	0.5
248.84749	2.1
249.06151	5.0
250.06468	0.5
266.80588	1.7
266.83356	0.9
266.98212	1.4
267.07199	100.0
268.07529	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	267.1237
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
50.24699	0.6
57.03445	2.7
59.01378	100.0
60.99288	1.1
62.45391	0.6
71.01347	0.8
71.05038	1.5
79.95725	3.7
80.96559	0.8
83.05055	1.4
87.00874	1.7
98.19855	1.4
124.49729	0.7
139.17157	0.6
140.93268	1.1
145.86699	0.7
153.68999	0.8
161.13426	2.3
161.30370	0.7
163.11365	1.6
182.29689	0.7
187.11368	0.9
207.10278	2.4
223.13380	40.4
224.13792	2.9
231.47607	0.7
236.09602	3.5
267.12430	4.4
268.06989	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	267.1965
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
59.01365	2.6
61.38853	0.8
63.52142	0.7
68.32626	0.9
71.01361	1.6
71.55286	1.0
96.96015	1.5
98.95589	6.0
98.96464	1.4
101.02504	1.1
105.57922	0.8
113.02406	1.5
121.02985	1.0
161.04640	1.0
164.54219	0.8
249.18533	1.7
267.14874	4.5
267.19641	100.0
268.20004	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	267.2329
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
50.69442	0.5
51.80217	0.5
57.56972	0.5
61.08237	0.6
71.46873	0.7
98.95603	0.7
129.98618	0.5
130.94267	0.5
267.23285	100.0
268.23624	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	269.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95387	0.4
69.18728	3.9
76.62708	0.4
86.39437	0.3
96.76179	0.3
111.04546	0.4
157.08749	0.5
157.88753	0.4
158.03819	0.6
161.02390	0.9
174.03273	1.1
182.03693	2.5
185.02455	2.0
189.01971	0.4
195.83791	0.4
197.02454	1.0
198.03200	9.6
201.01930	0.9
202.02696	0.9
211.03981	6.1
213.01945	1.4
214.02594	0.4
225.01950	6.2
226.02705	100.0
227.03052	5.4
229.01381	0.9
239.03523	1.7
253.01410	30.3
254.02168	23.1
254.05814	6.0
255.02512	1.0
255.06288	0.7
258.01669	0.5
269.04541	88.3
269.13937	1.6
269.21240	1.2
269.24628	0.6
270.04828	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	269.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77824	0.4
71.05524	0.4
73.02996	0.4
79.18457	0.5
85.02943	0.4
93.03431	0.6
106.90829	0.4
134.03638	0.5
157.02893	0.4
158.03734	1.7
161.02403	1.9
169.02873	0.8
170.03711	1.5
171.04546	0.4
174.03186	1.0
176.01163	1.1
181.02933	0.8
181.06587	0.6
182.03728	2.5
185.02359	0.9
186.03198	1.5
189.02086	0.5
197.02368	2.2
198.03189	2.6
199.03870	0.8
200.04366	0.4
201.01920	0.5
202.02702	4.6
211.03996	3.5
213.01913	1.5
214.02713	18.7
215.03171	0.5
225.01958	6.5
225.05450	0.9
226.02704	21.6
227.03065	1.2
229.01357	1.6
230.02171	7.2
231.02486	0.4
237.01900	12.6
238.02280	0.7
239.03581	0.7
241.01611	0.5
241.05043	1.9
241.68404	0.4
253.01408	73.8
254.02156	44.6
254.05762	2.9
255.02516	2.2
255.06549	1.0
257.00894	7.6
269.04544	100.0
269.21286	1.1
269.24805	1.0
270.04877	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62648	0.2
53.60802	0.2
65.43601	0.2
70.62961	0.2
91.51951	0.2
98.20686	0.5
174.56633	0.3
182.03627	0.3
183.04529	0.5
196.16046	0.2
203.02664	0.3
210.03192	0.3
211.04001	100.0
212.04340	4.2
215.18527	0.2
239.03493	33.8
240.03902	1.5
243.79092	0.2
253.05296	0.3
254.05843	97.6
255.06172	5.7
269.08182	44.6
270.08521	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	269.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47955	0.3
59.01370	0.3
61.28813	0.3
70.46275	0.5
70.46660	0.5
79.11302	0.3
155.33542	0.3
211.03996	100.0
212.04330	4.0
239.03487	29.5
240.03899	1.4
248.60208	0.3
254.05838	95.4
255.06178	5.6
269.08182	52.5
269.21170	1.5
269.24869	1.0
270.08572	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	269.082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58774	0.5
64.09267	0.6
67.35081	0.5
69.62357	3.5
71.01416	0.8
72.79752	0.5
108.95280	0.5
129.05609	2.2
158.30887	0.6
183.04510	0.9
198.03302	0.7
200.73488	0.7
205.12421	0.7
211.04015	100.0
212.04300	4.7
225.05605	0.8
226.02731	2.4
239.03499	33.2
240.03868	1.9
241.05132	0.8
253.01492	1.3
254.05844	93.7
255.06227	5.6
269.04654	4.5
269.08176	33.0
269.17914	0.7
269.21252	3.7
269.24817	1.7
270.08551	1.9
285.12732	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	Amoenumin
Peak:m/z	Relative Intensity
58.10510	0.3
59.01380	0.5
71.01399	0.4
77.15338	0.3
80.14883	0.3
82.30898	0.3
121.53809	0.3
132.91786	0.3
175.23526	0.3
182.03697	0.6
183.04544	0.9
196.05246	0.5
197.06035	0.3
198.03270	0.7
210.03278	1.1
211.03998	97.8
212.04317	3.9
224.04770	2.6
225.01930	1.0
225.05553	10.4
226.02711	10.7
226.06177	0.8
227.03246	0.8
239.03487	9.2
240.03856	0.7
253.01465	3.3
253.05052	4.2
254.05835	100.0
255.03531	0.6
255.06181	6.0
269.04636	11.2
269.08160	71.3
269.21204	0.9
270.04947	0.9
270.08514	5.0
286.79410	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29721	0.2
66.10204	0.2
69.38612	0.2
69.38937	2.3
83.62317	0.3
103.16177	0.2
113.16331	0.3
130.47656	0.3
147.50807	0.3
183.04428	0.5
196.05310	0.6
197.05916	0.4
199.81726	0.4
210.03214	1.2
211.03992	94.2
212.04309	4.4
223.04024	0.5
224.04781	2.7
225.05556	11.5
226.05997	0.7
239.03505	4.7
241.14290	0.3
253.05038	4.2
254.05830	100.0
255.06168	5.8
269.08176	62.1
269.12881	0.4
269.14166	0.6
269.21176	0.5
270.08493	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70888	1.4
55.01883	11.1
57.03452	7.6
58.00588	2.5
59.01381	55.9
71.01386	100.0
71.70267	1.4
72.99313	6.5
73.02953	38.8
73.37345	1.4
75.00873	2.7
83.01380	19.2
85.02956	52.5
87.00879	4.7
87.59792	1.3
89.02444	4.5
95.01373	8.4
97.02944	3.9
98.19833	3.3
99.00896	15.2
101.02447	86.1
113.02457	39.2
119.05078	1.6
125.02393	2.0
143.03453	3.0
159.02966	6.0
161.04573	27.3
162.71382	1.5
173.47588	1.4
207.42903	1.9
236.46423	1.6
269.04553	5.2
269.07785	1.8
269.10358	6.2
269.21066	1.8
279.13776	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	270.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56291	0.2
61.28441	0.2
64.97025	0.2
70.50166	0.6
71.01377	0.3
76.39661	0.2
79.95737	11.5
80.96515	1.3
85.02951	0.2
94.98145	0.2
106.98103	1.0
108.02193	2.9
109.02959	0.4
110.10613	0.2
119.04970	0.3
124.00745	100.0
125.01116	0.6
125.02452	0.6
134.09908	0.2
136.27977	0.2
140.01205	0.3
144.04546	2.0
145.03017	0.2
149.02470	0.3
157.64851	0.2
164.01212	0.3
179.87311	0.2
185.06076	0.5
188.03526	0.7
193.31523	0.2
195.04556	0.3
196.03430	0.3
197.06107	0.3
212.04903	0.5
213.05557	1.6
223.04039	0.2
228.01709	0.2
240.04271	0.3
241.05069	4.3
256.07410	3.1
270.04440	11.6
270.95670	0.2
271.04968	0.3
271.09875	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	270.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
59.96193	0.7
61.98843	1.3
71.56188	0.9
72.99307	0.8
73.02940	0.7
77.57442	0.7
79.95737	48.3
80.96519	27.7
82.03059	0.6
85.02921	0.9
94.98110	0.8
106.98081	15.1
108.02195	7.7
109.02926	1.2
119.05012	4.0
124.00743	100.0
125.02469	1.9
137.57858	0.7
145.18449	0.7
162.05624	2.3
164.01123	1.5
168.03842	1.2
174.01784	0.8
182.01781	0.8
185.06026	1.1
195.02870	1.2
195.04517	0.9
196.03362	3.6
212.04649	0.8
213.05533	3.2
224.02841	0.9
238.00858	0.9
240.04259	0.9
241.05055	7.2
242.03876	2.3
255.06573	2.0
256.07440	5.7
269.04874	0.7
270.04410	96.8
270.09412	2.6
271.04636	5.0
271.09747	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	271.0612
Annotation	Protosappanin A
Peak:m/z	Relative Intensity
59.01368	1.1
67.01883	2.0
68.99783	1.9
69.03438	4.6
69.62740	6.1
70.34597	1.1
71.01366	2.8
77.03976	1.3
83.01395	11.5
85.02918	1.7
85.68421	1.2
93.03466	15.1
95.01359	3.0
95.05049	7.3
97.02946	2.7
98.19953	1.3
99.00865	1.2
99.46464	1.0
105.03439	3.1
108.01572	1.2
108.02185	15.9
109.02961	18.6
109.06582	1.1
111.00858	1.6
119.04999	2.3
120.02200	5.7
121.02979	6.2
123.00858	2.3
123.04529	49.8
123.08099	1.8
124.01669	5.8
125.02464	7.1
125.09729	7.3
130.04153	1.3
131.05035	2.1
132.02164	1.2
133.02962	25.7
133.06555	3.7
136.01657	1.5
137.02444	100.0
138.02750	1.4
139.03964	3.8
143.04956	2.0
145.02896	3.1
146.03761	7.2
147.04408	3.1
149.02403	4.6
150.03185	1.4
151.00331	1.4
153.05464	1.5
153.09161	2.2
156.05780	2.2
157.06616	9.5
158.03709	2.0
159.04503	10.1
160.05241	1.4
161.06084	11.6
163.00331	4.3
164.01157	75.7
165.01945	29.1
171.04488	1.0
173.00731	1.2
173.05981	2.6
174.01581	2.1
175.07503	1.3
177.01863	2.2
181.06566	1.0
183.04507	5.5
183.08067	1.8
184.05171	3.2
184.94191	1.0
185.06068	24.2
187.04060	5.6
188.04720	1.9
197.07913	1.6
199.07617	8.3
200.08002	1.3
201.01837	1.3
201.05562	4.8
203.07155	38.1
208.05202	1.3
209.06018	2.9
211.03983	1.7
212.04706	4.0
213.05438	3.2
225.05421	2.9
227.03673	6.0
227.07121	15.6
227.09244	1.9
228.02214	1.5
228.04259	22.0
228.07666	1.1
229.04941	7.2
241.05014	5.1
243.06561	11.4
253.05040	4.9
256.03998	1.2
256.07370	5.2
271.02518	5.1
271.05991	79.5
271.08304	6.5
272.06305	5.0
280.78522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	Pinobanksin
Peak:m/z	Relative Intensity
59.01366	0.7
61.48882	0.4
62.40126	0.4
63.02399	11.4
65.00323	18.3
67.06450	0.5
68.99780	0.6
71.01394	1.0
79.11979	0.4
83.01387	11.7
85.06621	0.4
90.82796	0.4
93.03458	15.2
107.01388	29.1
108.02196	8.6
109.02961	1.5
113.02495	0.5
117.03462	0.4
119.05027	75.6
120.05365	3.0
121.02936	0.9
125.02436	5.2
133.02940	0.6
137.02411	1.0
143.04996	1.4
145.02921	2.1
151.00366	74.7
152.00691	1.6
161.06065	1.6
164.01266	0.4
165.01906	3.9
169.01416	3.6
169.67244	0.5
177.01935	10.0
185.06105	2.2
187.04018	2.4
195.04459	0.5
203.07234	0.5
211.04025	0.5
213.05554	14.3
227.07108	1.4
229.05089	0.8
239.03476	0.6
241.05081	15.8
242.05252	0.7
255.06630	0.8
256.07404	21.6
257.07690	0.6
271.06119	100.0
271.09583	9.2
272.06543	6.0
272.09509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	0.8
69.52867	1.9
71.01392	0.3
77.03969	1.4
83.01381	1.4
84.48997	0.3
90.14007	0.4
92.18581	0.3
93.03461	2.3
95.01388	1.0
97.02950	4.9
98.20653	0.7
99.31705	0.3
108.02174	5.5
109.02968	1.8
116.42202	0.3
120.02180	6.0
121.02978	5.8
121.74798	0.3
125.02444	2.1
127.69763	0.3
135.00766	0.4
136.01639	0.7
137.02449	24.8
138.02759	0.9
152.51222	0.3
163.00378	4.7
164.01161	75.0
165.01932	100.0
166.02264	2.3
197.00714	0.3
203.05432	0.4
213.05585	2.5
225.05582	0.5
239.03580	0.5
241.05064	3.2
243.15979	1.5
256.07373	2.7
265.14752	0.4
271.06140	5.6
271.09732	1.7
271.15454	0.4
271.22781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	3,6,9-Trihydroxypterocarpan
Peak:m/z	Relative Intensity
56.19652	0.2
71.16312	0.5
71.16653	0.5
71.74786	0.3
76.43212	0.3
90.99972	0.2
108.02158	2.0
108.19385	0.2
109.02969	0.4
125.02441	0.7
127.96780	0.2
128.95406	0.2
158.03708	0.6
161.02446	0.5
167.05099	0.4
174.91690	0.2
176.88795	0.2
182.03680	0.5
183.04500	2.0
184.05188	0.3
185.06046	1.0
195.04417	1.3
196.05261	0.7
197.06062	0.6
199.03998	0.7
210.03125	1.5
211.03983	8.3
212.04549	1.6
213.05553	37.0
214.05954	1.4
223.03958	0.7
224.04726	0.6
226.02766	0.4
227.03491	2.8
227.07240	0.9
228.04236	0.4
235.13396	0.3
238.02708	0.9
239.03482	36.9
240.04216	11.2
241.05043	42.6
242.05487	1.8
243.06552	0.4
255.02927	0.9
255.06569	1.1
256.03958	1.7
256.07388	48.2
257.07724	2.1
271.06104	100.0
271.09665	25.2
272.06442	6.2
272.10046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Arbutin
Peak:m/z	Relative Intensity
54.15981	0.4
55.01863	0.5
57.03465	0.4
59.01377	1.1
69.77720	1.4
71.01384	7.6
72.47116	0.3
73.02944	2.3
83.01392	0.8
85.02956	3.4
89.02457	0.6
95.01398	1.4
99.00881	1.2
101.02438	4.5
108.02177	100.0
109.03005	11.5
113.02458	3.4
121.02937	1.2
122.03769	0.4
123.00905	0.7
123.04534	1.8
125.02446	0.7
133.02945	1.3
151.04025	4.6
159.02946	1.1
161.04562	4.4
163.04053	1.7
196.20930	0.4
271.08249	0.6
287.26193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36681	0.4
69.67629	0.4
71.01404	0.7
71.56055	0.7
97.02951	0.4
99.20896	0.4
108.02182	5.4
109.02950	1.6
117.03466	0.4
119.05042	0.5
125.02456	5.6
134.73259	0.5
137.02513	0.5
157.06610	0.5
185.06126	1.1
190.82617	0.4
195.04474	0.6
196.05095	0.4
198.03117	0.6
199.03883	0.5
211.03978	1.2
212.04703	0.8
213.05582	71.7
214.05952	3.7
240.04372	0.7
241.05075	73.7
242.05450	3.5
255.06705	1.8
256.07422	100.0
257.07718	6.3
271.06442	1.5
271.09775	45.4
271.19244	1.0
272.10089	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	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29265	0.5
79.52934	0.5
80.87000	0.5
144.16971	0.5
154.15977	0.5
185.06018	0.8
211.03969	1.1
213.05566	56.2
214.05942	2.7
230.34694	0.6
241.05063	57.6
242.05461	2.7
244.85655	0.5
255.06606	0.8
256.07404	100.0
257.07770	4.7
271.09760	59.5
272.10077	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70189	0.3
71.01409	0.3
78.66676	0.3
100.84940	0.3
101.02431	0.3
108.02175	2.8
109.02944	0.3
119.05003	0.4
125.02444	1.6
133.03006	0.4
185.06065	1.2
186.24873	0.3
195.04538	2.1
203.58940	0.3
211.03944	0.4
212.04813	0.6
213.05563	59.6
214.05901	2.8
217.82959	0.4
223.03972	0.4
223.33385	0.4
241.05052	75.9
242.05380	5.0
243.02983	0.5
255.06482	0.6
256.07401	100.0
257.07736	6.7
265.64917	0.3
271.09741	42.9
272.10132	2.6
284.28436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
71.12545	0.6
78.42316	0.3
85.61391	0.3
101.02462	0.3
108.02175	3.0
109.02956	0.7
125.02438	4.3
171.04485	0.4
180.07227	0.3
185.05948	0.4
195.04503	0.8
196.05394	0.4
197.05981	0.4
211.13393	0.5
212.04742	0.7
213.05560	67.2
214.05881	3.3
221.55031	0.3
240.04196	0.7
241.05057	64.9
242.05359	3.4
255.06540	1.6
256.07397	100.0
257.07724	6.8
271.09747	43.3
272.10089	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	271.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66104	0.2
62.63070	0.2
62.63387	0.2
71.10415	0.7
72.88860	0.3
108.02196	0.9
111.35957	0.3
120.02105	0.2
125.02469	0.7
137.02435	0.5
164.01141	1.7
165.01918	1.5
185.06067	0.9
193.20662	0.3
195.04465	0.6
196.05301	0.3
198.03200	0.4
210.03212	0.4
211.04002	1.3
212.04759	0.9
213.05562	66.5
214.05931	3.5
226.45609	0.3
227.07224	0.5
239.03461	2.3
240.04247	1.6
241.05058	70.9
242.05402	4.6
255.06604	2.2
256.07401	100.0
257.07739	6.3
271.06198	7.3
271.09726	50.3
272.07208	0.4
272.10056	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	273.0074
Annotation	Ferulic acid 4-sulfate
Peak:m/z	Relative Intensity
59.01375	0.7
64.06943	0.4
65.00332	2.7
69.23869	3.1
69.24294	0.9
71.01379	0.9
77.03957	0.8
79.95734	1.2
80.96519	12.6
83.01385	1.6
87.00874	1.3
91.50829	0.4
93.03459	1.6
95.05024	3.1
97.02972	0.4
105.03466	2.9
106.04224	0.8
107.01379	2.2
115.00369	1.8
117.03487	0.7
121.02958	1.0
123.04527	53.7
124.04867	1.5
125.02449	0.5
133.02959	100.0
134.03278	3.6
135.04538	0.7
149.02470	1.3
151.00383	4.4
156.48566	0.4
159.04472	0.6
161.02448	1.3
164.04886	0.5
175.02504	2.6
178.99902	1.2
193.05052	54.9
194.05408	1.9
201.05539	0.7
212.98640	7.9
240.09167	0.5
245.04530	7.9
255.94669	0.4
258.05319	0.9
273.00793	35.1
273.04059	4.7
273.07458	1.3
274.01163	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80277	4.6
53.14250	3.9
53.21503	4.2
59.01367	8.1
69.03439	7.9
69.80637	25.2
70.44406	4.2
71.01364	7.2
75.00864	9.1
80.91686	100.0
81.03419	4.3
87.00864	6.1
93.03414	5.7
94.92494	6.5
95.01394	8.9
98.81135	4.5
99.00892	11.1
102.71125	4.3
111.00819	8.8
112.98767	8.8
121.34387	4.2
127.00339	11.3
135.02879	5.1
139.00328	4.4
173.00928	5.3
191.05591	50.7
223.41412	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	273.0769
Annotation	EPIAFZELECHIN (2R,3R)(-)
Peak:m/z	Relative Intensity
57.03437	1.1
67.01904	0.4
68.99841	0.4
69.03449	3.5
71.56329	0.5
76.62595	0.3
76.86662	0.3
79.95740	0.7
80.02680	1.5
81.03454	4.5
83.01379	2.5
83.05024	0.6
87.00871	1.0
89.55423	0.3
93.03458	12.5
94.03738	0.3
95.01394	1.1
95.05026	12.8
96.02185	0.4
96.05371	0.3
96.95983	0.3
97.02949	59.4
97.12871	0.3
97.91574	0.3
98.03258	1.1
98.03819	1.7
99.04529	0.7
105.03457	0.3
106.04266	0.5
107.05030	4.2
108.02169	0.5
109.02944	0.5
111.04520	1.3
115.00346	0.3
117.03466	0.3
119.05037	3.8
121.02960	1.0
122.03731	1.3
123.00880	0.9
123.04526	12.5
124.01670	0.9
125.02436	2.5
130.04201	0.3
131.05075	0.6
133.02953	9.5
133.06569	0.7
134.03741	6.9
135.04524	8.7
137.02438	5.5
138.03236	5.0
139.04018	9.2
143.04962	1.0
145.02995	0.4
145.06642	1.4
146.03688	0.4
147.04535	3.3
149.02409	0.6
149.06082	0.7
151.04005	0.9
157.06641	0.4
159.04526	1.0
159.08186	0.6
160.05292	0.5
161.06079	3.4
163.07707	0.4
164.01126	1.8
164.04727	0.4
165.01952	0.7
166.02713	4.9
167.03479	0.9
169.06689	0.3
171.04501	2.3
172.05318	1.3
173.06017	0.4
175.02458	0.5
175.03917	0.5
179.03511	1.6
183.08273	0.3
185.06017	1.5
186.05353	0.4
186.06868	3.4
187.07639	13.8
188.04810	0.5
188.08012	0.6
189.05569	15.8
190.05923	0.8
193.05055	3.2
193.07692	10.5
194.08101	0.7
201.05518	1.0
201.09320	0.5
205.08681	14.8
206.09068	0.7
211.07713	0.5
213.05515	1.6
214.06274	1.8
214.18396	0.3
215.03552	0.8
229.08685	15.4
230.05896	0.4
230.09044	0.8
231.06584	3.5
232.06885	0.5
255.06589	4.9
256.07095	0.4
273.00818	2.3
273.03305	7.6
273.07669	100.0
274.03577	0.7
274.08020	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	273.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	1.8
59.01384	1.9
67.92417	0.5
70.02951	1.5
70.03347	1.8
71.01388	2.0
73.04073	5.0
79.95750	0.9
83.01372	0.6
87.00882	2.8
87.56258	0.6
93.03426	0.7
95.05026	0.6
97.02965	2.6
98.02477	10.1
98.19887	0.6
115.00362	4.6
115.05161	0.9
123.04540	3.0
130.08746	100.0
131.09097	2.5
133.02960	2.4
134.03761	1.4
139.04007	0.6
141.10333	0.7
143.11909	93.7
144.12268	1.8
147.04506	0.7
164.04865	1.2
164.07181	1.1
175.02458	4.5
185.12971	9.1
187.10878	1.9
193.05064	4.5
213.07762	0.6
229.11929	92.2
230.12192	3.8
245.04501	0.9
273.00916	2.9
273.03677	0.8
273.07446	3.1
273.10156	1.2
273.14557	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	275.041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17136	1.0
55.01878	1.2
56.70804	1.0
57.03436	4.9
59.01386	6.4
62.42524	1.2
67.01878	3.8
69.03452	6.6
69.90190	1.2
71.01382	19.2
71.54668	1.6
72.99293	5.2
73.02953	7.0
73.04076	3.0
74.02471	2.9
75.00865	4.1
76.29970	1.2
78.68830	1.1
79.01892	4.3
81.03471	5.4
83.01385	11.8
83.05037	2.8
85.02952	15.4
86.02487	1.4
87.00870	9.4
87.04496	1.5
88.04038	3.0
89.02444	2.0
93.03459	3.5
95.01389	14.8
95.05032	2.6
96.04559	1.0
97.02975	8.5
98.02469	1.5
99.00888	12.1
99.04515	1.9
99.74185	1.1
101.02450	9.5
105.01937	5.9
107.01381	3.8
109.02943	7.9
111.00878	8.3
111.04524	4.7
112.01668	10.0
112.98784	5.2
113.02447	19.5
115.00374	10.5
115.04025	3.1
115.05129	6.0
116.03533	1.4
121.02962	1.9
123.00887	16.0
123.04498	2.8
125.02441	15.1
127.00372	12.8
127.04019	5.4
129.01938	5.9
129.10347	1.6
132.03127	1.5
135.00882	6.6
135.03029	1.6
137.02455	5.3
139.00340	2.9
139.04018	4.4
141.01938	7.4
142.99846	2.4
143.03503	5.6
145.01431	2.3
149.02446	1.6
151.00381	33.3
151.03975	2.2
153.01892	5.7
154.99847	5.2
155.03522	3.4
159.02975	2.9
165.01921	2.6
166.99739	1.4
167.03493	7.8
169.01424	8.6
169.05090	1.4
171.02956	2.0
173.00909	1.4
173.04546	1.4
173.09221	1.3
175.02498	6.8
177.01869	1.6
178.99858	100.0
180.00250	2.4
183.02954	1.8
185.00868	3.9
185.04558	3.4
187.02435	3.3
190.99760	1.4
195.02902	6.2
197.00961	2.8
197.15451	1.1
203.05666	3.0
213.04039	1.6
215.01936	2.3
227.75037	1.1
231.06151	2.3
239.01971	4.5
245.13313	1.4
257.03067	2.3
275.04080	41.3
275.07800	11.5
275.14087	1.4
276.04434	1.6
286.92139	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1227
Annotation	Pantetheine
Peak:m/z	Relative Intensity
52.62900	0.5
58.02967	3.7
59.01382	3.6
64.17149	0.6
70.02979	12.3
71.01388	2.3
71.05024	22.9
71.55579	0.7
72.00915	0.8
79.95762	0.7
80.96493	1.1
85.02984	0.7
87.05640	7.5
89.02455	0.7
93.03416	0.5
96.96008	0.8
99.04522	7.0
101.02454	1.2
115.00421	0.9
115.05122	2.2
116.07164	4.0
119.05032	1.2
121.02959	1.4
129.05579	2.1
130.03328	10.2
145.06561	0.7
146.08232	100.0
147.05974	5.8
147.08527	3.4
161.02415	1.1
163.04074	0.9
165.01921	0.8
173.06050	1.0
175.03967	1.5
189.05583	0.7
191.03358	0.6
204.04276	1.0
205.05038	6.6
206.05484	0.6
217.11917	25.4
233.04500	3.5
243.13480	0.8
249.07774	0.7
277.03867	1.0
277.07504	7.7
277.12253	38.0
277.21692	18.3
278.07031	1.0
278.12558	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	277.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03455	1.5
58.84531	1.1
59.01379	100.0
69.65379	7.9
71.01379	9.5
71.05035	1.6
73.02934	2.5
75.68672	1.0
79.25565	1.1
79.95735	1.2
80.96498	1.3
83.01389	2.1
85.02943	8.6
86.71666	1.1
87.00873	1.3
89.02479	1.9
95.01392	1.3
96.96011	2.2
99.00867	2.0
101.02444	9.4
113.02457	5.1
119.05023	2.8
121.74654	1.2
131.03526	3.0
133.06581	1.4
133.10295	1.2
134.03651	1.3
145.02951	3.2
146.08203	4.7
149.06073	1.1
161.02437	1.7
161.04550	3.9
163.04033	1.5
170.56580	1.4
177.06680	1.4
189.06725	1.8
189.09180	1.7
217.12062	1.4
233.08337	1.4
235.11856	12.0
253.31465	1.3
277.04004	2.2
277.07422	4.8
277.21716	20.1
282.61798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01374	2.2
63.68469	0.4
69.80296	1.2
69.80701	0.8
71.01376	1.2
73.02967	0.5
107.08685	0.3
127.07672	0.6
259.20758	0.3
275.20218	0.6
277.21707	100.0
278.22040	8.0
298.50604	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
58.39975	0.4
59.01374	1.9
59.41351	0.4
70.87353	0.7
71.01398	0.4
87.01378	0.4
90.66306	0.4
124.68001	0.5
176.72386	0.4
190.37178	0.4
225.99104	0.4
233.22800	0.9
277.21710	100.0
278.22067	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	277.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88756	0.4
55.40990	0.4
59.01374	1.8
71.01418	0.5
71.18642	0.7
87.77293	0.4
107.92117	0.4
143.28290	0.5
166.69153	0.4
233.22728	0.6
277.21713	100.0
278.22034	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	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
50.00677	0.4
55.46704	0.4
59.01372	1.4
67.29626	0.4
70.87080	1.1
209.46768	0.5
230.13779	0.5
233.01146	0.5
233.22745	0.6
275.20251	0.4
277.21713	100.0
278.22086	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	279.1086
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
57.03456	1.6
58.00597	4.1
59.01380	100.0
60.99303	1.0
69.85645	2.7
69.86054	3.3
71.01383	64.1
72.01706	1.0
72.99303	5.9
73.02958	2.5
73.93452	0.9
79.95729	2.2
80.96508	2.9
83.01409	3.1
85.02953	13.2
87.00867	2.3
89.02447	82.8
93.03464	2.2
95.01384	4.5
96.96040	1.7
99.00886	5.7
99.04527	1.9
101.02444	39.9
107.05017	3.4
107.65003	0.9
113.02457	28.3
116.07169	2.1
117.05587	5.8
119.03503	35.0
119.04904	1.7
121.02937	2.3
126.78706	0.9
127.08760	1.5
128.33800	1.1
131.03500	2.8
134.03677	2.0
135.04477	3.7
143.03499	3.1
147.04530	3.0
149.04561	2.2
161.04530	3.0
173.05969	1.7
176.04626	2.3
179.05635	3.8
182.29449	1.0
191.07141	3.6
208.31224	1.0
219.03023	1.4
221.04614	2.3
234.58911	1.0
279.05356	3.9
279.10831	24.8
279.13596	11.4
279.23273	22.1
280.11310	1.9
280.23529	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1966
Annotation	Aignopsane Ketal
Peak:m/z	Relative Intensity
57.03455	8.9
59.01379	3.9
61.10987	0.9
70.40003	1.1
70.40349	2.6
71.01380	1.4
81.03463	2.4
83.01389	9.3
101.02452	1.2
115.91949	1.0
123.04476	1.0
125.02449	100.0
126.02784	3.2
149.02516	1.3
153.09206	3.3
167.03487	1.1
217.19608	2.5
244.71945	0.9
279.12390	3.4
279.19659	63.4
279.23233	24.4
280.19949	5.4
280.23145	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01366	1.1
61.98805	0.3
63.27568	0.3
71.01382	0.4
71.26667	0.6
96.96031	3.5
97.09221	0.3
115.92104	0.3
118.97417	0.3
122.11832	0.3
170.88380	0.3
247.15897	0.3
261.22351	0.4
279.16907	3.3
279.23285	100.0
280.23642	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	279.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99948	0.2
59.01371	0.5
71.45321	0.4
75.44503	0.2
76.26131	0.2
131.60913	0.2
141.43321	0.2
261.22217	0.6
279.23279	100.0
280.23636	8.8
280.26715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00845	0.2
50.23152	0.3
51.36697	0.2
59.01381	1.0
69.41270	0.4
69.41676	1.5
69.82095	0.2
70.34167	0.2
76.76642	0.2
83.05046	0.3
83.35451	0.2
90.09087	0.2
96.96017	1.5
98.68813	0.2
115.92031	0.2
124.84399	0.2
128.14787	0.2
137.54340	0.2
160.43678	0.3
174.00877	0.3
192.61145	0.2
208.72366	0.2
235.09984	1.2
261.22195	0.4
279.17017	2.6
279.23291	100.0
280.23639	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
65.31279	0.3
68.32199	0.3
69.71971	2.1
108.09848	0.3
120.24249	0.3
133.98775	0.4
212.30557	0.3
261.22098	0.3
279.23273	100.0
280.23605	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	281.015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	9.9
59.01375	27.8
60.99314	15.6
71.01387	52.9
72.99323	11.1
75.00865	8.1
85.02945	38.0
85.69349	7.1
87.00881	15.8
87.18794	6.9
88.98814	100.0
89.02459	10.2
93.03519	7.6
96.96018	12.0
97.02881	6.7
113.02470	46.6
119.03513	7.6
128.54660	6.3
145.01411	17.1
267.14893	7.0
281.08835	35.0
281.24863	9.2
297.53870	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	281.0456
Annotation	Flaccidinin
Peak:m/z	Relative Intensity
53.74725	0.2
54.14350	0.2
59.01383	2.0
59.86968	0.2
60.91948	0.2
71.01376	0.6
94.11593	0.2
98.20645	0.5
101.02454	0.3
114.49140	0.3
137.02452	0.3
172.07654	0.2
182.03746	0.8
210.03226	1.1
213.01935	0.4
217.76349	0.2
237.01917	2.6
238.02696	5.5
265.01407	3.7
266.02182	100.0
267.02512	6.4
281.04535	59.9
281.24686	2.1
282.04846	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.0
58.00591	5.8
59.01374	14.9
67.01871	2.2
68.99812	2.4
70.68359	5.2
71.01376	5.5
72.99292	4.0
73.02952	1.7
74.69779	1.9
75.00875	9.3
76.50273	1.9
83.01385	18.2
83.42602	2.0
84.85461	1.7
85.02940	5.9
87.00865	6.5
93.03458	100.0
94.03797	2.9
99.00879	19.0
99.61784	1.9
107.05017	6.4
111.00896	13.6
113.99589	46.4
115.00383	42.5
119.04250	2.8
119.05032	40.3
121.02879	2.4
121.06596	2.3
122.61349	1.8
123.04517	9.0
127.00347	2.2
129.02032	2.4
131.04930	2.2
133.02026	3.5
133.02956	31.2
134.03706	1.9
135.04538	13.8
137.02499	1.7
139.00412	14.1
147.03023	1.8
147.04491	9.7
149.06071	16.4
151.04094	1.9
156.00661	4.9
157.01427	28.6
161.06003	2.6
163.04021	19.2
164.78793	1.8
165.05574	37.1
166.05846	2.2
175.03951	4.1
177.05580	15.7
181.05049	13.7
191.03535	2.4
193.05019	22.6
201.05542	2.8
203.03513	4.3
205.05054	3.4
207.06700	3.4
217.05031	3.2
219.06544	3.1
220.23398	2.4
221.04526	42.3
222.04836	3.0
281.06787	3.7
281.24832	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	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03459	0.7
59.01376	5.7
61.23972	0.7
70.05260	2.3
71.01388	3.8
72.99303	1.9
73.02949	5.8
75.00879	6.1
77.39808	0.6
81.03477	0.8
83.01387	1.1
85.02955	2.5
87.00882	11.0
89.02437	2.0
93.03454	2.4
95.05031	1.4
96.96022	1.3
99.00842	0.9
101.02445	1.9
107.05052	1.1
107.06565	0.6
110.69353	0.7
113.02431	1.2
114.20306	0.6
117.01944	12.6
117.03449	0.6
119.05029	60.3
120.05350	2.8
121.02942	1.6
123.04520	2.8
125.02473	1.8
133.02937	2.6
133.06538	0.7
134.03703	0.9
135.03001	16.6
135.04524	7.9
137.02440	2.3
137.06113	1.6
139.04022	1.7
145.02983	1.3
148.05350	1.0
149.02359	1.5
149.06111	2.3
151.00362	1.3
151.04016	1.0
161.02467	6.8
161.04541	1.1
163.04012	100.0
164.04333	4.5
165.01947	0.8
165.05536	1.3
167.03462	2.7
171.11586	0.8
177.01915	1.2
177.05641	3.2
178.49934	0.8
179.03494	7.4
193.01425	1.8
193.04993	1.0
197.04723	0.7
209.04504	4.5
221.01012	1.6
221.04562	5.0
235.06114	1.1
237.11316	1.1
239.05693	1.3
263.05521	0.9
281.03073	2.9
281.06711	14.1
281.10110	1.2
281.13986	1.6
281.24835	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	281.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01727	1.2
70.56049	1.1
70.56387	2.0
71.01381	5.3
73.02946	2.0
75.00882	1.1
75.54010	0.9
76.18063	0.9
78.41517	0.9
80.96507	1.4
83.01377	1.7
85.02934	2.1
85.11153	0.9
87.00907	1.4
87.64150	0.8
89.02428	2.9
93.03451	6.6
99.00883	1.9
101.02446	4.2
113.02428	2.5
113.99586	3.0
115.00366	3.8
119.03513	1.2
119.05004	2.8
131.38472	1.0
133.01540	2.4
133.02905	1.8
150.04204	6.6
161.04538	2.0
163.04015	2.2
165.05576	2.4
175.02457	2.4
188.07195	1.4
211.18431	1.1
221.04520	2.7
221.10316	3.5
226.87616	0.9
281.06708	2.3
281.24854	2.4
282.08463	2.7
303.85629	1.1
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	Carolenalol
Peak:m/z	Relative Intensity
55.01874	2.4
57.02116	0.9
57.03449	17.6
57.17800	0.8
58.92571	0.9
59.01381	13.2
61.04863	0.7
63.28684	1.0
65.03972	4.4
69.03442	2.6
71.01375	3.0
71.03838	1.4
71.05034	2.2
72.99348	1.1
73.02949	2.3
75.00862	1.2
77.92248	0.9
81.03461	1.9
83.05022	17.3
85.02955	2.7
85.77061	0.9
87.00872	22.4
89.02444	1.1
93.03460	4.6
95.01390	1.2
95.05028	5.7
96.95997	1.8
97.02951	2.6
97.06571	1.3
97.56174	0.8
98.03733	1.2
99.04501	1.1
99.94431	0.8
101.02421	0.9
101.06087	1.2
106.04285	1.2
107.05031	1.1
107.08681	1.0
109.02937	1.9
109.06604	1.4
111.04520	6.5
111.08151	3.7
113.06083	1.8
116.37498	0.9
117.01965	3.2
117.13418	0.8
118.57214	0.9
119.05035	18.6
119.08665	3.0
121.06613	11.8
122.03722	1.0
123.04509	0.9
123.08163	35.6
124.05268	3.2
124.08459	1.9
125.02465	1.2
125.09664	1.8
129.07109	1.4
133.02928	2.8
133.06558	1.2
135.03029	7.4
135.04536	6.4
135.08170	2.1
137.02422	2.5
137.06082	3.5
137.09723	5.0
138.06862	1.9
139.04066	1.2
139.07654	5.7
145.02921	1.1
145.06680	1.0
145.10246	5.4
149.06088	2.8
151.07675	4.3
153.09189	5.2
161.02451	4.8
161.04539	1.2
163.04016	29.2
163.11270	1.4
164.04301	1.2
165.05458	1.0
165.09137	0.9
167.03458	1.9
169.08856	1.7
169.10242	4.3
171.11798	40.8
172.12105	2.0
175.11305	1.9
177.05569	2.7
179.03470	4.8
185.09637	1.1
189.12871	15.6
191.03503	1.5
193.04973	1.1
201.11150	1.5
201.12877	15.4
202.13097	1.1
207.13881	8.7
219.13855	6.9
221.04524	5.5
237.14961	62.3
238.15225	4.3
241.20714	0.8
245.87373	0.8
266.24103	0.8
281.07001	11.6
281.13947	100.0
281.24792	6.3
281.68372	0.8
282.14316	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	281.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61260	0.2
59.01369	1.0
60.03397	0.3
62.41876	0.2
70.06373	1.1
71.01381	0.5
98.19937	0.4
101.02408	0.3
107.78820	0.3
237.99182	0.3
281.24838	100.0
282.25192	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	281.2483
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
53.97844	0.2
56.39799	0.2
56.42111	0.3
59.01373	1.9
60.93496	0.2
61.98813	0.4
71.01374	0.3
71.10696	0.5
93.03510	0.2
102.62847	0.3
106.75587	0.3
116.92870	0.9
137.02452	0.4
145.56120	0.2
155.07115	0.2
160.06288	0.3
161.04552	0.3
217.87181	0.3
237.99495	0.4
281.24838	100.0
282.25183	7.7
282.28314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2485
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
65.60496	0.4
71.18738	0.8
97.08029	0.4
123.09525	0.5
125.06654	0.4
281.24850	100.0
282.25211	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	282.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17915	0.3
59.01383	1.3
61.98821	0.4
66.00966	0.6
69.57917	1.6
71.01385	1.1
77.94530	0.2
78.00983	0.3
82.04098	0.9
84.00139	0.3
85.02934	0.4
89.02425	0.4
94.91701	0.4
98.20642	0.3
101.02440	0.5
107.03632	4.1
108.02040	10.0
113.02438	0.4
124.89088	0.3
126.03091	3.8
130.08733	0.6
133.01563	31.3
134.01883	0.6
150.04211	100.0
151.02687	0.3
151.04703	1.5
152.01137	0.2
186.97685	0.2
216.92207	0.3
221.98045	0.6
282.08438	27.1
283.08401	1.4
283.26447	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91196	0.3
68.00601	0.3
69.25095	2.4
69.25504	0.7
76.46259	0.3
81.48005	0.3
85.45193	0.4
125.03964	0.8
133.26212	0.3
139.30746	0.3
141.03453	0.6
153.03415	0.6
157.02979	0.6
165.03427	1.1
169.02979	1.4
181.02905	2.6
185.02415	0.9
197.02420	3.7
199.04002	3.0
201.01926	0.8
209.02434	17.7
210.03047	1.8
213.01819	0.4
215.03505	2.6
224.01279	0.8
225.01926	28.0
226.02232	1.6
229.01442	0.4
235.66541	0.3
252.00598	0.8
253.01421	100.0
254.01741	6.5
268.03769	63.3
269.04111	4.0
272.24796	0.3
283.06134	21.7
283.26428	5.7
284.06509	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
71.01381	0.4
145.02939	0.4
169.02991	2.4
181.02954	1.1
185.02351	0.7
197.02419	11.0
198.02773	0.6
209.02460	1.7
213.01880	0.5
225.01930	68.3
226.02263	4.3
229.01422	1.4
229.70882	0.6
239.42885	0.5
241.01343	0.8
252.00665	1.7
253.01418	90.4
254.01752	6.0
268.03766	100.0
269.04102	7.7
283.06122	52.2
283.08585	0.9
283.26416	13.4
284.06467	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
53.14472	0.3
64.73589	0.4
65.56456	0.4
69.25916	0.4
69.26228	4.2
72.62589	0.4
73.68920	0.4
107.05029	100.0
108.05360	3.1
163.11287	96.8
164.11636	4.0
174.15935	0.5
206.00294	0.4
283.17032	85.9
283.22928	2.5
283.26370	26.2
284.17380	6.9
284.26785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.41278	0.1
55.68119	0.1
59.01358	0.1
61.77274	0.1
63.02396	0.9
65.00316	1.0
65.03947	0.1
67.01888	0.2
68.99822	0.1
79.01900	0.2
79.35958	0.1
83.01381	1.2
84.45238	0.1
89.03961	0.1
91.01904	0.4
93.03456	3.0
94.03809	0.1
95.01418	0.5
95.04998	0.1
98.20649	0.2
107.01385	2.0
108.02205	0.6
109.02957	1.0
117.03453	1.2
119.01376	0.2
119.05025	0.2
121.02926	0.3
123.00903	0.4
123.04520	2.6
124.01653	0.1
129.03522	0.1
130.04231	0.3
131.05011	0.5
132.02145	0.1
133.02950	0.4
135.00897	0.8
135.04460	0.1
136.01637	0.2
137.02443	0.8
141.07108	0.2
143.05023	1.7
145.02945	1.1
145.06546	0.2
147.00856	0.2
147.04547	0.2
151.00363	1.8
153.01898	0.1
154.04236	0.9
155.05037	0.7
156.05739	0.4
157.02965	0.5
157.06580	1.0
158.03728	0.4
159.04515	1.6
161.02449	0.7
161.06001	0.2
163.00398	0.9
164.01129	0.6
165.01918	0.5
167.05031	0.7
168.05745	0.3
169.01454	0.4
169.02724	0.1
169.06604	1.3
170.03705	0.1
171.04497	1.3
172.05052	0.1
173.02426	0.8
173.06090	0.3
174.03143	0.2
175.03969	0.1
182.03676	0.2
183.04517	0.5
184.05266	0.5
185.06065	2.3
186.06432	0.1
187.04002	2.1
188.04433	0.1
189.05545	0.3
190.99847	0.1
191.03366	0.1
192.00674	0.2
195.04453	0.5
196.00220	0.1
196.05278	0.2
197.06068	0.3
198.03201	0.3
199.03976	0.4
201.05582	0.6
211.03960	1.4
211.13293	0.6
212.04604	0.3
213.01961	0.2
213.05495	0.9
214.02698	0.8
214.05904	0.1
215.03542	0.7
217.05063	0.2
219.02969	0.3
223.03998	0.1
226.02895	0.1
227.03526	0.9
228.04019	0.1
229.05040	2.0
229.07233	0.2
230.05318	0.1
239.03471	1.9
240.04153	0.5
241.05042	0.4
242.05800	0.1
243.00938	0.1
243.03053	0.8
244.03015	0.1
249.88243	0.1
255.03018	0.8
256.03754	0.2
257.04532	1.3
258.04800	0.1
267.02933	0.2
268.03732	0.4
270.05179	0.2
284.03275	0.3
284.26831	0.2
285.04028	100.0
286.04367	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61187	1.9
59.01379	3.1
62.35935	2.2
69.44904	5.4
69.45305	14.7
71.01383	6.8
83.01398	3.1
84.21312	2.5
85.02937	4.8
95.05023	6.6
108.93764	4.6
113.02455	3.0
123.04525	100.0
125.02442	2.6
126.90352	4.2
135.04524	4.1
136.93221	4.5
137.02388	3.8
137.06058	2.7
142.87587	7.8
165.05569	3.7
172.95457	2.7
179.03452	2.4
200.17804	3.1
207.02960	15.1
207.95697	2.7
216.92149	2.7
248.94858	4.2
284.26736	3.8
285.03885	2.8
285.06934	2.8
285.09949	3.0
285.26706	3.2
286.06070	9.9
286.18860	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	285.0769
Annotation	Heraclenin
Peak:m/z	Relative Intensity
65.00269	0.7
71.77348	0.5
72.99249	1.1
77.50026	0.5
78.95901	5.5
83.01345	1.0
93.03387	2.2
95.04994	1.1
98.20821	0.5
107.01300	1.0
109.02930	0.8
117.03423	0.7
121.02878	0.8
123.04527	22.9
133.02847	0.7
143.04910	0.7
151.00302	1.2
163.00317	0.7
167.04938	0.6
169.06555	1.1
171.04367	0.7
182.03781	3.3
183.04349	0.8
184.89427	0.6
185.05783	0.9
187.03949	1.1
195.04472	0.9
210.03206	56.2
211.03906	9.5
212.04630	0.8
213.01707	0.6
213.05609	0.7
225.05505	1.4
227.03474	2.4
229.04984	1.3
235.06323	0.6
238.02708	16.8
239.03415	4.0
240.04300	5.3
241.04822	0.7
253.05051	100.0
254.05505	9.5
255.02946	2.7
255.06680	5.2
270.05365	2.4
270.09061	1.1
284.26807	1.6
285.04074	52.9
285.07559	6.4
285.13354	1.3
285.20682	6.5
285.27106	1.5
286.04373	3.4
286.07510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.098
Annotation	Homoarbutin
Peak:m/z	Relative Intensity
54.38954	0.5
55.01896	0.6
57.03444	0.7
57.07242	0.5
58.39198	0.5
59.01371	2.0
71.01398	1.3
71.55696	0.7
72.99306	6.9
73.02955	1.5
73.83919	0.6
83.01418	0.6
85.02967	0.9
92.05029	0.7
95.05021	1.3
99.00891	1.0
104.37978	0.5
107.05055	1.1
113.02481	0.7
114.05598	1.3
115.05968	0.8
116.07178	0.8
118.00961	0.5
119.05065	0.7
121.02955	3.9
123.00883	0.6
123.04527	17.8
124.04868	0.6
124.33105	0.5
135.04526	1.8
137.02444	9.9
144.11496	0.5
150.03255	1.2
151.04079	3.3
152.04805	4.5
153.05556	2.5
154.02762	0.5
156.01317	1.3
161.02501	3.0
163.04016	7.1
164.01134	1.4
165.01903	1.4
165.05565	5.4
166.06297	0.8
167.03496	1.3
176.04770	1.7
177.01895	1.0
177.05429	0.9
178.02618	0.8
178.06325	3.3
179.03505	45.6
179.10783	0.9
180.03838	2.2
184.03723	2.3
186.64659	0.5
191.03522	5.3
192.04271	1.2
193.05063	17.0
194.05840	28.8
195.06236	1.2
204.04333	0.9
205.05008	5.3
206.05774	2.1
207.02928	0.9
207.06638	1.6
209.08189	55.5
210.08563	2.6
221.08163	1.9
237.07668	3.2
267.09048	0.7
270.07547	0.8
284.26599	1.5
285.04239	4.3
285.09811	100.0
286.10159	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	285.0981
Annotation	Salicin
Peak:m/z	Relative Intensity
50.79117	0.1
57.03456	0.3
59.01374	0.6
69.03465	0.2
71.01379	3.3
71.55250	0.2
72.99317	0.3
73.02955	0.9
74.77717	0.1
77.03970	0.9
78.95908	0.2
81.03455	0.2
83.01383	0.5
85.02953	1.3
86.71831	0.1
87.00851	0.2
88.04064	0.3
89.02441	0.2
93.03458	0.8
94.76247	0.1
95.01374	0.3
95.05026	5.2
96.05391	0.2
96.95984	0.1
97.02971	0.1
99.00908	0.5
101.02444	1.4
105.03437	1.4
108.02191	0.2
109.02937	0.2
111.00883	0.6
113.02451	1.3
113.07195	0.2
115.00365	0.5
121.02960	0.9
123.04526	100.0
124.03987	0.3
124.04855	2.9
125.02500	0.2
125.97360	0.1
127.00391	0.2
127.05177	0.1
129.01944	0.3
129.90018	0.1
135.00879	0.2
138.46005	0.1
139.04033	0.2
143.03539	0.4
149.02440	1.1
151.04012	0.2
152.91728	0.3
153.09186	0.1
159.03029	0.3
161.04582	1.4
163.00412	0.3
165.05673	0.1
176.35617	0.1
180.00706	0.2
181.11783	0.2
187.02516	0.2
193.08699	0.2
195.03020	0.4
199.12865	0.2
284.26871	0.4
285.03885	0.4
285.06635	0.3
285.09918	0.4
285.12772	0.3
285.26996	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0982
Annotation	4-Hydroxybenzyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00589	3.5
59.01379	100.0
69.28986	9.2
69.29410	4.9
71.01380	50.4
71.40833	1.3
72.99299	4.6
73.02958	2.3
83.36927	1.7
85.02956	9.4
87.00833	2.9
89.02445	75.5
93.03459	1.6
95.01391	3.1
101.02458	19.2
102.54914	1.6
103.36954	1.5
113.02456	20.8
119.03506	27.8
123.04536	19.3
131.03535	3.1
137.02440	1.8
143.03505	4.9
149.02486	1.5
149.04530	1.5
161.04594	3.5
164.01097	1.6
179.03537	7.9
179.05588	13.0
194.05806	3.6
209.08186	7.3
211.64363	1.7
225.15984	5.7
284.26788	2.8
285.03983	3.3
285.09875	20.4
289.62735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1821
Annotation	N-Acetyl-leucyl-leucine
Peak:m/z	Relative Intensity
58.02711	0.6
58.02977	7.9
59.01372	0.7
74.50921	0.5
84.08273	0.5
97.06599	1.1
114.09205	0.9
117.77999	0.5
121.20208	0.5
123.04517	7.0
126.09235	2.1
128.10805	1.0
129.10336	1.6
130.08739	100.0
131.09100	3.0
133.20053	0.5
141.10304	1.0
143.05081	0.6
143.11911	0.8
154.08745	14.0
155.09192	0.5
182.15508	1.9
184.12119	0.9
188.71159	0.5
199.04047	0.8
199.18150	85.6
200.18489	4.4
227.03372	0.8
228.04048	1.3
229.04958	1.1
239.03455	1.4
241.19200	9.4
242.19437	1.1
243.17120	4.9
255.02992	1.1
256.03613	2.3
271.06122	4.2
285.04120	12.9
285.07809	2.1
285.18201	97.7
286.04318	1.4
286.08322	1.2
286.18515	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	285.2072
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
59.01358	0.7
70.71164	0.9
70.71512	0.5
70.80654	0.4
71.01378	0.8
71.22899	0.4
78.95901	2.0
79.52403	0.4
85.02945	0.5
92.58927	0.4
93.03458	1.1
95.05028	0.9
97.06580	1.1
99.00889	0.9
99.08138	0.5
101.02436	0.5
113.09732	0.5
121.02966	0.6
123.04525	16.6
123.08174	0.5
125.09726	2.7
127.11240	0.9
139.11298	0.5
141.12854	1.3
151.00398	0.5
155.14398	0.6
161.57283	0.4
171.04553	0.5
171.10281	2.5
185.06053	0.8
185.62152	0.4
187.03978	0.6
211.20667	0.5
229.09842	0.5
239.03607	0.6
239.20122	0.8
265.17950	0.8
267.19687	4.3
268.19647	0.6
270.05359	0.8
283.19165	0.9
285.04065	25.8
285.07462	1.1
285.20703	100.0
286.04337	2.9
286.21014	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.18338	0.5
59.01362	0.9
60.13479	0.5
64.71690	0.4
66.62289	0.4
70.02968	0.8
72.36104	0.4
74.06125	2.0
78.95892	2.3
83.05010	0.5
99.80768	0.4
100.40538	0.4
104.61603	0.4
117.07089	0.5
118.05116	1.0
123.04499	1.2
124.04881	1.3
124.52347	0.5
125.02441	0.4
129.40468	0.4
140.69579	0.4
232.26628	0.4
235.95221	0.4
240.23299	3.3
242.21185	1.2
268.22910	0.8
284.22409	0.5
286.04440	2.8
286.23865	100.0
287.21713	0.5
287.24319	7.7
299.52103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79930	0.9
59.01367	1.7
59.71136	0.9
62.21703	0.9
69.73865	2.2
69.74271	3.0
74.65958	0.8
80.96492	1.2
93.03453	0.9
101.48032	0.8
102.81689	0.9
125.02431	2.3
161.02425	0.9
171.04529	4.3
172.05313	4.6
173.06024	1.5
175.04048	1.4
183.04538	1.9
187.04045	1.8
190.06360	0.9
199.04005	43.3
199.07643	4.1
200.04779	49.3
201.05148	2.7
215.07126	57.0
216.07431	2.9
227.03546	5.5
228.04277	43.0
229.04587	3.2
232.03789	1.6
242.54132	1.0
243.06612	100.0
244.06802	5.5
287.02332	3.6
287.05600	73.6
287.14365	1.7
288.05997	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	287.0562
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
54.56805	0.4
56.38152	0.5
57.42807	0.4
62.51329	0.5
63.02396	2.6
65.00328	12.6
74.37840	0.5
75.04211	0.5
83.01384	5.5
94.21566	0.5
98.19814	0.9
107.01392	17.8
109.02955	2.5
111.00876	0.7
125.02422	4.2
134.03749	2.3
135.04527	100.0
136.04849	3.0
151.00365	85.6
152.00729	2.3
154.99861	0.6
165.01871	0.5
169.01436	1.5
177.01958	0.8
222.03743	0.6
223.13339	0.7
225.15135	0.7
239.07115	0.7
241.14424	1.7
269.04373	0.8
272.06894	1.5
287.05536	12.8
287.09067	2.3
287.14996	5.9
287.18411	0.8
288.05945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89032	0.6
53.50776	0.5
57.03448	17.3
63.02397	4.8
65.00323	9.7
65.00635	1.0
81.03474	3.9
83.01388	10.7
93.03475	3.6
95.01432	0.6
98.20764	1.4
107.01408	6.1
107.05030	1.3
108.02205	0.8
108.21582	0.5
108.88193	0.6
109.02964	2.8
111.00903	1.2
117.03465	0.6
119.05056	0.8
121.02972	1.6
123.04535	1.8
123.80250	0.6
124.01679	3.1
125.02448	100.0
126.02785	1.8
131.05017	1.9
133.02986	3.3
134.03732	1.8
135.04472	1.2
137.02406	1.1
143.05052	0.9
145.02934	0.7
149.06026	0.9
151.00359	13.5
152.01160	10.0
153.01932	2.3
156.05717	0.9
157.06592	1.8
158.03728	0.9
159.04514	2.0
169.01384	0.6
171.04485	1.3
172.05319	1.3
173.06090	5.6
175.04079	1.3
176.01157	0.9
177.05565	17.1
177.29330	0.6
178.99889	6.7
181.06555	0.6
183.04553	0.8
185.11760	1.0
186.97115	0.5
195.10185	0.7
197.06142	0.9
199.03972	2.4
199.07628	2.9
200.04665	1.2
201.05553	9.3
203.03499	1.9
211.04019	0.9
213.01930	1.8
213.05606	1.4
215.07095	5.6
219.06561	2.0
225.05431	0.9
227.03566	2.3
241.05054	1.3
243.06633	18.0
244.07065	0.9
257.04492	1.3
259.06110	78.1
260.06451	5.1
269.04568	3.9
272.06830	1.6
287.05618	57.1
287.14777	1.5
288.06155	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	287.0773
Annotation	Dianthoside
Peak:m/z	Relative Intensity
55.01865	5.6
57.03447	3.6
59.01365	10.7
61.98830	1.6
66.52728	1.8
69.03464	9.1
71.01383	63.1
71.55828	2.2
72.01739	1.6
72.99298	2.7
73.02942	16.8
74.02453	3.4
75.00885	1.9
83.01376	13.0
85.02955	30.2
87.00865	4.9
88.04042	11.1
89.02437	2.1
93.03446	2.6
95.01373	7.2
97.02953	25.0
99.00896	8.9
101.02443	27.8
109.02940	1.6
110.55834	1.4
111.00862	2.6
112.98756	1.7
113.02444	27.3
115.00379	2.7
123.00881	2.2
123.04507	3.3
125.02450	100.0
126.02780	2.5
126.05599	2.0
129.01889	3.0
130.99840	5.0
143.03441	2.4
146.29361	1.5
154.99881	17.4
156.13196	1.5
157.13425	2.5
159.02953	5.0
159.16278	1.4
161.04556	16.6
167.03426	2.4
169.09880	3.4
173.00880	1.7
199.10838	3.6
205.03505	1.5
266.19662	2.0
287.07706	6.2
287.11111	3.2
288.15610	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	287.0926
Annotation	Asperflavin
Peak:m/z	Relative Intensity
55.90710	0.3
69.34699	3.3
124.93218	0.5
125.02423	0.4
144.13211	0.4
152.13983	0.4
183.04482	0.5
184.33769	0.3
187.04124	0.5
211.04047	1.3
212.90242	0.4
213.05704	0.7
227.03455	0.5
228.04387	0.5
229.05049	80.7
230.05374	5.1
239.03543	0.6
256.03745	1.0
257.04547	55.6
258.04895	4.0
271.06100	1.4
272.06891	100.0
273.07254	7.5
278.31998	0.4
287.04681	3.5
287.09253	51.7
288.09579	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	287.1504
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.03451	1.4
59.01379	100.0
60.01713	0.9
92.10040	0.7
97.06606	1.1
99.04524	2.3
111.00886	0.8
128.09106	0.7
163.04140	0.8
165.12848	1.9
167.10767	0.8
207.13908	4.2
209.11832	7.5
225.14952	6.5
227.12886	55.2
228.13190	2.2
251.12904	2.3
269.13916	15.8
270.14297	1.2
272.06836	0.8
287.14999	77.9
288.15363	5.4
294.93323	0.8
295.59683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2227
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
57.03428	0.4
78.95889	0.3
83.05035	0.4
95.01408	0.3
97.06611	0.5
99.08170	1.6
102.33011	0.2
109.06680	0.2
113.09719	0.5
123.04526	0.9
123.08132	0.5
125.02434	0.3
125.09701	0.3
127.11266	0.5
129.09221	0.7
139.11292	0.3
141.12860	1.6
155.14404	0.6
157.12259	0.2
173.42430	0.2
211.20735	0.2
228.03981	0.4
229.04662	1.1
239.20168	0.5
240.03857	1.3
241.21770	1.3
243.06410	0.3
251.20074	0.2
256.03403	1.4
257.04114	1.9
267.19553	0.2
269.21164	3.0
271.06006	0.5
272.06433	6.8
272.09348	0.3
273.06702	0.3
285.20728	1.6
287.08847	1.9
287.22272	100.0
288.09146	0.3
288.22623	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	288.0765
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
56.98779	0.4
59.01381	8.1
59.01677	0.4
70.38484	1.3
71.01373	0.6
74.02478	3.6
76.63512	0.4
82.06632	0.5
86.80269	0.4
87.00868	0.4
87.05635	0.7
88.04063	2.2
88.04523	0.5
90.97143	1.6
115.00310	0.5
118.96724	0.4
125.02424	1.6
126.02789	1.5
129.10347	0.7
130.08739	100.0
131.09068	2.5
132.98190	1.2
139.08746	0.5
141.98247	0.7
160.97705	1.1
162.95583	0.5
169.09821	0.7
174.99243	0.8
175.02425	0.7
184.94693	0.4
187.98756	1.1
200.13998	0.6
228.07298	0.4
236.67131	0.4
244.04976	4.0
244.12971	3.7
246.06534	2.9
288.07660	57.4
288.15338	1.9
289.08038	2.5
290.05402	0.5
290.63538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.17181	0.4
53.82508	0.3
58.02966	0.5
59.01375	0.6
65.03962	0.4
65.15321	0.3
70.05618	0.8
70.06010	0.7
81.03477	2.0
83.01382	0.4
92.05059	1.4
93.03479	2.2
107.03803	0.5
108.02139	0.6
108.04557	5.7
109.02949	7.1
124.01585	0.4
134.02483	34.5
135.03293	10.0
136.04045	43.2
137.02432	1.6
137.04323	0.9
147.04512	0.4
148.04024	1.0
149.04802	1.4
154.99857	0.4
170.99655	0.4
176.03540	4.2
177.04332	0.5
181.03870	0.4
190.05135	0.5
201.09190	0.4
288.16046	100.0
289.16342	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01380	0.7
69.29458	0.3
71.01377	0.4
73.02946	59.0
74.03300	0.7
79.95753	0.5
80.63824	0.4
178.03134	0.4
201.79733	0.3
208.11198	0.4
209.04456	0.6
291.19666	100.0
292.19998	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09129	0.5
55.01875	0.8
57.03441	1.4
59.01368	3.6
61.98822	0.6
69.03425	0.6
69.35258	3.5
69.35681	1.2
71.01385	0.9
71.05020	37.4
72.05360	0.7
78.98636	0.5
83.05014	0.9
89.26166	0.5
97.06590	9.9
98.19957	1.2
111.08208	0.6
120.57290	0.5
121.02981	0.7
122.57758	0.5
123.08195	1.0
133.06612	0.6
159.02548	0.5
163.11319	0.6
163.14915	1.1
167.10652	0.7
170.99374	0.5
172.41475	0.5
181.12299	1.6
195.13974	0.8
207.13875	3.1
217.15947	0.9
219.13826	3.9
219.17551	0.8
231.12231	1.1
235.17026	4.9
247.20648	2.8
261.43695	0.5
264.87027	0.5
273.18652	1.6
291.19650	100.0
292.19974	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	12-OPDA
Peak:m/z	Relative Intensity
59.01372	0.6
63.39354	0.3
63.88591	0.3
70.30760	0.9
70.31116	0.5
71.01364	0.4
80.96508	1.0
95.05028	0.5
97.06593	0.5
102.95313	0.3
106.04263	0.3
109.06610	0.3
111.08136	0.5
119.05006	0.4
121.02936	0.4
125.06082	0.5
127.11246	0.3
141.09192	0.4
148.08963	1.7
150.10497	1.2
151.11275	0.6
156.61708	0.3
163.11282	1.1
165.12843	21.0
166.13246	0.8
176.12076	0.6
177.12700	0.3
191.14407	0.6
217.15958	0.5
247.20689	10.9
248.20906	0.6
273.18591	6.8
274.19061	0.8
291.19653	100.0
292.20013	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13033	0.3
57.03446	2.5
59.01387	3.0
69.03465	0.7
71.05022	0.8
72.51704	0.3
83.05024	0.8
89.05004	0.3
93.03462	0.5
94.18342	0.3
95.05020	1.1
109.06590	1.0
111.08157	13.7
113.09733	0.6
135.11827	0.6
137.09703	1.0
149.09758	0.6
165.12762	0.4
167.10796	2.1
177.12843	2.1
179.10825	2.4
181.12354	0.4
195.13884	8.2
196.14279	0.4
203.14322	0.5
226.79465	0.3
231.12299	0.4
247.20708	2.8
248.21068	0.4
273.18546	1.9
286.53741	0.3
287.41708	0.4
291.19647	100.0
292.19958	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83895	0.3
57.03445	2.4
59.01381	1.5
70.60476	0.6
70.60810	0.9
71.01380	0.4
71.05019	0.8
80.89023	0.4
83.05023	1.1
84.71877	0.4
85.27936	0.4
86.98225	0.4
93.07050	0.5
97.06567	1.5
110.70616	0.5
111.08156	4.1
116.84748	0.4
121.03019	0.9
121.10243	8.7
123.08179	0.8
125.09736	5.4
135.11809	0.6
147.08124	0.8
153.12840	0.5
165.12851	0.6
167.10786	0.9
171.10281	1.4
177.12930	0.9
179.10762	0.5
185.11815	9.0
186.12308	0.5
189.57008	0.4
195.13918	2.4
197.11824	2.4
209.11856	1.3
211.13339	1.3
223.13396	0.5
231.17528	0.4
247.13422	0.6
247.20656	1.9
260.66931	0.4
263.20178	1.1
273.18610	2.0
291.19656	100.0
292.20013	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	291.1966
Annotation	12-OPDA
Peak:m/z	Relative Intensity
54.68861	1.2
56.91853	1.4
57.01345	1.3
61.98831	1.7
64.23649	1.1
66.62039	1.2
66.91488	1.3
69.25484	12.2
71.01377	1.3
71.05021	40.6
72.05374	1.6
73.02929	1.3
79.95729	2.5
83.05038	1.5
85.02967	1.4
85.71687	1.3
97.02916	1.7
97.06599	1.3
109.82620	1.4
115.04020	3.3
119.59601	1.2
121.02988	2.2
127.04001	1.6
133.52692	1.4
142.02654	1.2
150.34438	1.2
163.14960	2.2
209.04514	2.4
247.20659	5.6
273.18649	7.0
291.09067	4.4
291.19669	100.0
292.19952	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	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55926	0.8
55.01859	0.9
59.01381	4.6
60.71794	0.7
64.16666	0.8
69.39977	7.2
71.01379	2.2
82.02983	7.6
83.01385	1.2
84.04546	1.3
85.02940	3.1
89.02422	1.2
93.03457	1.7
98.02483	2.9
98.20643	2.0
100.04025	2.3
101.02433	1.6
102.05608	33.1
107.05038	1.7
111.03241	1.1
113.02505	1.0
117.03468	5.2
118.06543	0.9
119.05027	100.0
120.05324	2.7
127.00352	1.4
128.03540	42.1
130.08711	2.1
131.07132	2.7
138.42105	1.0
145.02950	36.3
146.04594	85.7
147.04491	5.6
162.05649	1.5
163.04005	17.9
164.07176	5.6
165.19139	0.9
172.02521	2.5
184.07643	2.7
186.09236	1.8
202.08693	8.6
203.09059	1.0
204.10237	2.3
230.08157	4.3
246.07671	9.3
248.09190	4.0
268.04984	0.8
274.07199	14.2
292.05011	1.8
292.08273	31.9
293.08917	1.0
293.12283	3.0
293.15103	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	292.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18623	0.5
57.43642	0.6
59.01377	2.7
63.10716	0.5
66.12030	0.5
68.84769	0.5
69.75737	1.2
69.76154	1.7
71.01371	0.7
79.95744	0.5
82.02977	1.6
85.02972	0.8
93.03477	1.5
96.04565	0.8
98.20615	1.1
102.05612	12.8
102.06255	1.0
117.03485	3.2
119.05030	100.0
120.05368	3.9
128.03543	23.7
134.85947	0.5
145.02954	26.7
146.04596	51.3
147.04646	2.4
161.05978	0.7
162.05618	1.9
163.04027	15.2
164.04283	0.5
164.07242	0.6
168.28104	0.5
172.02544	1.9
174.05583	0.9
188.07175	1.0
202.08757	6.7
204.10269	1.8
212.07124	1.0
230.08203	1.8
248.09323	3.7
250.66530	0.6
274.07227	8.7
292.08264	23.0
293.08737	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
69.18864	4.4
69.19294	3.8
69.19511	0.7
71.01389	0.9
75.63183	0.7
79.13523	0.7
79.62336	0.7
82.02978	0.9
85.02958	1.6
93.03462	1.0
97.83695	0.8
101.02406	0.8
102.05608	33.0
117.03485	4.2
119.05025	100.0
120.05354	3.6
128.03540	41.8
138.56627	0.7
145.02948	34.2
146.04591	90.6
147.04633	1.8
162.05649	1.1
163.03996	15.7
164.04385	1.0
172.02527	3.3
174.05528	1.1
188.07129	1.2
200.28740	1.0
202.08722	7.5
204.10356	2.5
210.82996	0.9
230.08229	2.8
248.09387	4.4
274.07187	10.0
292.08286	26.7
293.08530	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75083	1.3
55.01871	2.2
59.01369	1.9
60.35912	1.5
67.01894	2.6
70.02966	2.1
71.01390	1.3
71.56445	1.8
72.00900	7.8
72.04539	4.3
72.99297	1.6
74.57513	1.3
77.67957	1.3
80.22515	1.6
82.02979	82.1
83.01376	10.6
83.03325	1.8
84.04547	9.6
85.02938	2.6
91.05536	3.0
93.03474	2.7
94.02979	6.1
98.02477	25.6
99.00874	4.5
100.04037	13.2
110.02449	1.6
111.03275	20.0
118.06629	6.9
119.05002	2.3
126.01957	3.7
127.00400	9.8
131.05008	2.4
137.02435	3.3
144.08212	2.7
147.03340	2.5
147.04520	39.2
164.07164	52.4
173.63683	1.3
184.07646	23.7
186.09248	12.0
202.08742	21.9
203.09145	1.9
208.23203	1.3
216.56398	1.2
230.08192	19.3
231.08717	2.3
246.07689	100.0
247.08008	8.8
248.09232	2.4
274.04254	2.6
274.07196	38.1
275.07431	2.6
292.08273	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	292.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
61.64361	0.8
65.25311	0.6
66.03474	0.7
67.82497	0.6
70.10983	3.0
71.01373	1.9
99.65674	0.6
141.49629	0.8
156.13939	100.0
157.14218	3.4
177.09250	1.2
192.11589	0.9
200.12909	3.8
205.12383	1.4
220.14674	7.0
221.15468	12.6
236.10529	10.6
292.20038	5.0
293.18024	1.5
293.21313	1.3
314.09012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.192
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
56.31960	0.6
59.01374	2.6
59.40404	0.5
60.59480	0.6
66.31664	0.6
70.67169	0.6
70.72675	1.4
71.05012	0.7
87.66698	0.7
97.62420	0.6
136.09012	0.8
156.13934	100.0
157.14297	3.3
169.14191	0.7
185.11765	1.0
192.11685	0.8
199.50261	0.7
200.12888	5.8
220.14650	5.1
221.15469	8.5
236.10504	6.6
292.09091	0.7
292.20010	6.5
293.17758	1.8
293.21188	15.9
309.59286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03451	8.8
58.00596	2.5
59.01379	52.2
59.91270	0.6
69.44455	5.4
71.01382	25.5
72.99326	3.7
73.02951	3.3
73.04070	0.8
82.02992	0.8
83.01389	4.3
84.02168	1.7
85.02953	86.1
85.06593	18.4
85.83974	0.6
86.03281	1.3
87.00886	2.5
89.02447	27.7
89.03009	1.4
95.01388	2.2
99.00880	1.5
101.02449	18.8
102.05618	2.1
107.05036	7.1
113.02452	11.7
113.06076	5.4
115.07655	1.9
117.03481	5.5
117.86023	0.8
119.03515	11.4
119.05001	6.5
120.05376	4.7
126.05376	0.6
127.07622	2.2
128.03540	3.1
129.03915	0.9
129.64304	0.8
130.08745	18.0
131.03468	1.5
131.07141	73.6
132.07497	2.1
134.06114	0.9
135.04514	0.9
141.10355	4.0
143.03522	1.2
143.11899	1.0
145.02956	18.6
146.03369	2.5
146.04597	4.8
147.03003	42.0
147.04893	3.0
148.03329	0.8
148.04990	1.0
161.04546	2.8
163.03983	1.2
164.04439	1.3
173.08194	1.7
179.05618	1.4
185.08284	0.8
187.10918	3.5
232.13390	1.2
247.08107	0.9
249.16034	0.8
275.07599	1.0
275.10434	0.9
279.57910	0.8
293.06961	3.0
293.12402	100.0
293.15189	30.6
294.12750	4.9
294.15472	2.2
309.10312	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1758
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
59.01378	1.6
69.27588	4.2
69.28010	3.2
71.01387	7.5
76.08245	0.9
79.65825	1.0
114.85871	0.9
132.34035	0.8
137.26520	1.0
148.05293	1.0
151.98900	1.1
153.35367	0.9
164.08388	1.5
177.09206	6.3
192.11574	4.9
205.12349	6.9
207.13867	1.0
212.05582	1.0
218.09393	1.4
220.14685	45.4
221.15460	100.0
222.15804	5.5
235.13429	1.4
236.10527	69.2
237.10849	4.2
244.78394	0.8
293.17725	5.6
293.20602	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Dendocarbin K
Peak:m/z	Relative Intensity
55.01873	0.4
55.59851	0.3
56.61587	0.4
59.01390	1.0
71.01395	0.7
71.03112	0.7
78.95934	0.4
80.30566	0.3
83.22711	0.4
83.64309	0.4
99.00882	3.6
136.08939	51.8
137.09378	1.7
177.09204	4.2
192.11559	34.8
193.12343	2.4
193.15962	100.0
194.16310	5.7
207.14035	0.4
216.69914	0.4
220.14647	2.5
221.15456	4.7
236.10547	3.7
249.18585	32.6
250.18924	2.4
275.16724	0.5
275.20328	0.4
293.17606	33.0
293.21057	2.9
294.18005	2.6
294.21072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.5
59.01376	2.8
71.18567	2.5
72.81117	1.4
103.01588	1.3
109.15601	1.3
121.10237	46.1
122.10585	2.2
122.72944	1.4
127.11298	2.0
155.10759	1.9
156.07957	1.4
163.37247	1.4
164.75772	1.5
171.10271	83.4
172.10602	1.8
177.16460	2.7
183.10324	9.0
183.13870	8.2
185.11813	2.6
188.09877	1.5
211.13361	1.7
216.29535	1.5
231.21143	5.5
235.17142	2.5
275.20148	100.0
276.20468	10.7
293.21228	86.6
294.21634	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14583	0.7
59.01361	2.2
67.92469	0.7
69.37895	4.6
69.38316	1.4
74.19852	0.7
76.44538	0.8
112.39874	0.7
118.72382	0.7
139.53860	0.9
179.14424	0.9
183.25728	0.8
195.13901	17.9
196.14595	1.9
205.12288	1.5
205.15961	1.1
210.51935	0.9
211.13293	1.2
223.13371	14.0
224.13808	1.4
228.13655	1.9
256.13071	6.0
275.20178	11.9
293.21219	100.0
294.21597	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
57.03451	6.0
58.30966	0.7
59.01375	3.4
70.86552	1.3
70.86886	0.8
71.01375	0.8
74.00814	0.6
78.31725	0.7
89.99886	0.7
94.45625	0.6
97.06563	0.9
113.09731	18.8
119.58454	0.8
121.10230	3.7
139.11276	1.8
163.53935	0.6
167.10757	2.4
171.10260	5.5
177.12872	0.9
179.10727	2.1
195.13870	2.9
201.24136	0.6
221.15417	1.5
231.21223	0.8
235.16937	3.6
236.10649	1.4
249.22334	1.6
266.15475	0.6
275.20178	11.7
276.20444	1.1
293.21225	100.0
294.21536	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.9
58.12691	0.5
59.01362	1.8
69.03445	0.6
71.09625	1.2
75.08947	0.5
96.96037	0.6
97.06558	0.5
123.08172	0.9
125.09740	4.4
141.12785	1.1
149.09737	1.7
153.02083	0.5
183.13896	2.2
185.11827	8.7
195.13855	1.6
197.11806	2.5
209.64981	0.5
211.13414	0.9
220.14662	1.3
221.15503	1.5
223.13406	0.7
236.10469	1.0
249.22209	1.4
275.20209	2.3
293.21216	100.0
294.21548	8.7
310.88547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18203	1.1
56.16648	1.0
57.03430	2.7
59.01375	3.9
63.09820	1.2
71.05031	4.5
87.04519	1.2
90.64658	1.2
96.96011	1.6
98.20645	4.0
113.09719	1.6
128.65424	1.2
136.08919	1.5
162.66090	1.3
172.29451	1.1
192.11488	1.5
193.15994	2.5
209.15480	1.4
220.14743	2.9
221.15498	8.6
223.17102	5.6
231.21129	2.2
235.17049	33.5
236.10524	3.1
236.17284	2.4
236.36345	1.2
275.20166	40.2
276.20578	3.9
293.08862	11.5
293.18121	3.3
293.21222	100.0
294.09402	1.7
294.21552	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	293.2122
Annotation	8-[(1R,2R)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate
Peak:m/z	Relative Intensity
51.21658	0.8
52.48818	0.7
55.69043	0.7
56.71021	0.7
57.03438	1.3
59.01368	1.3
61.21013	0.8
61.98824	1.5
69.99379	0.6
70.96315	1.4
70.96663	0.9
71.01385	2.5
71.05021	41.0
83.05048	1.6
96.96013	20.0
97.02940	1.3
115.04002	2.4
124.84936	0.7
126.04292	0.7
136.08923	4.4
142.02730	0.9
171.59726	0.8
172.28883	0.7
177.09189	1.2
192.11571	3.2
193.15961	6.9
220.14651	8.0
221.15454	15.6
222.15715	0.8
236.10513	12.0
237.10844	1.4
249.18610	4.1
249.22151	3.5
271.38611	0.7
275.20145	8.0
276.20258	1.2
293.17850	20.7
293.21225	100.0
294.18280	0.8
294.21524	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	293.2487
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01366	0.6
61.98818	0.6
68.60316	0.3
71.01390	0.6
71.47205	0.4
71.47551	0.4
96.96012	16.0
97.99091	0.3
136.08904	0.7
149.09325	0.3
167.12047	0.4
177.18805	0.4
192.11490	1.2
193.11761	0.4
193.16006	2.1
220.14693	3.1
221.15454	5.9
233.57597	0.4
236.10515	4.2
249.18535	0.5
293.17981	13.4
293.24847	100.0
294.18134	1.0
294.25192	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77859	0.3
59.01380	6.3
59.09428	0.4
70.87330	0.6
70.87644	0.7
71.01375	2.1
71.05024	0.4
72.50395	0.4
72.99295	0.7
81.03468	5.0
83.01377	1.5
83.05032	1.1
85.02958	2.0
89.02445	0.5
93.03465	3.4
95.05040	2.6
96.96000	0.6
97.02947	2.2
99.00867	1.1
99.04510	4.8
101.02427	1.3
106.04262	0.5
110.02484	5.1
111.00881	1.1
113.02438	0.9
114.04792	0.4
115.00378	0.9
119.05020	5.0
121.02953	0.5
121.43377	0.4
123.04524	3.1
125.02465	1.9
127.04014	1.4
131.03510	0.9
131.05025	1.8
131.07147	0.5
132.05817	7.0
133.02972	1.8
133.06598	19.1
134.03760	0.6
134.06906	0.8
135.04527	0.6
139.03986	0.9
139.07751	0.4
143.05078	0.4
145.02943	0.5
147.04509	0.7
149.02444	0.5
159.02986	0.6
160.05345	0.7
161.06084	100.0
162.06432	5.2
163.04010	2.6
167.03499	26.1
168.03830	0.8
175.04033	1.3
177.05608	1.1
179.07153	0.5
191.03409	0.4
203.07346	0.4
205.05051	17.9
206.05493	0.9
223.04118	0.5
223.06105	0.6
233.04845	0.5
233.08113	0.4
251.09264	2.4
251.12883	0.5
254.64978	0.4
273.78848	0.4
293.35507	0.4
295.02899	0.3
295.08261	9.2
295.13489	1.7
296.08154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0822
Annotation	Dehypoxanthine futalosine
Peak:m/z	Relative Intensity
55.01882	1.0
57.03446	1.8
59.01378	11.2
65.82716	0.7
68.95448	0.7
69.03440	2.4
70.03340	3.7
71.01389	5.7
83.01430	0.8
85.02931	1.2
93.03453	2.0
95.01370	1.0
96.96059	0.8
101.02436	5.4
113.02448	1.1
115.04077	0.9
119.05025	85.4
120.05350	3.1
131.03502	43.5
132.02173	2.6
132.03804	1.1
132.12976	0.9
133.02943	3.1
134.03745	9.7
137.02417	1.0
145.02942	1.5
147.04492	1.7
148.05247	1.1
149.04543	17.4
149.06038	4.0
160.01643	14.3
161.04758	0.7
161.06088	1.4
163.04002	100.0
164.04352	5.4
175.03989	14.7
176.04778	5.2
177.01993	0.9
178.02701	3.1
191.07118	6.6
193.05046	11.3
205.04988	1.2
207.06577	1.5
207.13878	0.8
208.07246	1.2
217.05020	1.4
220.03773	1.4
223.13292	1.0
233.08250	0.9
235.06111	10.5
251.09315	1.1
271.29138	1.1
295.08237	7.2
295.11667	1.6
303.87912	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
64.11902	0.9
67.92690	1.0
69.38728	3.3
69.39155	3.8
71.01365	3.1
85.02972	1.4
93.62679	0.9
101.02446	2.2
113.02416	1.3
115.00361	1.9
116.80425	0.9
126.69524	1.0
161.04530	1.6
161.06042	2.5
163.04042	2.1
167.03539	1.2
205.05058	3.0
235.11838	3.5
295.08203	2.3
295.22430	1.2
301.11404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.60188	0.3
52.18442	0.3
53.01048	0.3
53.64088	0.3
53.67980	0.3
56.20797	0.3
57.03440	0.9
58.14338	0.3
59.01377	3.2
64.04743	0.3
69.22845	2.5
69.23256	0.7
71.01370	0.6
76.21091	0.3
83.05029	0.7
83.88488	0.3
97.06577	0.5
99.08189	0.3
101.02404	0.4
113.09732	2.5
171.10327	1.6
176.33235	0.3
177.12946	0.5
179.14374	1.2
181.12244	0.6
181.70572	0.3
183.13879	0.8
195.13907	18.1
196.14265	0.9
251.23846	0.4
254.75797	0.4
277.18256	2.0
277.21698	18.6
278.22049	2.1
295.22769	100.0
296.19702	0.5
296.23114	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	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03426	0.7
59.01379	5.0
59.47132	0.8
61.98808	0.7
71.01364	1.0
71.55809	1.0
72.99329	0.6
78.20141	0.7
83.05048	0.7
85.02974	0.9
86.42033	0.6
96.96000	1.2
98.81105	0.6
98.95592	7.4
98.96439	1.8
99.08137	1.0
101.02460	1.0
127.11282	1.1
133.27979	0.6
136.66687	0.7
141.12843	8.0
155.14430	3.3
184.24763	0.7
249.22238	8.8
268.32489	0.9
277.21722	1.4
295.18005	5.4
295.22772	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03447	0.7
59.01375	1.3
71.55583	1.1
72.63969	0.6
75.57954	0.6
89.86555	0.5
101.55984	0.7
113.09731	1.0
137.14246	0.7
155.10851	1.0
171.10280	11.8
179.14418	1.1
183.10242	7.8
195.13902	13.0
212.60823	0.6
218.64363	0.6
248.60175	0.6
277.21725	27.8
278.22046	2.4
295.22778	100.0
296.23187	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10208	0.7
53.51328	0.7
55.14257	0.8
57.03439	2.2
59.01366	2.8
59.98598	0.9
70.12209	2.4
98.20496	1.2
99.08167	0.9
137.09703	1.1
139.76393	0.7
155.14378	3.6
171.10280	27.7
183.10277	1.1
183.13911	1.5
195.13907	8.6
208.88089	0.8
251.23773	1.4
277.21722	40.6
278.22076	3.3
295.22772	100.0
296.23111	8.0
300.86624	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0405
Annotation	Kanzakiflavone 2
Peak:m/z	Relative Intensity
51.30898	0.4
59.01379	3.8
65.00315	3.2
67.01903	0.8
68.99812	1.5
69.38026	1.9
69.38455	1.6
71.01378	1.2
73.98914	0.4
78.94222	0.4
85.02967	0.5
89.00323	1.6
89.02450	1.4
91.01919	0.8
101.02467	1.1
107.01431	0.6
111.00874	0.8
116.32255	0.4
117.02636	0.9
117.03462	15.6
118.03799	0.5
119.03522	0.9
121.02955	0.9
131.01424	2.7
133.02942	0.6
134.03735	1.3
135.00888	2.5
135.04521	2.9
149.02429	4.7
151.00414	1.0
159.04477	0.8
175.00365	7.3
176.98317	4.6
177.01939	8.9
178.99863	22.2
180.00113	1.3
181.06422	0.6
183.04448	1.4
185.02411	1.6
195.04564	0.8
201.05530	1.2
223.04025	0.7
225.05566	2.0
227.03462	1.6
229.04987	0.8
251.03429	1.2
253.01437	0.9
269.04547	5.1
279.19788	0.8
295.02484	15.3
296.02930	1.2
297.04037	100.0
297.11328	1.9
297.20679	1.6
297.24261	2.1
298.04398	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	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72642	1.0
59.01375	5.9
61.80275	1.0
61.98824	1.6
71.01377	3.1
71.56199	1.2
73.02944	1.1
74.99065	5.6
75.16312	1.0
78.13415	1.0
79.95720	1.1
89.02427	2.7
89.04287	6.9
93.00137	1.3
101.02416	1.3
116.76272	1.0
135.04524	1.3
135.06648	1.3
149.00955	46.7
183.01195	32.1
184.01814	2.3
200.18660	0.9
216.00935	1.4
223.02950	4.8
264.98471	22.5
265.98459	1.2
279.23312	1.6
281.01611	6.3
282.99597	3.0
296.22937	1.4
297.04681	100.0
297.15271	59.3
297.24323	57.5
298.04785	9.3
298.15720	2.3
299.02634	9.1
301.00577	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	297.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.2
71.01382	2.1
71.55811	1.4
71.90445	1.3
73.02939	1.0
74.99078	4.3
89.02424	2.0
89.04287	7.9
93.00124	1.9
101.02393	1.7
115.32437	1.0
121.06596	14.2
134.03745	1.8
135.04495	3.0
149.00958	46.1
150.00963	2.5
163.11276	12.9
170.36870	1.1
172.28842	1.1
182.99707	1.9
183.01204	27.9
184.01973	2.1
197.02744	1.2
216.01009	1.9
223.02843	6.8
264.98438	21.5
265.98404	2.6
269.24698	1.5
279.23489	1.1
281.01611	5.3
282.99530	2.1
297.04694	100.0
297.12015	2.5
297.15338	58.8
297.18613	10.9
297.24319	49.5
297.27219	1.2
298.04730	11.2
298.15625	3.5
299.02597	9.6
310.62613	1.1
315.05823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0981
Annotation	Picein
Peak:m/z	Relative Intensity
59.01388	2.3
70.26665	0.7
70.27086	1.1
71.01381	2.1
71.92895	0.3
73.02944	0.5
85.02989	0.8
87.00882	2.4
89.02454	0.8
93.03481	0.5
98.19962	0.5
99.00903	0.4
101.02425	1.0
104.89616	0.3
105.86534	0.4
106.04261	1.1
107.05030	6.6
108.02171	0.5
109.01697	0.4
109.02966	0.8
110.54085	0.4
110.96477	0.4
113.02445	0.8
117.03483	0.6
119.03522	0.5
119.04995	0.5
121.02940	1.0
123.04541	0.4
128.34912	0.3
129.66750	0.3
133.02994	0.6
133.06602	2.1
134.03746	42.1
135.04530	100.0
136.04861	3.7
147.04448	0.4
149.06078	0.7
159.02995	0.4
160.05334	0.5
161.04552	0.5
175.07652	1.7
189.94571	0.6
203.02362	0.3
207.06476	0.4
296.91373	0.8
297.09857	0.5
297.24335	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
61.98811	0.3
63.79201	0.2
70.01548	0.2
71.01399	0.4
79.95699	1.2
89.02395	0.4
99.50961	0.2
101.02428	0.3
113.02474	0.3
119.03514	0.3
134.03725	0.4
135.04536	1.2
135.39084	0.2
170.00414	0.6
183.01204	20.9
184.01927	1.9
197.02769	26.7
198.03519	5.0
199.03886	0.3
211.04315	0.6
216.00963	1.1
230.02541	6.5
237.09879	0.3
253.08934	0.3
297.15283	100.0
297.24127	2.1
298.15604	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	297.2436
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
57.03428	0.7
59.01368	1.4
60.81408	0.3
61.98811	0.3
62.00082	0.3
69.23420	2.5
69.23824	0.5
71.01385	0.4
89.02439	0.4
98.20647	0.7
108.24352	0.3
125.09690	0.6
135.04535	0.6
141.12817	0.8
149.00926	0.4
155.10739	1.1
169.15991	0.4
171.10249	2.1
183.01201	5.2
184.01736	0.4
192.27945	0.3
251.23727	0.5
253.25450	2.0
279.23273	3.4
297.04578	0.9
297.15335	11.4
297.24341	100.0
298.15756	0.8
298.24689	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	297.2435
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01374	1.8
71.45390	0.9
80.87985	0.4
97.52554	0.5
99.10033	0.5
99.25237	0.5
105.54819	0.5
106.55600	0.5
127.11326	0.5
134.03702	0.7
141.12857	1.8
155.10779	14.2
156.11143	0.7
171.10292	1.0
183.01192	5.8
184.01738	0.7
189.24693	0.5
258.74335	0.6
279.23260	13.5
280.23560	1.1
295.22659	0.8
297.15295	11.5
297.24347	100.0
298.15530	1.1
298.24683	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	299.0773
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
51.79256	0.8
57.03435	1.5
58.00581	2.8
59.01381	66.2
60.01713	1.0
61.98832	1.1
62.67167	1.0
71.01383	32.4
71.04070	2.3
72.99297	4.4
73.02955	1.8
76.62947	0.9
83.01385	2.8
85.02956	9.3
87.00885	1.2
88.64892	1.1
89.01921	1.9
89.02452	29.0
92.41792	0.9
93.03458	32.2
94.03793	1.3
95.01377	4.0
99.00893	0.9
101.02449	16.8
107.05020	1.3
108.02169	1.1
109.02961	2.0
113.02448	14.8
119.03510	10.1
121.02954	2.1
123.04505	1.5
125.02439	1.8
135.04512	3.4
136.01675	5.5
136.05321	8.1
137.02449	100.0
137.06068	2.8
138.02733	2.7
138.05650	7.0
143.03572	1.6
149.02415	2.7
149.04611	1.3
151.04028	5.3
161.04512	1.4
164.04776	2.6
165.05569	3.5
167.40007	0.9
177.05556	1.6
179.03497	37.8
180.03877	2.4
195.06827	1.6
207.06659	2.9
209.04561	4.0
237.07661	4.6
239.05574	15.2
240.05922	1.0
299.07733	53.8
299.14896	1.8
300.08142	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	299.0773
Annotation	glucosyl salicylate
Peak:m/z	Relative Intensity
50.13138	0.3
53.54004	0.3
57.03432	0.3
58.00583	0.3
59.01383	11.2
68.01398	0.4
70.93369	0.5
70.93713	0.5
71.01385	7.8
72.99304	0.4
73.02959	0.7
85.02945	2.5
87.31659	0.3
89.02440	6.9
93.03460	63.8
94.03785	1.7
95.01367	0.8
99.00881	0.5
101.02445	4.4
113.02457	2.9
119.03535	2.9
119.05029	3.6
123.03265	6.0
127.05119	0.5
129.10388	0.5
137.02449	100.0
138.02782	3.9
138.05612	65.3
145.06129	0.4
149.04520	0.3
152.07204	0.4
161.04597	0.7
166.41490	0.3
180.06657	1.2
196.14536	0.5
299.07794	1.0
299.11459	0.4
300.10925	4.0
300.15689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00875	7.8
56.39550	7.8
59.01367	37.1
60.95695	7.8
71.01395	14.1
71.02869	19.3
71.94804	7.6
76.47330	8.8
88.53371	8.1
89.02561	7.7
92.68294	8.8
93.03462	70.4
132.21959	8.6
137.02440	100.0
179.03513	17.6
226.43030	11.1
270.15079	9.0
299.07651	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	299.0925
Annotation	4,8-Dihydroxy-2,3,7trimethoxyphenanthrene
Peak:m/z	Relative Intensity
52.53830	0.3
54.39107	0.2
57.06905	0.2
76.78563	0.3
89.21384	0.3
98.20714	0.7
138.05647	0.9
157.59843	0.3
170.03770	0.6
174.03160	0.4
182.03822	0.9
186.03276	0.3
202.02745	1.3
213.01875	0.5
214.00677	0.4
214.02722	6.3
215.02943	0.3
224.95447	0.3
226.02702	8.9
227.03094	0.8
229.01448	0.5
230.02158	2.7
237.01945	4.7
238.02325	0.3
241.05219	0.4
252.98700	0.4
253.01425	25.3
254.02191	35.7
255.02557	2.6
257.00912	2.5
269.04547	100.0
270.04883	7.2
284.06903	35.7
285.07281	3.1
299.09229	31.9
299.22266	0.7
300.09518	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	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89653	1.0
55.01880	1.1
55.08246	1.0
57.03447	1.6
58.00591	4.1
59.01381	95.6
68.01412	2.2
71.01384	58.5
71.55788	1.8
72.55961	1.0
72.99313	4.2
73.02939	1.7
79.95719	1.1
81.41018	1.0
83.01414	1.7
85.02948	10.6
87.00890	3.3
89.02445	75.8
95.01388	4.2
96.19833	1.0
101.02443	32.3
102.02808	1.2
107.05049	2.5
109.02945	2.6
113.02454	22.6
119.03510	31.0
119.05002	16.6
121.02922	1.1
122.02474	1.4
123.03282	6.1
130.08723	3.3
131.03506	4.4
137.02454	11.5
137.06099	6.7
138.05614	100.0
143.03453	2.9
152.07181	1.2
161.04495	2.3
163.00345	1.2
167.05887	2.6
179.05618	2.8
180.06650	5.1
214.15623	1.8
299.05652	1.3
299.11530	12.4
300.10941	15.4
300.14191	1.4
300.15887	1.5
300.19217	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	299.1133
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01880	1.6
57.03442	3.2
58.00599	5.7
58.02975	2.4
59.01379	100.0
60.01695	1.8
60.55525	1.0
69.03483	1.4
70.73129	1.4
70.73458	2.1
71.01381	68.2
72.99305	6.1
73.02934	1.8
74.02483	4.4
74.12538	0.9
74.95758	0.9
75.00876	1.9
81.90426	1.1
82.09402	1.1
83.01392	2.3
85.02952	11.6
87.00892	3.8
88.04034	11.8
89.02444	83.2
93.03429	1.3
95.01394	4.4
96.95988	1.0
97.02988	1.1
99.00884	1.0
101.02438	33.4
107.05037	5.1
113.02447	22.3
119.03513	30.1
119.05013	26.5
119.05904	1.1
131.03496	2.6
137.02394	1.6
137.06058	9.1
138.05614	19.0
143.03529	2.7
143.11911	1.7
149.04530	1.4
150.72780	1.1
152.07169	2.1
157.13464	2.0
161.04549	2.9
163.00342	1.8
165.04456	1.0
179.05620	3.6
201.12476	2.4
211.10863	1.4
214.15567	1.2
225.16014	1.4
241.94281	1.0
299.08475	1.4
299.11383	7.1
299.15012	2.6
300.10834	2.5
300.15634	7.5
300.19284	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	299.1864
Annotation	7-Hydroxy-10-methoxydeacetyldihydrobotrydial
Peak:m/z	Relative Intensity
55.51375	1.7
57.03446	2.9
59.01381	65.4
64.43702	1.7
69.97215	6.5
71.01374	2.3
83.05030	2.9
87.04528	2.5
101.37604	1.8
109.02370	1.8
111.04472	1.7
118.96644	2.1
119.67754	1.9
138.05576	3.6
139.11206	1.9
140.38612	1.8
167.14420	57.6
168.14703	3.9
211.13394	100.0
212.13712	5.3
213.14957	6.9
217.00240	3.0
225.01962	2.1
226.02678	3.1
227.03494	2.3
227.16431	10.6
229.14438	79.6
230.14708	3.3
237.18550	7.6
239.16487	34.2
257.17569	91.5
258.17825	6.3
263.16376	3.3
269.04514	5.7
281.17572	34.0
282.17935	2.6
284.06967	3.0
284.10339	1.9
299.01907	2.8
299.05588	2.0
299.09241	5.9
299.12677	2.6
299.18607	23.9
299.22247	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	299.2589
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
50.61621	0.9
59.01379	1.6
68.55316	0.9
69.31928	2.0
69.32324	7.5
73.58723	1.1
113.29874	0.9
138.05626	3.3
141.12883	2.3
150.20595	0.9
156.59154	0.8
161.09947	0.8
185.00810	1.4
241.28407	0.9
253.25441	2.2
281.24847	2.5
299.05527	1.4
299.09161	1.1
299.15018	2.5
299.20587	16.1
299.25903	100.0
300.20575	2.1
300.26221	8.4
307.74857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00332	0.5
58.00581	0.3
59.01382	2.1
67.61931	0.3
68.01414	3.1
69.67947	0.6
69.68355	0.9
71.01379	0.6
94.06661	0.3
98.19915	0.4
110.06139	0.5
122.02489	1.2
122.06149	0.4
123.03276	6.3
123.04172	0.3
124.04070	0.3
124.07710	1.0
125.19532	0.2
136.07689	0.6
137.04816	1.0
137.09637	0.3
138.05620	100.0
139.05963	3.7
143.68777	0.2
152.07152	1.8
157.05688	0.3
166.08763	0.4
167.05853	2.6
168.06630	0.6
180.06676	5.1
210.07768	0.4
240.08734	0.3
300.10880	13.2
301.11331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02514	0.2
59.01374	1.9
68.01419	0.4
69.54241	1.8
71.01373	0.7
85.02959	0.2
89.02454	0.7
93.03448	2.7
94.03790	2.2
95.04994	0.3
113.02422	0.4
120.78637	0.2
122.02451	0.8
123.00885	0.9
123.03265	10.4
124.07692	0.3
137.02452	2.9
137.04843	0.8
138.02765	3.1
138.05611	100.0
139.05965	3.1
142.16473	0.2
143.11931	0.3
152.07205	0.8
165.04298	0.6
167.05884	0.6
168.06561	0.2
177.01958	0.5
180.06662	1.6
194.74258	0.3
255.06509	0.3
300.10886	5.4
301.11212	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21918	0.2
54.87402	0.2
58.97907	0.2
59.01382	2.1
68.01398	0.5
69.83477	1.2
71.01378	1.1
71.97528	0.2
74.02434	0.2
74.13804	0.2
76.37275	0.2
85.02953	0.4
86.02547	0.2
89.02443	1.1
93.03440	0.5
94.03808	0.4
98.19958	0.3
101.02444	0.8
108.08198	0.3
113.02464	0.3
119.03539	0.4
120.05380	0.4
122.02478	0.7
122.36945	0.2
123.00869	1.0
123.03271	9.2
124.03596	0.5
127.05140	1.5
129.10344	0.9
137.02443	0.9
137.04810	0.9
138.05612	100.0
139.05995	2.9
145.06200	0.8
152.07211	0.6
155.36476	0.2
165.04381	0.6
167.05861	0.4
180.06645	2.0
196.14587	1.5
214.15588	0.6
238.79109	0.2
255.06544	0.3
291.33066	0.2
300.10837	4.9
300.15750	1.7
300.18994	0.3
301.11215	0.4
301.16336	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99023	0.8
58.02979	2.8
58.09522	0.8
59.01368	3.2
64.22937	0.9
69.22372	3.7
69.22797	4.6
71.01395	1.5
74.02475	18.5
75.00903	1.2
82.02975	1.9
82.06628	0.9
83.06149	5.7
84.04557	7.8
84.20728	0.9
93.03452	2.6
96.03313	1.0
101.07208	4.1
107.02518	1.6
109.04081	6.1
112.07687	1.1
116.07175	3.4
119.04999	1.1
120.04568	0.9
121.02968	1.3
123.00880	9.0
123.02419	1.2
123.03265	10.7
124.00717	1.3
124.04137	0.9
125.03592	2.6
126.01962	1.7
126.09251	1.6
127.05138	67.6
128.03568	8.0
128.05498	2.6
129.10342	55.4
130.08714	1.1
130.10649	1.5
137.02391	2.6
137.04793	0.8
138.03363	5.0
138.05609	89.6
139.04031	1.4
139.05933	3.9
143.11902	6.5
145.06190	53.6
146.06561	1.2
149.02431	2.3
151.00461	1.0
151.04041	0.9
152.07143	1.7
153.10321	4.0
154.08728	12.0
155.11931	3.7
156.58057	0.8
163.00339	1.3
167.03520	2.4
171.11371	3.0
171.15117	1.1
175.02538	1.1
177.01918	5.7
180.06674	2.1
189.01947	1.2
190.02811	1.2
195.15073	1.5
196.14543	79.3
197.13060	1.6
197.14873	4.7
197.16522	1.2
199.04050	2.1
213.05727	1.0
214.15602	44.9
215.15927	2.1
223.10881	2.0
225.16136	3.7
227.03447	2.7
238.15625	7.7
240.04454	1.0
242.04849	1.1
243.17570	0.8
255.02957	1.7
255.06685	3.7
256.16708	10.2
256.20300	5.1
257.17084	1.3
257.20441	0.8
258.14819	1.0
270.05386	1.2
271.06091	1.5
282.14633	12.4
283.06073	5.5
283.15234	1.0
285.07654	5.2
286.08417	1.8
300.10907	5.0
300.15677	100.0
300.19257	11.4
300.99789	1.2
301.10675	1.4
301.16031	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	94.2
60.01719	0.7
63.40970	0.3
69.91055	2.0
82.11322	0.4
82.97894	0.4
113.49582	0.4
113.64298	0.4
115.02514	12.6
116.02615	1.0
117.00443	8.2
123.00842	0.6
141.00511	0.4
156.99907	0.6
157.03569	2.7
159.01492	100.0
159.97382	0.6
160.01633	5.7
201.02548	23.9
202.02713	1.5
217.00638	1.1
241.00423	0.4
247.01680	0.4
259.01614	3.4
263.43359	0.4
301.02658	45.9
301.21713	0.5
302.02841	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	301.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42425	1.8
52.55633	1.3
53.26398	1.4
57.03447	2.9
57.78759	1.6
63.02401	8.6
65.00323	22.0
65.32407	1.4
68.38144	1.6
68.99827	2.2
69.48793	8.0
69.49220	3.7
80.99906	1.7
83.01383	18.7
93.03458	43.1
95.01382	5.6
107.01398	30.8
109.02941	5.2
117.03451	7.9
123.00859	3.1
123.74789	1.7
124.01666	6.9
125.02442	11.6
135.00874	3.1
135.04486	9.4
137.02438	4.3
143.05019	1.8
145.02948	3.9
151.00369	77.5
152.01169	25.6
153.01915	6.9
159.04510	7.0
161.02406	12.6
161.06039	2.6
163.00349	16.5
164.01088	2.2
169.01474	2.0
178.99870	28.2
179.01335	2.7
180.00252	1.9
185.06105	1.7
187.03966	3.6
191.03548	4.0
191.14912	1.4
201.05548	11.0
202.26300	1.4
206.99348	29.4
208.00136	20.5
213.05443	2.4
215.03497	3.9
229.05049	6.8
233.80397	1.5
244.69695	1.7
245.04532	76.3
246.04849	3.3
257.04501	12.3
258.04892	1.9
273.04031	100.0
274.04373	7.9
283.02582	4.7
301.03574	22.1
301.06970	2.8
302.03665	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	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09512	0.3
59.01373	0.6
63.02396	9.3
65.00324	17.1
66.46651	0.4
69.50771	2.7
81.03454	0.4
83.01387	10.9
93.03466	5.6
95.01368	0.9
107.01389	27.9
108.01694	0.6
108.04517	0.6
108.99371	0.5
109.02955	2.7
111.89540	0.5
119.44592	0.4
120.25497	0.4
121.02955	23.5
122.03321	0.5
123.00887	2.5
123.28065	0.4
124.01692	0.7
125.02468	1.4
135.04521	0.5
136.07678	1.2
137.02458	0.4
138.03235	1.1
139.04034	2.3
145.02992	0.7
149.02429	3.3
151.00366	75.8
152.00644	2.4
159.04480	0.8
161.02435	1.4
163.00336	1.8
163.04019	1.3
164.01164	1.9
169.01421	2.3
175.04010	1.1
178.99852	26.7
180.00180	1.0
183.04504	0.5
185.06052	0.6
187.03928	1.0
192.00656	0.8
193.01376	1.9
201.05508	1.1
203.03697	0.4
205.04985	0.6
206.99373	0.6
211.04001	1.7
213.01884	0.6
213.05508	0.8
214.02745	0.4
227.03522	1.2
229.05136	2.7
230.61540	0.4
234.49370	0.4
240.67197	0.4
241.05141	0.8
242.05832	1.1
243.02977	0.9
245.04512	3.0
255.02988	0.8
255.06711	0.4
256.03510	0.4
257.04440	0.9
257.08154	1.4
257.12900	3.0
271.06247	0.6
273.04062	6.0
286.08334	0.7
301.03516	100.0
302.03836	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.6
59.01381	0.9
63.02402	6.5
64.99997	1.2
65.00327	17.2
71.01405	0.9
71.56160	0.8
79.01907	0.5
83.01385	11.1
91.01907	1.1
92.78288	0.6
93.03465	16.5
95.01381	3.4
97.02968	1.5
107.01395	24.4
108.02240	1.3
108.99308	0.8
109.02963	10.4
111.00882	0.7
117.03473	2.8
119.01395	1.9
119.05043	2.3
121.02972	13.2
123.00897	4.0
123.26395	0.7
124.01685	2.9
125.02460	4.9
127.19797	0.6
129.03601	0.6
131.05054	0.6
135.00899	2.5
135.04546	3.4
137.02437	2.3
138.03221	2.3
139.04004	1.7
143.05063	2.0
145.02974	5.1
148.01701	0.8
149.02446	3.1
151.00377	65.5
152.01183	9.2
153.01918	2.9
155.03572	1.5
156.05768	0.6
157.06551	1.5
159.04582	4.1
161.02475	3.6
161.06079	2.1
163.00378	13.4
163.04068	1.3
164.01093	2.4
165.01930	0.7
167.05081	1.3
169.01463	3.1
169.06543	0.8
171.04494	1.1
172.05084	0.6
173.06178	1.1
174.03358	0.9
175.03975	0.7
177.01900	0.9
177.05565	0.8
178.99867	23.3
180.00320	0.8
183.04515	1.9
184.05005	0.6
185.06148	4.0
187.03964	1.8
189.05560	1.2
190.99916	1.0
191.03502	0.9
192.46405	0.6
193.01436	0.7
199.04103	2.2
200.04372	1.0
201.05576	5.8
202.02275	0.8
203.03563	1.6
205.04974	0.8
206.99338	8.6
208.00163	6.6
210.03404	0.9
211.04012	3.9
212.04668	0.9
213.01907	1.4
213.05586	1.4
215.03517	2.5
227.03423	3.8
228.03891	1.7
229.05040	17.0
239.03613	1.5
241.05055	4.7
243.02942	1.8
244.03328	6.1
245.04543	29.5
246.04910	1.5
255.02930	7.8
255.06660	1.5
256.03336	11.9
257.04684	4.1
271.02527	3.1
271.06085	0.8
272.02814	23.7
273.04053	34.8
274.04297	1.2
283.02536	4.5
283.06125	1.7
284.03076	1.2
301.03473	100.0
301.07220	14.7
301.22006	0.9
302.03793	8.2
302.07639	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	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89406	1.3
54.93759	1.7
57.03438	2.6
59.01395	1.9
63.02396	10.4
65.00325	27.6
66.14570	1.6
68.99818	2.2
69.26427	12.9
69.26830	3.3
83.01387	20.8
85.71711	1.4
93.03458	44.3
95.01385	6.8
107.01384	39.7
109.02960	3.1
117.03455	6.6
119.05029	2.3
121.02949	3.3
123.00883	8.1
124.01674	9.8
124.33370	1.6
125.02466	16.7
134.00153	2.2
135.00899	5.6
135.04533	10.0
137.02451	7.5
137.06027	1.6
139.00366	2.0
139.03951	1.7
139.05971	1.8
143.05002	2.1
145.02954	4.5
147.04536	2.3
148.23207	1.5
151.00369	91.9
152.01166	27.0
152.77557	1.4
153.01900	6.9
159.04506	6.0
161.02470	12.2
161.06073	3.6
163.00357	17.4
164.01089	3.4
173.97487	1.8
178.99858	32.8
185.06107	2.2
187.03983	4.7
191.03493	2.2
201.05591	10.2
206.99330	31.9
208.00070	18.4
211.03911	2.7
213.05521	4.3
215.03465	6.5
229.05086	7.9
231.94159	1.8
245.04527	85.6
246.04935	6.1
255.03011	3.0
255.06587	2.3
256.03574	1.8
257.04608	11.2
270.08902	2.1
271.06140	12.3
273.04056	100.0
274.04428	7.8
283.02466	5.8
286.08514	8.7
301.03516	24.4
301.10806	7.9
301.16687	2.1
308.72266	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83272	0.2
51.46204	0.2
59.87833	0.2
65.00327	0.7
67.26165	0.3
68.54021	0.2
69.03416	0.3
71.04881	0.5
75.23976	0.2
93.03459	3.5
95.01379	0.6
107.01401	0.6
108.02171	0.4
109.02984	0.3
110.00091	0.6
111.00886	2.9
117.03462	0.7
119.05036	0.5
121.51024	0.2
123.00886	1.8
123.04580	0.3
124.01651	1.0
125.02453	1.1
130.04300	0.4
130.45618	0.2
131.05054	0.6
133.02940	0.7
136.01750	0.3
136.98787	0.5
137.02419	0.3
138.03262	0.3
139.00400	2.2
143.05002	1.0
145.02985	0.4
145.06596	0.4
147.04550	0.5
151.00354	1.5
152.01126	0.8
155.05038	1.6
156.05746	0.5
157.06548	0.4
158.03685	0.5
159.04520	1.0
165.98988	0.5
171.04550	1.8
173.06033	1.6
173.19258	0.2
175.04031	0.3
178.99869	0.5
180.00612	0.3
182.03687	0.5
183.04533	1.9
183.13939	0.4
184.05151	0.5
185.06079	0.6
187.03993	0.9
199.04036	1.0
200.04854	1.0
201.05594	3.6
202.05757	0.4
206.99246	0.3
210.03252	0.4
211.03998	1.8
217.05045	2.4
227.03503	2.7
228.04118	0.5
229.04929	1.3
239.03513	0.5
243.02991	1.0
244.03738	0.5
245.04520	6.0
255.02983	4.6
256.03561	0.8
257.04849	0.2
271.02484	0.9
271.06134	0.6
273.04059	1.0
283.02515	1.1
284.03033	0.4
286.08365	0.5
294.41510	0.2
301.03522	100.0
302.03851	8.3
314.84073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
53.14610	0.7
57.03432	1.6
59.01368	0.9
63.02395	9.5
65.00320	29.0
67.01870	1.1
68.99812	1.8
69.51895	5.4
83.01384	23.9
91.01896	0.9
93.03455	46.1
94.03799	0.7
95.01380	7.7
96.99329	0.8
107.01389	42.9
109.02937	1.9
111.00871	2.7
117.03458	8.6
119.01355	0.9
119.05023	1.8
121.02923	2.3
123.00879	8.4
123.04459	0.9
124.01654	9.0
125.02441	16.5
133.06558	1.0
134.03706	1.6
135.00885	5.5
135.04520	8.6
136.01678	6.4
137.02463	5.5
138.03241	4.3
139.00374	1.1
139.03955	0.9
143.05009	3.4
145.02946	3.7
145.06587	1.3
151.00365	93.3
151.03935	4.5
152.01158	25.5
153.01945	7.0
157.06590	1.2
158.03769	1.2
159.04500	7.1
161.02437	11.5
161.06091	3.0
163.00378	17.6
163.04015	0.9
164.01050	1.8
169.01392	2.3
171.04526	0.9
173.02477	1.0
173.06009	1.1
177.05547	2.1
178.99858	30.6
183.04478	1.3
185.06100	3.0
187.04071	4.1
189.05577	2.0
191.03499	3.6
199.03955	1.2
201.03860	1.0
201.05580	10.6
202.05836	0.9
205.05058	1.1
206.99342	28.2
208.00089	20.7
211.03957	2.5
212.08917	0.8
213.05518	1.7
215.03479	6.1
227.03471	1.4
229.04974	9.0
233.04520	1.4
245.04529	77.0
246.04932	5.4
253.05170	0.9
255.02986	5.4
257.04535	12.4
258.05081	1.1
271.06128	1.9
273.04031	100.0
274.04446	5.6
283.02411	5.8
286.04843	9.2
286.08002	1.1
287.05237	1.2
300.99918	2.0
301.03528	23.6
301.07150	14.6
301.10760	2.2
302.03806	1.4
302.07288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07518	0.4
57.77663	0.4
59.01384	0.7
63.02087	0.6
63.02397	6.4
65.00327	15.5
66.00671	0.6
71.01390	2.1
71.56812	0.5
73.02941	3.6
76.11289	0.4
80.02674	1.3
80.60233	0.4
83.01389	8.9
93.03461	5.7
95.01387	1.6
101.02475	1.2
101.76311	0.4
107.01396	24.1
108.01571	0.6
108.02199	9.5
109.02958	0.5
109.30843	0.4
115.90258	0.4
117.03466	1.1
117.74356	0.5
121.03001	0.8
123.00903	5.9
123.04540	2.4
124.01684	2.3
125.02469	2.9
134.03746	28.2
135.00882	0.9
135.04449	1.6
136.01674	7.8
137.02441	1.0
138.03249	2.1
139.05983	0.4
141.03474	1.2
145.02957	1.5
149.02480	0.6
149.06085	16.4
151.00374	54.2
151.03873	2.0
152.01176	4.5
153.01939	1.0
153.03525	0.5
159.04520	1.1
160.01721	0.5
161.02443	1.7
163.00427	2.3
164.01160	7.2
165.01965	2.1
169.01430	2.4
169.02892	1.0
171.04521	0.7
174.03189	1.2
175.03783	0.4
177.01958	5.4
178.99854	4.4
182.03726	2.3
183.04433	1.2
183.13916	1.4
187.03973	0.5
196.00124	6.8
199.04010	1.3
200.04784	0.5
201.01839	1.4
201.05540	1.1
206.99335	3.5
208.00122	2.6
210.03229	13.2
211.03972	5.9
213.01950	6.3
215.03520	1.3
225.05589	2.8
227.03529	1.0
229.04974	0.9
237.01964	1.3
241.05099	1.2
242.05812	1.7
245.04578	9.7
246.04811	0.9
253.05070	0.5
255.02910	1.4
255.07025	0.4
257.04544	1.7
257.08261	2.1
269.04562	15.6
270.04947	1.5
271.06079	1.6
273.04044	11.6
274.04434	0.9
283.02591	0.8
285.03964	1.5
286.04898	5.4
286.08081	0.8
301.04028	3.4
301.07166	100.0
302.07510	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	301.0718
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
54.95009	0.6
59.01371	1.0
63.02388	1.0
65.00307	1.7
71.01376	1.7
71.56724	0.8
73.02925	0.8
82.22917	0.6
83.01358	1.0
86.78422	0.5
93.03446	1.4
95.01314	0.6
95.84082	0.6
107.01361	3.8
107.69784	0.6
109.02970	0.8
111.00874	0.6
121.02943	2.7
123.00918	3.1
125.60925	0.6
134.04582	0.6
138.03217	2.6
139.04041	0.9
143.05011	0.8
149.02405	2.3
151.00377	10.2
171.04489	1.8
173.02373	0.6
178.99861	4.1
187.03987	2.8
199.04037	3.5
200.04536	0.6
200.06728	0.7
201.05539	1.9
210.03210	0.7
211.03905	1.9
211.13409	7.2
212.04794	7.6
215.03517	10.1
227.03485	4.8
228.04056	1.1
229.05026	3.1
239.03482	10.3
240.04294	7.1
241.04895	0.9
242.02243	1.1
243.02934	10.9
244.03278	1.1
245.04530	1.8
253.05070	1.9
254.02177	3.8
255.02856	1.6
255.06659	0.9
256.03751	1.1
257.04568	11.7
258.05042	2.1
267.02899	2.5
268.03732	6.4
269.04529	19.8
270.01764	1.0
270.04825	1.4
270.08929	1.2
271.02429	6.6
271.05991	1.7
273.04016	2.5
285.04062	35.6
286.04807	51.4
287.05106	4.0
301.03595	12.3
301.07123	100.0
302.04239	0.8
302.07468	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	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07518	0.4
57.77663	0.4
59.01384	0.7
63.02087	0.6
63.02397	6.4
65.00327	15.5
66.00671	0.6
71.01390	2.1
71.56812	0.5
73.02941	3.6
76.11289	0.4
80.02674	1.3
80.60233	0.4
83.01389	8.9
93.03461	5.7
95.01387	1.6
101.02475	1.2
101.76311	0.4
107.01396	24.1
108.01571	0.6
108.02199	9.5
109.02958	0.5
109.30843	0.4
115.90258	0.4
117.03466	1.1
117.74356	0.5
121.03001	0.8
123.00903	5.9
123.04540	2.4
124.01684	2.3
125.02469	2.9
134.03746	28.2
135.00882	0.9
135.04449	1.6
136.01674	7.8
137.02441	1.0
138.03249	2.1
139.05983	0.4
141.03474	1.2
145.02957	1.5
149.02480	0.6
149.06085	16.4
151.00374	54.2
151.03873	2.0
152.01176	4.5
153.01939	1.0
153.03525	0.5
159.04520	1.1
160.01721	0.5
161.02443	1.7
163.00427	2.3
164.01160	7.2
165.01965	2.1
169.01430	2.4
169.02892	1.0
171.04521	0.7
174.03189	1.2
175.03783	0.4
177.01958	5.4
178.99854	4.4
182.03726	2.3
183.04433	1.2
183.13916	1.4
187.03973	0.5
196.00124	6.8
199.04010	1.3
200.04784	0.5
201.01839	1.4
201.05540	1.1
206.99335	3.5
208.00122	2.6
210.03229	13.2
211.03972	5.9
213.01950	6.3
215.03520	1.3
225.05589	2.8
227.03529	1.0
229.04974	0.9
237.01964	1.3
241.05099	1.2
242.05812	1.7
245.04578	9.7
246.04811	0.9
253.05070	0.5
255.02910	1.4
255.07025	0.4
257.04544	1.7
257.08261	2.1
269.04562	15.6
270.04947	1.5
271.06079	1.6
273.04044	11.6
274.04434	0.9
283.02591	0.8
285.03964	1.5
286.04898	5.4
286.08081	0.8
301.04028	3.4
301.07166	100.0
302.07510	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	301.093
Annotation	Isotachioside
Peak:m/z	Relative Intensity
50.60388	0.3
56.52059	0.3
59.01380	1.0
64.73840	0.3
69.84339	1.8
69.93160	0.3
71.01382	4.6
73.02938	1.7
83.01377	0.6
85.02940	1.6
88.04041	0.3
89.02425	0.6
93.03491	0.4
95.01391	6.4
99.00880	0.6
101.02428	3.1
108.02164	0.9
109.02945	0.7
110.04381	0.3
110.89820	0.3
113.02454	2.9
115.00369	0.6
121.02943	2.5
123.00887	100.0
124.01615	5.4
125.02425	0.7
136.01686	0.7
137.02457	3.4
138.03227	64.1
139.04033	14.4
140.04381	0.5
143.03470	0.4
149.02444	2.3
150.03241	0.8
151.03957	1.5
154.09581	0.4
159.02960	0.7
161.04550	3.8
163.04027	1.1
166.02698	2.0
170.96092	0.6
178.02724	1.3
179.03416	0.4
181.05069	5.5
193.05019	2.6
196.97678	0.9
216.55141	0.3
258.14584	0.4
300.98819	0.7
301.09290	3.0
302.13538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.2
61.98823	10.5
62.24799	1.7
71.01376	9.0
71.55928	3.1
73.02959	2.4
74.02475	6.8
75.00899	1.7
81.03446	1.8
82.02952	2.2
85.02964	4.2
88.04034	4.4
93.03468	3.4
95.01381	9.3
97.02950	2.1
99.00919	2.8
99.04534	2.4
101.02414	2.2
111.00937	2.9
113.02498	4.5
119.21700	1.8
121.02984	5.1
123.00890	100.0
124.01653	5.9
124.98848	1.8
125.02461	3.1
125.03524	2.1
127.00373	2.1
137.02405	5.1
138.03235	59.8
138.05623	3.2
139.00391	3.0
139.04034	23.8
139.05927	4.3
140.07208	2.6
143.00339	2.2
143.03499	1.8
143.11909	1.9
148.02832	2.2
149.02402	4.6
150.03209	2.1
151.04018	3.9
154.50912	1.6
155.03511	2.3
161.04626	3.6
166.02725	2.2
166.08757	3.5
167.03534	1.8
169.09732	1.8
170.96158	2.4
175.02435	2.0
181.05112	6.3
193.05016	5.5
196.97665	7.2
212.14398	1.7
212.97163	2.9
213.03970	2.3
241.08231	6.0
255.06566	3.7
258.14523	3.9
267.09888	6.2
271.05905	3.5
284.12515	5.1
286.08389	2.1
300.98859	4.0
301.08923	4.4
301.21695	3.6
302.16995	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	301.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20093	0.3
64.14561	0.3
107.44182	0.3
111.83002	0.3
123.00875	1.6
124.01634	0.3
130.13789	0.3
135.88223	0.3
138.03201	0.7
151.00294	0.4
184.05241	0.9
188.77086	0.3
201.05658	0.3
211.03955	0.5
213.01988	0.3
227.03510	1.4
228.04280	12.8
228.47554	0.3
229.04640	1.0
229.75107	0.5
237.01930	0.7
239.03494	11.8
240.03937	0.8
241.01466	0.5
241.04918	0.4
242.05788	1.0
243.06587	2.7
244.06769	0.3
255.02975	10.5
256.03754	26.5
257.04193	1.5
271.06110	100.0
272.06445	7.2
272.09363	0.5
273.04080	0.6
286.08466	52.5
287.08823	4.2
301.10806	31.4
302.11130	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
57.26439	0.5
60.97508	1.0
70.86774	0.7
70.87089	0.6
74.99111	0.8
118.96262	1.3
134.99408	6.3
136.97331	2.0
143.05356	1.4
159.08464	1.5
161.06396	4.8
201.04138	0.5
203.05615	2.9
204.05801	0.5
205.03523	0.8
215.05594	1.4
217.07204	88.9
218.07367	6.1
285.13489	39.5
286.13647	2.8
301.16595	100.0
302.16776	11.4
323.07956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0512
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.01789	0.7
57.03451	18.3
59.01380	3.3
65.00328	3.2
66.56626	0.8
69.46041	3.3
69.46458	2.9
72.74725	0.8
74.00701	1.6
81.03481	1.0
83.01388	6.6
92.14880	0.8
93.03454	1.3
95.01344	1.1
100.00430	1.9
107.01393	3.1
108.02155	1.5
109.02953	3.6
111.00892	1.3
121.02958	2.8
123.00957	0.9
123.04533	7.1
124.01659	2.2
125.02451	100.0
126.02803	1.9
128.03514	1.5
137.02472	2.2
137.54195	0.8
139.03999	2.3
145.03032	1.2
146.03741	0.9
147.04524	1.8
149.02469	6.0
150.03226	7.0
151.00381	8.4
151.03993	10.6
152.01187	4.3
152.02284	0.8
153.01959	7.6
159.04549	0.8
160.37798	0.9
161.02452	1.3
161.06088	1.2
162.37898	0.8
165.05565	2.0
169.06232	2.0
170.79906	0.8
171.04543	1.8
173.02533	1.3
173.06117	0.9
174.03218	3.0
175.01772	1.0
175.03992	18.7
176.04449	1.1
177.01927	17.2
178.99854	8.3
181.01488	2.1
188.04796	1.9
189.05513	4.2
191.03531	1.2
191.07172	1.0
193.05070	4.6
199.04015	7.9
201.01941	2.7
213.05608	1.9
215.07301	1.0
216.04225	1.7
217.05038	9.6
217.23380	0.9
222.81802	0.8
223.09723	0.9
229.13556	0.8
231.06665	1.3
241.05035	5.8
243.02925	1.2
254.10564	1.4
255.11536	1.0
257.04611	1.4
257.12997	1.1
259.06113	6.6
275.05695	6.3
285.04047	57.8
285.12411	5.7
286.04391	4.2
303.05063	6.5
303.08923	2.5
303.13495	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	303.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85641	0.6
53.96492	0.6
54.24765	0.6
59.01382	100.0
60.01735	0.8
65.23031	0.7
69.34258	6.5
71.01384	18.0
72.99319	1.5
73.02950	11.8
83.01409	2.3
85.02974	2.4
89.02445	5.8
95.01400	0.7
96.96049	1.2
101.02450	13.6
113.02457	4.4
119.03529	1.9
125.02468	1.0
140.68948	0.7
161.04608	1.1
162.40105	0.6
167.75400	0.6
185.11862	1.3
227.03484	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63756	0.1
59.01377	2.6
60.01707	0.2
61.98828	100.0
69.60300	0.1
71.54665	0.2
72.12082	0.1
93.01736	0.1
119.00184	0.2
120.50024	0.1
131.97827	0.1
146.93399	0.2
159.01472	0.6
159.97369	0.2
160.01604	1.0
161.01186	1.1
161.98940	19.7
162.96533	0.2
162.99072	1.0
180.89992	0.1
202.02689	0.3
203.02438	0.2
203.99979	4.3
205.00085	0.4
214.19666	0.1
219.97836	0.2
250.95149	0.1
261.98972	0.4
266.86966	0.1
304.00043	12.6
304.02692	0.6
305.00055	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	304.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59075	7.1
59.01371	19.5
61.98837	100.0
64.70783	5.5
69.90453	9.9
69.90859	26.9
71.01402	12.0
73.07861	5.2
74.02464	12.6
79.53255	5.6
85.04076	6.7
87.00877	9.0
98.20619	9.8
113.02388	7.4
113.03638	5.8
118.87114	6.6
125.02456	7.0
125.03532	8.3
130.08731	44.0
141.06667	5.7
143.04601	14.4
143.11914	36.5
189.07063	9.9
200.14052	17.8
219.37811	6.0
233.90506	5.6
244.12938	9.5
252.37183	5.9
258.26917	6.4
274.14108	44.4
304.15170	11.3
305.08463	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	48.0
59.03312	0.4
70.02956	0.4
70.83548	0.9
74.46181	0.4
91.44998	0.3
168.13937	100.0
169.14279	5.4
195.31303	0.4
212.12947	3.9
304.19220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
65.13466	0.5
66.82972	0.6
79.95737	7.5
93.03481	0.7
131.50720	0.5
182.07358	17.6
183.07774	0.8
209.06038	7.3
210.06859	35.2
211.04117	0.7
211.07219	2.4
225.09213	100.0
226.09547	8.2
230.60133	0.8
241.75415	0.6
287.16516	0.9
305.04892	63.7
305.17523	1.0
306.05276	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	305.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	6.1
59.01378	21.9
61.98805	3.1
71.01384	61.1
71.01777	3.9
71.55696	3.3
72.99310	2.2
73.02953	5.4
83.01425	2.0
85.02971	5.3
87.00914	1.7
88.04044	59.1
89.02448	6.9
95.01415	1.7
98.06145	2.1
99.05643	29.9
101.02450	8.3
109.79937	2.1
112.74626	1.7
113.02473	4.9
115.00381	66.3
132.03032	18.0
133.03058	1.8
141.06715	24.4
142.05115	6.2
143.07227	4.4
146.54257	1.9
147.04900	2.1
147.05916	12.4
148.04376	8.1
161.04547	2.2
165.05513	1.7
172.04391	4.3
189.07028	100.0
190.05440	47.1
190.07133	3.6
191.05865	2.3
219.08134	2.0
221.04552	2.5
226.27827	1.7
261.09131	17.7
305.08163	68.0
305.15872	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	305.1505
Annotation	Ruxolitinib
Peak:m/z	Relative Intensity
55.75295	0.9
58.02966	6.1
59.01370	2.5
69.30238	2.7
69.30660	5.1
72.00898	3.4
80.06717	0.8
91.05532	15.8
91.25302	0.8
108.20205	0.8
110.19942	0.9
112.07716	1.2
115.08775	75.7
116.09119	1.5
118.06626	3.4
119.95407	0.8
139.08777	5.1
140.07184	7.9
147.04517	23.2
147.98412	0.9
148.04807	1.2
157.09821	59.2
158.10176	1.4
164.07167	65.8
165.07454	3.1
169.09802	1.2
180.02634	0.9
202.12346	1.0
219.15018	44.6
220.15343	2.9
230.39429	0.8
261.16052	8.2
263.14032	3.1
305.15051	100.0
306.15414	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
59.01362	0.5
66.87221	0.4
70.02641	0.4
70.51019	1.6
71.01369	0.4
123.21967	0.4
141.09203	0.4
143.71402	0.4
153.15257	0.4
164.37196	0.4
305.24841	100.0
306.25180	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	306.9757
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18280	0.5
59.01380	1.5
61.98830	100.0
62.98523	1.2
63.99249	1.2
69.49554	4.0
74.52335	0.6
96.96030	2.5
98.19927	1.2
108.95603	0.5
114.71865	0.5
119.40892	0.6
129.34325	0.4
134.96112	2.0
136.94009	5.4
142.04910	0.5
151.92731	0.9
161.99008	1.9
162.99036	1.9
163.98706	3.4
164.96400	44.5
165.96483	2.4
178.95081	6.2
205.00137	0.8
206.97453	18.7
207.97575	1.2
247.87206	0.7
264.96457	0.5
276.86725	0.9
278.95203	1.2
306.94504	0.9
306.97644	11.8
307.00293	2.9
307.97711	1.5
316.84634	0.8
317.81207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.01564	1.0
57.03452	1.4
58.00597	1.4
59.01380	26.3
61.98816	2.0
68.87785	0.9
68.98743	1.0
68.99841	1.9
69.03448	2.3
69.60957	6.3
71.01385	31.8
72.99320	5.6
73.02933	7.6
75.00891	2.2
81.03476	2.5
83.01379	5.6
83.05039	1.2
84.88187	0.9
85.02936	10.2
85.30772	0.9
87.00879	30.5
89.02444	7.2
93.77607	1.2
95.01410	2.7
96.99347	1.1
97.02965	3.5
98.43044	1.0
98.70705	0.9
99.00880	6.3
99.04508	2.1
101.02448	11.9
111.00888	4.1
111.04518	1.9
112.98806	2.0
113.02452	9.5
113.99596	4.3
114.99554	2.1
115.00369	41.6
115.03958	1.4
123.49879	1.0
125.02381	1.2
127.00401	4.4
127.04010	1.6
129.01936	2.7
129.07033	1.0
131.03468	2.6
135.02975	1.7
139.00383	4.2
142.99854	1.9
143.03499	4.5
143.04521	1.0
144.00638	21.5
145.01408	3.3
145.05014	2.3
153.01964	1.3
157.01402	3.3
159.03020	2.2
161.04550	15.1
165.28094	1.1
169.01357	1.8
172.18275	1.0
173.00940	1.0
173.04570	1.1
174.01720	4.2
175.02457	3.4
187.02467	7.3
189.04060	3.0
247.04610	2.9
274.88000	1.4
277.05728	2.5
307.06744	100.0
307.10278	13.5
308.07086	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.6
61.98842	0.3
69.96131	0.9
71.01378	0.5
74.99077	7.6
74.99508	0.4
89.02451	0.2
91.02206	3.2
93.00131	1.7
99.32703	0.3
115.22485	0.2
128.77034	0.2
135.51357	0.2
149.00961	2.7
159.08466	6.9
159.09770	0.4
161.04535	0.6
161.06384	1.7
179.03661	0.4
192.98138	1.0
206.99727	1.7
209.01259	2.5
210.01334	0.4
217.07220	1.0
223.02834	49.0
224.02896	4.8
225.00784	0.3
241.03833	0.7
264.41348	0.2
275.05923	0.5
277.61548	0.3
289.07571	1.4
291.09100	100.0
292.09219	12.5
307.12366	2.8
307.18994	0.3
308.12354	0.4
309.10138	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13536	0.4
59.01375	1.1
59.96738	0.5
69.27254	3.5
70.88581	0.3
71.01379	0.7
74.92877	0.3
74.99072	8.2
75.45557	0.4
91.02222	3.0
93.00124	2.0
131.38483	0.3
143.05399	0.8
149.00937	3.0
159.08473	6.7
161.06400	2.0
179.03561	0.5
192.98143	1.0
206.99747	1.9
209.01219	3.0
217.07152	0.8
223.02837	50.2
224.02835	3.8
253.30142	0.4
265.22531	0.4
275.05966	0.6
289.07574	2.2
291.09109	100.0
292.09204	11.0
307.12503	2.2
309.09827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01874	1.7
57.03449	3.6
57.52344	0.7
58.00586	1.7
59.01381	49.5
61.04492	0.8
69.03461	0.8
70.68837	1.2
70.69171	1.6
71.01382	28.0
72.99302	2.3
73.02953	4.9
83.01392	3.9
84.02165	0.9
85.02953	30.5
85.06590	2.7
87.00858	1.1
89.02447	22.7
95.01390	1.8
95.10191	0.8
99.00900	2.3
99.08158	24.6
101.02450	20.2
113.02458	13.0
117.03465	3.0
119.03505	6.5
127.07649	4.8
129.01936	1.0
129.09253	2.0
131.03531	0.7
133.73119	0.8
135.04507	1.5
141.09216	2.0
143.03494	1.5
145.02943	13.4
145.08707	75.6
146.09052	2.0
161.04570	5.2
179.03506	1.2
187.09804	2.4
204.96982	0.9
209.00999	0.7
266.35190	0.9
280.80933	0.9
307.13983	100.0
308.14423	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	307.1914
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03439	18.0
59.01381	21.8
66.16382	2.5
69.03439	5.4
70.41315	9.1
71.01385	22.5
73.02937	4.0
76.11189	2.8
80.02674	3.9
81.03479	2.9
83.05026	7.1
85.02947	7.0
85.99596	2.6
89.02447	4.0
92.52346	2.6
95.05026	6.7
96.96011	10.0
97.06596	21.9
101.02447	5.2
103.03973	3.6
107.08595	3.4
109.06583	6.8
111.08191	13.3
119.04941	3.3
121.06579	3.6
123.04558	5.1
125.09725	8.9
127.11314	3.3
135.04495	4.5
135.08144	6.0
137.09691	3.7
141.21205	2.8
145.02908	3.3
149.09724	3.8
151.11304	25.6
153.09192	7.9
155.10777	11.5
161.04590	4.5
163.11284	7.1
165.12865	33.2
167.10768	9.1
169.12312	4.8
171.10297	4.9
177.09074	3.5
177.12840	5.9
179.03516	3.9
179.10774	11.5
181.12346	35.0
182.12587	3.8
191.10736	12.4
191.14368	8.1
195.10313	3.9
197.11832	5.0
205.12325	4.4
209.09888	5.1
209.11823	61.0
210.12126	4.1
211.13393	8.7
212.88141	2.9
239.09308	3.0
245.19061	47.2
261.18454	3.6
263.20096	11.5
271.17050	5.8
279.19617	5.2
289.18100	67.3
290.18448	4.7
307.10260	8.1
307.15677	7.0
307.19122	100.0
308.19376	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	307.1915
Annotation	Albocycline
Peak:m/z	Relative Intensity
50.72904	4.6
57.03440	10.5
59.01382	33.5
61.98831	7.0
63.03168	4.3
69.05980	4.6
71.01385	23.5
71.05006	8.0
71.55055	6.0
73.02937	13.3
73.32796	4.7
79.95715	7.0
80.01682	4.7
80.02689	5.9
80.71788	5.4
81.03444	8.1
83.05008	13.7
84.02178	9.7
85.02937	14.7
85.06616	5.3
87.00858	5.3
89.02460	6.0
93.03483	5.8
95.05020	47.2
96.95999	11.3
97.02962	5.2
97.06597	9.3
101.02477	7.5
109.06616	22.7
111.04505	11.3
111.08192	13.4
113.02459	7.4
113.06099	63.9
113.09709	13.5
121.06607	6.4
127.07633	5.2
135.04477	9.3
145.02957	5.7
149.09662	11.4
151.11259	19.7
161.04530	20.9
170.15492	10.7
171.15826	11.5
179.03531	10.7
192.55348	5.0
193.08690	8.0
193.12344	5.6
195.13913	9.6
209.11801	33.1
211.13312	14.5
233.15393	19.3
245.19104	13.5
265.18045	8.0
279.08115	5.8
289.18082	100.0
290.18427	7.9
306.53201	5.1
307.07367	6.1
307.10312	17.4
307.15967	4.9
307.19083	77.4
308.19189	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.54370	1.3
53.51230	1.3
57.03438	1.9
59.01387	9.5
63.97599	1.2
65.48697	1.4
71.01383	5.0
71.05023	5.9
71.56143	2.4
81.03443	2.1
83.05025	1.6
85.02946	2.7
95.05064	2.2
96.96012	2.5
99.99548	1.5
101.02454	2.3
109.06593	12.8
111.04529	6.4
121.02891	1.5
123.08119	1.5
127.07588	3.6
135.04460	1.7
145.06602	1.8
149.09743	2.1
161.04526	4.6
167.10773	3.0
179.03505	2.7
179.10741	2.0
191.14433	1.4
195.13890	3.0
212.08354	2.1
227.10699	4.9
235.13446	1.9
245.19087	4.8
271.16980	1.8
287.16617	1.9
289.18088	100.0
290.18381	11.4
292.07428	2.8
307.06271	6.0
307.10181	3.8
307.15884	2.9
307.19116	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	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01387	1.0
61.98824	0.4
69.51946	0.3
69.96593	1.7
89.65984	0.3
106.54787	0.3
135.04501	0.8
136.24052	0.4
161.04594	0.5
179.03549	1.1
282.97598	0.4
307.22787	100.0
308.23135	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	307.2642
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
59.01358	0.6
59.65672	0.4
67.45991	0.4
69.47573	2.9
69.47971	1.1
75.73159	0.4
127.98540	0.4
135.04529	3.3
179.03458	2.7
201.14893	0.4
213.52222	0.4
307.26413	100.0
308.26758	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	309.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	8.7
59.01383	1.6
59.61820	1.0
63.93127	1.3
64.02271	1.1
69.22625	12.3
71.01376	1.6
73.02934	3.5
75.00864	2.0
78.49234	1.2
83.01389	25.4
85.02960	3.4
85.58656	1.2
99.00885	2.1
101.02446	100.0
102.02799	2.6
119.05027	35.5
120.05359	1.3
145.01424	22.1
163.02490	45.6
163.04007	29.3
164.02827	1.4
164.04250	2.1
191.05415	1.0
309.09689	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	309.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.4
59.01385	9.4
67.39333	1.1
69.15366	1.1
71.01376	11.7
73.02540	1.4
79.42034	1.1
85.02945	1.3
87.00886	11.8
90.86569	1.4
95.10673	1.3
99.00858	3.6
105.34406	1.2
108.55412	1.1
108.92790	1.4
115.00382	46.9
116.00697	1.5
117.01921	5.5
126.69513	1.3
139.07620	2.2
151.07645	2.2
155.07135	2.5
173.08237	2.2
175.02478	100.0
176.02771	3.4
211.09700	2.6
213.07690	8.3
273.09842	8.0
281.04520	1.5
309.04034	3.5
309.07581	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
54.38358	1.4
55.01876	2.5
59.01380	100.0
59.48179	1.3
62.69425	1.4
69.84177	4.9
69.84595	2.9
71.01385	26.8
71.05008	2.4
72.99300	1.9
73.02939	5.0
83.01377	3.7
85.02496	1.5
85.02940	8.6
87.00871	2.6
89.02448	17.1
94.38564	1.4
95.01389	2.5
99.00869	2.9
99.04510	4.1
101.02436	18.8
101.06055	3.5
108.93765	4.7
113.02441	9.6
119.03521	8.0
119.05070	2.3
127.05096	1.7
129.05577	12.2
136.93269	3.7
147.06625	22.1
159.06544	2.6
161.04555	12.4
163.04060	1.6
166.92091	2.1
175.02443	1.9
180.06679	5.3
244.73712	1.5
248.94978	3.3
249.09741	7.5
251.52742	1.5
291.09836	2.4
309.11899	75.5
310.12234	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	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03432	4.3
59.01381	13.1
69.03465	3.7
69.32117	10.2
69.32547	13.0
71.05035	3.1
79.95745	7.9
80.02681	18.2
81.03468	8.3
83.05027	36.5
84.02185	14.4
93.95138	2.4
96.95985	2.9
97.06576	5.0
99.00895	3.8
99.08174	9.4
99.56604	2.3
102.79475	2.6
109.06552	4.2
115.07678	4.4
119.08632	2.6
125.09729	8.7
127.11301	8.4
135.08162	4.2
137.09717	70.7
139.11279	15.6
151.03993	8.4
151.07677	20.9
151.11296	4.6
152.08492	12.5
153.09196	10.2
155.10782	63.7
157.75758	2.9
171.10262	70.2
172.10565	4.0
193.12312	33.5
194.12662	3.9
209.11923	4.6
209.15486	28.8
211.13371	10.6
225.05849	3.4
226.75658	2.4
234.12578	3.2
247.20662	8.8
252.09924	4.8
263.20172	6.6
265.18164	7.8
265.21609	4.4
281.21124	3.3
291.19678	100.0
292.20081	8.6
309.16977	33.0
309.20651	92.1
310.17584	5.3
310.21033	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03454	1.2
58.00594	1.2
59.01373	2.7
69.03461	1.7
70.41437	2.9
73.02925	0.9
83.05014	1.2
93.07104	0.9
99.00883	0.8
109.06584	1.1
111.08159	32.3
112.08518	1.2
119.08691	1.6
127.07600	2.0
137.09717	2.5
151.04004	2.2
151.07628	3.4
151.11328	1.6
152.08463	4.6
153.09172	1.1
153.12842	1.1
167.10742	1.2
169.12337	8.1
171.10248	6.2
179.10733	1.4
181.12314	2.7
183.13896	2.0
185.11893	1.9
197.11827	100.0
198.12154	6.9
199.13377	4.1
209.15486	6.9
211.13390	13.3
212.13667	1.1
225.14963	5.3
227.12898	1.8
247.20764	1.6
252.10146	1.3
263.20239	5.8
265.18124	2.8
273.18677	2.2
291.19653	26.5
292.19873	1.6
309.17114	9.9
309.20715	38.5
310.17706	1.5
310.21024	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29814	1.4
57.03419	1.5
59.01370	4.6
63.00849	1.5
63.78529	1.3
64.33069	1.3
69.03451	2.0
69.80543	8.5
71.01375	2.1
71.04990	2.3
73.02969	1.6
80.02681	8.7
81.03444	5.3
83.05034	27.0
84.02155	12.4
84.05354	1.3
97.06542	2.4
99.00892	2.0
99.08176	9.8
109.06568	3.5
113.09716	1.8
115.07638	5.9
117.19218	1.5
118.51662	1.4
123.04514	3.4
123.08176	1.8
125.09703	3.0
127.11261	6.0
137.09717	48.6
139.11266	5.8
139.29610	1.4
149.09709	1.4
151.03993	2.7
151.07605	5.6
151.11235	3.1
152.08409	6.4
153.09235	8.0
155.10777	49.3
165.12724	2.5
167.10745	4.5
169.12285	1.7
171.10271	52.2
172.10452	2.8
183.10251	1.5
193.12329	28.3
194.12802	2.0
195.13835	2.1
209.02805	2.6
209.11856	9.1
209.15370	7.5
211.13351	5.0
247.20706	8.3
252.09958	2.5
263.20023	4.4
265.18130	1.9
265.21622	7.4
273.18555	2.0
281.21310	1.5
291.19653	98.3
292.20078	9.4
309.14545	14.6
309.17172	9.5
309.20615	100.0
310.15106	1.5
310.20886	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
59.01362	3.3
69.03437	1.7
71.01355	1.5
71.05000	1.2
71.44962	1.3
75.86714	1.0
80.02670	1.3
81.03442	2.8
81.78195	1.0
83.01384	9.4
83.05026	5.1
84.01626	1.2
96.95963	2.1
97.02925	2.2
97.06563	3.2
99.00870	1.1
99.53885	0.9
123.04466	3.9
123.08119	3.7
125.06069	1.4
125.08887	1.4
125.09702	10.3
127.11288	1.5
135.08118	1.3
137.09676	2.8
139.11298	12.0
141.09247	1.5
149.09534	1.0
151.03969	1.3
151.07558	3.1
151.11227	1.7
152.08324	2.4
162.10414	1.8
163.11269	6.1
165.11549	1.6
165.12833	17.1
167.10777	5.7
171.10210	3.0
181.12383	4.9
183.13876	1.4
185.11781	2.4
185.90892	1.1
189.12843	1.1
191.10695	3.7
193.12152	1.3
193.15984	5.5
207.10266	1.2
209.11829	49.8
209.15160	7.5
210.12022	4.7
211.13428	2.5
247.18575	1.2
247.20685	15.5
248.20879	1.2
250.80202	1.2
258.35867	1.0
265.17892	1.2
265.21652	3.3
273.18478	4.6
281.21115	1.9
291.19650	100.0
292.20059	9.4
309.14651	9.8
309.20547	33.3
310.20886	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	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02442	4.0
57.03444	18.8
59.01377	17.2
59.93780	3.5
66.73181	3.3
69.03436	5.1
69.53408	3.4
71.01381	14.4
73.02983	3.6
80.02697	5.4
81.03475	3.3
82.36922	3.3
82.43964	3.8
83.05023	8.4
85.02943	3.7
95.05033	4.1
96.96008	7.7
97.06590	10.0
99.00851	6.5
111.08144	13.2
113.09718	13.6
123.08161	4.5
125.09733	4.3
129.09251	3.4
137.09735	5.9
151.04005	13.5
151.07657	26.9
151.11272	49.9
152.08461	20.5
153.12807	6.6
155.10782	6.6
163.11238	6.3
165.12834	56.4
167.10774	6.2
171.10275	6.6
179.10788	11.3
181.12338	45.3
184.07454	4.6
185.11794	5.2
191.10818	22.0
195.10289	5.9
197.11722	6.2
209.02672	4.8
209.11842	100.0
209.15425	40.9
210.12109	6.9
211.13336	9.8
247.20610	12.0
252.09981	8.1
263.20258	5.9
265.17972	7.7
265.21759	10.0
281.21204	5.0
291.19650	37.4
309.15091	35.1
309.17123	44.2
309.20715	56.1
310.17361	5.7
310.20898	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
51.29561	1.6
51.56709	1.6
51.69309	1.7
54.46687	1.6
57.03445	2.2
59.01382	6.4
61.60741	1.6
62.16043	1.7
67.01885	1.9
69.82446	7.2
71.01391	1.7
71.05000	1.8
80.96465	1.7
92.95515	1.7
93.03509	2.2
95.05063	2.1
96.96007	3.9
98.20528	3.7
107.62583	1.6
108.28031	1.8
111.08200	2.9
121.10236	9.2
125.09737	6.1
137.09712	6.2
167.14362	2.3
171.10245	14.7
185.11824	11.9
197.11882	5.1
209.15549	3.5
211.11447	3.8
211.13390	55.2
212.13768	3.0
247.20601	2.1
251.16483	4.3
291.19653	100.0
292.19937	12.0
298.83664	1.9
309.17224	4.0
309.20746	15.9
310.20956	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	309.2073
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
51.00518	0.4
57.03441	0.8
59.01377	2.8
69.03426	0.6
70.29362	1.6
73.02984	0.5
77.53005	0.5
81.03466	0.6
83.05024	0.6
95.04999	0.5
97.06615	2.1
99.00904	0.7
99.04456	0.5
111.08102	1.2
113.09715	3.4
115.07665	2.7
123.04581	0.5
125.06062	1.2
126.06883	0.9
139.11292	1.1
141.09247	2.4
151.03957	1.7
151.07628	2.6
151.11261	0.6
152.08467	2.6
165.12840	4.2
167.10780	1.0
167.14366	1.8
176.77576	0.6
177.09253	0.5
179.14362	0.6
180.93394	0.5
181.12338	4.8
183.13889	1.6
184.07396	0.7
193.12326	2.3
193.15924	0.9
195.13881	3.1
197.11743	0.8
198.62224	0.5
209.15448	3.4
210.15764	0.7
211.13400	5.3
213.14973	1.0
221.12032	0.5
221.15456	1.6
237.22070	0.5
239.12959	1.0
240.13631	2.9
241.14415	0.8
247.20659	4.4
252.10078	0.8
265.21701	0.7
273.18619	3.0
281.21292	1.5
291.19662	49.2
292.19986	4.4
309.17343	5.1
309.20697	100.0
310.17731	0.7
310.21066	9.2
328.99426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.5
59.01365	3.3
62.85974	1.2
69.03451	1.9
71.05026	1.6
83.05009	1.7
97.02959	7.1
99.00866	2.7
109.06567	1.7
111.08168	34.0
125.09755	2.8
127.07613	2.4
137.09685	2.2
151.03960	2.0
151.07625	4.4
151.11116	1.8
152.08377	4.0
153.09248	1.6
153.12854	2.1
163.11322	2.1
165.12823	2.1
169.12294	5.9
171.10262	6.2
181.12305	3.7
193.12321	2.2
197.11827	100.0
198.12123	5.8
199.13356	4.7
209.11693	1.7
209.15468	16.7
211.13368	11.0
223.16974	3.4
227.12875	5.6
233.15556	2.1
247.20663	4.4
251.16382	4.0
263.20084	6.7
265.18066	4.2
273.18488	4.5
291.19656	51.6
292.20001	5.5
309.10886	1.5
309.17017	11.6
309.20667	52.2
310.17419	1.4
310.20963	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
52.73413	5.3
57.03441	22.6
59.01369	24.0
61.98822	9.1
69.03431	6.9
69.22028	65.1
71.01379	18.2
78.46677	5.7
80.42314	5.4
83.05035	7.7
83.17058	6.3
94.37231	7.6
96.96008	12.9
97.06591	9.6
98.19861	14.9
99.00888	11.5
100.87415	6.5
104.28387	6.6
111.00780	6.4
113.09733	14.9
116.03027	6.9
125.09736	11.9
137.09682	6.5
139.11250	7.5
151.04001	22.4
151.07646	44.2
151.11282	54.1
152.08455	37.7
155.10786	7.8
165.12851	52.9
171.10220	20.7
179.10806	10.2
181.12344	47.0
185.11800	18.2
191.10703	21.4
194.47681	7.4
209.11838	100.0
209.15413	68.9
211.13412	14.5
247.20651	19.4
252.10014	12.4
263.20056	14.8
265.18002	18.0
273.97961	7.4
281.21228	14.3
291.19699	50.1
309.15115	43.3
309.17078	92.5
309.20752	53.1
309.24078	12.7
310.15179	8.6
310.21100	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	310.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01701	1.9
61.98833	2.0
63.64825	1.0
69.80814	1.8
69.81231	3.5
71.01378	4.0
73.02962	1.1
75.41286	0.9
85.02949	2.0
88.32050	1.0
89.02446	1.8
98.20636	1.5
101.02463	3.3
111.41402	1.0
113.02493	1.3
119.04990	1.7
127.67561	1.0
132.41556	1.0
134.04720	6.7
144.89668	1.1
161.04584	2.3
163.04077	1.5
168.83466	1.3
195.28497	0.9
208.60265	1.1
228.85925	1.0
250.09435	4.0
251.11340	3.0
294.51117	1.1
310.12238	2.9
322.35239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01148	0.5
59.01379	5.2
59.61618	0.5
71.01366	2.6
71.55943	0.7
73.02940	3.2
75.00879	1.3
85.02979	1.4
87.00880	4.0
89.02440	0.8
93.03469	1.8
97.02940	0.6
99.00883	0.9
101.02431	1.6
103.04044	0.6
105.01949	2.3
108.02221	0.5
108.62474	0.5
109.03000	0.8
110.72563	0.5
113.02436	0.9
119.05030	62.0
120.05373	2.3
122.06055	0.5
123.04541	1.3
124.69855	0.5
125.02435	1.0
129.01997	0.5
133.02959	0.7
134.03851	0.5
135.04556	1.2
136.59976	0.5
137.02441	1.2
147.02980	1.3
149.04570	2.9
149.06099	0.7
159.71870	0.5
161.02467	0.6
163.04018	100.0
164.04338	3.8
165.04054	16.3
165.05473	1.0
167.03482	2.7
177.01933	0.8
177.05524	0.9
179.03529	1.5
191.03505	1.4
193.05122	0.9
197.04523	0.7
205.01317	0.6
209.04584	0.7
221.04439	0.6
239.05649	2.4
251.05457	1.3
253.05072	0.8
267.06424	0.6
267.12595	0.7
278.09811	0.6
293.06888	0.5
311.07739	7.1
311.11298	1.8
312.11227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01374	4.5
66.36278	0.4
71.01379	2.0
72.99302	2.3
73.02945	0.6
75.00870	34.9
85.02951	2.9
85.43080	0.5
87.00887	2.5
89.02475	0.5
96.95995	0.5
99.00877	3.3
101.02475	0.7
117.03433	0.5
119.05022	37.1
120.05380	1.5
129.01942	11.0
145.02945	1.0
147.02989	8.4
149.02454	0.8
149.04495	0.7
163.04002	55.2
164.04332	2.9
165.04031	100.0
166.04379	2.6
172.84254	0.5
178.18214	0.5
186.90581	0.5
268.22055	0.4
311.07687	6.3
311.11426	2.0
311.14859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0927
Annotation	CHEMBL1945702
Peak:m/z	Relative Intensity
51.10092	0.8
59.01453	1.6
90.40476	0.7
96.52466	0.8
98.19901	2.6
136.01782	1.5
145.03082	2.2
149.02533	1.0
151.04022	4.1
154.37784	0.7
165.07245	1.2
168.74533	0.8
169.06656	1.6
177.02087	2.2
180.05911	2.2
181.06619	4.0
182.04004	0.7
182.59125	0.7
190.99985	1.2
192.00818	0.9
193.06688	1.6
196.05318	1.3
197.06055	6.8
205.01547	1.6
208.05333	2.7
209.06070	12.1
209.07732	0.9
210.06488	0.9
211.04152	2.2
224.04860	3.1
225.05525	16.2
226.05981	1.3
229.17281	0.8
236.04681	3.6
237.05547	11.5
238.06264	2.5
240.07904	5.7
252.04381	3.2
253.05055	90.1
254.05420	8.4
263.03583	0.8
264.04370	3.2
265.05057	36.7
266.05716	11.7
267.06522	2.8
268.07361	9.8
279.06537	5.0
280.04242	1.0
280.07367	31.4
281.04562	100.0
281.07883	8.3
282.04926	8.7
282.07861	1.1
295.06097	15.9
296.06873	61.3
297.07248	6.7
311.05722	2.8
311.09204	57.6
312.09595	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.9
59.01380	100.0
60.01725	1.6
71.01387	8.1
71.56290	0.6
73.02954	2.6
83.01409	1.9
85.02954	3.7
87.00861	1.2
93.03486	0.6
95.01392	0.7
97.02999	0.9
99.00856	1.5
101.02448	4.5
101.59286	0.6
107.01436	1.3
113.02431	3.2
115.00403	2.6
119.05042	1.0
123.08199	0.8
125.02463	1.1
127.45438	0.6
135.30141	0.6
135.67819	0.7
140.78017	0.6
151.07716	0.7
153.25659	0.6
159.03059	0.9
161.04576	4.0
164.27101	0.6
166.02727	2.9
175.02467	5.8
191.03502	1.8
193.05025	0.7
213.07675	0.8
233.04623	0.8
269.10419	3.3
311.05258	0.9
311.11197	0.9
311.29965	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01712	2.0
61.98829	2.5
62.75952	1.0
68.22783	1.2
71.01398	4.9
71.55159	1.6
73.02936	1.1
83.01389	1.2
85.02959	1.6
87.00889	1.3
87.89020	0.9
89.02452	1.7
93.03457	3.5
101.02451	4.1
119.05056	3.5
129.60320	1.0
137.02457	7.9
149.02637	1.0
149.06081	1.1
161.04584	2.0
163.04039	4.2
189.05524	1.4
191.05643	3.8
202.15359	1.0
251.11385	2.9
270.99954	1.0
311.07761	2.1
311.12228	1.1
311.29404	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
56.85497	0.8
57.03431	0.9
58.79837	0.8
59.01378	100.0
60.01712	1.2
61.01806	1.1
61.98826	5.5
71.01379	12.6
71.19496	1.1
71.55051	1.4
73.02962	3.4
75.00887	1.3
78.95914	1.1
83.01408	1.5
85.02959	5.8
86.62276	0.8
87.00874	2.1
89.02433	5.3
93.03470	1.7
95.01373	1.0
99.00843	1.0
101.02441	10.6
107.64362	0.9
109.02884	1.1
110.93461	3.4
111.00868	1.3
113.02448	7.7
119.03516	1.3
119.05021	2.0
122.06123	1.0
122.89389	1.0
126.90374	4.2
132.93039	1.0
134.60660	0.9
135.04576	1.1
137.02451	1.4
138.92946	3.2
149.06053	0.9
150.05598	3.4
152.93677	2.6
159.03055	1.6
161.04570	9.0
163.04008	3.7
166.92090	0.9
168.91547	4.2
169.89467	1.3
175.02461	2.1
177.95874	1.3
178.97844	1.2
179.95726	1.3
179.97462	1.5
189.05612	1.9
190.75351	1.0
191.05663	4.3
206.94141	0.9
250.94585	2.3
251.11375	17.7
252.11627	1.3
275.04745	1.9
311.09720	2.5
311.12817	5.3
312.10883	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	311.1864
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
59.01332	0.8
64.93032	0.4
70.41887	0.4
71.04955	0.5
85.51621	0.4
97.06498	0.7
121.02870	1.8
122.03683	1.0
126.03171	0.7
136.05238	0.7
138.90741	0.5
158.31105	0.5
167.14372	2.2
193.15923	0.6
202.14130	0.5
207.17484	0.6
223.20656	2.1
249.18579	4.8
267.19644	100.0
268.19989	8.9
275.16516	6.2
290.66537	0.6
293.17599	33.7
294.17776	2.6
296.03705	0.5
311.18686	28.8
311.22174	2.6
312.19022	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	311.2017
Annotation	Longithorone K
Peak:m/z	Relative Intensity
54.52065	0.3
59.01374	0.5
79.95757	1.3
83.95346	0.3
98.95596	1.2
119.05000	0.5
126.33208	0.3
128.57973	0.4
133.06610	2.4
149.09720	100.0
150.10056	4.5
170.00427	0.5
179.86797	0.3
183.01202	33.4
184.01979	7.7
197.02776	1.4
216.00945	2.9
239.07425	0.8
311.16870	68.8
311.20230	50.6
312.17181	7.0
312.20566	6.2
319.81137	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.82414	1.0
53.57338	1.1
57.03446	2.7
59.01371	5.2
70.46304	4.1
97.06594	5.8
98.20020	1.9
99.08155	3.7
100.85320	1.3
111.08140	1.5
113.09720	3.3
117.20300	1.1
121.10189	1.2
129.09198	3.3
137.06090	3.1
139.11259	4.4
143.07144	12.8
144.31709	1.1
147.04503	1.6
152.51761	1.2
155.07185	2.7
155.10774	1.9
167.14430	3.6
171.10266	12.3
173.08170	9.0
177.12816	1.4
181.12257	2.4
183.01219	1.7
183.10251	2.0
183.13925	2.6
185.11754	2.0
193.12329	4.4
195.13875	1.4
197.11806	3.3
199.13484	1.9
199.30876	1.1
211.13414	12.2
249.22237	2.1
275.20157	4.1
293.21240	36.9
294.21576	3.6
311.22275	100.0
312.22653	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.33101	0.8
57.03440	1.9
59.01379	7.9
69.03477	0.9
69.20042	2.7
69.20458	6.6
86.97636	0.9
99.08138	1.5
113.09721	2.0
114.80260	0.9
121.10200	0.9
123.08147	1.4
125.09722	2.5
127.11306	2.0
129.09213	3.2
137.09691	1.0
139.11290	8.6
153.12863	1.2
155.10776	2.7
163.11339	1.0
167.10725	1.2
168.11418	1.0
168.77519	0.8
169.12177	1.3
171.10278	30.2
172.10652	0.9
181.12323	2.2
183.01266	2.4
183.10249	1.8
185.11870	4.3
193.12341	1.5
197.11807	2.4
199.13422	1.0
201.11371	2.8
211.13437	6.9
213.14969	1.0
227.03220	0.9
249.22238	1.6
253.05167	0.9
275.20212	4.5
293.17889	1.8
293.21249	33.5
294.21692	3.2
311.05453	1.2
311.17288	5.8
311.22275	100.0
312.22598	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	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.93752	0.6
54.21423	0.6
57.03447	2.3
59.01380	2.7
61.27726	0.7
70.56339	1.4
78.48055	0.6
97.06587	0.9
99.08144	2.0
113.09717	2.9
121.10192	1.1
125.09736	1.0
127.07614	0.7
127.11308	1.0
129.09200	5.1
139.11273	2.7
155.10764	1.3
169.12302	2.1
171.10278	14.3
172.10738	1.0
181.12360	4.3
183.01230	1.4
183.13928	2.0
185.11839	2.3
193.12335	2.6
197.11824	8.2
199.13312	4.1
211.13374	15.0
212.13745	1.7
223.20694	2.0
265.21512	1.0
267.19525	0.7
275.20193	2.4
293.21249	20.3
294.21539	1.3
311.22272	100.0
312.22650	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03434	2.0
57.71640	0.6
58.00586	0.6
59.01391	3.8
59.24973	0.6
61.18177	0.7
67.46664	0.5
69.03429	0.6
70.93365	1.1
81.37679	0.6
82.09492	0.6
83.05048	1.3
97.06561	0.7
99.08154	3.3
113.09740	3.0
121.10255	0.7
125.09690	1.0
127.07648	0.7
127.11295	2.6
129.09216	7.5
139.11302	5.6
151.11325	1.3
153.12823	1.0
155.10779	2.0
164.11833	0.7
165.12830	0.9
167.10771	0.7
169.12378	2.4
171.10278	21.4
172.10628	1.5
181.12317	4.8
183.10248	2.0
183.13937	2.6
185.11800	3.9
193.12349	1.5
197.11845	10.0
198.12048	0.9
199.13402	4.7
201.11322	4.3
211.13370	17.8
212.13750	1.5
275.20300	2.8
293.17953	1.1
293.21219	18.8
294.21539	2.1
304.90500	0.6
311.16559	2.9
311.22281	100.0
312.17151	0.7
312.22647	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.76549	0.5
54.47569	0.4
54.94611	0.4
59.01366	2.2
63.44742	0.5
69.29668	0.5
70.70146	1.6
97.54224	0.6
99.08127	0.6
113.09751	1.1
115.07675	1.0
119.05022	0.7
127.07654	0.9
128.08459	0.7
132.56429	0.5
167.14456	3.6
183.01170	1.0
183.13930	2.1
195.13902	11.2
196.14241	1.0
211.13364	1.4
213.14963	1.7
241.14468	0.6
242.15326	0.9
249.22243	1.0
265.21695	0.8
275.19876	0.6
293.21216	8.3
294.21509	1.3
311.16580	3.6
311.22278	100.0
312.22580	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	311.2228
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.03186	0.3
53.86779	0.4
57.03451	1.0
59.01389	2.1
71.01385	0.4
71.05023	0.3
79.95719	0.8
83.05052	0.4
85.02962	0.3
93.03471	0.5
95.01312	0.3
95.59550	0.4
97.06587	1.0
109.04124	0.3
123.08159	0.8
125.09716	4.0
127.11299	0.4
139.11259	1.5
141.09258	1.9
141.12828	1.0
143.10783	0.5
151.07562	0.4
153.09198	1.8
155.14388	2.0
157.12317	1.1
167.10741	0.6
169.12360	0.5
170.57988	0.4
171.10249	2.4
181.16028	0.7
183.01208	1.8
183.13881	0.7
185.11821	0.8
197.02792	3.1
199.09732	0.8
200.10550	2.1
201.11052	0.4
239.23857	0.4
247.17033	0.9
249.22237	2.5
265.21671	1.4
267.23300	1.3
275.20105	0.9
281.04727	0.3
283.22815	0.6
293.21240	8.6
294.21469	0.8
311.13181	7.5
311.16714	10.3
311.22275	100.0
312.06354	0.7
312.13812	0.6
312.17126	1.0
312.22601	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	313.0719
Annotation	3'-Formyl-2',4',6',beta-tetrahydroxy-5'-methylchalcone
Peak:m/z	Relative Intensity
52.40514	0.1
52.72899	0.1
54.65881	0.1
55.01887	0.4
59.01394	0.2
63.02409	0.2
65.00323	7.2
65.03958	0.1
66.00672	0.2
67.01904	0.7
68.99821	1.8
69.03455	2.7
71.01395	0.3
71.56678	0.2
71.57039	0.1
75.02389	0.1
77.03967	1.2
79.01895	3.7
80.02248	0.2
80.72902	0.1
81.03461	5.6
83.01385	5.2
84.01729	0.1
85.02966	0.3
86.16674	0.1
86.93956	0.1
91.05537	0.2
93.03459	8.3
94.03807	0.2
94.18630	0.1
95.01382	1.6
95.05017	1.0
97.02950	8.5
98.03281	0.2
99.04527	0.5
101.02423	0.1
105.02850	0.1
105.03460	3.2
107.01390	6.5
107.05035	0.5
108.02205	0.3
108.99304	0.1
109.02965	0.9
113.02464	0.1
115.05476	0.2
117.03461	1.9
119.05028	60.8
120.05356	2.6
121.02958	11.7
122.03210	0.1
122.03823	0.2
122.99979	0.2
123.00881	4.1
123.03725	0.2
123.04532	1.8
124.01154	0.2
125.02448	24.4
126.02798	0.9
131.01392	0.1
133.02968	0.6
135.00903	0.4
135.04509	1.4
136.01654	0.2
137.02441	5.3
139.04013	0.5
141.01974	0.3
143.05022	5.6
144.05331	0.3
145.02953	5.6
146.03288	0.3
147.00845	0.2
147.04532	0.8
148.01675	0.2
148.04971	0.1
149.02443	9.5
150.02986	0.5
151.00363	1.7
151.04008	0.8
156.05788	0.9
157.06609	0.8
159.04515	0.4
160.05327	0.2
161.02441	0.3
161.06064	2.9
162.06384	0.2
163.00366	1.4
163.04012	1.8
164.01160	1.6
165.01929	13.1
166.02365	0.6
167.03496	4.8
168.03857	0.2
169.06555	0.4
171.04475	0.2
171.08122	0.5
173.06134	0.3
175.00362	0.3
175.03932	0.2
177.01881	0.3
178.02791	0.1
179.03502	2.8
179.05116	0.1
181.06651	0.3
182.07381	0.5
183.03012	0.1
183.04471	0.2
183.08127	0.4
184.05336	0.3
185.06068	2.9
186.06404	0.2
187.04005	6.4
188.04430	0.4
189.05571	0.2
190.99866	0.9
191.03500	2.2
192.03848	0.2
193.01411	41.8
194.01770	1.9
195.08115	0.2
196.09053	0.1
197.06084	0.9
197.09718	0.2
198.06946	0.6
199.07632	1.9
201.05605	0.1
201.09309	0.1
203.07101	0.5
207.03000	3.4
208.03304	0.3
209.06097	0.2
211.02483	0.3
211.07680	0.3
213.09203	0.4
219.02977	3.2
223.07629	0.4
225.05592	0.6
225.09126	0.2
226.06389	1.0
227.07144	1.7
229.05035	0.8
232.39276	0.1
239.07114	0.3
240.07886	0.2
241.08664	1.5
243.06586	0.7
244.07059	0.1
245.08127	0.8
251.07065	0.4
267.06689	0.4
269.05008	0.2
269.08167	3.2
270.05368	0.2
270.08502	0.3
271.06192	0.3
285.07336	0.9
295.06097	0.2
313.07162	100.0
314.07507	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	313.0717
Annotation	Sylpin
Peak:m/z	Relative Intensity
54.13416	0.2
59.01377	0.4
63.90768	0.2
69.40522	1.6
77.03960	0.2
93.03472	0.6
108.02173	0.5
121.02963	100.0
122.03297	3.4
131.71632	0.2
180.05832	1.5
181.06601	4.9
193.59113	0.3
209.97952	0.2
225.03433	0.5
225.05560	6.5
225.07776	0.3
226.05777	0.6
269.08160	0.4
313.07187	12.2
313.10611	0.4
314.07455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.6
57.03432	2.3
57.24021	1.2
58.00579	3.6
59.01380	100.0
66.28841	1.2
66.71433	1.2
70.74053	1.3
71.01382	67.3
72.99323	6.9
73.02960	3.8
75.00894	2.1
83.01395	3.6
85.02954	11.7
87.00872	4.0
88.04054	1.7
89.02444	65.8
93.03470	2.3
94.98430	1.2
95.01407	3.9
101.02444	42.5
107.05031	38.8
108.05380	1.7
109.02953	1.4
111.04472	1.3
113.02461	23.7
119.03503	27.4
119.05029	4.3
121.03035	1.5
125.02442	1.9
130.23367	1.7
136.71651	1.5
137.02425	2.6
139.88162	1.5
143.03502	3.8
146.08220	4.8
149.04640	1.9
151.04001	7.8
151.07635	1.5
161.04553	6.2
163.04002	1.9
164.01146	5.6
165.01947	2.2
177.01962	4.6
179.05630	2.6
189.01939	2.2
193.01363	1.8
193.67422	1.4
207.64441	1.4
227.07175	2.5
269.08075	2.6
277.12314	5.6
283.06149	3.3
285.07724	4.8
295.05920	1.6
313.06229	2.1
313.09271	7.7
313.12747	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	313.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.9
57.03439	3.3
58.00574	4.5
59.01377	100.0
59.38627	1.7
70.80177	5.7
71.01382	71.0
72.25213	1.7
72.99310	5.6
73.02936	5.1
75.00859	2.0
81.48616	1.8
83.01401	6.2
85.02960	14.9
87.00899	3.2
89.02444	61.0
93.03442	3.7
94.70563	1.8
95.01397	3.6
96.96027	2.7
97.02960	1.9
99.00861	2.9
101.02439	46.7
107.04288	2.7
107.05029	52.3
108.02175	2.0
109.02923	2.3
113.02445	27.7
119.02666	2.6
119.03495	29.9
119.04958	4.8
125.02480	4.0
133.06511	2.4
137.02467	3.6
143.03473	3.1
146.08267	3.8
151.03992	9.8
159.46059	1.9
161.04561	7.5
163.04115	2.0
164.01125	6.6
165.01843	5.1
177.01926	10.0
185.06142	1.9
212.93497	1.8
222.87192	2.2
227.07159	3.4
239.55922	1.9
269.07999	2.2
277.12253	7.4
283.06027	7.0
285.07666	4.0
313.09290	12.0
313.12692	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	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
59.01377	0.5
59.53600	0.4
60.47469	0.3
71.10140	0.3
71.53934	0.3
95.61675	0.4
98.19826	0.6
121.02969	0.9
125.09691	0.5
127.11270	1.3
139.11273	0.7
155.10776	3.5
157.12378	0.6
165.05573	0.5
171.10262	5.0
230.45647	0.4
267.23224	0.8
277.21643	0.7
295.22775	8.8
296.22903	0.4
311.22290	1.6
313.23837	100.0
314.24176	10.4
315.09955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.27
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
57.89855	0.8
59.01375	2.5
70.02972	1.5
71.34743	1.6
75.00874	0.8
89.07470	0.8
101.47090	0.8
103.07429	0.8
112.61476	0.8
154.39630	0.8
161.02104	0.9
268.26608	1.9
270.24680	1.5
314.27017	100.0
315.27631	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	315.0509
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
55.01885	0.9
57.03511	0.7
59.01366	3.3
59.15735	0.6
63.02400	6.0
65.00319	3.8
69.66433	4.0
71.01382	8.2
72.99338	0.8
73.03002	2.2
75.33176	0.7
83.01386	6.2
85.02956	3.1
89.02489	1.3
95.01440	1.5
99.00926	1.0
101.02455	4.1
107.01389	11.3
108.02232	2.4
113.02460	3.2
120.02191	0.9
123.00923	0.8
124.01720	2.3
125.02419	0.7
129.01997	0.6
135.00940	0.8
136.01675	0.8
148.01663	5.7
149.99666	1.8
151.00360	19.2
152.01128	0.9
152.73491	0.7
159.03101	0.8
161.04631	1.5
163.00412	3.1
164.01164	5.8
169.01457	1.3
172.05322	0.7
183.04538	0.7
216.04297	1.5
226.02753	0.9
227.03404	3.2
228.04147	0.9
243.03040	1.9
251.24326	0.6
255.02969	3.9
271.02481	5.3
272.03146	2.3
283.02502	2.5
285.04022	0.8
299.01926	1.2
300.02753	81.5
301.03128	5.9
315.05087	100.0
316.05441	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	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.01807	0.4
51.34172	0.4
59.04364	0.4
67.89709	0.5
70.75653	1.1
71.01379	2.3
73.02951	0.8
79.86977	0.4
81.03446	0.6
83.01418	0.5
85.02958	2.2
93.87579	0.5
95.01392	1.2
97.28571	0.6
101.02477	0.9
108.02175	100.0
109.02981	27.4
110.03297	0.8
113.02440	1.3
120.57140	0.5
121.02949	1.0
123.04539	1.3
124.56924	0.5
135.04478	0.5
149.13304	0.5
151.04028	1.5
152.01152	64.1
153.01950	20.9
153.05623	0.5
154.02332	1.1
161.04509	0.6
163.03978	0.9
165.01933	1.6
200.68709	0.5
293.96088	0.6
315.07214	67.9
316.07526	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.6
61.98816	2.0
63.54018	1.8
70.85702	4.5
71.01377	6.5
74.02478	1.9
74.48671	1.5
74.91099	1.5
83.01408	3.0
85.02939	2.0
85.94788	1.6
88.04022	3.2
89.02446	2.5
96.00920	2.5
101.02467	1.9
108.02174	100.0
109.02971	40.3
114.01978	3.2
114.62289	1.8
115.00401	2.2
121.02951	1.9
123.04504	5.3
124.40476	1.8
130.08684	2.4
135.04483	3.3
151.04015	2.4
152.01154	62.6
152.02383	3.5
153.01945	36.9
153.05547	7.3
175.02470	2.5
184.95789	1.8
188.18298	1.8
200.14015	6.7
288.60565	1.7
315.07214	83.0
315.16718	11.1
315.19962	4.1
316.07407	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	315.0875
Annotation	dechloro-dehydrogriseofulvin
Peak:m/z	Relative Intensity
55.01874	0.5
57.03448	1.0
59.01379	0.8
63.02449	0.2
65.00329	0.6
67.01891	1.5
68.99815	2.1
69.03459	2.2
69.31184	2.3
70.96214	0.2
71.01376	0.4
71.05022	0.8
79.01891	0.6
79.05544	0.5
80.02665	1.4
81.03458	19.1
82.03804	0.4
83.01386	6.4
85.02950	0.6
93.03454	7.3
95.01391	1.0
95.05033	22.7
96.05360	0.7
97.02955	7.7
99.04520	10.5
100.04876	0.3
105.03480	1.2
106.04243	0.3
107.01382	1.4
107.05042	0.8
108.02179	1.4
109.02957	0.8
119.05032	11.7
120.05341	0.3
121.02956	2.9
121.06602	0.7
122.03751	2.7
123.00893	0.9
123.04532	19.8
124.01657	0.6
124.04880	0.9
125.02452	24.7
126.02773	0.7
134.03755	0.4
135.04530	2.0
137.02477	0.9
137.06088	22.3
138.06438	0.8
139.04008	5.7
141.05579	1.6
145.03029	0.4
145.06636	0.7
147.04536	3.4
148.04916	0.3
149.02463	1.3
149.06110	0.4
149.10750	0.2
151.00392	0.4
151.04041	0.4
152.01222	0.4
153.05502	0.3
159.04512	0.2
161.06081	0.4
163.04010	0.7
163.07648	0.9
164.04799	0.5
165.01944	1.3
165.05577	11.2
166.02634	0.2
166.05878	0.6
167.03499	57.6
168.03838	2.4
171.04541	0.3
174.81375	0.2
177.05551	0.4
179.03522	0.9
180.04253	0.5
181.05103	3.1
181.06599	0.5
187.07661	0.4
189.05574	7.8
190.02719	0.3
190.05968	0.4
191.03523	0.7
193.01389	0.7
193.05048	0.5
204.27403	0.2
205.08694	0.3
209.04547	23.2
210.04916	1.2
221.04549	2.3
229.08728	0.8
231.06592	0.7
243.10429	0.3
247.09654	0.5
271.09796	1.1
315.08737	100.0
316.09073	9.0
318.97565	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0876
Annotation	dechloro-dehydrogriseofulvin
Peak:m/z	Relative Intensity
54.64453	0.4
55.01896	0.6
56.51954	0.4
57.03445	1.2
57.85176	0.4
59.01373	1.4
63.83902	0.4
65.00325	1.0
67.01875	0.7
67.43419	0.5
68.99822	2.3
69.03458	2.8
71.01389	3.7
71.05015	1.2
71.56503	0.7
72.86216	0.4
73.02940	0.5
74.96746	0.5
79.01878	0.8
80.02685	1.2
81.03458	20.2
83.01392	5.6
85.02958	2.0
93.03467	6.1
95.01384	0.6
95.05032	21.4
96.05370	0.5
97.02957	8.0
99.00880	0.5
99.04524	10.6
101.02453	1.7
105.03455	1.1
107.01396	0.8
107.05030	0.6
108.02170	0.8
109.02989	0.6
113.02449	0.8
119.05032	12.6
121.02967	3.2
121.06594	0.9
122.03756	3.7
123.00900	1.0
123.04534	20.6
125.02453	25.3
126.02750	0.7
135.04535	1.6
137.02499	1.1
137.06096	21.7
138.06387	1.0
139.04042	4.4
141.05586	1.8
145.06612	0.7
147.04538	3.0
149.02432	1.0
149.06090	1.0
151.00394	0.9
151.04066	0.4
152.01045	0.6
163.04010	0.9
163.07648	1.0
164.04774	0.5
165.01892	1.5
165.05574	11.0
165.99144	0.5
166.05971	0.5
167.03499	55.8
168.03804	1.9
179.03566	0.9
180.04198	0.5
181.05072	2.4
189.05589	7.3
190.02676	0.5
190.45706	0.4
193.01515	0.5
193.04968	0.8
209.04558	22.7
210.04912	1.5
221.04602	2.1
229.08673	0.7
231.06679	0.7
232.36380	0.5
243.56445	0.5
271.09805	1.0
300.02963	0.6
315.08740	100.0
316.09085	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	315.1088
Annotation	Taxicatin
Peak:m/z	Relative Intensity
51.00021	0.4
56.57347	0.3
59.01381	1.3
70.74945	0.7
70.75322	0.7
71.01388	1.2
87.05637	0.3
89.02456	0.6
93.03478	0.5
95.05024	0.7
97.33967	0.4
108.02168	0.5
109.02972	1.5
122.03786	0.5
123.04528	74.7
123.36131	0.3
124.04858	2.9
130.08784	0.8
135.04575	0.9
137.02449	0.6
143.11897	0.4
153.01985	1.7
153.05577	100.0
154.05896	4.2
226.68259	0.4
248.49716	0.4
281.11536	0.5
315.07452	0.6
315.10852	3.1
315.16611	0.6
338.02753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70115	0.9
55.01878	6.2
57.03452	5.5
58.00595	2.6
59.01381	37.0
63.02404	2.0
65.62021	0.8
66.43956	0.8
69.03442	1.1
69.70524	4.4
71.01382	100.0
72.01730	1.3
72.99329	3.9
73.02944	27.7
75.00877	1.5
81.85256	0.9
83.01385	13.2
84.02166	1.3
85.02950	43.4
87.00890	3.6
89.02451	14.4
95.01380	8.0
97.02961	2.6
99.00877	16.1
101.02441	58.5
102.02735	1.1
107.01410	2.1
108.02164	1.6
109.02939	0.7
113.02446	34.9
114.02805	1.0
119.03519	3.6
123.04491	0.7
123.24816	0.8
124.01714	0.9
125.02441	2.3
129.01984	1.2
143.03493	3.1
148.01668	1.1
151.00357	3.5
159.03017	7.6
161.04558	22.6
164.01213	0.8
168.61052	0.7
205.03589	1.0
239.96346	0.9
255.03201	0.8
267.97421	0.9
271.02521	1.4
300.02768	14.1
301.03024	1.8
315.05099	19.3
315.08514	1.3
316.05521	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	315.1964
Annotation	Cespitularin H
Peak:m/z	Relative Intensity
52.74361	2.6
57.30849	2.7
57.46843	2.7
59.01363	4.7
59.34211	3.2
65.16570	2.7
67.33301	2.5
71.55200	2.8
83.05022	7.2
94.97294	2.8
121.06575	6.1
123.04504	4.3
135.04491	8.0
136.05299	100.0
137.05927	2.8
148.05309	4.0
149.06082	72.3
150.06776	11.6
151.07626	3.7
159.80014	3.0
162.06854	55.3
165.09135	2.8
189.09175	4.3
204.11453	6.5
205.12334	4.3
244.14626	6.1
259.17075	4.0
271.16949	6.9
287.20233	3.6
297.18649	16.0
300.02698	3.6
300.17307	18.0
315.19608	87.1
315.25281	10.7
316.19949	8.4
329.17523	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
68.92338	0.3
70.46304	0.4
70.46646	1.0
71.01382	1.1
71.55134	0.3
74.02470	0.5
89.02477	0.7
93.03461	2.4
98.19881	0.5
98.94174	0.3
99.00904	0.9
101.02426	0.4
111.00886	2.0
113.02436	1.0
113.99582	1.1
115.00375	1.6
133.02911	0.5
138.05612	1.1
139.00368	5.6
140.01160	85.0
141.01460	2.6
153.01886	0.4
154.02713	0.8
155.03503	100.0
156.03851	3.5
165.01970	0.5
165.05551	0.9
167.03468	0.4
168.04213	0.5
175.02457	0.7
180.04225	0.3
195.06599	1.2
221.04561	3.5
267.67667	0.4
317.08765	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	317.1031
Annotation	Evofolin B
Peak:m/z	Relative Intensity
59.01450	0.9
67.01672	0.9
67.01997	2.1
71.01455	0.9
71.56869	1.2
81.03531	0.8
83.01495	2.0
95.01515	3.3
101.02533	1.0
107.01524	2.1
108.01489	2.9
108.02180	40.2
109.02997	6.4
111.01015	7.9
117.03648	0.7
119.01538	0.8
121.02979	3.8
122.03831	1.1
123.00039	1.6
123.00890	39.8
123.03703	0.9
123.04527	24.1
124.01681	23.1
124.04916	0.8
135.00952	0.9
139.00496	1.9
147.00887	9.3
148.01695	4.8
149.02579	2.5
153.02119	0.7
153.05658	1.8
162.03259	5.2
163.04012	8.1
206.52162	0.8
226.02835	0.9
229.05121	2.0
257.04575	5.9
272.06909	16.7
273.07376	2.2
273.12415	2.0
287.09259	100.0
288.09619	9.6
299.05518	1.0
299.10565	0.9
302.08102	0.7
317.03064	0.8
317.06796	1.9
317.10278	24.1
318.10577	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	319.0968
Annotation	Phenolphthalin
Peak:m/z	Relative Intensity
51.80003	1.7
55.21906	1.8
58.02972	5.1
59.01379	24.2
61.98825	2.7
69.69707	8.8
71.01376	7.0
71.05022	2.0
82.02991	2.1
84.04543	23.7
85.02950	4.4
87.00870	2.6
87.59000	2.1
89.02460	4.8
89.88951	1.9
93.03432	2.2
98.06145	6.0
99.05644	10.1
101.02435	3.7
102.05612	68.9
113.02472	2.4
115.08814	2.4
119.03513	2.7
124.04082	2.9
128.03540	100.0
132.98206	3.0
141.06714	8.0
141.10315	3.2
142.05103	14.1
145.02951	3.7
146.04593	31.7
146.06413	2.0
147.06056	3.0
148.04382	13.6
150.05577	3.3
154.98586	2.0
167.27275	2.2
172.04378	17.1
183.11473	3.3
189.07080	7.1
190.05437	78.5
191.05771	3.2
213.05611	7.4
224.04688	2.2
233.09673	3.4
241.06723	75.1
242.06898	4.8
256.07425	14.5
259.04904	2.3
271.09772	23.1
275.10724	24.0
319.05939	3.4
319.09732	69.1
319.13464	3.2
320.10098	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	319.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
58.00568	0.7
58.50684	0.6
59.01378	17.1
61.98817	0.8
70.32632	0.9
70.33013	1.0
71.01008	1.3
71.01385	23.7
71.04996	1.9
72.99290	2.6
73.02927	1.6
75.00872	1.5
79.10913	0.6
80.96503	0.8
83.01365	1.9
85.02947	3.0
87.00879	31.4
87.04491	0.9
87.71693	0.7
89.02448	1.6
93.03407	0.8
95.01358	1.0
99.00909	1.0
99.04534	4.4
101.02438	2.4
112.98789	1.1
113.02434	2.9
115.00375	62.8
115.04003	2.4
115.07623	0.8
116.00724	1.0
117.05550	3.7
119.03474	1.4
129.02071	0.8
139.07608	0.8
143.07072	0.7
157.08678	0.9
161.04581	1.0
161.08189	14.8
175.02473	100.0
176.02794	3.5
187.45935	0.6
202.42451	0.7
210.69180	0.7
211.10956	0.7
232.11514	0.7
241.04967	0.7
241.71127	0.6
245.08334	0.8
256.07394	0.9
271.09769	1.3
275.07663	1.5
319.10385	23.7
319.13968	2.6
320.10864	2.3
331.43536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86657	0.6
58.02974	8.7
59.01372	0.8
59.87527	0.6
61.67259	0.7
69.68168	3.2
72.00908	4.7
82.06191	0.8
82.06624	3.2
91.05528	12.6
103.05488	0.9
112.07697	3.6
115.75220	0.9
118.06642	4.2
126.09213	1.3
129.10344	75.7
130.10693	2.8
135.04462	1.4
147.04521	26.4
148.04817	1.5
153.10364	3.9
154.08728	12.0
164.07161	70.8
165.07518	3.3
171.11388	56.1
172.11708	2.6
183.11354	0.8
216.13911	1.3
231.14882	0.8
233.16582	35.8
234.16943	2.6
237.63576	0.8
275.17657	5.7
277.15564	2.9
317.37683	0.7
319.16617	100.0
320.16983	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	320.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.2
61.98829	0.9
63.52321	0.5
65.06666	0.5
71.01384	1.6
71.55583	0.8
73.02950	0.5
84.00911	1.2
85.02968	1.0
89.02451	1.1
101.02431	1.3
108.37492	0.5
109.44187	0.5
110.02460	1.6
113.02440	1.3
119.05035	0.9
124.04103	1.3
128.03539	1.1
140.07181	100.0
141.07527	3.9
142.64044	0.5
153.04314	7.6
154.08734	7.7
155.09140	0.5
161.04614	1.1
167.05873	2.6
175.78938	0.5
182.08220	29.7
183.08559	2.2
191.05630	0.9
200.09290	8.4
245.26007	0.5
291.58051	0.5
302.12579	4.0
303.13007	0.6
320.10104	0.9
320.13654	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.0
61.98836	3.0
68.99815	42.2
70.10143	8.8
70.10495	1.8
71.01386	25.2
72.99307	3.9
73.02931	4.7
78.95876	4.1
83.01392	3.1
84.23135	2.3
85.02951	7.6
87.00867	13.3
89.02439	10.5
93.03458	7.6
95.01398	4.4
95.19178	2.0
96.99319	34.0
97.02938	2.6
99.00910	3.2
101.02451	13.5
107.97932	2.2
109.02922	3.0
113.02435	9.1
115.00382	22.0
117.03482	4.6
119.03620	3.8
119.05024	100.0
120.05369	5.0
122.06124	11.2
133.03011	2.4
133.06645	4.1
134.06126	4.2
137.02444	3.9
143.05005	5.6
145.02971	16.7
145.06578	3.9
147.04514	8.8
149.06079	2.5
150.05620	2.4
157.01443	2.8
159.04578	4.2
159.81187	2.3
161.04565	5.2
161.06052	5.2
163.04010	77.7
163.05383	3.9
164.04358	5.3
164.07156	4.3
171.04478	6.3
173.06032	10.7
174.01657	2.9
175.02486	70.8
175.03888	4.5
176.02829	2.4
177.05608	6.5
187.03961	9.0
189.05569	26.4
193.36147	2.0
195.00627	2.1
203.07133	9.1
205.05084	3.4
217.05043	25.7
231.06563	5.9
259.10873	7.9
261.04129	12.6
262.04343	2.7
277.07217	20.6
285.12393	5.8
303.13455	12.0
304.13925	2.2
321.06146	36.7
321.15213	7.4
322.06271	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	321.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98822	26.2
62.86398	7.8
68.99465	7.7
68.99797	37.8
69.77901	8.5
70.72307	20.7
71.01383	94.7
72.99288	7.7
73.02930	20.6
78.95900	13.2
83.01369	18.2
85.02943	27.9
87.00891	20.2
89.02461	55.8
93.03442	11.6
93.44657	7.6
95.01340	8.2
96.99303	29.8
99.00876	10.2
101.02435	54.3
113.02437	39.7
115.00356	23.7
119.03449	14.5
119.05046	78.4
121.02966	8.6
123.04531	12.6
135.86899	9.1
140.07271	7.7
144.07814	13.7
144.85979	7.7
145.02969	19.5
149.04736	9.3
159.03058	10.5
160.04021	20.2
161.04527	27.4
161.05989	10.3
163.04016	80.2
164.07175	15.6
175.02493	73.1
189.05522	29.2
213.56975	7.5
217.05014	12.5
231.06665	11.7
259.10693	9.6
277.07159	23.8
303.13373	49.9
321.06207	38.2
321.09946	10.9
321.15430	35.1
322.13956	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	321.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	34.3
69.80366	14.0
71.01375	33.1
71.52400	16.0
71.54638	25.7
71.55022	15.0
84.67068	15.3
85.02934	29.0
87.00884	20.5
101.32643	13.6
101.91333	13.8
106.95161	13.9
113.02451	16.8
115.00379	34.8
118.56237	13.5
129.02010	20.3
141.01942	14.3
178.71257	17.1
185.92830	13.9
231.51259	15.1
283.10373	18.1
321.08295	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01697	0.9
64.31322	0.6
67.05837	0.7
69.37776	5.9
71.01385	1.8
84.31129	0.6
85.02960	0.7
87.83765	0.7
89.02454	3.8
97.32523	0.7
101.02438	1.1
102.54440	0.6
106.67908	0.6
113.02493	1.3
119.03526	1.4
126.44168	0.7
175.13213	0.7
187.03813	0.8
292.27988	0.6
321.15195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2072
Annotation	Rapanone
Peak:m/z	Relative Intensity
57.48496	0.6
59.01381	100.0
60.01712	1.3
61.98843	1.2
71.55621	0.6
103.04015	1.0
129.29247	0.6
156.63779	0.6
277.18207	1.1
317.77914	0.7
321.20694	52.8
322.21005	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	322.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04091	0.7
50.87921	0.8
59.01383	3.9
61.98837	0.8
64.19271	0.8
65.15215	0.7
70.84228	2.2
71.01385	1.4
74.02451	0.7
82.02997	0.8
85.02969	3.4
86.65858	0.8
101.02424	1.6
102.05612	40.7
103.05965	0.8
117.03465	2.0
128.03546	57.0
129.01923	1.0
129.03906	1.0
132.02182	2.1
134.03746	58.3
135.04100	1.8
146.04597	100.0
147.02971	0.8
147.04881	2.6
148.05307	0.8
149.06084	27.7
150.06458	2.1
159.03038	2.1
160.01657	10.4
161.02342	1.2
161.73610	0.8
172.02525	1.9
175.04004	20.5
177.04070	1.2
177.05515	2.0
192.06668	1.0
193.05054	16.3
204.06668	1.0
221.19786	0.8
221.65915	0.8
223.21521	0.8
228.86827	0.8
232.09819	5.2
234.11339	1.5
235.10133	0.8
260.09085	0.8
262.07236	0.8
278.10251	5.6
304.08258	12.9
305.08612	1.4
322.09302	31.8
323.09775	2.5
326.69144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2022
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02970	1.9
70.18349	1.0
81.03447	0.5
82.26363	0.3
85.83376	0.3
95.05038	0.7
95.07360	0.3
107.36077	0.3
109.06597	0.6
128.10818	7.8
129.11105	0.3
130.08739	100.0
131.09076	3.0
165.12874	0.7
172.09770	0.6
190.51390	0.3
315.82507	0.4
322.20212	30.0
323.20566	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	323.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	3.0
59.01379	43.7
69.30428	21.9
71.01378	46.0
72.99306	2.8
73.02949	48.2
81.03438	4.1
83.01388	3.7
85.02953	20.0
87.00861	5.6
89.02444	23.2
95.01355	3.7
97.02932	9.0
98.19830	5.2
99.00870	3.5
101.02441	100.0
113.02466	17.8
115.04015	5.4
119.03468	8.2
119.05048	3.3
125.02419	12.7
131.03479	8.3
134.03757	13.3
135.04077	10.1
143.03479	8.0
146.04596	8.8
149.06064	3.1
150.06395	7.1
159.02937	5.9
161.04570	14.8
169.16826	2.4
176.04282	4.3
177.04027	8.3
179.05524	5.0
221.06613	13.0
275.38873	2.6
305.08737	6.0
312.97293	2.7
323.05890	2.9
323.09616	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01381	100.0
60.01709	1.3
61.98830	4.1
69.03474	0.7
69.91018	0.6
71.01387	9.9
71.55068	0.8
73.02956	1.4
78.95906	1.5
83.01411	0.8
85.02941	4.6
87.00909	1.1
89.02446	6.3
96.96046	0.9
99.00872	0.9
101.02451	5.2
101.06110	1.0
113.02438	6.3
114.01990	1.7
119.03533	2.5
125.02469	4.4
133.01598	1.4
135.89095	0.7
143.03549	1.3
150.04201	3.2
153.76627	0.9
159.02991	0.7
161.04573	5.3
161.08165	1.1
174.04146	0.8
179.05641	1.0
179.95567	1.1
180.95734	0.8
181.95323	1.8
263.11334	2.6
266.08896	4.3
287.07803	1.3
323.09561	2.0
323.13504	4.5
324.04785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03437	1.5
59.01383	13.6
61.48114	1.2
64.24746	1.5
70.22838	1.2
71.01048	1.3
71.01370	6.2
73.95184	1.2
85.02941	3.1
85.06610	2.4
85.26723	1.2
87.00896	1.4
89.02454	4.0
101.02446	2.5
107.05040	1.6
111.58128	1.1
113.02446	4.6
141.25436	1.2
160.23036	1.3
161.04607	3.4
165.12885	3.8
171.10222	1.3
183.01236	1.2
193.15967	1.4
197.02728	2.5
237.14966	8.5
238.15282	1.7
247.20757	2.2
264.98160	2.6
273.18637	2.4
291.19659	54.5
292.19986	5.1
292.97736	1.7
305.21149	2.9
308.00134	3.0
308.19943	2.2
323.02304	1.5
323.09711	1.8
323.16833	22.0
323.22253	100.0
324.17227	2.7
324.22543	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	323.2227
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.86436	0.7
59.01377	7.6
60.75808	0.7
66.87168	0.7
69.26295	6.0
69.26703	1.8
71.01373	3.7
85.02950	2.5
87.00859	1.1
89.02460	1.9
89.37305	0.7
100.91946	0.7
101.02447	2.3
104.34111	0.8
111.00863	1.1
113.02462	4.0
123.04528	1.5
137.06128	1.5
137.09715	1.0
143.03525	0.9
161.04689	1.5
165.09229	1.3
165.12862	1.4
201.43024	0.8
251.16309	1.0
261.22232	3.6
279.23334	0.7
287.20181	0.9
305.21210	100.0
306.21558	12.1
323.09546	1.1
323.16684	1.8
323.18051	1.2
323.22293	24.1
324.22455	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	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15567	0.3
59.01380	6.2
69.51848	2.8
69.52198	0.6
71.01384	2.5
85.02937	0.5
87.00875	0.4
89.02454	2.4
89.03986	0.3
98.19917	0.6
101.02440	1.2
113.02463	0.9
117.03468	21.8
117.17078	0.4
118.03827	0.9
119.03495	0.9
119.05026	7.3
133.06638	0.6
145.02959	100.0
146.03300	4.7
159.04527	0.9
161.06071	1.1
163.04010	9.9
187.04007	3.4
193.47092	0.4
205.05087	0.9
235.06032	0.7
265.07162	1.4
317.55417	0.4
325.09247	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	325.0927
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
58.78159	0.3
59.01380	6.6
59.81774	0.3
67.56235	0.3
71.01389	2.7
72.14105	0.3
85.02960	0.7
89.02473	1.7
101.02435	1.0
101.93439	0.3
113.02457	1.0
117.03467	21.4
118.03815	0.7
119.03496	0.7
119.05035	5.1
129.31622	0.3
133.06546	0.8
144.35289	0.3
145.02953	100.0
146.02217	0.6
146.03282	4.8
159.04562	0.6
161.06073	1.4
163.02716	0.6
163.04019	8.3
163.59143	0.3
187.03996	3.6
205.05083	1.2
225.50452	0.3
235.06140	0.4
260.04230	0.3
265.07123	1.7
325.09277	4.7
326.09622	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73188	0.3
54.13948	0.3
59.01381	5.5
59.51495	0.2
69.77631	1.5
71.01382	2.7
85.02956	0.8
85.99471	0.3
89.02439	2.1
89.62746	0.3
95.01327	0.3
101.02428	1.1
113.02448	1.1
117.03471	19.5
118.03826	0.8
119.03522	0.7
119.05024	5.1
120.05415	0.4
133.06572	0.5
140.31190	0.3
141.67320	0.3
145.02953	100.0
146.03288	4.2
157.64507	0.3
159.04485	0.7
161.06049	1.4
163.04005	7.5
179.05568	0.4
187.04015	3.2
188.04407	0.3
205.05107	1.9
265.07205	1.8
325.09302	4.0
326.09570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80818	0.3
57.87082	0.3
57.87423	0.2
59.01103	0.4
59.01379	5.6
63.38331	0.3
67.90624	0.3
69.59133	1.8
71.01381	2.7
75.11125	0.3
83.01405	0.3
85.02943	0.8
89.02438	2.4
95.01398	0.3
98.19971	0.5
98.99496	0.2
101.02413	0.8
108.03203	0.3
113.02441	1.0
115.32592	0.3
117.03466	22.6
118.03793	0.9
119.03561	0.5
119.05024	4.5
123.85883	0.3
133.06586	0.6
145.02953	100.0
146.03267	4.8
159.04448	0.6
161.06094	1.1
163.04012	8.8
164.04308	0.4
187.04005	3.5
197.11967	0.3
205.05075	1.3
233.49518	0.3
235.06175	0.5
265.07211	1.6
325.09302	4.2
326.09576	0.5
346.44952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1078
Annotation	Moracin O
Peak:m/z	Relative Intensity
59.01426	2.0
60.38063	0.7
69.20641	3.0
69.21066	5.0
71.01427	1.0
71.94218	0.6
93.03525	1.2
101.02524	1.3
109.03045	0.9
119.73247	0.7
145.03015	1.0
147.04575	0.9
159.04605	1.0
167.08702	1.0
173.02412	1.2
176.04840	0.8
183.08200	0.9
187.04060	1.3
193.06586	1.8
195.04590	2.4
195.08176	2.7
196.05351	2.6
197.06114	1.7
209.06152	2.0
211.04016	1.8
211.07701	3.5
221.06126	5.1
222.06836	2.0
223.04054	2.1
223.07666	3.3
224.04729	3.5
225.05595	1.6
233.05917	0.9
235.03761	0.9
236.04782	0.8
236.71167	0.8
237.05565	13.8
238.06334	4.5
239.07143	7.9
240.07600	0.9
248.04820	3.2
249.05505	10.1
250.06281	3.1
251.03624	3.9
251.06926	3.6
252.04187	2.6
253.05020	0.9
265.05099	4.4
266.05862	4.4
267.06613	42.6
268.06982	4.6
277.05045	4.1
278.05753	1.5
279.06625	3.0
281.08197	2.6
294.05249	1.2
294.08823	1.7
295.06107	100.0
296.06448	10.2
309.07724	4.8
310.08450	67.9
311.08774	6.8
324.26031	0.7
325.10779	97.8
326.11142	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	325.1135
Annotation	beta-D-Galactosyl-(1->4)-L-rhamnose
Peak:m/z	Relative Intensity
55.01868	2.3
57.03450	3.7
59.01380	71.1
70.03172	6.8
71.01384	46.6
72.99309	4.5
73.02956	10.1
75.00864	5.3
80.91660	1.7
83.01399	8.6
83.05033	5.1
85.02949	18.7
87.00862	3.6
89.02446	30.5
95.01376	3.7
97.02976	2.3
99.00866	5.9
99.04504	6.9
101.02448	39.1
102.02821	2.0
111.01956	4.1
113.02450	18.0
119.03517	12.4
119.05020	1.7
124.01622	2.7
124.98882	1.6
125.02450	15.2
127.04007	3.6
127.76182	1.5
131.03474	2.6
134.04713	1.8
143.03506	2.7
145.05061	19.5
148.04062	2.5
151.11832	1.5
159.02995	2.0
161.04536	13.2
163.04001	2.5
163.06108	25.8
163.09747	2.0
167.02115	3.3
175.02457	1.9
188.07773	2.2
191.08145	2.1
287.07813	4.5
307.10373	5.5
325.11365	100.0
326.11435	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	325.202
Annotation	Plakortenone
Peak:m/z	Relative Intensity
59.01301	1.3
69.23064	1.7
69.23463	6.2
97.06506	1.1
98.19897	1.0
121.02953	5.1
122.03760	5.0
123.04453	0.8
135.04543	0.8
136.05171	2.5
154.67191	0.7
164.08376	1.5
165.12721	0.8
167.14433	6.2
168.04192	1.9
183.01065	1.0
193.15961	3.1
207.17442	2.8
231.17592	3.2
233.15416	1.6
247.17068	1.0
249.18587	37.0
250.18826	2.0
265.18103	0.8
275.16516	27.8
276.16684	2.6
281.21210	6.8
293.17581	100.0
294.17905	8.8
307.19196	4.6
307.22354	1.0
325.20218	65.4
326.20624	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
57.04612	0.5
59.01380	1.1
70.51723	0.7
70.52055	1.3
79.95781	1.5
88.43803	0.5
104.43127	0.5
116.47916	0.6
119.05042	1.1
124.05253	0.7
132.49040	0.7
149.09717	89.0
150.10052	4.3
163.11281	100.0
164.11607	5.1
170.00504	0.9
183.01198	52.3
184.01944	6.9
190.83372	0.6
197.02798	2.2
216.00955	3.0
217.10689	0.7
225.06041	0.8
239.07460	0.6
261.22180	0.7
265.25299	3.5
281.28415	1.9
307.26321	3.0
325.18289	92.6
325.21713	84.1
325.27200	17.6
326.18613	10.9
326.22070	10.1
326.27707	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	326.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.1
70.09719	2.2
70.10109	1.7
87.00883	1.1
102.25255	0.8
107.03637	2.1
121.02962	1.7
134.04729	100.0
135.05045	3.2
146.02489	1.9
149.02429	15.2
150.03232	14.7
164.04819	5.3
165.05563	19.6
244.42812	0.8
254.31058	0.9
266.09012	2.3
267.09225	0.9
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	Androsin
Peak:m/z	Relative Intensity
55.01854	0.4
55.43406	0.4
59.01371	0.9
61.98809	0.3
71.01392	2.3
71.26125	0.8
73.02940	0.8
77.03957	0.6
85.02947	1.5
87.00876	4.7
93.03439	1.1
95.01352	1.1
95.04994	0.8
101.02441	1.3
113.02445	1.0
121.02954	8.8
122.03780	0.9
123.04561	0.6
123.78753	0.4
125.81372	0.4
134.04671	0.7
135.04529	0.4
149.02443	83.4
150.03230	76.4
150.04144	0.7
150.04530	1.0
151.03542	3.0
161.04599	0.6
163.03978	1.5
164.04796	28.0
165.05565	100.0
166.05905	5.3
204.28174	0.3
207.06612	1.4
331.95624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1238
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
54.84937	0.6
59.01366	1.4
71.56753	1.1
77.55961	0.6
79.95745	0.7
81.95308	2.7
81.96100	0.6
83.95688	0.9
85.02959	0.8
87.23217	0.6
93.03442	3.7
108.02169	4.0
109.02929	1.8
119.05032	2.0
121.02959	24.6
122.03236	1.6
123.04513	4.5
133.02914	0.6
134.03770	0.7
134.06157	0.8
135.04506	1.8
143.04974	1.0
145.02951	0.9
146.03749	0.7
147.04535	6.9
149.02399	2.7
150.03224	0.6
154.38504	0.6
158.03760	1.7
159.04492	1.5
161.02371	1.0
163.04031	4.0
165.05516	1.7
171.04486	1.6
174.03145	0.9
175.03999	22.4
176.04375	1.4
181.06505	0.9
183.04733	0.9
183.13794	0.8
185.05853	1.0
187.03992	1.7
188.04773	0.6
189.01953	0.8
189.05557	1.4
190.06331	6.7
193.06564	0.9
195.04498	0.8
195.08156	2.2
196.05266	1.5
197.06039	2.1
197.09879	0.8
203.07111	3.1
205.06647	1.0
207.08078	1.7
209.06104	3.0
210.06786	0.8
211.03931	1.2
211.07578	3.6
212.04716	1.5
213.05478	2.4
213.89336	0.7
219.08136	0.7
221.06056	3.1
222.05197	8.0
223.07613	6.4
224.04704	1.6
225.05602	3.8
225.09172	1.4
226.06250	0.9
227.07097	4.0
228.07399	1.2
229.07701	5.7
230.08427	0.8
232.05289	0.7
233.06044	5.6
234.06766	1.3
235.04016	1.5
235.07582	1.8
236.04752	1.4
237.05585	4.4
238.06261	1.5
239.07124	7.9
240.04269	1.5
240.07742	1.9
241.05090	3.8
241.08780	3.0
243.10257	5.9
244.10539	1.1
245.10867	11.9
247.11354	1.3
248.04720	0.8
249.05513	4.7
250.06285	4.2
250.36433	0.7
251.03436	0.7
251.04115	0.7
251.07129	12.1
252.07611	2.2
253.05084	2.2
253.08672	1.5
254.05753	2.6
255.06413	1.0
256.07480	0.7
261.05557	7.1
262.06262	2.9
263.07031	2.4
264.04123	1.8
264.07779	0.8
265.05005	1.2
265.08661	1.0
266.05695	1.4
267.06613	12.6
268.07339	4.7
269.04843	1.7
269.08176	22.7
270.08487	2.3
277.05005	1.4
278.05807	2.1
278.09445	2.3
279.06635	21.5
279.09738	0.7
280.07220	4.1
281.08127	1.5
282.05771	0.8
282.08859	3.4
283.06100	1.9
283.09726	6.7
284.06934	0.8
284.10150	0.9
286.04803	0.9
293.08102	1.3
294.05554	1.3
294.08951	10.9
295.06036	2.6
295.09500	1.8
296.06870	2.6
297.07684	100.0
297.11087	5.7
298.08060	10.4
298.11371	1.0
309.11316	30.5
310.11572	3.1
311.05609	2.8
311.09195	4.7
312.06488	5.4
312.10001	67.3
313.10272	6.4
327.05618	12.9
327.08878	10.2
327.12299	93.8
327.21399	6.4
328.05930	0.8
328.09195	1.4
328.12640	9.3
331.40216	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1236
Annotation	Casuarinondiol
Peak:m/z	Relative Intensity
55.89324	0.7
73.02928	1.3
74.25198	0.5
93.03447	2.9
109.02944	1.6
119.05041	1.3
121.02956	23.7
133.02936	1.1
135.04483	1.3
145.02969	1.1
147.04514	5.8
149.02426	5.7
158.03720	2.1
159.04538	1.7
161.06056	1.2
163.04031	4.0
164.04761	1.5
165.05490	1.3
171.04539	1.2
174.03233	1.1
175.03998	19.6
176.04483	1.0
187.03946	1.1
188.04840	0.9
189.05525	1.9
190.06320	6.8
191.07079	2.2
195.08139	1.3
196.05348	0.9
197.06007	2.2
203.07126	1.1
205.06519	1.1
207.08142	1.8
209.01822	1.4
209.06010	3.1
211.04053	1.1
211.07637	2.6
212.04742	0.8
213.05547	1.2
217.08702	1.4
221.06017	2.3
222.05199	5.9
223.07549	6.5
224.04770	1.2
225.05560	3.4
225.09128	1.7
233.06079	4.6
234.06750	1.8
235.04062	1.2
235.07596	2.0
237.05527	3.0
238.06358	0.9
239.07166	7.9
240.04327	1.7
240.07814	1.4
241.05057	1.2
241.08675	2.5
249.05551	4.4
250.06320	3.2
251.07083	10.8
252.07733	2.7
253.05052	2.1
253.08693	2.2
254.05807	2.4
255.06366	1.0
256.07339	1.1
261.05582	7.1
262.06183	1.8
263.06970	2.9
264.04266	1.4
264.07660	1.0
265.05087	1.0
266.05591	1.0
267.06613	11.3
268.07382	5.6
269.08160	20.1
270.08527	2.5
277.05069	1.2
278.05682	2.9
278.09366	2.3
279.06622	24.6
280.07300	3.5
281.08173	1.5
282.08926	1.3
283.05820	1.4
283.09708	6.4
284.10266	0.7
294.08966	11.4
295.06137	1.0
295.09393	1.0
296.06772	2.2
297.07684	91.1
297.11124	5.7
298.08026	8.4
298.11398	1.1
309.11307	29.8
310.11612	3.4
311.09164	3.8
312.10022	68.2
313.10333	6.6
327.04590	4.6
327.12338	100.0
328.12622	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01880	0.4
57.03445	2.2
59.01367	1.1
63.16460	0.4
69.03444	2.0
69.43036	3.2
71.01360	1.0
83.05017	0.8
85.02952	7.7
93.03471	0.5
95.05024	0.9
97.02921	1.3
97.06583	4.8
115.80886	0.4
117.75443	0.4
119.08654	0.7
121.02948	0.6
123.08163	0.5
125.09687	2.1
127.11237	2.2
131.43271	0.4
137.09685	2.3
142.84099	0.5
145.73006	0.4
147.08061	0.4
149.02414	0.8
155.10809	0.9
165.05524	0.4
165.12791	0.6
167.14386	1.2
171.10260	21.2
172.10606	0.9
177.12837	1.0
182.68730	0.4
183.13904	4.6
185.11768	1.6
185.21408	0.4
193.12289	1.5
195.13763	0.6
197.02895	0.5
197.11781	1.0
201.11328	0.7
209.11804	1.9
211.13379	23.2
212.13777	1.6
221.11841	3.5
229.14421	14.4
230.14738	0.6
239.12903	2.3
247.20715	0.6
274.09341	0.4
291.19632	3.8
299.05740	1.0
309.20700	1.5
327.05106	2.4
327.21738	100.0
328.18311	0.8
328.22049	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	328.0452
Annotation	2',3'-Cyclic AMP
Peak:m/z	Relative Intensity
55.01877	0.3
59.01381	1.4
61.98833	0.6
66.00972	0.2
71.01394	1.5
71.02483	0.3
71.02807	0.3
74.02464	0.3
78.95918	0.4
83.01389	0.8
85.02963	0.3
87.00877	0.6
88.04043	0.2
89.02442	0.6
90.82362	0.2
92.02528	0.8
93.03438	0.2
97.02962	0.5
97.22627	0.2
101.02422	0.5
107.03629	4.1
113.02427	0.6
114.05575	0.3
115.00367	1.0
119.03536	0.3
120.05328	0.3
122.03746	0.6
123.04523	1.3
125.02444	1.6
130.08707	0.4
134.04730	100.0
135.05217	2.1
147.04549	0.6
148.04948	0.6
149.02457	0.5
153.00426	0.5
154.99864	3.7
165.05513	0.9
166.02724	0.6
166.05923	0.7
167.03502	0.7
170.91118	0.3
172.97737	0.3
175.02487	1.6
189.05431	0.2
207.10536	0.3
240.07275	0.9
266.08868	0.6
268.06750	0.6
284.12634	0.4
284.16028	0.3
290.55295	0.2
328.04544	2.0
328.08725	0.5
329.01471	0.8
329.09030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.8
59.76246	0.7
61.98817	2.2
71.01380	0.7
71.54911	0.7
74.99377	1.5
82.95427	0.6
87.00874	0.9
115.02494	1.6
117.00452	11.4
118.00526	0.7
125.00951	1.3
125.35703	0.6
126.98889	2.4
129.00417	1.1
134.40717	0.5
143.02025	3.7
157.03584	1.1
159.01495	59.2
160.01627	4.7
168.99936	4.0
170.97859	22.3
171.01526	2.8
171.97984	2.3
187.00980	100.0
188.00827	8.5
190.97217	1.1
191.02455	0.7
198.99446	0.8
201.02542	13.0
202.02754	1.2
215.91293	0.6
221.30244	0.6
232.98291	3.2
241.00549	2.3
256.98080	0.7
271.59863	0.7
274.99344	10.7
275.99530	0.7
287.01102	1.8
311.01071	1.2
328.96768	4.4
329.02597	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	329.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89885	4.4
59.01377	45.8
59.97865	4.1
61.98832	66.5
68.91694	4.0
68.99795	4.2
69.03448	8.8
71.01386	23.4
71.55577	4.7
78.05291	4.1
78.70540	4.3
85.02952	7.2
89.02438	13.4
93.03446	6.5
95.01423	4.9
97.02948	25.8
101.02465	7.0
107.01463	6.5
108.02175	7.0
113.02473	11.9
121.02936	32.0
123.04536	50.0
125.02444	100.0
139.00328	8.9
139.04123	4.9
149.02431	28.4
150.03093	15.5
150.05618	13.3
151.00317	6.6
152.01047	6.6
152.03723	6.6
154.99878	7.7
165.05472	14.5
166.02722	35.9
166.05956	7.3
167.03497	45.5
167.05983	11.5
204.44864	4.8
209.04536	8.0
235.56845	5.6
312.10886	6.2
329.08667	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00941	0.5
59.01395	3.2
65.00319	0.7
69.54964	1.1
69.55363	1.9
71.01392	0.7
74.97630	0.4
81.03453	4.3
83.01395	2.9
95.02852	0.5
95.05011	0.9
96.53649	0.5
97.02924	0.7
98.19849	0.6
103.61958	0.5
107.01422	0.6
121.02970	0.9
123.04524	37.3
124.04852	1.6
125.02466	3.6
135.04466	0.6
137.02364	0.6
139.04037	0.6
149.02440	1.1
151.00400	1.0
151.04022	1.1
163.04031	1.4
166.02705	1.0
167.03491	100.0
168.03850	4.1
175.00331	1.6
179.03549	0.9
181.05054	3.3
191.03493	25.0
192.03798	2.0
209.04543	10.0
209.06458	0.3
210.04887	0.6
214.77748	0.5
221.04532	2.2
329.08752	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	329.0879
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
55.01876	5.6
59.01375	7.6
60.39671	0.6
67.01873	0.6
68.99821	0.8
69.03458	2.0
71.01380	10.5
71.54342	1.1
72.99312	1.3
73.02935	1.9
74.02466	0.9
74.38004	0.5
75.00895	0.7
78.95887	1.1
79.05540	8.2
79.95746	2.2
80.96509	2.2
81.03445	6.3
83.01383	8.5
85.02933	2.8
87.00875	5.5
88.04070	1.6
89.02468	1.4
93.03503	1.0
95.01395	1.7
96.99311	0.7
97.02953	7.7
99.00895	1.4
101.02452	2.9
105.03457	3.0
107.05014	0.6
108.02168	1.9
109.02975	1.3
111.00879	2.0
111.04506	0.8
112.98850	0.6
113.02448	2.4
114.05630	0.6
115.00391	8.3
121.02940	2.8
122.03773	3.5
122.06139	0.9
123.04526	100.0
124.04857	4.8
125.02449	31.6
126.02788	1.0
127.00401	1.5
128.03458	0.6
134.04726	0.8
136.99142	1.1
137.02405	1.3
139.00357	2.0
149.02437	20.0
150.02808	0.7
150.05588	2.4
152.01180	1.3
153.01923	0.6
154.99866	59.0
156.00246	1.7
161.04578	0.9
164.98541	1.9
165.05527	1.5
166.02740	1.7
167.03494	24.0
173.00877	1.1
175.02477	11.8
179.03214	0.6
192.97801	1.3
209.04559	1.5
262.93494	0.6
309.72751	0.6
312.10669	1.1
329.01614	15.0
329.08774	54.8
330.01889	0.8
330.08817	4.9
330.12329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.00568	0.9
59.01384	6.3
69.03462	5.5
69.50294	4.7
69.50713	2.2
71.01372	1.4
77.25658	0.9
81.03449	3.9
83.01392	2.3
91.86820	0.9
95.01378	1.2
95.05031	4.4
97.02948	21.1
98.20657	1.8
99.04545	1.0
107.01408	1.5
116.09299	1.0
123.04533	6.3
125.02448	100.0
126.02771	3.4
137.02440	2.3
137.06096	5.2
155.32570	1.1
160.14525	1.1
165.05537	1.7
167.03493	17.3
168.03806	1.8
175.19873	0.9
179.03511	3.6
197.04475	1.2
209.04546	33.4
210.04799	1.5
239.05612	7.6
325.28754	1.1
329.08713	3.3
350.33624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.02391	0.4
55.69210	0.4
58.50914	0.4
59.01377	2.7
69.03458	5.9
69.65646	1.0
69.66077	2.2
71.01372	2.0
79.01891	9.2
83.01401	0.5
85.02966	0.6
89.02431	0.6
93.03454	0.6
95.01385	1.2
97.02952	4.7
101.02451	1.3
107.01388	21.0
113.02473	0.6
121.02971	2.0
123.00877	2.1
123.04530	0.6
125.02454	8.3
133.02953	1.0
135.00877	0.9
136.01669	1.8
137.02441	0.8
149.02435	1.7
149.06105	0.5
150.03209	0.5
151.00362	15.7
152.01071	0.6
153.02029	0.6
161.04584	0.6
163.04041	2.1
165.01936	0.7
166.02715	100.0
167.03484	25.5
167.07172	1.7
168.03822	1.4
177.01930	3.3
179.03566	0.6
181.05067	0.8
191.03461	0.7
209.04512	5.8
221.04480	0.9
297.06238	1.6
320.28867	0.5
329.08780	8.7
329.12375	0.6
330.09235	0.6
339.48853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1396
Annotation	Dihydroconiferyl dihydro-p-coumarate
Peak:m/z	Relative Intensity
53.90975	1.2
59.01102	2.3
59.01381	34.9
64.95550	1.4
70.66307	2.3
93.03468	1.6
105.34489	1.3
108.05415	1.4
114.27520	1.5
121.02939	4.7
129.09207	1.6
147.04492	3.1
148.05315	10.9
149.06090	32.3
150.06384	1.6
155.69592	1.3
165.05551	16.9
166.06339	11.9
171.10323	2.3
179.07138	100.0
180.07436	5.6
181.08667	2.7
208.07391	28.3
209.07629	1.5
223.09753	11.0
313.71979	1.3
329.13904	68.3
329.23257	19.1
330.14236	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	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.50544	0.3
57.03434	1.0
59.01373	1.5
61.98853	0.3
69.03446	0.3
71.05022	0.7
71.56108	0.4
72.48751	0.3
83.05035	0.9
85.02953	0.5
97.06585	1.0
99.08154	7.3
125.09682	1.7
127.11304	4.0
129.09198	0.7
137.09749	0.3
139.11293	7.6
155.10736	0.6
155.14377	0.9
157.12347	0.8
165.12779	0.7
167.10739	0.5
167.14407	1.8
171.10263	17.5
172.10600	0.8
183.13904	5.2
184.14233	0.4
185.11748	0.4
193.12354	2.2
199.13327	0.5
201.11209	0.4
209.11859	1.3
211.13397	28.8
212.13754	1.6
229.14433	16.5
229.66832	0.3
230.14790	0.9
293.21298	1.0
311.22247	0.7
329.23315	100.0
330.23627	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	331.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82264	0.5
55.48898	0.5
59.01372	1.0
63.02397	3.0
64.80303	0.4
65.00325	11.0
69.24204	4.8
71.01399	0.8
83.01378	5.0
93.03453	0.5
98.94432	0.7
101.02399	0.7
107.01391	16.9
108.99268	0.5
110.16843	0.5
116.54492	0.5
127.11267	2.0
143.74318	0.5
151.00366	100.0
152.00720	4.4
153.01953	0.5
157.12318	1.1
157.13562	0.5
169.01379	0.6
178.99855	12.6
179.01323	1.0
183.02948	3.7
211.02469	41.4
212.02824	1.9
302.61136	0.5
313.23990	2.5
329.23392	1.6
331.24890	28.0
332.25180	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.99363	0.9
69.03445	2.3
69.77869	3.5
77.29007	0.6
79.01914	1.5
79.92596	0.7
81.03454	1.5
83.01387	1.2
83.09198	0.7
95.01379	0.7
97.02961	2.9
99.34332	0.6
101.00628	0.6
107.01385	2.1
110.00087	1.9
123.00861	4.7
124.01662	17.0
125.02451	62.8
126.02776	2.0
136.10336	0.7
137.02501	0.7
137.99585	1.5
149.99585	28.4
151.00319	2.5
152.01120	0.7
153.01930	13.2
154.02548	0.6
167.03477	2.4
168.00642	62.0
168.04274	7.1
169.01338	5.3
169.05023	2.1
313.05676	7.1
331.06702	100.0
332.07095	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	331.1036
Annotation	1beta-(3-Hydroxy-4,5-dimethoxyphenyl)-O-glucopyranoside
Peak:m/z	Relative Intensity
64.98454	0.4
69.56557	2.7
70.67006	0.4
71.01382	1.6
73.04076	0.5
82.00591	0.6
84.00909	2.9
85.02972	2.7
89.02459	0.5
94.63834	0.5
101.02438	0.8
103.05933	0.5
110.00096	6.5
113.02460	2.6
114.01945	0.5
118.64570	0.5
123.04527	0.5
124.01704	0.6
125.02435	6.9
126.01961	0.6
126.05608	0.5
137.02493	0.6
137.99580	8.5
138.03242	1.0
139.00362	2.0
140.01175	0.9
151.00348	0.8
151.04030	0.7
152.01163	2.5
153.01935	100.0
154.02457	4.7
155.03499	2.2
161.04541	1.3
166.02725	1.1
167.03488	10.4
167.86528	0.5
168.04277	53.3
169.05029	8.3
169.06364	1.0
170.05421	0.4
179.03558	0.5
191.03499	1.1
196.03912	0.6
204.05252	0.5
207.19231	0.5
209.04572	0.8
211.07234	1.5
236.87730	0.5
279.99722	0.5
331.06741	0.9
331.10376	2.8
331.16644	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07244	1.8
51.21421	1.6
59.01380	25.3
61.94433	2.1
69.60515	12.7
71.01396	14.8
73.02965	2.5
82.25044	2.0
83.01396	3.3
85.02963	3.4
87.00864	2.3
88.18330	2.0
89.02481	2.2
97.44981	1.8
99.00886	3.4
101.02454	9.7
105.56559	1.8
108.02177	100.0
109.02982	15.5
112.20287	2.1
113.02447	4.8
113.50666	2.3
123.04564	2.7
125.02525	4.6
133.05075	7.9
150.05602	3.2
151.00415	2.3
151.04027	6.6
151.05965	3.9
152.03581	2.3
153.01988	2.9
161.04549	20.4
163.04138	2.4
168.04356	3.2
169.01463	3.4
211.02472	3.0
271.08279	10.1
308.43723	2.9
313.11295	3.6
331.06808	4.4
331.12097	2.4
332.19919	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	331.1185
Annotation	Epicatechin 5,7,3'-trimethyl ether
Peak:m/z	Relative Intensity
55.01880	1.5
56.78439	1.2
56.81744	1.5
57.03429	1.5
59.01381	25.4
71.01382	24.5
72.99305	1.7
73.02935	4.2
83.01391	2.4
85.02962	6.7
87.00903	2.3
89.02444	15.0
95.01411	1.8
99.00857	1.9
101.02451	14.9
109.02961	1.7
109.58949	1.3
113.02463	13.4
119.03498	3.0
119.05068	2.0
123.04412	1.6
135.04546	3.7
136.01694	2.8
138.89304	1.3
147.04512	2.0
159.02844	1.4
161.04547	5.6
165.01892	2.9
165.05559	7.4
170.24387	1.2
171.04482	3.3
179.03461	5.3
180.04317	2.2
183.04437	1.8
195.05045	1.5
195.06610	7.9
199.04001	32.4
200.04585	3.7
211.03998	3.8
212.04712	3.4
213.05582	5.8
214.06284	1.3
223.03970	1.5
225.05493	2.2
227.03497	26.1
228.04094	5.0
239.03484	2.8
240.04266	11.6
241.05037	4.8
242.05794	6.4
243.06601	4.1
251.03394	2.6
253.04962	1.9
255.02956	14.9
255.06647	9.0
256.03659	3.0
256.07156	2.9
257.08060	1.7
261.73532	1.3
268.03793	9.0
269.04416	2.8
270.05325	35.3
270.08911	12.7
271.06064	20.9
271.09042	1.7
283.06097	11.3
283.09354	2.6
285.07678	100.0
286.04807	4.9
286.08224	14.2
298.08572	6.1
300.10019	91.4
301.07141	7.5
301.10638	22.6
302.11310	1.6
313.07416	1.7
313.10889	3.9
316.09485	13.6
327.70828	1.4
331.08105	1.4
331.11813	24.5
347.89618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.9
57.03439	1.3
58.00589	1.3
59.01381	31.6
69.24958	12.2
69.25276	2.9
70.46146	1.2
71.01385	32.9
72.99291	1.4
73.02934	6.6
83.01401	3.4
85.02959	9.2
87.00859	1.4
89.02444	17.2
89.24715	1.2
95.01408	3.0
99.00880	3.2
101.02455	17.7
108.02255	1.4
113.02457	12.9
119.03527	6.2
119.05050	2.0
123.00891	1.3
125.02457	2.8
135.04521	6.1
143.03470	1.3
147.04495	2.0
152.91704	1.1
159.03003	2.5
161.04541	7.5
165.01913	3.5
165.05547	6.8
171.04544	2.5
179.03488	4.5
180.04280	4.0
183.04475	2.6
195.06639	7.5
199.02179	2.0
199.03998	30.9
200.04526	3.3
210.03320	1.4
211.04045	4.6
212.04770	2.9
213.05563	4.7
214.06273	1.5
215.07167	1.4
217.05092	1.4
225.05653	2.1
227.03513	25.6
227.06961	1.8
228.04059	5.8
229.04831	1.4
230.10875	1.3
231.02945	1.3
239.03389	2.4
240.04243	11.3
241.04988	4.7
242.05818	4.6
243.06641	4.2
255.02968	14.3
255.06622	10.8
256.03659	3.3
256.07101	1.3
257.04501	2.3
257.08209	2.5
268.03754	7.7
269.04315	1.5
269.08105	1.9
270.05338	38.8
270.08960	10.9
271.06055	21.7
271.09061	2.0
272.06656	1.4
283.06091	13.3
283.09335	2.0
284.06586	1.5
285.07684	100.0
286.04807	6.1
286.08221	13.1
287.09128	1.4
298.08444	8.3
300.10037	89.9
301.07144	10.0
301.10690	24.7
302.10941	2.1
313.10773	3.1
316.09500	11.8
317.09839	1.4
331.08255	1.4
331.11829	25.4
331.17801	1.9
332.12219	2.6
334.22275	1.2
345.16623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.4
55.03066	0.9
57.03455	5.7
58.00590	2.7
59.01381	56.6
64.54207	0.9
68.69183	0.8
69.22411	10.1
71.01383	100.0
72.01706	1.6
72.99288	3.6
73.02953	31.4
74.02464	5.7
74.44695	1.1
75.00907	1.2
79.24281	0.8
81.07078	1.7
83.01385	11.5
85.02955	36.9
86.00114	1.5
87.00854	6.3
89.02449	26.0
95.01394	8.1
97.02964	2.1
97.06593	1.8
98.20598	2.1
99.00878	13.8
101.02444	67.3
102.02779	1.8
113.02455	38.5
119.03506	10.6
125.02461	3.3
131.03441	1.6
134.51048	0.9
139.00368	0.9
143.03500	4.2
149.04512	1.0
149.79521	0.9
159.02998	8.3
159.06667	1.8
161.04558	35.5
166.12367	1.7
169.12309	1.1
179.05647	1.4
196.13451	2.5
199.03990	1.0
221.71838	1.1
253.15578	11.2
279.13474	1.1
285.07785	2.2
297.14532	17.0
298.14743	1.7
305.35486	1.0
331.13220	2.9
331.17612	8.1
341.01770	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1762
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
52.69270	0.8
53.11824	0.7
55.01870	3.3
57.03453	2.6
58.00600	5.2
59.01382	100.0
60.45682	0.7
61.25715	0.8
64.07127	1.0
69.35435	3.8
69.35847	2.7
71.01386	92.8
72.01720	1.9
72.99315	4.7
73.02953	11.6
75.00903	1.4
83.01393	7.0
85.02953	21.9
87.00886	3.2
89.02449	74.8
92.79728	0.8
95.01405	6.5
95.05030	1.4
97.02972	1.0
99.00877	4.3
99.04528	1.4
101.02449	56.1
102.02795	1.4
108.02126	1.2
113.02456	30.8
119.03506	29.2
122.61014	0.9
123.04590	1.1
125.02460	2.8
131.03514	2.0
135.04524	0.9
143.03499	3.1
149.02493	1.6
149.04543	1.7
159.03026	1.5
161.04550	11.2
167.03490	3.0
169.12259	0.8
179.05623	2.7
203.00415	0.8
206.21085	1.0
209.04544	4.0
225.23174	0.9
313.07321	1.2
331.08130	3.3
331.11871	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37739	0.8
50.40411	0.7
55.01874	2.9
57.03445	2.2
58.00594	4.4
59.01380	100.0
71.01384	79.0
71.56583	1.6
72.01698	1.4
72.99316	6.2
73.02946	5.4
76.11145	0.9
83.01375	5.3
85.02945	16.5
87.00857	4.1
89.02444	74.2
90.02773	1.3
95.01388	6.7
97.02961	1.2
99.00871	3.3
101.02444	42.9
102.02771	1.3
108.02156	0.9
108.04588	1.1
113.02451	29.7
119.03506	29.1
119.04185	0.6
120.03860	0.8
125.02445	2.4
131.03516	2.2
139.00340	0.8
143.03490	3.2
149.04546	1.5
151.00449	1.1
153.01852	1.3
159.03056	1.1
161.02509	1.3
161.04543	5.5
164.07190	1.0
169.12375	1.1
179.03444	1.0
179.05627	2.3
191.05634	1.6
208.00124	1.2
241.96434	0.9
300.10294	1.1
331.12228	1.9
331.17456	3.0
339.18542	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	10.4
57.03444	6.3
58.00592	1.8
59.01379	44.1
60.31758	0.7
64.25028	0.9
67.01913	0.8
69.03448	0.9
70.47829	0.7
70.89933	0.7
71.01381	100.0
72.01712	1.9
72.99307	2.8
73.02947	36.5
75.00884	1.3
80.43803	0.8
83.01387	17.0
85.02950	53.9
86.03313	1.0
87.00894	3.9
89.02432	6.4
95.01389	8.0
97.02957	3.4
98.20641	2.6
99.00880	16.9
101.02442	80.0
102.02797	2.6
107.47865	0.7
111.00810	0.9
113.02444	45.4
114.02761	1.1
125.02428	3.0
129.01958	1.7
139.80734	0.8
143.03493	3.6
159.02995	11.4
159.67456	0.8
161.04552	55.5
162.04910	1.7
182.99651	0.8
189.16484	0.7
199.03899	0.8
205.03450	1.0
229.17740	0.8
285.07745	1.2
331.17584	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	331.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.1
57.03448	5.1
58.00594	1.1
59.01381	34.4
69.03450	1.1
71.01382	100.0
72.01724	1.8
72.99312	2.5
73.02946	29.1
75.00839	1.3
83.01386	13.1
85.02950	46.0
86.03279	1.6
87.00874	4.1
89.02451	12.1
95.01378	8.8
97.02962	2.8
99.00882	13.3
101.02444	57.4
102.02789	0.8
113.02448	38.7
114.02813	1.3
119.03504	2.0
125.02445	2.5
129.01974	1.8
143.03523	3.4
150.03207	1.1
159.02980	9.6
161.04555	31.5
162.03166	1.2
162.04904	1.3
163.00377	1.5
163.03979	1.5
165.01953	0.7
173.11826	1.1
178.02591	1.0
204.56056	0.7
205.03581	0.9
206.02214	1.6
254.37279	0.7
270.05692	0.8
273.07745	1.5
285.07941	1.0
300.02502	0.7
313.07147	1.1
331.08273	6.2
331.12134	2.0
331.17480	3.2
332.08530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0615
Annotation	3,5,7,3',4'-Pentahydroxy- 6'-hydroxymethylflavanone
Peak:m/z	Relative Intensity
63.02391	3.1
65.00317	5.8
77.28909	0.7
83.01392	2.8
91.80871	0.8
93.03443	2.2
107.01395	10.9
108.02156	0.8
113.28382	0.7
115.20717	0.6
117.03465	4.4
123.00863	1.2
123.04531	1.3
124.01594	0.8
125.02362	1.4
132.02158	1.8
135.00822	0.9
137.18813	0.8
140.50459	0.7
141.03502	0.9
143.04944	1.2
150.99182	1.8
151.00369	29.5
152.01147	8.8
155.05095	0.8
159.04478	2.0
163.00334	1.0
167.03499	2.2
167.04889	1.2
169.01399	1.9
171.04520	0.9
171.33763	1.0
178.99902	7.1
180.00410	0.9
182.03748	1.6
183.04494	9.3
184.04839	1.4
187.03993	1.0
195.03003	1.3
211.04059	4.5
212.04547	1.0
213.05615	2.1
227.03484	18.9
228.03987	1.6
229.04926	1.6
239.03519	4.1
240.04274	2.8
241.04816	1.4
255.02982	80.9
256.03586	17.1
257.04462	4.1
283.02487	36.9
284.03232	58.8
285.03912	17.9
287.05438	0.8
315.05087	100.0
316.05518	10.0
333.06152	11.8
334.06400	2.0
348.75500	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	5.0
59.01382	100.0
61.98824	3.7
64.05997	3.1
66.01921	3.4
66.47617	3.0
71.01381	72.7
71.56329	4.6
72.99321	6.3
73.02949	6.6
83.01376	4.8
85.02963	16.8
87.00892	9.3
89.02448	71.3
93.03469	5.2
95.01384	8.6
97.06557	4.0
99.00883	5.5
101.02447	47.1
109.06628	3.7
113.02442	28.9
115.20035	3.4
119.03515	33.1
119.05030	3.1
123.83759	3.4
127.07635	5.5
135.04550	9.6
137.06096	7.7
143.03506	6.1
153.05582	31.5
161.04602	8.2
214.30255	2.8
221.72246	3.0
277.19254	3.1
315.11096	4.1
333.05704	6.4
333.11978	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	335.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03449	2.2
58.00578	3.3
58.73148	1.0
59.01380	90.5
59.16649	1.1
60.01714	1.0
61.98820	2.2
69.68079	5.5
71.01383	52.6
72.99310	4.2
73.02937	1.9
74.99096	0.9
83.01377	3.3
85.02948	9.8
87.00883	2.5
88.72527	1.0
89.02446	49.6
95.01381	4.7
98.20619	1.8
99.00916	1.1
101.02441	41.1
104.03539	2.7
105.03832	1.3
108.24996	0.9
111.08163	1.8
113.02447	21.1
119.03498	25.2
131.03528	1.8
137.06096	4.7
137.69054	1.0
141.76967	1.0
143.03473	2.2
146.57793	0.9
147.43687	1.0
149.04578	1.3
153.06583	1.1
155.07143	14.6
161.04518	2.9
173.08153	5.5
179.05618	2.2
298.20633	1.1
335.13452	100.0
336.13831	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	335.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03438	3.6
58.00589	2.5
59.01381	63.7
60.01695	1.5
61.98832	7.6
69.96838	7.3
71.01384	35.5
71.59726	1.4
72.99302	3.1
73.02934	3.5
73.48374	1.3
83.01395	3.5
85.02953	8.2
87.00870	3.3
89.01923	3.0
89.02447	33.7
95.01382	3.5
98.20605	1.7
99.00867	2.9
101.02438	26.3
111.08156	2.7
113.02468	13.8
118.82554	1.4
119.03522	11.4
119.99110	1.3
131.03482	2.1
137.06082	22.3
143.03535	3.0
154.86655	1.3
154.99867	1.7
155.05908	3.0
155.07152	61.7
156.07486	3.3
161.04529	3.7
173.08109	6.1
179.05563	1.9
335.13452	100.0
336.13937	8.9
348.68292	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
75.00872	100.0
76.01204	0.8
86.54381	0.7
219.08427	0.8
277.21677	23.5
278.22192	2.5
335.17728	1.8
335.22281	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	336.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70255	1.6
57.03440	6.2
59.01371	6.2
60.47923	2.0
61.98832	100.0
63.40524	1.9
67.01860	1.8
68.75929	1.8
70.86959	4.5
84.02167	2.1
85.02949	60.9
111.00855	2.9
114.11290	1.7
115.00404	2.1
117.03456	4.4
119.05022	14.9
145.02957	22.1
147.02962	6.9
155.83371	1.9
163.04022	9.2
172.28665	1.9
191.01981	30.6
231.06613	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	336.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.5
71.01381	4.1
71.06699	1.9
71.53261	1.6
73.91929	1.8
79.95728	2.1
89.02425	2.6
91.05534	16.3
113.02461	2.4
115.05573	2.6
117.81416	1.8
122.02479	7.4
130.08743	89.3
131.09081	4.2
136.62056	2.1
140.07198	2.4
156.06622	3.3
161.06143	2.5
163.04039	9.3
165.07938	48.7
166.08287	4.4
172.09828	9.5
177.38509	1.9
182.08165	1.9
186.05573	17.3
187.03986	6.2
187.05734	2.3
199.06381	94.8
200.06755	7.2
204.06720	4.1
204.99069	1.7
214.12271	3.0
232.13403	6.6
240.67685	2.0
256.13425	37.8
257.08173	2.4
257.13733	4.3
258.11292	14.7
300.12402	100.0
301.12747	12.9
318.13498	16.1
336.15335	2.2
337.07544	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30047	1.2
55.01867	1.7
57.03445	12.9
59.01381	34.3
67.01898	2.8
68.99848	2.0
69.03452	1.7
71.01379	12.3
71.56535	2.9
72.13362	1.3
72.99313	3.2
73.02962	1.7
79.95757	1.5
80.11357	1.4
83.01357	3.9
84.02177	2.8
85.02950	100.0
86.03288	2.3
87.00874	3.9
89.02446	3.8
90.98874	1.3
93.03461	10.2
99.00858	3.5
101.02422	4.3
103.00380	1.3
104.63972	1.4
111.00863	15.5
113.02438	4.2
115.00361	2.0
117.03474	4.6
119.05019	23.3
125.02358	1.6
128.15170	1.4
129.01942	8.4
145.02945	21.8
147.02983	20.7
157.08705	2.6
161.04491	2.3
163.04004	34.5
164.04427	1.9
173.00883	4.9
173.04509	4.1
174.01680	1.5
175.04034	2.1
179.05545	1.8
191.01968	33.9
191.05595	44.5
192.05957	2.6
197.06044	3.1
216.37296	1.4
224.04736	1.8
225.05656	3.6
231.06760	1.5
238.19002	1.3
331.88718	1.6
337.03781	1.6
337.07938	4.6
337.15076	6.8
337.18585	1.4
338.16003	3.3
338.63992	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36316	0.5
52.95713	0.6
53.16444	0.5
53.66413	0.6
59.01361	2.3
69.30623	5.1
71.01382	1.1
77.03972	0.7
83.01398	0.6
83.17266	0.5
85.02944	2.0
87.00883	5.5
93.03444	1.0
95.60618	0.5
105.03419	0.6
107.05035	18.1
108.05363	0.7
111.00921	0.9
115.00354	2.2
121.02950	4.4
133.02959	0.6
134.03746	0.7
135.04512	4.8
147.00885	0.7
151.04013	1.3
157.01440	2.1
160.01672	1.2
172.86273	0.5
174.01738	0.6
175.04004	3.3
179.03496	100.0
180.03836	5.2
337.08496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0695
Annotation	Thiazostatin A
Peak:m/z	Relative Intensity
57.03435	1.6
59.01381	27.9
61.98829	3.0
68.99830	2.3
69.03456	2.2
70.57296	1.9
70.83077	2.5
71.01379	10.3
73.02970	2.3
75.00833	3.5
83.01378	3.7
85.02951	21.2
87.00880	10.8
89.02457	3.5
95.01372	1.8
99.00840	4.9
101.02425	5.5
104.15444	1.5
111.00870	5.9
113.02463	7.5
113.99577	15.7
115.00391	15.3
119.05064	2.9
121.03008	1.6
127.00343	2.5
129.01941	2.7
139.00308	2.3
139.03995	6.3
145.04099	1.9
147.02928	4.3
157.01443	4.0
161.04491	1.7
163.03981	3.1
174.01707	17.5
175.02388	5.7
176.77238	1.5
180.40688	1.5
277.05634	14.1
337.07730	100.0
338.07977	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86553	0.6
55.91109	0.6
57.69890	0.6
59.01376	4.5
68.99823	1.8
69.03453	0.8
69.60965	3.5
71.01379	4.6
72.99305	1.0
73.02939	1.2
75.00862	2.8
78.57388	0.6
80.34179	0.5
83.01376	2.5
85.02957	4.4
87.00875	8.6
89.02464	1.4
93.06676	0.6
95.01414	1.3
97.02982	0.9
99.00862	3.2
99.90827	0.6
101.02428	1.9
111.00887	2.1
113.02448	4.7
113.99586	11.8
115.00374	16.7
115.36583	0.6
127.00378	1.7
129.01941	1.6
135.02965	0.7
139.00369	1.0
141.01942	1.2
157.01419	3.7
169.01436	1.0
174.01697	23.9
175.02414	3.2
277.05649	14.1
278.05881	1.0
332.13513	0.7
337.07751	100.0
338.08148	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	337.0774
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
53.15345	0.2
55.01870	0.5
57.03434	0.7
59.01106	0.3
59.01383	4.3
68.99535	0.2
68.99824	2.9
69.03453	0.5
69.76673	1.3
71.01387	5.0
71.30022	0.2
72.99310	0.7
73.02954	1.3
75.00865	1.7
77.79455	0.2
83.01381	1.8
85.02952	5.1
87.00880	7.8
89.02470	1.3
95.01421	1.3
97.02955	0.8
99.00894	4.0
100.01220	0.3
101.02460	2.4
111.00867	2.5
112.98775	0.3
113.02454	5.5
113.99592	16.8
115.00383	14.8
115.01234	0.5
117.01959	0.3
119.03501	0.3
125.02451	0.6
127.00389	2.6
129.01942	2.0
131.03519	0.4
139.00403	1.7
141.01918	0.8
157.01422	4.5
169.01416	1.6
174.01694	18.4
175.02487	3.2
188.18658	0.3
277.05649	17.5
278.05963	0.9
337.07764	100.0
338.08112	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	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
57.95442	0.7
59.01374	4.3
68.99812	3.1
69.61366	3.5
69.61777	1.7
70.50361	0.7
71.01377	5.5
73.02955	2.3
75.00879	1.8
83.01382	2.5
85.02956	11.3
87.00887	5.0
95.01370	1.7
96.99336	0.7
97.02954	0.8
99.00871	5.8
101.02422	2.1
111.00880	2.1
113.02451	6.3
113.99583	19.7
115.00380	13.1
116.00729	0.8
119.05037	3.2
127.00383	3.5
129.01930	4.4
141.01888	0.8
145.01521	0.7
145.02946	1.4
157.01466	6.5
157.02599	1.3
163.03998	3.4
169.01419	1.7
174.01688	18.6
175.02399	2.8
191.02092	1.4
259.68576	0.7
277.05637	21.9
277.08643	1.6
278.06018	1.3
320.23669	0.9
326.86475	0.9
337.07742	100.0
338.08197	8.6
347.91373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03441	3.6
57.60835	0.6
59.01104	1.2
59.01382	20.2
61.98827	3.0
62.84850	0.6
67.01888	0.9
68.07613	0.7
69.46346	1.8
69.46772	3.4
71.01384	5.8
73.02940	2.1
75.00883	0.8
83.01358	1.1
83.05016	1.2
85.02953	21.9
87.00876	2.9
89.02443	3.1
93.03455	7.6
98.13524	0.6
99.00879	2.4
101.02446	4.8
111.00887	4.2
111.04568	3.6
113.02443	3.0
115.00390	0.9
117.03413	1.0
119.05026	57.2
120.05363	2.9
123.04469	0.7
127.04028	1.2
129.01970	4.3
129.09241	1.1
132.55608	0.7
144.03061	0.9
145.02924	3.7
147.03047	3.4
155.03525	2.3
157.08687	1.6
161.04591	1.8
161.35007	0.7
163.04008	100.0
164.04330	5.6
173.00929	1.0
173.04547	6.5
175.09726	2.0
191.02013	5.3
191.05609	37.4
192.05917	1.4
197.06070	1.9
224.04803	0.7
225.05711	1.7
225.67506	0.6
237.09747	0.9
239.07188	0.8
277.12878	1.1
337.03909	0.9
337.09003	3.2
337.15021	11.7
338.15729	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03447	0.3
59.01369	1.4
67.01891	0.9
68.86547	0.2
69.03442	0.3
69.39801	1.6
71.01387	0.9
73.02959	0.3
81.03450	0.3
85.02952	8.4
87.00866	2.0
93.03460	6.5
94.03787	0.4
99.04520	0.5
109.02949	0.9
111.04508	1.4
119.05025	2.8
127.03999	1.8
129.01955	0.6
145.02940	1.2
163.04001	2.5
171.03064	0.3
173.04544	2.1
191.05608	100.0
192.05946	4.3
248.69872	0.2
250.22130	0.3
254.05411	0.3
337.09372	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	337.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
60.10262	0.6
66.41500	0.6
79.95692	0.6
111.00105	0.5
111.00888	0.7
123.04454	0.8
143.79584	0.6
145.02930	1.2
151.34071	0.7
161.02376	0.9
162.03287	1.4
169.06615	0.8
171.04514	0.7
173.43118	0.6
177.05527	3.6
179.08577	0.7
182.87489	0.6
195.08156	1.8
197.97101	0.7
205.06508	0.9
206.07387	1.8
207.08157	6.0
208.05295	0.9
209.05957	1.1
217.06497	1.5
221.05952	1.3
222.06799	1.7
223.07590	4.8
233.06093	2.2
234.06873	3.3
235.04008	1.6
235.07602	12.4
236.07953	1.4
237.05505	2.2
245.05984	0.7
245.24300	0.6
248.04868	0.8
249.05573	1.0
250.06320	3.3
251.07112	12.4
257.08182	1.0
261.05637	1.4
262.06354	2.8
263.07108	6.8
263.65970	0.6
264.07703	1.3
266.09491	5.2
277.04922	0.8
278.05832	2.9
279.06619	84.1
280.06964	8.1
289.05212	1.5
290.05878	2.7
291.06628	35.5
292.07294	11.5
293.08060	3.4
294.08990	8.6
295.09177	0.8
305.08124	5.0
306.05972	0.7
306.08945	28.9
307.06134	100.0
307.09503	8.7
308.06488	9.5
321.07700	13.3
322.08432	55.5
323.08777	5.8
337.10818	55.2
338.11075	7.5
351.26767	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91201	0.4
59.01372	2.0
68.81986	0.4
70.05398	1.1
70.05810	1.4
71.01410	0.6
74.27550	0.4
77.76721	0.4
79.05534	0.6
80.02680	1.8
86.44091	0.4
93.03461	100.0
94.03791	2.7
95.05033	10.7
95.57877	0.5
96.05369	0.5
96.15128	0.5
108.02156	1.6
111.00878	0.9
123.04489	1.0
145.02943	0.8
145.98506	0.5
167.05026	1.2
167.54868	0.5
169.06575	7.1
170.07231	0.6
171.08151	1.4
173.02441	0.7
173.09744	1.8
189.09187	0.7
189.85504	0.5
195.08162	0.9
209.09688	0.8
211.07600	0.5
213.05629	3.6
213.53683	0.5
214.05937	0.5
222.06831	1.2
223.07660	7.3
247.11356	1.3
249.12825	5.1
250.06444	0.9
250.13162	0.7
251.07098	0.8
263.10672	0.7
265.12314	8.1
266.12662	0.6
275.10883	1.1
278.09494	2.0
279.06631	0.5
284.76453	0.6
293.11838	32.6
294.12180	4.2
307.06073	0.6
337.10934	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01379	100.0
68.99794	2.1
70.68819	3.0
70.88190	1.2
71.01368	2.2
71.33112	1.2
83.01391	1.5
85.02956	17.7
87.00891	1.6
93.03451	1.6
96.99356	1.5
111.00895	10.8
115.00387	1.6
115.60323	1.3
119.05022	5.4
129.01915	1.9
145.02925	3.1
160.01642	2.5
163.03969	3.5
169.47774	1.2
173.00920	4.5
173.04497	1.6
175.02509	1.5
175.03963	3.7
179.03503	5.9
180.03944	1.4
191.01965	4.5
191.03671	1.6
191.05569	7.5
209.04500	2.1
242.51605	1.4
337.09634	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	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01380	60.2
60.01708	0.7
60.99292	1.3
67.01888	4.2
67.95179	0.7
68.24976	0.7
68.76481	0.6
68.99819	3.1
69.03449	1.5
69.60509	4.3
71.01378	2.4
81.03426	0.9
83.05030	0.8
85.02950	15.7
87.00874	7.4
93.03461	26.4
94.03778	1.0
96.99319	3.9
99.00874	0.7
99.04524	1.0
107.05014	3.0
109.02950	0.7
111.00887	1.9
111.04505	3.6
117.03462	0.8
119.05035	15.0
120.05323	0.8
127.04024	2.1
129.01938	2.1
135.04512	1.2
137.02417	1.1
145.02986	3.7
159.04517	0.8
161.02441	3.2
163.04005	15.6
164.04324	1.1
164.48541	0.7
165.43906	0.8
167.58263	0.7
173.01071	1.0
173.02409	3.0
173.04549	22.5
174.04854	1.1
179.03484	16.2
179.04958	1.3
180.03893	1.3
182.12222	0.7
183.95288	0.6
191.01942	2.8
191.05609	100.0
192.05931	4.7
201.01935	0.9
215.03398	1.1
284.32352	0.7
320.81451	0.8
337.05664	9.4
337.09146	2.7
338.05878	1.2
338.09326	0.9
338.12732	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.8
57.03449	5.9
59.01378	7.6
60.20889	1.1
61.98838	1.2
69.03452	3.6
71.01376	4.0
72.99296	5.9
73.02959	1.5
75.00853	3.3
83.01392	4.2
85.02953	43.4
86.03242	1.3
87.00871	1.8
93.03452	2.9
95.01382	1.5
96.95987	1.9
98.20628	5.2
99.00883	11.6
101.02424	5.6
101.41187	1.2
104.35425	1.1
109.02973	1.5
110.50732	1.2
111.00872	1.6
113.02412	5.5
117.01875	2.0
119.05060	6.2
129.01929	2.8
131.03502	100.0
132.03824	2.9
133.02921	2.7
133.06557	1.6
156.42607	1.2
157.01379	2.1
161.04568	1.5
163.03964	7.6
175.02472	17.1
177.01915	4.5
177.04033	5.2
179.03508	1.4
191.03500	1.4
192.06024	1.8
193.03511	25.8
193.06067	3.7
197.06081	3.3
202.95676	1.6
225.05519	3.4
239.07028	1.7
283.63525	1.3
339.03510	3.8
339.11032	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	339.0873
Annotation	Piperphilippinin IV
Peak:m/z	Relative Intensity
59.01377	18.7
69.59119	5.9
71.54635	8.0
72.22948	5.3
109.32575	5.3
121.02948	58.8
126.90498	10.8
135.04466	8.0
147.04509	78.0
162.78360	6.3
170.55232	5.5
183.01202	33.6
193.10201	38.5
207.08124	9.3
207.11761	11.8
221.09637	8.3
223.07715	10.5
251.07179	15.3
251.10796	20.3
295.09799	83.2
296.09985	6.8
309.07748	13.0
324.10196	8.6
339.08743	100.0
339.12048	5.9
339.16071	54.2
339.19916	8.0
340.09210	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	339.1235
Annotation	Obovaten
Peak:m/z	Relative Intensity
50.55614	0.4
55.55649	0.5
59.01381	0.8
60.39539	0.5
61.61119	0.5
64.80901	0.6
71.57043	0.8
75.73558	0.5
77.06293	0.8
133.05083	1.1
145.02959	4.5
157.03024	0.7
163.04044	1.8
171.04507	0.7
179.07166	1.7
179.08665	1.2
191.08690	1.6
193.06606	1.4
195.08165	0.8
196.08992	0.7
196.67244	0.6
197.09749	0.7
205.05110	1.9
207.08206	2.3
217.06665	2.8
218.07332	1.2
219.08118	2.7
220.05263	1.3
221.06096	3.6
222.06696	0.8
223.07767	1.8
224.04753	0.9
225.05565	1.2
225.09221	2.2
233.04247	3.0
234.06819	2.4
235.07663	8.6
236.08092	0.7
237.05678	0.8
237.09192	1.9
238.06264	0.7
239.07129	1.5
245.06123	2.5
246.06781	1.9
247.07706	2.3
251.07169	1.6
252.08046	1.5
253.05138	0.9
253.06030	0.9
253.08661	5.8
254.09065	0.7
262.06326	2.3
263.07123	20.1
264.07654	2.3
265.08563	1.5
268.11050	2.2
274.06412	1.3
275.07227	2.6
276.07874	0.9
277.08664	0.6
277.45547	0.6
279.06863	0.8
280.07474	2.2
281.08200	29.6
282.08453	2.0
290.06042	0.7
291.06613	8.6
292.07263	2.9
293.08191	8.6
294.08893	3.9
295.09756	1.6
296.10513	3.8
305.08298	0.7
307.09894	4.5
308.07126	1.2
308.10568	6.0
309.07697	100.0
309.10925	4.7
310.08063	10.6
323.09256	20.5
323.13141	0.8
324.10016	67.8
325.10367	6.7
339.09378	2.1
339.12357	55.4
340.12683	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	339.1235
Annotation	Obovaten
Peak:m/z	Relative Intensity
61.54646	0.6
69.23750	1.0
69.24158	5.0
95.74725	0.6
117.03485	0.7
121.02985	0.7
125.04831	0.6
131.79048	0.7
134.21848	0.6
134.71214	0.6
136.54730	0.6
145.02974	3.6
146.03737	0.8
163.04007	2.0
179.07162	1.6
191.08728	1.3
193.06549	0.8
195.08090	0.9
197.09634	0.7
204.05969	0.8
207.08054	3.3
217.06573	2.7
218.07332	1.5
219.08080	3.3
220.05215	0.8
221.06075	3.5
223.07614	1.4
224.04814	1.4
225.05495	1.1
225.09167	0.9
233.06065	2.3
234.06798	1.4
235.07593	8.6
236.08087	1.2
237.09219	1.7
238.45207	0.6
238.47699	0.6
239.07216	1.5
245.06067	2.8
246.06786	2.7
247.07603	2.5
251.07063	1.4
252.07904	1.0
253.05013	0.9
253.08665	6.6
262.06357	2.2
263.07111	19.7
264.07547	3.0
265.08624	1.5
267.10403	0.6
268.11078	2.0
273.05576	1.0
275.07053	1.5
276.07983	0.8
279.06870	0.9
280.07358	2.5
281.08173	30.4
282.08478	2.8
291.06598	7.9
292.07309	3.3
293.08121	9.2
294.08896	3.3
295.09628	1.5
296.10593	4.7
306.08813	1.4
307.09772	2.8
308.07068	1.3
308.10535	6.8
309.07684	100.0
309.10913	4.5
310.07965	9.3
323.09225	20.7
323.13062	0.9
324.10001	67.4
325.10391	6.3
339.12344	59.3
340.12711	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	339.1235
Annotation	Obovaten
Peak:m/z	Relative Intensity
52.66848	0.5
55.13786	0.6
59.01411	1.3
60.47523	0.5
71.56644	0.7
78.42443	0.5
78.43949	0.5
83.09658	0.5
91.57675	0.5
117.03490	1.1
118.84808	0.5
135.04521	0.6
145.02939	3.8
163.04063	1.7
164.33823	0.7
179.07140	1.0
191.08730	1.3
195.08214	0.9
196.09067	0.7
207.08202	3.0
208.05330	0.5
208.08942	0.5
209.06172	0.9
217.06586	1.5
218.07478	1.0
219.08141	2.6
220.05339	1.4
221.06111	2.7
223.07664	1.5
224.04826	1.1
225.05588	0.5
225.09187	1.6
227.07068	0.5
233.06071	2.2
234.06818	1.9
235.07625	5.9
236.08255	1.6
237.05608	1.0
237.09221	1.4
239.07240	1.6
245.06033	3.4
246.06787	1.5
247.07640	1.7
251.07208	1.9
252.07849	1.4
253.08791	5.0
254.12650	0.5
259.09760	1.1
261.05582	1.0
262.06363	2.3
263.07108	17.5
264.07568	2.4
265.08762	1.7
268.10977	2.6
273.05594	1.3
274.06198	1.2
275.07074	2.2
276.07840	1.5
277.08640	0.6
279.10461	0.7
280.07355	2.9
281.08197	29.0
282.08517	3.0
290.05936	0.9
291.06610	7.7
292.07306	2.9
293.08200	8.5
294.08994	3.4
295.09314	1.0
296.10571	3.0
303.12500	0.7
306.09174	0.8
307.09830	3.4
308.06860	1.5
308.10507	5.3
309.07687	100.0
310.08011	11.1
310.11530	1.2
321.13474	1.6
323.09229	26.9
324.10001	68.2
325.10361	7.7
339.12347	59.1
340.12680	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
82.20737	0.6
106.25842	0.5
107.53168	0.6
114.29721	0.6
124.54894	0.7
126.57879	0.5
163.11285	100.0
164.11613	6.5
194.98958	0.6
294.32968	0.7
339.23267	85.5
340.23593	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	341.0878
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
58.00583	1.3
59.01381	32.0
59.21956	0.9
62.91898	0.9
66.91927	1.0
69.45747	7.2
71.01377	20.2
72.99305	1.9
73.02978	1.1
75.00866	1.5
77.03988	1.4
78.73490	0.8
83.01385	0.9
85.02957	3.9
87.00876	1.9
89.02447	28.3
89.90298	0.9
95.01419	1.6
98.20592	1.9
101.02435	12.4
107.05031	19.0
108.05338	1.1
113.02454	8.5
119.03505	9.8
121.02943	4.8
135.02982	9.1
135.04504	4.7
143.03532	2.3
151.04015	1.9
161.02484	1.3
161.04532	2.9
161.05777	1.0
179.03497	100.0
179.05550	8.6
180.03780	6.1
184.51543	0.9
223.06117	1.4
341.10815	9.2
345.40579	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.5
71.01376	3.8
71.52332	1.6
72.99304	2.8
75.00871	30.3
76.01896	0.8
87.00875	1.4
89.02435	8.2
91.05536	3.2
101.02445	2.1
113.02419	1.0
113.61369	0.8
117.01880	1.3
118.09340	0.8
119.03516	1.6
133.06602	2.1
135.02998	100.0
136.03334	1.9
149.02414	1.0
149.04495	0.8
161.06026	2.5
163.04012	3.8
179.05634	0.9
200.40787	0.9
223.06133	6.8
341.10657	1.3
341.16217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.59101	0.3
55.90878	0.3
59.01102	0.6
59.01381	7.3
59.56199	0.3
69.51210	0.8
69.51610	1.9
71.01382	3.6
85.02946	0.8
88.61913	0.3
89.02441	3.1
93.23644	0.3
95.01417	0.3
101.02450	1.5
105.03470	0.7
113.02447	1.2
117.03490	0.4
119.03497	0.7
128.40231	0.3
132.02179	1.3
133.02959	26.5
134.03313	0.9
135.04514	7.6
149.06128	0.5
161.02443	100.0
162.02769	5.6
175.03979	0.4
177.05548	1.1
179.03497	17.0
180.03822	0.9
203.03511	2.2
221.04552	1.4
251.05615	1.2
281.06668	1.4
341.08731	9.0
342.09146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.5
61.40042	0.3
69.61771	0.8
69.62186	1.4
71.01383	6.2
72.99306	0.4
78.35529	0.3
82.17377	0.3
83.01382	0.4
85.02946	1.1
89.02447	5.8
91.12386	0.3
95.01350	0.5
101.02457	3.0
105.03516	0.5
113.02462	2.0
119.03468	2.1
123.79308	0.4
126.59731	0.3
131.03468	0.4
132.02173	1.3
133.02956	28.7
134.03329	1.3
135.04517	10.5
135.35995	0.3
136.04831	0.6
146.03662	0.7
149.04704	0.3
149.06058	1.1
161.02440	100.0
162.02777	5.1
164.04736	0.9
177.05591	0.8
179.03503	18.1
179.05527	1.4
179.07130	1.7
180.03839	0.7
186.69261	0.3
193.10133	0.3
203.03554	1.9
221.04555	1.2
251.05635	0.9
281.06683	1.4
341.08542	8.5
342.08850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1029
Annotation	Luzonidial A
Peak:m/z	Relative Intensity
51.07871	0.7
53.12602	0.8
54.47533	0.7
57.03444	1.1
58.00581	0.9
58.39052	0.7
59.01101	1.3
59.01383	22.7
71.01382	18.6
72.99320	0.9
74.10818	0.8
77.93741	0.7
85.02946	2.1
89.02448	22.8
93.03437	1.3
95.01376	0.9
101.02448	9.6
109.18489	0.8
113.02461	6.3
117.03471	4.5
119.03524	9.7
119.05029	100.0
120.05379	4.4
121.02980	1.0
125.72832	0.7
131.03508	0.8
132.05843	0.9
137.06175	0.9
141.19107	0.8
143.03490	2.7
145.02937	10.8
149.06041	0.7
150.03268	1.6
161.02446	1.1
161.04584	3.0
162.03241	1.1
163.04012	71.7
164.04355	4.0
165.05644	0.9
179.05608	7.7
179.07014	1.1
183.01247	6.0
239.07317	1.6
252.07959	0.8
282.09158	0.8
297.11426	2.1
341.10687	13.0
341.17740	9.5
341.27081	1.0
342.10995	1.0
342.18372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
58.00581	3.3
59.01381	100.0
60.01674	1.5
66.24653	1.3
67.23617	1.2
69.43176	7.1
69.43578	3.5
71.01383	73.0
72.99300	4.7
73.02945	2.8
73.28754	1.4
83.01386	2.1
85.02962	10.6
87.00870	4.8
89.02445	91.2
90.02788	2.2
95.01381	3.3
98.20721	1.5
101.01797	2.0
101.02443	28.4
113.02453	25.7
114.46533	1.5
119.03504	31.9
125.02396	1.7
126.83064	1.4
128.89342	1.6
131.03488	4.7
133.02963	16.4
135.04547	8.1
136.10498	1.4
143.03464	4.7
149.04578	2.3
151.30638	1.5
161.02446	70.4
161.04454	10.1
162.02763	4.2
163.03952	2.0
175.73888	1.5
179.03497	13.9
179.05580	30.3
180.05786	1.7
226.52333	1.4
281.06610	1.5
335.36731	1.5
341.11191	29.7
342.10626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.85760	0.4
52.09436	0.3
55.01880	1.1
57.03449	1.7
58.00587	3.3
59.01380	100.0
60.01712	1.4
69.29604	0.3
69.30276	3.3
69.30584	0.5
71.01382	68.6
72.01723	1.4
72.99318	3.1
73.02953	2.6
75.00855	0.5
83.01405	1.6
83.87408	0.4
85.02953	10.0
85.43775	0.4
87.00877	4.5
89.02445	81.8
90.02795	1.3
95.01395	3.7
97.02989	0.6
97.12216	0.5
100.19849	0.4
101.02445	33.2
102.02796	1.1
103.68400	0.4
113.02450	27.5
114.02769	1.1
119.03503	28.6
120.03876	0.8
125.02451	1.1
131.03497	5.1
143.03505	9.5
144.03784	0.6
149.04550	3.1
161.04558	9.0
179.05609	29.0
180.05956	1.5
341.10870	35.9
342.11258	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	D-(+)-Trehalose
Peak:m/z	Relative Intensity
57.03439	1.6
58.00591	3.0
59.01381	100.0
60.01717	1.6
69.48506	5.8
69.48885	1.9
69.54459	0.7
71.01385	66.3
72.01711	1.7
72.99321	3.3
73.02962	1.5
83.01391	1.4
85.02958	9.2
87.00880	4.7
89.02449	86.2
90.02789	1.2
95.01360	2.4
101.02451	29.9
113.02457	22.7
114.02737	0.9
119.03508	30.7
120.03801	1.1
125.02476	1.1
131.03522	4.9
143.03511	7.4
149.04541	2.9
161.04572	8.4
179.05611	29.0
180.06029	0.8
239.98422	1.0
269.47461	0.9
281.08884	0.8
334.26340	0.9
341.10901	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1089
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
51.47586	0.9
54.38879	0.8
56.53109	0.9
57.03452	1.5
58.00592	2.9
59.01381	100.0
69.57056	2.7
69.57471	3.7
71.01383	62.3
72.99312	2.1
73.02943	2.5
83.01389	1.9
85.02952	8.3
87.00885	3.3
89.02446	71.3
90.02739	1.1
95.01398	3.9
98.20757	1.0
101.02447	26.7
111.28597	0.8
113.02454	23.8
119.03503	25.3
131.03511	3.4
132.08266	1.0
133.02885	2.2
135.04520	1.0
143.03500	4.4
149.04562	1.9
158.18275	0.9
159.50818	0.8
161.02470	6.7
161.04555	7.2
179.03857	1.2
179.05597	24.0
211.38205	0.9
341.10901	29.4
342.11258	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.7
57.03447	3.0
58.00603	2.6
59.01382	69.9
63.84775	0.8
71.01385	49.7
71.56745	1.4
72.01749	0.9
72.99316	3.2
73.02946	2.8
75.00864	5.1
83.01394	3.0
85.02957	12.6
87.00898	3.5
89.02448	45.6
90.02825	1.3
91.05557	1.9
92.44588	1.0
95.01402	2.8
101.02444	24.5
113.02460	16.2
115.05561	3.1
117.07127	3.2
118.06596	5.1
119.03503	15.8
130.08769	3.0
131.03525	1.6
131.05019	9.4
133.06595	29.8
134.06969	1.9
135.03003	8.4
136.07660	5.0
138.95657	0.9
143.03534	3.7
149.04561	1.3
161.04636	2.5
161.06126	7.6
163.04012	1.5
164.04778	8.1
175.07582	1.2
179.05626	12.4
179.07109	78.6
180.06551	13.5
185.52304	0.9
221.08258	2.1
222.07904	1.3
254.75444	0.9
259.32687	0.9
260.80322	1.0
297.89999	1.1
313.19556	0.9
331.39160	1.0
340.90482	1.9
341.12448	100.0
342.12863	11.1
342.23984	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	341.1241
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
55.01881	1.7
55.29895	0.8
57.03445	1.7
58.00588	1.8
59.01383	61.7
62.53215	0.7
64.36211	0.7
66.20657	0.9
71.01382	39.5
72.99311	2.7
73.02946	3.8
75.00868	0.9
83.01389	2.6
85.02948	8.7
87.00871	3.8
89.02444	34.1
91.05540	2.5
95.01392	2.5
99.00884	1.2
101.02452	20.5
103.04279	3.2
106.06625	0.9
113.02454	12.4
115.05524	3.1
117.07108	3.1
118.06636	9.3
119.03510	12.7
120.03848	1.0
130.08755	3.0
131.03537	1.3
131.05028	6.2
131.14076	0.8
133.06599	27.8
134.06966	1.1
135.03017	2.8
136.07678	13.3
143.03479	1.2
149.04578	1.1
160.64980	0.9
161.04605	3.0
161.06100	7.7
164.07028	0.8
175.07678	2.0
179.05626	7.9
179.07124	64.4
179.63937	0.7
180.06609	31.9
194.08174	1.1
204.06369	0.8
221.08229	2.0
222.07736	4.0
246.98824	0.9
282.10281	0.9
289.26141	0.8
341.12430	100.0
342.12695	10.6
342.24222	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	341.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	15.3
59.01379	22.5
70.55419	1.6
70.55790	3.8
71.01379	18.2
72.99324	1.2
81.28432	1.3
83.05024	17.3
85.02933	3.3
89.02449	20.9
99.04559	1.4
101.02449	9.2
107.05025	2.1
113.02438	7.3
119.03546	8.8
119.05030	5.8
121.06591	9.1
122.03735	10.9
123.04525	1.6
123.08167	19.9
123.09007	2.3
135.04506	4.2
136.05304	63.5
136.81818	1.1
137.06122	11.1
137.09718	3.5
139.07674	2.4
149.06076	100.0
150.06924	9.7
151.03957	1.4
151.07668	3.6
161.04536	2.5
162.06859	25.1
163.03996	5.1
163.07541	2.4
165.05586	1.6
171.10092	1.4
174.06871	2.2
179.05640	7.7
189.09207	2.9
190.09953	3.0
191.10762	3.5
191.14424	5.1
202.10004	4.3
203.10660	1.8
204.11279	1.7
205.08723	1.9
205.12347	13.9
215.10829	1.1
216.11334	2.8
217.12485	1.7
231.13879	4.4
271.17029	2.2
281.19012	4.7
283.17133	7.9
284.17752	5.0
298.19086	1.6
299.20108	4.2
323.20166	2.6
326.18866	17.7
327.19379	2.0
341.10797	8.1
341.17923	2.1
341.21143	39.3
341.27213	2.3
342.21384	5.7
356.00729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.212
Annotation	Longithorol D
Peak:m/z	Relative Intensity
54.99216	0.6
57.03450	0.7
58.09497	0.7
59.01380	18.5
60.53566	0.9
61.37251	0.7
71.01003	0.9
71.01386	15.7
71.56156	0.9
85.02937	2.6
89.02452	16.6
95.01395	1.2
101.02444	7.4
108.02178	5.0
113.02464	4.8
115.36427	0.7
119.03504	6.0
121.02969	1.7
143.03481	2.1
149.06084	2.0
149.09721	4.0
151.00343	1.1
151.07594	1.6
161.04594	1.1
163.11293	49.4
164.08417	15.3
164.11575	2.3
165.09213	83.1
166.09598	4.5
177.07645	1.6
177.09213	33.7
178.09544	3.2
179.05580	6.9
179.07147	2.0
197.08179	1.0
284.14032	2.2
295.26328	1.5
297.27798	1.1
341.11023	6.0
341.21155	100.0
341.26929	18.1
342.17566	1.0
342.21524	12.0
342.27335	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	341.306
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
59.01377	14.5
64.58540	1.5
70.51418	4.6
71.01383	12.3
71.05016	21.5
83.05008	1.7
85.02946	2.8
89.02449	14.9
101.02448	6.8
113.02448	5.1
118.77422	1.7
119.03506	6.3
122.03735	7.3
135.04518	7.4
136.01627	2.6
179.05586	6.0
180.26675	1.5
185.00803	6.1
193.01781	1.6
267.26868	4.1
281.28488	23.6
282.28809	2.9
323.29468	13.4
324.29688	2.4
341.10910	4.4
341.19836	14.0
341.24811	32.5
341.30560	100.0
342.25089	6.5
342.31012	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	343.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60457	0.6
57.68639	0.7
59.01380	1.0
63.02385	1.2
63.96341	0.5
65.00326	5.2
65.03957	0.6
69.03455	1.0
69.61098	1.1
69.61500	2.2
71.01366	0.7
79.01913	0.7
81.03457	0.9
83.01392	4.6
85.02970	1.0
85.56988	0.6
92.43754	0.6
93.03457	5.9
95.01397	2.5
97.02950	5.3
106.29157	0.5
107.01402	7.3
109.02943	3.2
111.04568	0.7
113.02437	1.6
117.03462	1.7
119.01437	0.8
119.05029	42.0
120.05362	2.2
120.86868	0.5
121.02963	4.3
123.00882	1.6
123.04482	1.0
125.02455	3.3
132.44476	0.6
133.02930	1.8
135.00894	2.4
135.04466	1.0
136.01694	2.8
137.02437	4.7
143.05028	2.3
145.02980	2.3
149.02397	1.1
151.00369	27.3
151.04004	1.0
152.00777	0.7
153.01892	1.6
155.03485	4.2
161.02422	1.7
161.06071	2.0
163.00372	15.4
164.01045	2.2
165.01926	8.0
171.10355	0.7
177.01915	6.5
179.03499	1.2
181.01395	1.1
185.06094	2.1
187.04001	4.6
191.03494	1.0
193.01428	1.5
197.04520	1.6
198.06862	0.7
199.07657	1.3
205.01360	3.1
219.02863	1.3
223.02477	10.6
227.07147	2.5
231.02968	1.5
241.08665	0.9
249.04185	1.0
271.06122	18.5
272.06516	1.5
283.06076	5.4
297.07529	1.1
313.07233	1.4
325.07159	5.0
343.08212	100.0
344.08542	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	343.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
59.01382	6.4
65.00310	4.9
69.33289	10.7
71.01376	2.9
76.41987	1.3
83.01387	4.6
83.05027	1.8
85.02921	1.8
89.02477	2.5
91.01788	1.3
93.03470	7.7
95.01380	2.2
95.05027	1.5
97.02968	6.7
97.03477	1.3
98.20718	1.6
101.02413	1.5
105.24149	1.2
107.01393	6.7
108.02200	1.7
109.02942	4.4
119.05031	31.5
120.66726	1.2
121.02961	17.5
123.00871	3.2
123.04498	3.7
125.02422	3.7
133.02937	2.8
135.00870	2.1
135.04538	1.6
136.01649	3.6
137.02423	6.3
138.03189	1.4
139.04025	1.8
143.05025	3.5
145.02939	3.3
149.02431	2.3
151.00377	24.8
151.03915	1.4
152.00703	1.4
155.03479	3.5
161.06018	2.3
163.00378	13.5
163.03998	3.1
164.01141	2.0
164.04794	2.1
165.01906	6.8
171.10406	1.3
177.01921	7.1
179.03500	2.2
185.06100	2.6
187.04018	4.3
191.03503	3.0
193.01422	3.1
205.01442	4.5
207.06566	4.1
219.06606	1.4
223.02499	10.3
225.05563	1.4
227.07188	2.2
240.04213	1.9
241.30203	1.2
255.02473	1.4
271.06131	17.2
283.06091	6.5
285.07544	1.4
298.08224	2.4
299.05585	8.4
299.08588	1.8
304.42203	1.6
313.10641	1.4
325.07159	4.6
343.04602	5.9
343.08209	100.0
343.11670	4.0
343.21237	6.5
344.08594	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	343.1034
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01104	1.9
59.01381	21.7
59.15955	1.3
60.37440	1.2
62.70790	1.2
71.01392	10.0
71.04716	2.4
73.02964	2.2
74.47395	1.1
74.69503	1.2
83.01421	1.8
85.02933	3.6
87.00892	2.7
89.02460	7.4
95.01403	7.2
101.02427	5.7
108.02149	9.1
109.02936	9.9
111.00874	1.8
111.39280	1.2
113.02409	3.9
119.03485	1.6
119.05003	2.5
121.02970	7.7
122.03748	4.4
123.00890	86.9
123.04504	7.0
124.01682	29.8
133.02969	5.6
134.03308	1.9
135.04512	3.0
137.02434	8.1
137.06076	1.6
138.03230	45.1
139.04033	39.7
140.04308	3.0
148.01648	1.5
149.02408	2.0
150.03218	10.6
151.03960	2.8
153.95978	1.4
158.32968	1.3
161.02443	16.9
162.02785	7.9
163.02974	9.2
164.01122	3.4
165.01938	38.7
166.02689	17.2
167.03423	3.7
177.01945	1.5
178.02684	1.6
179.03482	3.8
180.04124	1.6
181.05080	36.8
182.05444	1.3
193.05017	2.3
195.03021	3.1
223.51563	1.5
328.08066	9.0
343.10318	100.0
344.10632	10.6
360.81882	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.6
59.01379	22.5
60.01700	0.3
60.40924	0.2
63.02404	1.8
65.00323	6.0
65.03994	0.3
67.01888	0.7
68.99805	0.5
69.03457	1.2
69.65825	1.1
69.66246	0.6
71.01389	2.1
72.99320	0.3
73.02965	0.4
75.00887	0.2
76.02526	0.3
77.03992	0.3
79.01889	0.7
79.05515	0.2
81.03458	1.4
83.01384	4.8
83.05031	0.9
85.02962	1.0
87.63891	0.3
89.02442	1.9
89.03975	0.3
91.01910	0.5
92.33881	0.2
93.03458	8.4
95.01385	3.5
95.05061	0.3
97.02948	5.6
99.00874	0.7
101.02454	0.6
105.03445	0.5
107.01389	9.6
107.02131	0.5
107.05006	0.8
108.02207	0.7
109.02966	3.0
111.00872	0.5
111.04539	1.2
113.02454	2.1
117.03491	1.7
119.01379	0.6
119.05025	49.0
120.05342	2.8
121.02962	4.5
123.00879	1.2
123.04525	0.9
125.02433	3.1
126.25551	0.3
130.08728	0.4
133.02957	2.4
134.04761	0.3
135.00905	2.6
135.04501	0.8
136.01666	3.2
137.02437	5.3
139.03986	0.3
143.05019	3.8
145.02966	2.4
147.04485	0.4
149.02408	1.4
150.03189	0.3
151.00366	33.3
151.03941	0.8
152.00716	1.2
153.01929	1.1
155.03493	4.6
157.06516	0.4
159.04576	0.3
161.02443	1.2
161.04794	0.3
161.06084	2.0
163.00372	15.3
163.03943	1.3
164.01131	2.2
164.04402	0.3
165.01927	8.8
165.05576	1.1
166.02362	0.5
169.01404	0.8
177.01930	7.4
178.02351	0.6
179.03494	2.1
179.06999	0.3
181.01468	1.0
181.08760	0.4
184.05174	0.5
185.06020	3.0
187.03990	4.8
188.04512	0.3
189.99115	0.8
191.03519	0.9
193.01404	1.3
195.02907	0.3
197.04539	1.8
197.06137	0.5
198.06784	0.4
199.07573	1.4
203.07111	0.7
205.01443	3.8
209.05978	0.5
210.06795	0.3
211.07597	0.4
219.02948	0.9
223.02473	13.5
224.02788	0.6
225.05560	0.3
227.07100	2.7
228.07451	0.4
229.05009	0.6
231.02922	1.0
239.07053	0.8
241.08752	0.9
249.04025	1.2
253.08664	0.3
255.06563	0.4
257.08276	0.4
269.08292	0.4
271.06104	22.2
272.06354	2.3
281.08127	0.6
283.06107	7.0
283.09137	0.5
284.06494	1.0
285.07684	0.5
297.07544	0.9
299.09381	0.5
313.07126	2.0
314.07538	0.3
325.07181	4.6
326.07516	0.5
343.08203	100.0
344.08536	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
54.72316	1.0
55.33797	1.0
59.01390	5.5
69.28234	9.3
69.52881	1.0
99.08165	6.1
109.76852	1.1
110.12730	1.1
111.24660	1.1
121.02950	8.9
121.10236	4.5
123.04488	2.1
125.09705	1.4
137.09760	1.3
139.11232	1.7
150.03247	1.2
158.43607	1.0
171.08804	1.5
171.10268	31.6
172.10619	1.3
180.51950	1.0
181.08725	1.1
193.12376	10.4
208.40060	1.2
211.13390	1.6
225.15002	11.4
241.63815	1.2
243.15932	5.2
293.21304	2.0
299.16104	1.2
343.24869	100.0
344.25269	12.8
359.00781	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2852
Annotation	CHEBI:79292
Peak:m/z	Relative Intensity
51.20151	1.0
59.01378	100.0
60.01691	1.4
71.56268	1.7
72.42150	0.9
85.02956	15.5
121.02961	4.9
127.13024	0.9
152.92574	0.9
181.94249	0.9
239.23769	3.8
295.40002	0.9
325.27463	1.6
336.07294	0.9
343.28488	44.7
344.29080	4.7
351.22635	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33256	1.2
61.98830	100.0
70.56561	2.3
73.21506	1.1
73.93386	1.1
81.84588	1.1
82.59919	1.3
98.20617	1.4
123.04500	1.8
127.07301	1.1
133.01454	1.3
134.49619	1.2
148.80661	1.2
219.61150	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.7
61.98833	100.0
63.97689	1.6
69.22459	5.7
69.22889	8.8
71.01388	3.7
85.00639	1.5
89.02467	3.1
101.02481	2.2
105.83749	1.5
106.56921	1.6
123.04508	5.7
128.49698	1.5
129.24974	1.4
130.08766	2.6
142.23393	1.4
202.71138	1.6
256.62903	1.5
345.10172	2.7
345.15530	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	344.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69227	1.2
58.02985	6.5
59.01379	13.4
60.50811	1.1
61.98807	1.3
66.03484	1.7
69.91321	3.7
69.91735	3.3
70.02986	3.0
71.01392	3.1
73.04060	6.3
80.46014	1.2
81.02199	5.1
82.02985	2.9
82.06631	2.1
82.39986	1.2
83.01405	2.0
87.05632	3.0
89.02441	2.4
96.00894	8.6
96.21268	1.3
98.02478	24.5
101.02438	2.5
109.01651	3.3
110.02493	5.1
113.03589	6.1
114.01976	4.0
115.05126	4.7
116.07199	12.8
123.04529	10.6
124.07675	5.7
125.07211	3.3
126.05602	3.5
127.96864	1.3
130.08749	91.9
131.04675	2.4
131.09059	3.1
137.05609	2.5
138.09248	16.7
139.08789	2.4
140.07172	2.3
140.10806	2.3
152.07166	27.9
157.13466	36.0
163.08868	2.0
164.09479	2.7
166.08705	7.7
169.06200	1.6
174.01712	40.1
180.04254	2.4
181.04620	2.8
185.16605	5.0
201.12431	12.6
204.09026	2.7
211.14441	8.0
213.08856	2.2
214.15617	26.2
219.15024	2.8
221.16599	10.5
222.16969	1.5
229.15576	10.5
245.50447	1.5
247.14517	9.0
256.16516	2.4
265.15546	7.1
300.15631	51.6
301.15930	4.2
309.14581	100.0
310.14716	9.8
326.17212	39.3
327.15323	3.2
340.33353	1.5
344.10919	2.2
344.18213	21.5
345.11899	1.8
345.15509	31.4
345.19296	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	344.1825
Annotation	Leu-Val-Asp
Peak:m/z	Relative Intensity
58.02975	21.2
59.01375	3.3
59.47799	0.5
61.61903	0.4
61.98832	0.9
69.55849	3.1
72.04543	1.0
73.04070	3.7
74.02473	1.9
78.10854	0.5
88.04041	100.0
89.04391	1.3
97.04111	0.9
98.02472	1.2
101.07196	1.1
108.08193	1.7
115.05125	2.4
116.03542	1.0
123.04473	2.4
126.04348	2.0
129.10324	0.6
139.08783	0.9
141.10365	1.8
143.11867	1.7
151.08777	0.6
152.07164	11.1
153.07581	0.6
156.07817	0.6
157.13460	11.8
158.13806	0.9
167.11916	1.4
168.11502	1.2
169.09853	2.2
183.11398	2.0
201.12436	13.3
202.12724	0.6
210.12447	1.5
211.10857	8.6
212.10912	0.5
214.15607	15.3
215.15875	0.6
256.16641	1.5
256.28070	0.5
258.14563	1.0
300.15640	83.2
301.16006	6.9
326.17236	1.1
344.12637	0.5
344.14243	0.6
344.18210	6.1
345.11896	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	345.098
Annotation	Agestricin D
Peak:m/z	Relative Intensity
51.26231	0.7
57.03436	3.7
59.01380	22.4
60.78179	0.7
62.11282	0.8
66.91796	0.9
69.03456	2.4
69.52103	6.0
71.01378	7.3
72.99324	0.9
73.02928	1.6
77.75282	0.9
81.03461	10.0
83.01385	5.3
83.05024	0.9
85.02965	2.8
89.02435	2.2
93.03461	8.5
95.01401	4.3
95.05019	3.7
97.02956	6.6
97.53892	0.8
99.00873	1.3
99.04504	1.9
101.02431	4.1
105.87095	0.8
107.05051	1.4
109.02934	2.2
109.06558	1.1
111.04516	3.8
113.02425	5.2
117.13826	0.8
119.03544	1.0
119.05016	11.9
121.02932	0.9
123.04528	31.8
124.04807	1.2
125.02441	27.6
126.02778	1.5
133.74512	0.9
135.04520	4.1
137.02431	11.4
137.06076	6.6
138.06662	0.7
139.04012	1.5
149.02417	1.2
149.06055	2.7
151.00377	1.7
151.04012	2.8
153.01894	0.9
153.05592	1.4
155.03529	4.0
161.04562	2.6
163.00320	2.1
165.05608	1.3
166.02655	2.0
167.03484	42.6
168.03807	1.4
177.05499	1.6
179.03500	26.8
180.03943	1.1
189.05527	4.5
193.05060	3.1
197.04539	17.6
205.26526	1.0
221.04552	2.6
231.06425	0.9
239.05504	6.3
257.48099	0.9
273.07681	24.5
274.07999	1.5
285.07681	7.7
286.07941	1.2
315.08664	1.9
327.08661	3.9
345.09769	100.0
346.10086	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54084	1.0
53.01197	1.0
59.01379	92.4
61.98809	1.0
70.09860	4.2
71.01396	3.0
78.95906	13.5
84.88445	1.1
95.05006	2.3
96.00906	1.4
96.96957	3.1
101.02438	1.5
105.03454	2.6
107.03647	1.0
113.02467	2.0
114.01971	1.4
120.96901	2.2
123.04522	100.0
124.04855	3.7
127.05204	1.0
129.10321	1.6
134.04729	11.5
145.06261	1.0
149.02400	1.6
161.03412	1.0
161.04521	5.5
174.72401	1.0
186.12421	1.5
192.60597	0.9
196.14502	1.3
211.00110	28.9
218.27464	1.1
285.09848	1.5
290.97046	1.2
345.17667	2.5
346.05518	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65616	0.9
59.01379	27.5
69.54053	5.5
71.01386	3.5
73.79977	0.8
85.02960	1.4
87.00833	1.0
93.03463	4.4
101.02451	1.5
103.41379	1.0
113.02433	1.9
121.02960	21.4
121.03835	1.1
122.03289	1.3
123.04527	100.0
124.04852	3.2
143.11832	0.9
152.23080	0.9
161.04550	3.3
285.09827	2.5
321.62720	0.9
345.11230	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40511	0.2
55.50260	0.2
59.01100	0.4
59.01377	4.4
60.01707	0.8
61.98830	100.0
62.98534	0.3
69.81471	0.3
69.81882	0.7
98.19933	0.3
102.00246	0.2
159.03304	0.3
201.02516	0.5
202.02702	1.6
203.02295	1.9
203.99989	45.0
205.00108	3.8
346.01138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
63.02395	2.5
65.00327	3.1
69.21104	4.7
82.31174	0.5
83.01382	3.3
93.03456	1.1
95.01393	0.7
98.20600	0.9
107.01387	8.3
113.29749	0.5
117.03451	2.7
123.04492	1.1
124.01630	1.4
125.02438	0.9
132.02177	1.1
135.00874	0.6
141.03456	0.6
143.05011	1.0
145.02954	0.5
151.00369	27.8
152.01173	8.5
155.05028	0.8
159.04506	1.8
163.00331	1.4
165.01930	0.5
167.03473	2.2
167.04938	1.1
169.01439	0.7
171.04524	1.5
178.99847	8.8
180.00638	0.7
183.03001	0.7
183.04506	7.4
185.02399	0.9
189.99075	0.6
193.01414	0.5
195.02956	1.1
196.05397	0.7
199.04024	1.0
200.04636	0.5
211.03995	3.3
213.05580	1.7
215.03378	0.6
227.03490	15.3
228.04012	1.7
229.05025	1.6
239.03502	3.2
240.04265	2.7
241.04921	1.0
255.02980	68.8
256.03644	15.1
257.04532	2.8
283.02490	32.5
284.03229	58.0
285.03918	15.1
286.04416	1.1
287.05652	0.8
315.05093	100.0
316.05438	11.1
347.07706	17.4
347.10895	0.5
348.08084	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	347.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54904	1.8
59.01381	100.0
67.87154	2.2
69.79122	10.9
71.01392	21.0
73.02934	4.3
83.01373	3.1
85.02943	7.2
89.02438	5.5
97.02990	2.4
99.00886	2.7
101.02474	10.8
111.00893	2.4
113.02443	6.8
115.58116	2.0
125.02422	7.5
126.90498	21.5
154.99886	6.4
161.04575	10.8
171.07262	2.2
173.00874	5.5
259.05222	2.4
346.77365	3.9
347.13266	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	347.171
Annotation	Rhodioloside A
Peak:m/z	Relative Intensity
55.01881	6.8
57.03451	7.1
58.00608	3.0
59.01382	66.8
63.04248	1.3
69.03414	1.4
69.40343	10.2
70.68525	1.3
71.01384	100.0
71.05016	1.9
72.99319	4.4
73.02953	24.3
74.62470	1.3
75.00845	3.1
81.03445	2.3
83.01395	9.0
85.02952	39.8
86.00078	1.3
87.00880	9.2
89.01923	2.7
89.02447	43.3
91.34234	1.3
92.21519	1.2
95.01389	8.6
95.05013	2.6
97.02979	2.5
97.06583	16.1
99.00888	11.6
101.02448	55.6
102.02740	1.7
113.02451	46.0
113.06065	3.7
115.07649	25.9
117.24005	1.3
119.03498	15.1
124.74509	1.4
125.02458	2.8
130.08730	4.3
131.03508	11.1
136.06392	1.5
137.09660	2.8
143.03474	4.7
149.09721	21.3
150.10043	1.5
159.02994	8.8
161.04555	49.0
167.10808	7.6
179.05547	2.9
181.01056	1.5
185.11827	12.2
188.19031	1.6
221.06706	13.1
233.10127	2.1
299.12241	1.9
347.17212	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01868	6.5
56.32977	1.8
57.03445	51.3
58.00581	3.6
59.01378	100.0
71.01380	85.9
71.33280	3.9
72.99306	4.9
73.02953	23.3
76.86108	1.8
83.01379	13.6
85.02947	31.4
87.00870	5.6
89.02439	42.9
94.02006	1.8
95.01385	6.3
97.06581	3.0
98.17004	1.9
99.00867	8.2
99.03899	3.1
99.04522	46.0
101.02446	91.9
102.02770	1.8
113.02451	27.5
119.03516	15.5
125.02465	3.8
129.01892	2.3
143.03456	4.9
159.03000	5.1
161.04549	33.5
179.05591	3.9
185.11783	12.7
229.10724	2.9
245.13858	3.6
297.58408	2.1
347.12958	1.7
347.17087	37.9
347.21359	2.3
348.17160	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.9
57.03452	5.5
58.00589	5.1
59.01380	100.0
60.01684	1.1
61.43000	0.8
69.03451	1.0
69.24616	8.6
71.01382	85.1
71.05011	1.1
72.01725	1.8
72.99309	3.9
73.02946	20.9
75.00864	1.4
83.01385	13.8
85.02950	35.1
87.00874	4.1
87.04524	1.0
89.02444	50.4
95.01400	5.3
97.02953	1.1
98.04259	1.1
98.19824	1.9
99.00883	9.2
99.04507	1.3
101.02445	87.8
102.02766	1.6
107.71400	1.1
111.00848	1.3
113.02455	37.2
114.02785	1.0
119.03508	21.5
121.50488	0.9
125.02444	2.3
131.03493	2.1
134.97649	0.8
143.03532	6.0
149.04456	1.2
150.03152	0.9
159.03043	4.3
161.04553	29.4
162.03195	1.5
177.05647	1.3
179.05623	3.3
180.04286	1.5
185.11833	10.4
229.10904	1.6
245.13927	3.7
268.23669	0.9
347.17120	34.4
348.17599	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	347.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94042	1.0
59.01380	21.0
59.38153	1.0
71.01389	1.0
71.56319	2.1
83.80738	1.1
185.42690	1.3
265.21707	100.0
266.22031	9.9
334.38980	1.1
347.22079	13.6
347.25934	1.8
348.22253	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	347.2591
Annotation	Carbocyclic Thromboxane A2
Peak:m/z	Relative Intensity
59.01384	1.7
64.75713	0.8
69.30321	8.7
84.49376	0.9
85.50069	0.9
98.19922	2.1
124.85117	1.1
140.62129	0.9
177.95245	1.2
204.39053	1.0
276.77640	1.1
278.66464	1.1
302.86533	0.9
306.98184	1.1
313.62152	1.0
328.61176	0.9
347.25888	100.0
348.26266	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	348.036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85506	12.0
59.01373	20.9
61.98831	100.0
69.22964	44.3
69.23387	72.5
71.01349	11.3
71.23620	11.8
71.79734	11.6
78.69360	11.3
98.19916	21.8
138.51430	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	348.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	31.4
60.01695	5.5
61.98832	100.0
62.47627	4.4
63.04648	4.9
69.76971	15.9
69.77382	13.8
71.01377	6.3
87.00914	4.9
101.02438	6.7
123.04516	6.9
124.04857	10.3
125.70265	5.5
177.87115	5.9
213.94398	5.1
302.04233	5.9
349.11435	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	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54331	0.1
59.01381	0.2
61.98829	100.0
62.98528	0.2
66.55527	0.1
70.69762	0.3
70.84550	0.1
109.91930	0.1
114.26879	0.1
117.63154	0.1
120.19646	0.1
131.42296	0.1
147.80347	0.1
162.98485	1.9
164.96400	0.3
204.00006	0.4
205.00154	0.4
205.99733	0.5
206.97433	71.2
207.97528	5.8
311.68665	0.1
348.98599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.9
57.03436	3.8
58.00589	3.3
59.01378	100.0
60.01711	1.5
61.98811	1.1
62.44216	0.8
69.03477	1.2
71.01382	91.7
72.01720	1.5
72.99323	6.0
73.02951	14.9
78.79704	0.8
83.01384	8.9
85.02953	26.9
87.00865	4.2
89.02442	62.6
90.02768	0.9
95.01399	7.2
97.02966	1.4
99.00881	7.8
101.02441	61.7
102.02775	1.0
113.02449	34.5
113.52094	0.8
113.84976	0.9
114.02754	1.3
119.03497	25.0
120.03845	1.1
125.02425	2.4
129.91144	0.8
131.03496	3.2
135.77879	1.0
137.86705	0.9
143.03499	5.4
145.08705	1.0
149.04570	1.7
159.02971	3.8
160.03264	1.0
161.04558	23.9
175.91052	0.9
179.05624	7.3
187.13359	11.3
188.13818	0.8
301.84314	0.9
349.14520	1.0
349.18796	14.3
350.19016	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	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03436	3.0
58.00587	3.7
59.01380	100.0
60.01731	1.6
62.69840	1.2
69.03458	2.1
69.58363	9.0
71.01382	71.4
72.99303	5.1
73.02952	7.5
83.01386	5.5
85.02950	19.0
85.59821	1.1
87.00871	1.7
87.04536	2.5
89.02443	66.0
95.01388	5.1
95.90011	1.1
97.46162	1.1
99.00861	4.7
101.02447	46.1
113.02457	29.3
119.03507	32.6
119.04333	2.7
127.02065	1.5
131.03491	3.7
143.03468	5.0
144.64642	1.3
149.04503	1.8
159.02979	3.9
161.04541	23.1
167.69878	1.4
173.09352	1.3
179.05548	6.2
187.13440	9.3
349.18628	33.0
350.18906	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	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
57.03459	1.4
59.01381	100.0
60.01710	1.1
71.01382	15.3
71.56944	1.0
72.99330	0.9
73.02943	4.8
74.02489	2.5
83.01388	2.7
85.02960	7.1
87.00925	1.0
89.02444	6.3
95.01404	0.9
97.02938	1.0
99.00901	2.2
99.79756	0.6
101.02438	10.4
102.54627	0.7
104.03576	1.0
104.31503	0.8
108.07578	0.7
113.02464	7.0
119.03515	2.7
121.27065	0.7
125.06126	1.3
135.63281	0.7
139.07735	0.9
144.40488	0.9
159.02997	1.4
161.04555	5.7
191.79065	0.8
201.12920	3.3
201.95755	0.8
203.10762	1.1
219.13966	2.4
245.11957	1.8
307.17615	10.0
308.18225	1.4
320.15009	3.5
349.05869	1.1
349.18823	3.0
350.16040	11.7
350.19647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.7
57.03451	3.0
58.00589	3.2
59.01380	100.0
69.67966	2.9
69.68380	2.6
71.01382	83.8
72.01717	1.2
72.99300	4.9
73.02950	16.3
77.68098	0.9
83.01399	7.1
84.08433	0.9
85.02951	28.7
87.00889	5.3
89.02443	55.1
95.01386	5.6
98.19894	2.0
99.00899	6.5
101.02444	55.5
102.02805	1.4
113.02450	29.9
119.03507	24.7
124.05026	1.0
124.23803	1.0
125.02519	1.0
131.03511	1.8
141.09280	1.4
143.03525	4.9
149.04535	2.5
159.02972	4.1
161.04539	20.7
162.04971	1.3
179.05624	8.0
187.13344	9.4
349.18631	24.5
350.19162	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.5
57.03442	2.5
58.00589	5.3
59.01379	100.0
59.20900	1.6
60.01705	1.8
69.03459	1.9
71.01382	76.3
72.99295	4.6
73.02962	8.9
73.03299	1.7
83.01375	5.2
83.01823	1.3
85.02950	20.5
85.54183	1.5
87.00856	2.0
89.02445	62.9
95.01375	4.8
97.02962	1.4
99.00882	3.9
101.02449	49.8
102.02773	1.7
111.35941	1.3
113.02444	32.8
114.02769	1.6
117.07220	1.4
119.03514	29.8
131.03511	2.3
137.75462	1.2
143.03458	4.5
146.84053	2.0
149.04524	2.2
161.04568	20.1
179.05602	9.6
185.11879	1.8
187.13420	10.5
265.85413	1.5
317.73837	1.7
349.18686	44.7
349.22977	2.9
350.18964	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	349.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.7
57.03448	2.8
58.00597	3.3
59.01381	100.0
60.01710	1.1
69.03475	1.0
71.01381	66.3
71.10516	1.3
72.01723	1.4
72.99316	2.9
73.02943	7.9
74.35152	0.5
81.07086	0.8
83.01389	5.1
83.01773	0.5
85.02955	17.3
85.03460	1.0
87.00887	3.1
87.04545	0.7
89.02446	60.1
90.02793	1.1
95.01395	4.2
95.21029	0.6
97.02985	1.1
99.00900	2.6
101.02445	45.6
102.02818	0.7
113.02453	29.3
114.02837	1.0
119.03501	24.6
120.03836	0.7
125.02477	1.5
131.03529	2.2
143.03479	5.3
149.04654	1.4
159.03032	2.5
161.04555	12.6
161.05869	0.9
179.05611	7.5
186.78468	0.6
187.13400	9.4
188.13799	0.8
349.18674	12.4
350.19232	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2749
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
53.45098	0.7
58.31631	0.7
70.96662	1.3
70.97013	0.7
86.36092	0.7
96.96017	1.4
265.14740	0.9
349.27472	100.0
350.27826	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	350.1608
Annotation	Retrorsine
Peak:m/z	Relative Intensity
59.01382	14.7
71.01380	4.1
71.56367	1.7
72.00880	1.1
74.02480	18.6
79.05527	1.4
81.03448	1.8
84.04531	1.5
89.02421	1.8
93.03412	1.4
93.07102	1.5
95.05033	2.5
101.02434	2.9
104.03529	4.8
108.04530	2.1
109.02959	3.2
113.02492	1.1
121.06592	1.9
122.06139	1.6
124.07676	2.6
125.06094	9.3
135.08170	1.7
136.05318	5.2
137.09666	2.5
138.06821	1.7
139.07678	2.0
145.08661	1.1
148.05290	2.5
149.06082	2.6
151.00360	2.8
151.07626	3.9
152.00706	1.3
152.08411	1.2
159.11771	1.5
161.09689	2.0
163.00340	1.1
163.07591	2.2
163.11200	2.7
164.08401	1.1
165.09189	4.4
166.05084	1.1
168.06541	1.1
177.09218	2.1
178.09993	1.4
178.99902	2.5
180.00212	2.4
185.09717	1.5
189.09238	1.8
201.12857	20.0
202.09988	1.1
202.13139	1.4
203.10756	8.8
203.72710	1.1
204.11452	4.4
206.99345	2.8
207.99670	4.6
219.13940	17.6
230.09460	3.6
231.10213	1.7
240.02266	2.5
244.07076	1.1
244.42351	1.2
245.11784	12.7
246.12077	1.3
251.11838	1.1
258.15051	2.4
261.13699	1.8
263.12994	1.2
270.14993	4.1
276.16080	2.7
288.16010	8.9
307.19174	1.2
320.14993	34.3
321.15414	4.6
350.16040	100.0
351.16278	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	351.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	48.5
71.01382	57.8
71.55573	36.2
72.99298	22.8
73.88319	19.6
83.79831	19.9
87.00879	51.2
88.04058	27.7
93.60372	18.1
95.01399	21.8
96.96071	27.4
99.00876	31.2
101.02447	33.7
111.00891	51.1
115.00382	73.7
119.05048	21.1
130.05066	19.8
160.06010	25.3
160.36421	23.1
163.04001	36.1
175.02455	100.0
313.11743	23.8
315.88199	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	351.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19373	1.8
59.01382	100.0
61.98832	12.1
71.01382	16.8
71.54877	3.3
72.17645	2.1
73.02937	5.9
75.00763	2.1
83.01395	2.6
85.02934	5.2
87.00797	2.7
89.02450	12.1
97.31821	2.2
99.00869	3.0
101.02439	9.7
105.31115	1.9
111.00887	2.7
113.02425	8.2
119.03513	5.7
127.07683	2.4
143.03500	2.3
153.05563	2.8
161.04570	11.6
163.04019	3.8
228.61983	2.6
291.10846	6.3
298.98093	2.3
351.07568	3.0
351.12766	6.2
351.16699	3.5
352.15323	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36495	0.6
57.03416	0.6
59.01379	15.7
68.99811	1.1
69.51344	4.2
69.98491	0.6
71.01376	7.7
72.99345	0.8
85.02950	2.3
85.06590	0.7
87.71442	0.7
89.02454	7.0
96.99336	0.7
99.08149	1.0
101.02419	3.8
102.72758	0.7
108.15996	0.8
113.02425	3.6
119.03497	3.4
127.07652	100.0
128.07970	4.6
134.03725	1.8
145.08687	1.1
163.04070	1.6
171.06622	76.5
172.06935	4.4
175.02505	1.2
179.05566	1.1
193.04958	0.8
196.28238	0.7
199.67651	0.7
307.14053	1.8
315.34967	0.7
351.12939	40.7
352.13239	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36495	0.6
57.03416	0.6
59.01379	15.7
68.99811	1.1
69.51344	4.2
69.98491	0.6
71.01376	7.7
72.99345	0.8
85.02950	2.3
85.06590	0.7
87.71442	0.7
89.02454	7.0
96.99336	0.7
99.08149	1.0
101.02419	3.8
102.72758	0.7
108.15996	0.8
113.02425	3.6
119.03497	3.4
127.07652	100.0
128.07970	4.6
134.03725	1.8
145.08687	1.1
163.04070	1.6
171.06622	76.5
172.06935	4.4
175.02505	1.2
179.05566	1.1
193.04958	0.8
196.28238	0.7
199.67651	0.7
307.14053	1.8
315.34967	0.7
351.12939	40.7
352.13239	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	352.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66259	0.6
59.01374	2.0
66.11014	0.6
67.03365	0.6
71.55256	0.7
79.95731	9.8
80.96510	0.9
81.73730	0.6
88.12119	0.6
94.27222	0.7
95.95226	6.5
96.96011	100.0
152.00209	3.1
161.68282	0.8
174.21216	0.8
191.05595	5.3
197.02887	0.7
308.19055	3.5
352.21634	99.8
353.17972	2.1
353.21951	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	352.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18747	6.3
59.01376	13.8
68.32336	6.5
71.34156	8.8
71.34474	6.1
73.66154	5.6
73.66616	5.7
77.94077	7.5
80.91663	6.6
95.47421	5.8
97.30015	6.0
102.77937	6.0
109.33640	7.0
116.43400	5.3
118.88068	7.2
131.86839	6.1
183.01215	62.0
191.05617	36.4
270.86612	8.0
352.96115	17.9
353.17844	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	353.0875
Annotation	Biflorin
Peak:m/z	Relative Intensity
53.61624	0.8
54.54557	1.0
59.01380	11.1
62.02866	1.0
69.45824	8.1
71.01385	5.8
72.75519	0.9
72.99303	2.4
73.02944	1.9
75.00864	1.4
77.03954	2.8
79.01897	2.2
81.03455	2.4
83.01390	3.2
85.02959	5.6
87.00874	1.7
89.02444	1.6
93.03467	2.3
94.62444	1.0
99.94610	1.0
100.84913	0.9
101.02432	4.1
102.02776	1.1
105.03488	1.5
111.00890	1.0
111.04549	1.2
119.05032	4.8
125.02435	2.2
127.07635	7.0
128.08012	1.7
129.08105	2.0
135.04535	2.3
146.03682	1.3
147.04437	1.3
149.02408	1.3
161.02499	1.3
161.06094	8.4
163.03961	4.0
165.05577	1.2
171.06638	3.9
172.07034	2.1
173.04607	1.2
173.07161	2.3
175.03975	1.0
179.03520	1.4
181.07182	6.9
190.67760	1.0
191.03578	3.6
191.05603	31.4
192.05893	1.3
201.05731	1.0
203.03516	7.7
204.04224	3.1
205.05051	69.9
206.05376	5.2
215.03445	2.2
217.05060	6.5
231.03166	1.6
233.04541	100.0
234.04845	8.4
236.03224	2.2
245.04562	10.3
263.05569	22.1
264.06000	2.5
275.05734	1.6
295.14059	5.8
353.08771	49.1
353.14056	7.1
354.08990	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
54.15936	0.3
67.30854	0.3
71.33141	0.3
71.33472	0.3
79.95731	1.2
96.95377	0.5
96.96014	8.3
107.64623	0.3
122.97597	0.5
147.08171	0.3
159.31897	0.3
163.11290	91.5
164.11617	6.5
177.09210	69.9
178.09555	4.3
190.10062	0.4
197.02841	1.6
198.03568	0.3
222.08899	0.6
350.92581	0.3
353.21188	100.0
354.21558	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	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
57.03191	1.0
57.03450	13.3
59.01380	7.7
67.12329	0.7
68.99794	0.8
69.41054	5.2
71.01389	3.2
72.99323	1.6
75.00884	1.3
83.01378	1.9
84.02170	2.6
85.02951	100.0
86.03287	3.0
87.00884	1.2
89.02439	1.5
96.96016	1.1
103.00363	1.6
105.81383	0.7
112.42206	0.7
118.08121	0.7
119.05053	3.5
129.01978	5.8
133.01434	1.8
147.02998	9.6
163.03975	3.0
168.17775	0.7
191.01982	21.7
209.03026	38.4
210.03413	1.5
212.28029	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.7
56.86359	0.9
57.03448	13.9
59.01376	10.7
64.20232	0.9
71.01375	7.4
71.10197	1.9
72.99320	3.0
75.00895	1.9
83.01379	2.4
84.02171	2.4
85.02950	100.0
86.03290	2.9
87.00881	2.1
89.02428	3.7
96.96008	1.1
100.93999	1.1
103.00405	1.7
109.37908	0.9
111.00871	1.2
115.00411	1.1
119.05038	3.9
129.01945	6.0
133.01422	3.8
147.02982	6.2
163.04047	2.4
174.01669	1.1
191.01990	26.1
202.85350	1.1
209.03030	58.4
210.03377	1.7
214.62996	1.0
355.10376	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32257	0.9
55.01876	1.8
57.03449	12.2
59.01379	8.6
68.86745	1.0
68.99813	1.2
69.39145	8.4
71.01382	10.0
72.99326	2.1
73.02950	1.1
75.00858	2.7
75.06786	1.0
81.89948	1.1
83.01377	2.3
84.02174	2.3
85.02953	100.0
86.03304	2.8
87.00883	2.9
87.04485	1.0
89.02448	3.6
103.00353	2.1
111.00901	1.1
113.94776	0.9
115.00374	2.5
119.05043	3.2
129.01926	6.6
131.36301	0.9
133.01427	3.2
134.03748	4.6
137.02458	1.1
147.02995	6.3
149.06105	1.3
163.03996	2.5
167.61505	1.0
174.01712	17.3
175.02435	3.5
175.03926	2.0
175.99910	1.6
178.02692	2.2
181.53636	1.1
191.01979	23.6
193.05069	7.5
196.87601	1.0
209.03024	63.8
210.03346	3.0
237.07683	1.3
256.56873	1.0
265.07056	2.5
295.08231	3.3
355.06717	1.6
355.10419	23.7
356.10559	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	355.1035
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.62843	1.1
55.66030	1.0
59.01376	3.1
61.71799	1.0
62.16988	1.1
62.97421	1.0
69.90411	3.6
69.90800	2.1
71.01382	2.5
73.02947	4.1
73.98983	1.1
75.00902	1.4
83.01377	2.9
85.02958	4.1
87.00869	3.3
96.99074	1.0
99.00915	1.2
101.02471	1.4
104.96258	1.0
113.99596	3.1
115.00380	7.9
129.01871	1.1
154.55083	1.0
159.21791	1.1
160.01755	1.3
174.01691	75.2
175.02298	7.1
175.03906	1.9
179.07152	3.2
209.08203	2.8
221.08168	3.1
235.06067	2.2
237.07681	4.4
241.57294	1.2
265.07227	9.8
295.08200	15.1
355.10330	100.0
356.10712	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	355.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.5
67.67580	0.6
69.16593	0.6
69.57591	3.7
71.01374	3.9
85.02958	1.9
89.02460	3.0
101.02449	1.9
113.02429	1.7
119.03496	1.1
127.72224	0.6
132.02171	13.8
133.02588	0.6
134.03729	9.6
145.90538	0.6
147.04457	0.8
149.06061	2.2
160.01659	68.7
161.01999	4.0
163.04025	0.6
175.03996	100.0
176.04341	7.3
178.02692	2.1
191.03497	0.7
191.07211	2.9
193.05052	15.0
194.05502	1.3
202.02733	1.3
206.05820	0.9
207.06616	0.9
217.05023	5.3
221.08127	1.1
235.06146	3.3
293.78275	0.6
295.08170	1.8
355.10425	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	355.1034
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
59.01382	8.1
69.64943	4.1
71.01383	4.9
85.02940	0.7
86.20734	0.6
89.02457	3.5
101.02435	1.4
103.73325	0.6
113.02456	2.2
119.03453	1.3
132.02187	14.4
133.02530	0.9
134.03758	8.8
147.04453	0.7
149.06084	1.8
160.01669	69.0
161.02025	4.8
162.70944	0.6
174.03247	0.7
175.04007	100.0
176.04364	6.1
191.07172	2.4
193.05069	16.5
202.02765	1.1
217.05072	5.7
218.05472	0.7
235.06134	2.5
259.06351	0.7
265.07239	0.7
290.45447	0.6
295.08286	1.7
308.60989	0.5
351.32571	0.6
355.10294	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.6
58.76619	0.5
59.01385	9.1
68.27953	0.5
69.30532	1.1
69.30933	3.6
71.01390	3.7
83.01405	0.6
85.02975	1.2
89.02442	3.4
95.01355	0.6
101.02460	1.8
113.02465	1.8
132.02177	16.3
132.03171	0.8
133.02625	0.5
134.03746	9.7
147.04535	0.9
149.06079	1.5
160.01663	71.3
161.02020	3.3
164.54611	0.5
174.03236	0.7
175.04004	100.0
176.04367	6.1
178.02798	0.6
191.07150	2.6
193.03323	1.0
193.05049	15.5
194.05394	0.5
202.02724	1.2
207.06573	0.5
217.05072	5.6
235.06137	3.3
265.07162	1.2
295.08261	2.8
355.10233	4.4
357.40384	0.5
364.92148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
59.94788	1.2
71.06947	3.1
81.52247	1.3
85.02962	2.2
108.02169	1.6
119.05016	8.5
120.67113	1.3
136.07681	2.8
147.04533	15.6
148.05275	2.1
149.02402	1.4
151.00409	1.5
162.03285	1.5
163.33498	1.5
164.04770	2.0
164.07159	1.4
174.01669	7.6
175.03998	100.0
176.04768	45.3
177.05162	2.2
188.04756	1.5
189.05534	8.4
189.98389	1.4
190.06355	29.7
191.06802	2.1
199.13358	2.1
204.04282	19.5
208.03761	18.3
217.05057	11.5
218.05818	12.2
219.06610	43.0
220.07028	3.0
222.05312	26.5
223.05626	1.6
223.07626	1.7
231.06561	1.7
235.07791	1.5
237.05548	2.0
251.07236	1.9
261.88870	1.5
267.06567	3.1
271.06207	1.7
279.06586	6.7
294.09308	2.3
295.06235	8.1
296.06909	12.0
297.07318	2.4
307.06287	6.9
310.08447	4.7
311.09296	15.9
312.09747	2.0
321.83817	1.8
322.08423	7.8
325.10867	3.4
327.12259	3.6
337.10883	5.3
340.09808	2.5
355.08493	4.6
355.11884	96.8
356.12262	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	355.1915
Annotation	Liphagal
Peak:m/z	Relative Intensity
57.03437	6.6
59.01369	4.8
67.07962	1.8
70.30152	7.3
71.01353	2.5
72.18463	2.0
78.23952	1.9
79.05545	2.3
83.05027	7.8
85.02963	3.9
95.04973	2.8
102.45872	2.1
107.05038	4.5
108.02179	7.8
109.02946	4.5
109.06575	2.6
111.04522	3.5
119.05040	2.6
121.02961	9.5
121.06609	4.1
122.03739	6.6
123.04530	94.9
123.08144	20.3
125.06071	3.1
129.07135	2.5
135.04530	4.7
135.08241	2.0
136.05299	5.1
137.06107	7.0
137.09781	2.0
148.05357	2.3
149.02420	7.7
149.06094	4.4
150.03223	30.0
151.04021	10.8
152.04848	2.5
157.06548	3.7
159.08092	2.4
161.06076	2.8
163.04063	2.2
164.04774	10.4
165.05573	6.9
173.06094	4.7
173.09744	2.3
175.07657	22.7
175.11307	7.6
176.08435	5.7
177.05499	2.4
177.09167	17.9
178.06317	7.0
183.01233	7.4
185.00716	2.5
185.06125	3.0
189.09177	9.8
189.12917	3.9
191.10774	6.5
199.07791	2.4
201.09203	6.7
203.07179	13.2
203.10889	1.9
204.07826	5.8
213.09209	3.3
217.08710	5.5
218.09453	25.1
219.10219	21.5
221.71571	1.9
225.16418	2.1
229.15944	2.2
232.10873	3.2
266.33633	2.1
295.17029	3.9
297.14941	4.1
313.18137	10.7
327.19528	10.1
328.35791	2.0
337.18201	4.0
355.19186	100.0
356.19522	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
60.24761	1.0
62.88918	1.0
70.82952	3.2
73.47883	1.1
85.02940	2.3
105.61121	1.1
109.02982	3.3
111.00836	1.3
122.03736	10.2
133.19009	1.3
135.04520	26.2
136.01672	2.2
136.04861	1.1
147.08154	2.7
148.05301	1.4
149.06082	1.0
149.09735	7.5
151.07655	1.8
157.09804	1.0
161.09665	6.1
163.07652	3.4
163.11282	52.1
164.08403	16.2
164.11610	2.6
165.09210	9.2
177.09209	69.0
178.09970	23.8
179.10773	81.1
180.11122	6.0
183.10258	3.0
187.11319	1.7
191.10757	13.6
193.08713	8.5
280.14700	2.5
298.15750	52.2
299.16202	6.0
307.17023	1.0
313.21655	1.1
337.18240	0.9
337.21735	51.7
338.21988	7.7
340.20416	80.1
341.20740	12.0
355.22797	100.0
356.23129	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	Dshamirone
Peak:m/z	Relative Intensity
85.02975	1.7
98.20694	1.9
101.06053	1.5
109.02988	2.8
111.00909	2.4
122.03727	4.6
127.07676	2.1
135.04567	2.0
136.01649	1.9
151.07637	3.1
154.02702	1.9
163.07706	2.7
163.11285	29.7
164.08340	1.7
164.11658	1.3
165.09215	10.4
178.09998	24.4
179.10764	100.0
180.11145	8.7
183.10309	1.6
191.10791	14.3
193.08704	9.9
205.60699	1.2
225.28650	1.2
298.15585	2.1
355.22797	91.1
356.23166	14.3
364.28903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.3217
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
60.13311	0.3
60.30140	0.3
69.27205	0.2
70.51437	0.6
70.51763	0.3
76.16912	0.2
98.20479	0.4
136.15108	0.3
171.44910	0.2
199.00702	1.0
309.31625	3.7
310.31998	0.6
337.31161	1.1
353.30676	0.6
355.20151	2.0
355.32153	100.0
356.19714	0.5
356.32477	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	356.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.5
69.45679	2.7
71.01381	1.6
80.05061	0.5
85.02956	1.1
89.02457	0.5
95.01384	0.4
100.26404	0.4
106.06628	100.0
107.06967	4.1
108.08198	5.5
113.02453	1.5
118.06623	1.0
120.08187	1.0
130.06639	0.4
130.08742	2.6
131.03754	1.7
132.04474	0.4
134.06149	0.5
135.04495	0.4
136.01624	0.4
136.07664	0.5
146.06104	0.9
150.05611	54.3
151.05949	2.5
162.05617	0.6
164.07162	10.8
174.05626	0.9
192.06662	6.8
194.04582	27.4
195.04895	1.4
229.26791	0.6
236.05682	4.5
266.06894	0.6
277.23093	0.4
292.80405	0.5
296.07703	3.1
297.61172	0.4
327.12488	0.7
356.09863	7.5
356.25354	2.2
357.10300	0.8
357.14703	0.8
370.65567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0985
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
50.45805	0.3
59.01373	2.1
63.68235	0.3
69.53111	2.7
71.01380	1.2
84.66108	0.4
85.02956	1.3
95.80407	0.4
98.20602	0.8
101.02420	0.6
104.05060	1.1
106.06627	100.0
107.06963	4.6
113.02451	1.5
118.06639	3.2
120.08217	0.8
123.04549	0.5
129.10251	0.5
130.08728	3.6
135.04515	0.8
142.96732	0.4
146.06104	1.2
150.05605	81.4
151.05934	4.3
162.05556	0.5
163.04037	0.4
164.07167	11.8
165.07544	0.7
192.06670	10.3
193.06947	0.8
194.04578	12.9
195.04915	0.9
199.18156	1.2
209.04527	1.4
225.16092	0.9
236.05635	1.2
269.14261	0.5
283.88519	0.4
296.07660	1.8
312.06467	0.4
312.26581	0.6
327.08752	1.0
342.11176	1.1
356.09857	5.2
356.25623	3.3
357.06067	0.8
357.09857	4.8
357.13620	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78978	3.0
59.01387	6.6
61.98828	100.0
71.55145	2.5
71.55541	3.3
77.19550	2.7
83.05348	2.4
98.33669	3.3
121.02956	7.3
136.01665	3.6
148.99849	2.5
187.09825	3.9
208.57463	3.0
235.78537	3.1
263.40015	3.0
356.19720	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	357.0617
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.13366	0.3
57.30703	0.3
59.01382	0.8
63.84004	0.3
70.09080	0.9
77.03987	0.4
81.32029	0.2
93.03458	1.1
104.05059	0.4
108.02136	0.5
108.08211	0.3
108.21500	0.3
121.02958	100.0
122.03284	3.8
132.04568	3.2
136.01669	6.1
136.06720	0.5
136.07683	5.8
143.03339	0.2
148.04028	0.3
151.04016	9.3
159.92752	0.3
165.01917	0.8
180.05789	1.6
181.06598	7.1
182.06905	0.5
208.06201	0.6
208.33798	0.3
216.36179	0.3
225.05551	6.4
226.05852	0.5
238.09683	0.3
253.13263	0.3
269.08304	0.4
281.12888	1.4
284.21765	0.3
285.04056	0.5
298.27444	0.3
313.07162	7.4
314.07672	0.7
325.11920	3.8
326.12088	0.5
342.11157	0.5
357.06161	28.4
357.13776	2.9
357.26416	0.4
358.06519	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
67.99857	0.3
71.32657	0.7
92.09022	0.3
98.18228	0.4
117.03440	0.3
123.64279	0.4
124.01680	1.0
126.88079	0.3
131.65285	0.3
132.84033	0.3
133.53528	0.4
137.02455	2.4
137.03337	0.4
145.02962	0.5
151.03998	6.1
156.94017	0.4
161.02435	1.0
162.03226	24.8
163.04016	3.6
177.05553	4.1
178.05923	0.4
179.03490	4.8
180.04279	65.4
180.97194	0.5
181.04578	3.5
187.99786	0.4
195.06618	100.0
196.06984	5.5
206.74493	0.3
212.22389	0.3
221.83614	0.4
357.11896	6.2
358.12292	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54883	0.7
59.01378	36.9
67.18440	0.8
67.51352	0.7
71.01382	20.3
71.07655	1.3
72.99334	1.1
74.20457	0.7
80.73333	0.8
83.01363	0.9
85.02950	3.7
87.00872	1.2
89.02453	19.0
89.42570	0.7
95.01398	1.6
101.02445	11.6
105.76984	0.7
110.05403	0.9
113.02451	6.4
119.03502	7.0
124.01663	0.9
134.03720	1.7
143.03510	0.8
151.03966	1.9
157.68372	0.8
161.02490	2.1
162.03221	65.0
163.03664	4.8
177.05562	100.0
178.05934	6.5
180.04277	3.3
192.77635	0.6
195.06622	7.7
196.07098	0.9
212.86823	0.9
230.11472	0.8
231.39201	0.7
345.77100	0.8
357.11765	1.6
357.21506	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1345
Annotation	3,3'-bis(3,4-dihydro-4-hydroxy-6-methoxy-2H-1-benzopyran)
Peak:m/z	Relative Intensity
50.47923	1.0
69.89408	3.6
69.89817	1.9
74.74164	1.1
82.71065	1.0
103.05552	1.3
105.22430	1.2
108.02184	21.0
121.02961	3.9
121.06588	1.3
123.04533	37.7
124.04824	1.6
128.49210	1.2
130.04196	1.6
131.05060	3.1
134.03734	2.1
135.04558	1.7
136.01576	1.7
139.80527	1.2
145.02968	3.3
146.03740	2.5
147.04507	4.7
148.05298	9.4
149.02440	5.7
149.06073	8.3
150.03235	9.5
151.03957	1.8
153.44971	1.2
158.03746	4.2
159.04514	18.1
160.05304	27.7
161.06052	6.4
162.03217	6.8
162.06821	1.5
163.07590	1.2
164.04781	2.1
165.05568	4.1
171.04478	1.2
172.05370	1.5
173.06068	4.0
174.03192	11.1
174.06851	2.0
175.03955	2.1
175.07614	8.7
176.04764	8.0
177.05563	100.0
178.06335	31.6
179.06656	1.4
180.04201	4.6
187.04002	17.4
188.04797	19.5
189.05305	1.8
191.07129	29.1
192.04295	4.3
192.07880	10.6
193.08592	2.5
194.49870	1.0
203.07130	97.5
204.07463	8.1
206.05821	20.2
210.05399	9.3
215.07204	1.3
218.05779	1.3
219.06563	2.9
220.07384	5.6
221.00761	1.1
221.08174	68.2
222.08560	4.7
222.49724	1.2
224.06859	17.6
233.08104	1.4
235.07573	1.5
251.07217	1.2
253.08783	1.3
263.07065	4.1
263.44153	1.1
269.08032	1.1
273.05576	1.3
279.06558	3.3
280.07333	1.8
281.08188	5.3
291.06622	4.2
295.09726	2.3
296.10504	2.9
297.07535	1.5
298.08371	1.7
299.12827	2.3
306.08875	3.3
309.07761	5.3
309.10931	1.3
311.12952	2.6
313.10846	5.3
324.09885	6.0
327.12354	10.3
328.12723	1.6
339.12375	37.7
340.12833	5.3
342.11075	1.3
357.10001	1.5
357.13434	34.0
357.18277	2.2
357.19229	1.5
358.13718	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	357.1455
Annotation	14,15-Dihydroxygelsenicine
Peak:m/z	Relative Intensity
56.50712	0.4
57.03454	0.4
59.01384	16.7
68.04465	0.4
71.01395	0.8
71.97815	0.4
73.72935	0.4
80.05077	1.5
85.02941	1.0
87.00903	1.1
91.96895	0.4
98.19863	1.1
99.00925	0.7
101.02390	0.6
104.05065	8.4
105.05440	0.5
106.47356	0.5
108.04553	6.8
108.05241	0.6
108.08193	5.0
109.04901	0.4
113.02496	0.4
115.00426	0.6
115.85280	0.4
116.05088	0.7
121.02969	3.3
121.05338	4.4
124.71189	0.4
132.04561	49.5
133.04950	2.8
134.06117	0.7
135.03302	0.8
135.04425	0.5
136.01688	3.3
136.07690	100.0
137.08047	4.4
144.04582	1.2
148.04063	6.9
151.04027	2.8
152.03532	0.5
153.04268	2.0
157.01483	0.7
159.51408	0.4
160.04053	0.7
162.03185	0.5
164.07158	0.5
176.03546	7.2
176.04991	0.6
177.03864	0.4
181.06619	0.9
188.03529	1.1
189.04271	0.5
190.05080	0.7
199.13409	2.1
208.06133	7.0
209.04649	0.4
220.06165	1.0
221.77534	0.4
225.05540	0.8
229.23143	0.5
253.13464	4.8
254.13754	0.6
257.12869	4.2
258.13171	0.6
281.12949	20.6
282.13242	2.6
282.79929	0.4
285.04056	1.4
297.12506	3.5
325.11923	53.5
326.12234	6.3
357.06567	2.3
357.10095	1.8
357.14487	25.9
357.26416	0.7
358.06433	0.4
358.14807	3.0
373.15726	0.4
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
52.84038	0.5
59.01380	100.0
59.91714	0.5
60.01709	1.3
68.10285	0.5
69.64787	0.9
69.65196	2.1
71.01382	8.4
72.40058	0.6
73.02956	2.3
78.29240	0.6
83.01398	1.0
85.02950	4.2
86.61810	0.5
89.02437	0.9
99.00893	1.0
101.02445	4.2
113.02473	2.9
118.33112	0.5
119.03501	0.6
121.02991	0.9
135.45227	0.6
136.01685	1.5
141.00360	0.6
151.04047	1.8
161.04585	3.6
177.05531	1.0
180.09494	0.7
209.04657	0.7
252.28093	0.5
268.59293	0.5
286.00320	0.8
315.18292	1.7
357.05890	0.8
357.09753	2.1
357.13672	1.5
357.22733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.53059	0.6
51.71888	0.5
57.03435	0.6
57.41025	0.5
59.01370	0.8
70.84103	1.1
70.84468	0.7
80.29810	0.6
115.35992	0.6
121.02976	1.9
127.01607	0.6
135.04483	0.8
139.11299	1.4
151.04028	1.2
164.96783	0.6
174.13908	0.5
177.74335	0.5
185.11807	5.5
186.12054	0.6
253.07289	0.6
297.24271	3.0
309.24432	2.5
311.25827	0.6
325.23743	1.6
327.25394	20.1
328.25687	2.0
339.25302	3.1
355.24921	1.2
357.26456	100.0
358.26773	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	358.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.1
65.02192	1.0
67.62207	0.8
69.57556	5.8
70.02987	1.6
71.01377	2.4
81.02205	4.6
82.02982	1.3
82.06648	1.5
87.05631	1.8
96.00923	8.9
98.02483	14.3
99.98241	0.9
109.01720	2.9
111.03284	1.3
113.03589	6.2
114.01962	3.1
121.04012	0.9
122.09750	1.2
123.09269	1.5
130.08740	83.4
131.04646	1.1
131.09059	1.8
138.09242	19.5
139.08786	3.0
140.07205	7.6
144.54755	0.8
152.07159	2.3
153.10416	1.0
154.01448	2.3
156.06566	1.1
161.03549	2.2
163.08867	1.2
164.09506	1.7
165.10292	2.9
166.08725	34.9
166.10129	1.8
167.09087	1.4
168.09053	1.4
168.10349	1.0
173.51329	0.9
179.84753	0.8
181.75691	0.8
199.18169	5.5
204.09087	2.9
209.09282	1.4
210.07690	1.7
225.16068	6.4
227.10315	1.6
233.16562	4.3
235.18135	8.9
236.11685	1.9
236.16422	1.0
236.18459	1.6
243.17111	7.7
261.16113	10.0
279.17142	7.5
281.36987	0.8
297.18314	0.9
323.16110	100.0
324.16476	11.0
340.18744	36.9
341.19025	2.9
358.19794	17.1
359.20047	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	358.1984
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
50.56814	0.9
57.02246	0.8
58.73510	0.9
59.01373	2.2
69.58380	6.2
70.02975	2.2
71.01385	2.0
81.02197	4.4
82.02981	1.8
87.05638	1.5
96.00913	9.2
98.02480	13.9
106.42895	0.8
109.01691	3.6
111.03284	1.5
113.03595	5.8
114.01978	2.8
122.06179	0.9
122.09756	1.1
130.08743	80.6
131.04605	2.0
131.09084	2.9
132.03036	1.0
138.09261	19.6
138.10309	1.4
139.08731	1.7
139.12401	1.0
140.07175	6.1
150.09216	1.0
152.07146	1.6
154.01456	1.9
156.06737	1.2
161.03542	2.3
164.09560	1.7
165.10329	1.5
166.08733	38.7
167.09077	1.1
168.09041	1.3
168.10327	1.9
178.11224	0.9
183.11333	1.1
197.16562	1.0
199.18146	5.1
204.08986	2.6
209.09218	2.0
209.20750	1.1
210.07614	0.9
225.16098	6.6
227.10446	2.2
233.16606	5.1
235.18140	6.8
236.11560	2.3
236.16394	1.2
243.17146	10.9
253.19231	1.8
261.16080	9.8
279.17157	7.9
323.16116	100.0
324.16470	11.1
340.18753	36.4
341.19183	2.6
358.19775	14.3
384.33899	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85124	1.0
59.01365	1.7
64.04310	1.1
67.10355	1.1
69.97987	6.3
70.02985	2.2
71.25562	1.2
81.02206	4.1
82.02951	1.3
82.06628	3.4
87.05629	2.4
93.28426	1.3
96.00925	11.1
96.01468	1.8
98.02478	25.6
99.02766	1.3
101.17936	1.0
106.79404	1.2
108.08180	1.6
109.01711	2.9
113.03568	7.4
114.01943	1.6
125.02430	1.9
130.08745	60.6
131.09100	2.5
138.09245	18.8
139.08751	5.3
140.07190	7.3
150.09296	1.3
163.08736	1.8
164.09525	1.9
165.10310	1.3
166.08727	25.0
168.10248	2.1
182.15477	1.5
194.08199	1.1
199.18190	3.3
218.55386	1.1
221.63164	1.1
225.16101	8.2
233.16635	3.2
235.18158	7.8
236.11671	2.4
243.17097	6.0
261.16003	7.5
279.17075	7.0
323.16113	100.0
324.16446	8.7
340.18744	43.0
341.18964	4.1
358.19849	11.0
359.20477	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	358.1982
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
57.03423	1.9
59.01382	10.5
61.98820	5.1
63.05500	1.0
65.46269	1.1
66.03494	1.4
69.91004	4.1
71.01380	5.0
73.02899	1.2
74.02473	2.0
75.00889	1.4
75.61368	1.1
80.56657	1.1
82.06612	3.5
84.02201	1.2
84.04552	15.8
85.02946	10.6
86.03268	5.1
87.00879	1.8
89.02436	1.8
93.03386	1.5
93.48357	1.0
95.01405	2.0
96.96001	2.9
98.19978	1.8
98.95584	3.1
100.86677	1.0
101.02455	2.3
102.05612	52.5
103.05928	1.5
110.02436	1.1
113.02425	2.4
115.08767	15.0
116.07177	12.7
119.03481	1.4
123.00893	17.8
125.07213	6.0
128.03542	100.0
128.34633	1.1
129.01927	1.3
129.03896	3.6
129.10327	3.4
130.08757	9.2
135.04503	5.0
136.03954	1.3
136.04898	2.7
138.03232	21.7
140.01167	1.2
143.11954	1.8
146.04607	24.2
151.03987	1.3
151.49422	1.0
152.04381	1.6
153.05589	6.3
154.12347	1.8
155.03519	2.7
155.11908	1.1
161.08197	1.4
163.03708	1.9
164.04779	2.3
166.99876	4.8
171.15028	14.3
179.07141	3.6
180.04257	2.5
181.04617	3.9
181.13423	6.3
182.02209	14.9
183.15001	7.4
185.16568	7.3
188.27367	1.3
191.01987	2.0
192.02339	1.8
195.06670	6.8
196.06944	8.6
197.04558	44.5
202.05132	1.8
211.03500	2.0
211.14519	22.7
212.14801	2.7
223.10857	12.1
228.17189	9.6
229.15582	55.7
230.15898	3.4
254.18867	1.3
270.21829	4.7
296.10291	1.6
314.20901	13.4
315.16635	2.3
340.09360	1.7
358.19824	99.0
359.09570	3.6
359.13794	1.1
359.15195	1.3
359.19940	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	359.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67031	0.5
59.01377	89.0
59.48404	0.4
60.01705	1.2
61.98825	1.6
69.36055	4.5
77.13153	0.5
89.89687	0.5
90.97137	0.8
97.51533	0.5
98.20592	1.0
115.81483	0.5
121.32754	0.5
125.82218	0.4
132.98187	2.3
157.03574	3.3
174.99248	20.6
201.02554	25.7
202.02696	2.3
204.11218	0.6
217.00287	100.0
218.00581	3.1
248.87051	0.8
256.87650	5.7
257.87811	1.1
271.86356	1.3
274.88748	8.3
274.99701	0.7
275.88919	1.1
287.85013	1.2
289.87408	1.9
298.88736	4.9
299.88861	1.1
303.34665	0.5
316.89841	11.6
317.00574	1.5
317.89789	1.7
358.91711	0.6
359.01541	4.6
360.01782	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01108	0.8
59.01380	12.0
61.98827	10.7
69.03413	0.9
69.46404	4.6
71.01398	5.2
72.99306	1.4
73.02938	1.7
74.02480	1.1
75.30783	0.6
84.04528	0.8
85.02962	3.9
87.00891	1.4
88.04057	0.8
89.02433	2.7
93.03413	0.8
95.01393	3.9
95.09480	0.7
96.95996	0.9
101.02436	2.9
102.05590	2.8
109.02929	1.0
113.02448	2.9
115.00306	0.9
115.08756	0.9
116.07148	0.7
119.03471	1.4
121.02960	1.3
123.00882	42.9
123.04512	0.8
124.01228	2.0
125.02450	1.4
128.03561	5.2
129.03920	1.3
130.08701	2.4
136.05269	1.2
137.02432	2.0
137.06053	2.7
138.03227	53.8
139.00398	0.8
139.03557	1.6
140.01138	2.1
142.04103	0.6
143.11923	1.3
146.04666	1.2
153.01941	0.8
153.05574	19.5
153.48131	0.6
154.06003	1.9
155.03539	1.1
161.08195	1.2
163.03995	3.2
164.04807	3.7
166.99847	12.4
167.03445	0.8
171.18552	0.7
175.02414	1.2
179.07112	4.3
182.02213	44.9
183.02542	2.1
185.05684	0.7
195.06627	1.6
197.04544	100.0
198.04912	5.2
202.05199	0.8
213.99329	0.8
221.00763	0.9
228.17303	0.9
229.15555	1.4
230.15926	2.6
233.66562	0.7
239.05640	1.1
249.04353	0.8
266.57455	0.7
315.16827	1.3
315.20944	1.4
327.10715	0.9
329.17886	1.0
359.05731	1.3
359.09467	4.0
359.13504	2.1
359.19928	5.9
360.10214	1.2
370.83148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01875	3.1
58.00591	3.0
58.73754	1.3
58.74965	1.3
59.01378	100.0
59.35119	1.4
61.98824	2.6
69.65016	4.6
69.65443	4.6
71.01381	68.3
72.99298	4.3
73.02959	7.9
78.01050	1.3
83.01378	6.8
85.02959	20.2
87.00864	6.3
89.02443	45.9
95.01369	6.4
98.19932	2.7
99.00870	3.6
101.02443	43.9
109.02927	1.5
113.01699	2.2
113.02451	29.2
119.03500	14.8
119.04982	1.8
121.02923	8.3
122.03761	7.8
123.00856	3.5
123.04504	2.6
125.02438	1.9
131.03453	2.2
137.02489	6.9
137.06091	2.6
139.00354	1.8
139.04022	3.0
153.05579	10.6
161.04546	2.6
164.04749	2.0
165.01984	2.6
165.05591	2.0
166.99898	1.8
179.05711	1.7
179.07156	3.0
180.04256	4.4
181.01389	5.4
182.02174	7.8
182.05881	16.5
183.06375	2.0
195.06667	6.8
196.03723	3.4
196.06895	1.5
197.04533	50.2
197.08206	55.6
198.04912	4.3
198.08556	1.9
211.06062	10.3
224.03200	5.3
239.05585	33.4
269.06601	4.9
299.07703	6.6
299.10696	1.6
327.10843	15.0
328.11237	1.8
344.07370	2.8
359.09729	78.4
359.13608	20.4
360.10083	7.1
360.14084	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	359.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93695	1.3
59.01373	7.6
62.35688	1.6
63.33501	1.3
69.51846	11.2
71.01377	5.0
71.05006	3.9
73.04070	1.3
87.04507	2.6
99.04514	12.3
101.02463	1.7
115.03999	9.2
117.05595	7.0
128.03552	2.0
130.08720	2.0
140.01149	7.9
155.03506	7.7
161.08188	100.0
162.08496	5.6
197.13039	1.7
214.59514	1.4
227.37041	1.5
243.82399	1.6
281.98080	1.5
287.36823	1.4
293.22607	1.5
298.13959	2.6
359.09702	1.8
381.62585	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07218	1.2
57.47173	1.3
59.01376	9.9
69.82673	7.8
70.96557	1.3
71.01387	5.8
71.05033	1.7
87.04534	2.0
89.02432	2.7
90.31163	1.3
99.04506	12.5
101.02437	2.3
104.20164	1.3
113.02427	2.4
115.04023	9.1
117.05574	4.6
124.04054	1.5
128.03554	4.7
130.08723	5.8
135.60973	1.5
140.01170	6.4
143.11908	1.6
155.03514	7.0
161.08200	100.0
162.08554	3.8
179.07069	1.6
195.02670	1.3
197.04533	2.3
197.08218	2.2
197.12936	1.9
247.50841	1.5
298.14035	2.6
327.10883	1.6
359.13602	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	359.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10547	0.6
59.01381	7.9
68.99821	3.0
70.16940	0.6
72.84277	0.6
76.71802	0.5
84.35535	0.5
93.03457	7.9
105.01953	0.6
105.80088	0.5
108.02183	8.5
109.02961	3.4
119.05032	1.8
121.02972	2.1
121.06604	7.7
122.03731	1.7
123.00884	2.4
123.04524	6.1
124.01667	2.0
132.02206	1.8
147.04518	2.2
148.01642	1.3
148.45134	0.6
149.02477	2.8
149.14879	0.5
150.03229	14.0
151.03941	0.8
153.05588	1.2
163.04025	3.1
164.01163	0.8
164.04790	1.2
165.05568	100.0
166.02711	1.6
166.05911	7.0
167.03534	0.6
171.10002	0.6
178.02715	22.0
179.03342	2.1
179.07144	1.4
181.05075	8.1
193.05046	24.6
194.05385	1.7
195.06703	1.0
211.06114	1.9
300.50516	0.6
301.10947	0.8
329.10416	2.7
359.11343	71.3
360.11716	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	359.1248
Annotation	3-Methoxytyramine-betaxanthin
Peak:m/z	Relative Intensity
59.01379	47.7
61.98834	22.9
69.43501	11.7
71.01387	30.8
72.00908	11.2
72.99313	1.9
73.02940	1.8
74.02446	3.7
76.88711	1.5
83.01397	1.6
85.02972	6.9
89.02452	29.7
93.03446	1.8
95.01421	2.4
98.20634	2.3
101.02435	16.8
109.03022	2.7
113.02460	11.8
119.03516	13.1
121.02991	2.1
123.00898	2.5
125.02469	2.3
133.70210	1.5
134.04787	2.0
135.04521	2.2
138.03262	4.5
138.90431	1.5
139.04047	2.3
140.01257	1.8
143.52499	2.0
149.02454	4.3
151.04044	2.4
152.04367	1.7
153.01933	6.9
154.40027	2.0
155.03481	3.0
161.02467	2.3
161.04584	2.1
164.04784	12.0
165.05516	2.1
167.03481	8.7
179.03465	12.6
179.05698	2.7
179.07111	14.8
180.04112	3.4
181.04823	1.8
182.02251	1.9
182.04724	2.0
193.06558	8.5
195.06606	4.1
196.03815	3.8
196.07004	4.6
197.04555	16.5
197.08386	2.6
207.08211	5.9
211.07729	6.4
219.08160	15.8
220.08450	2.4
223.07776	4.4
224.08440	7.6
225.09236	7.8
234.09351	3.1
236.10854	2.6
237.09229	30.3
238.09607	2.5
240.10301	3.8
241.11186	2.3
252.10254	12.1
253.08698	3.2
254.08250	3.9
254.11842	10.6
256.07397	9.2
263.07016	9.2
267.09277	1.9
273.09985	2.8
280.09802	14.2
281.08142	12.6
285.10104	3.7
296.09363	3.9
298.10754	11.9
313.11990	8.6
315.13535	2.8
315.16785	4.5
317.09091	3.5
324.08746	8.1
341.11380	43.0
341.15222	3.1
342.10065	6.5
359.12668	100.0
360.12955	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	359.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03451	1.0
58.00594	3.5
59.01379	100.0
59.52220	0.9
60.01720	0.9
61.98822	1.3
63.43566	0.8
64.75814	0.9
67.07053	0.8
69.63240	5.2
71.01381	54.3
72.99300	4.0
73.02952	1.9
75.55275	0.9
80.03656	0.9
83.01391	2.0
85.02954	9.6
87.00877	2.3
89.02444	58.4
90.02766	1.1
95.01380	4.5
98.02483	1.0
101.02441	28.6
113.02448	20.8
114.02881	0.9
119.03506	24.4
121.02969	1.3
123.00894	1.6
131.03511	2.8
134.03749	1.7
135.04510	2.9
137.02495	1.3
137.06068	1.0
138.03247	1.5
143.03470	2.2
149.02472	6.0
149.04558	1.7
149.06046	0.9
155.03551	1.4
161.04572	2.3
164.04793	29.9
165.05125	1.9
179.05635	3.5
179.07126	33.6
180.07509	1.5
181.01413	1.6
182.05893	1.2
196.03770	1.7
197.04590	4.2
197.08154	2.9
252.67671	0.8
288.48901	0.9
359.09451	1.6
359.13620	1.0
359.19922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29014	1.3
55.01875	3.1
58.00596	3.4
59.01382	100.0
61.98830	1.6
65.57971	1.4
69.45818	2.4
69.46223	6.9
71.01385	54.0
71.01775	3.2
72.99295	3.3
73.02937	4.7
83.01399	4.6
85.02947	16.1
87.00886	2.3
89.02445	57.0
95.01358	6.6
99.00864	2.4
101.02442	33.7
113.02459	21.7
115.71333	1.4
119.03513	20.2
121.02925	4.0
121.96607	1.6
122.03752	3.3
125.02396	1.5
130.08762	1.6
131.03525	1.6
135.90031	1.3
143.03566	2.9
146.03746	13.6
149.04562	1.7
161.04590	2.9
161.06055	5.4
163.03915	1.6
164.04803	11.5
179.05649	2.5
179.07103	24.4
180.07497	1.9
181.01346	2.0
182.05882	8.7
195.06537	1.7
196.03786	2.0
197.04539	9.8
197.08241	23.5
207.67513	1.5
224.13446	1.7
226.28090	1.3
239.05612	7.3
299.11078	2.2
306.07147	1.8
327.10815	6.0
332.96799	1.5
335.38519	1.7
359.09747	12.9
359.13675	6.8
360.10547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.5
57.03446	4.5
58.00603	3.6
59.01381	100.0
60.01726	2.7
69.74151	9.9
71.01383	89.9
72.08189	1.4
72.99303	4.8
73.02946	13.9
75.00869	2.0
79.12118	1.5
81.03444	2.2
81.69308	1.7
83.01379	9.6
85.02959	25.0
87.00893	9.6
89.02446	43.6
95.01393	6.0
98.19953	2.9
99.00897	4.8
101.02444	51.4
102.02776	2.4
109.06585	2.3
111.31701	1.5
113.02446	30.7
119.03501	19.3
121.02969	3.4
121.06574	3.5
122.03732	19.0
123.04540	3.4
125.02585	1.7
130.08714	2.1
131.03474	2.7
136.05319	1.9
137.02394	3.8
137.06091	2.2
139.07649	3.7
143.03450	2.2
145.06595	4.6
153.05614	3.2
153.64192	1.6
159.02977	2.0
161.04523	5.2
163.03972	2.8
164.04816	2.5
165.05528	6.1
179.05753	1.9
179.07164	8.1
180.04370	1.8
181.04747	2.3
181.20425	1.6
182.04601	2.6
182.05894	24.7
183.06334	2.8
193.08635	2.0
195.06622	4.4
196.06934	2.9
197.04549	4.5
197.08228	82.3
198.08533	5.9
212.46710	1.6
239.05704	4.0
248.91515	1.8
327.10852	56.0
328.11179	5.8
359.09689	6.7
359.13525	45.6
359.20102	2.2
360.13818	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	359.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68486	0.3
60.97487	0.6
61.20808	0.3
61.23670	0.3
63.03075	0.3
64.45608	0.3
71.27003	0.3
74.99075	0.3
82.81773	0.3
86.22949	0.3
87.62338	0.3
89.13717	0.3
98.19819	0.6
133.17186	0.3
150.06648	0.3
155.85623	0.3
161.06349	0.7
217.07173	2.4
232.98941	0.3
261.04425	0.7
275.05923	1.0
277.07532	3.6
331.14417	0.3
343.12283	0.6
355.12155	0.4
357.13858	3.0
358.14502	0.4
359.15338	100.0
360.15506	18.6
360.20163	0.7
377.16144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38119	0.5
59.01385	21.3
70.88725	1.6
70.94180	0.5
74.95676	0.6
91.63523	0.5
119.81742	0.6
134.21858	0.6
206.95082	0.6
255.79955	0.7
259.90057	0.7
277.21719	100.0
278.22073	11.8
359.22086	16.7
360.22308	2.2
364.55304	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	359.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
59.01367	0.6
61.98820	0.5
69.03442	0.4
91.76340	0.2
98.19878	1.1
111.28365	0.3
125.95489	0.3
127.11290	0.7
137.09726	0.5
139.11296	0.4
141.12796	0.8
154.84473	0.3
155.10869	0.3
185.11794	0.6
204.98985	0.3
295.22784	0.5
311.22275	0.9
311.25763	0.6
313.23843	6.6
314.24170	0.7
341.26996	1.6
357.26498	1.4
359.28006	100.0
360.28363	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	361.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25182	0.6
51.37904	0.7
52.91769	0.6
55.01880	31.8
56.02227	0.7
59.01379	3.7
65.02741	0.6
68.19023	0.6
71.01379	5.3
71.27197	1.0
71.59170	0.6
73.02943	4.8
81.39674	0.5
83.01382	8.3
85.02969	1.9
87.00880	2.2
87.97369	0.7
99.00867	1.4
101.02457	4.8
102.45995	0.5
111.00882	2.8
111.98019	1.2
112.98772	0.9
117.01953	2.2
117.07092	0.8
127.00372	4.5
129.01967	1.3
133.06627	1.3
135.13599	0.7
154.99869	100.0
155.10684	0.7
156.00192	3.7
156.02502	0.7
158.24002	0.7
161.06085	1.7
167.71365	0.7
173.00932	1.1
203.07146	1.8
210.29070	0.6
230.69011	0.7
241.77184	0.7
246.19908	0.7
246.81180	0.7
264.24545	0.6
275.14575	0.7
342.58926	0.7
361.12897	1.4
361.18393	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54734	12.7
52.61305	12.0
58.18153	12.5
59.01370	58.5
60.76786	12.9
67.41753	14.1
70.75085	29.2
71.01375	45.1
85.02918	25.6
87.00863	12.6
89.02435	19.1
91.68421	12.0
99.00877	24.8
101.02430	25.4
113.02466	15.0
124.01603	13.2
127.03965	14.1
135.04514	13.3
145.04935	16.5
151.04001	33.7
163.04012	30.5
163.06137	31.9
168.48232	12.6
175.02510	30.0
265.74811	15.3
274.87994	18.5
275.82889	14.7
296.11411	13.5
325.11288	24.3
361.09155	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	361.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	46.3
61.98816	8.8
71.01376	17.8
71.26037	6.3
78.05939	2.9
82.71348	3.1
85.02937	7.6
95.01390	5.2
101.02427	9.2
103.92023	4.0
113.02408	9.9
121.02997	3.5
123.00891	100.0
124.01752	16.4
132.49493	3.1
137.02452	3.8
138.03236	81.5
139.04044	31.3
151.04002	3.7
157.01404	3.5
161.04596	32.4
163.03943	5.5
181.05052	11.0
202.92845	3.9
301.09302	30.8
378.21408	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	361.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63144	0.7
55.07233	0.7
59.01379	6.4
61.98807	1.1
69.60131	5.1
71.01393	0.8
93.03458	3.2
93.40411	0.7
94.61049	0.7
117.03517	1.2
121.06585	3.5
122.03713	0.8
134.03725	0.8
145.02954	6.2
146.03661	1.9
147.04526	3.2
149.02460	3.2
150.03242	17.9
160.05273	1.0
161.02419	6.1
162.03230	8.2
163.04027	0.9
164.04713	1.1
165.05576	100.0
166.05879	5.5
177.05540	3.5
180.04274	1.0
195.06628	10.6
253.14452	1.5
313.10812	13.0
314.11258	1.5
330.11249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1502
Annotation	[3R-(3alpha,3aalpha,4beta,5alpha,6aalpha)]-3-[(beta-D-Gulucopyranosyloxy)methyl]hexsahydro-4-(hydroxymethyl)-5-methyl-2H-cyclopenta[b]furan-2-one
Peak:m/z	Relative Intensity
50.87604	0.8
52.05703	0.8
54.04925	0.8
55.01874	1.2
57.03435	2.8
58.00587	1.8
58.99583	1.1
59.01377	45.7
60.01787	0.8
68.48820	0.8
69.56942	0.9
71.01379	34.4
71.56362	1.5
72.99297	3.1
73.02948	4.7
75.00893	1.1
83.01382	4.1
85.02943	11.0
85.16969	0.9
87.00918	0.9
88.55193	0.9
89.01926	1.4
89.02446	19.5
95.01375	2.3
99.00880	2.1
101.02444	22.5
102.02785	1.1
107.08572	0.9
111.00835	1.0
113.02451	12.0
119.03510	8.4
119.08669	2.1
123.00822	1.0
123.04455	1.0
124.01690	1.1
125.02449	10.6
128.00603	0.9
137.02441	1.6
137.09705	1.6
145.02988	2.2
150.09077	0.9
151.03999	1.0
160.90851	1.1
167.03526	2.1
176.63072	1.0
177.01881	2.2
178.68819	1.0
179.03467	1.4
181.08661	1.8
182.66057	1.0
197.04546	9.6
199.09770	1.8
201.63113	1.0
209.04547	1.8
221.08203	2.8
227.05518	1.1
232.71756	1.1
233.52217	1.1
255.02812	1.1
265.07205	1.3
283.06131	2.1
321.04498	1.0
325.09607	1.5
338.84659	1.0
361.15021	100.0
362.15347	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25074	0.9
55.01877	3.7
57.03440	3.0
59.01107	1.5
59.01385	23.3
59.78709	0.9
61.98832	1.3
71.01381	27.8
71.10808	1.1
71.11129	1.1
72.99300	2.2
73.02947	8.8
73.31493	0.9
74.77337	1.0
75.00874	0.9
78.07314	0.9
83.01389	6.3
85.02967	13.1
87.00872	2.2
89.02436	4.9
93.03468	4.4
93.56557	1.0
95.01404	2.6
99.00892	3.7
101.02454	22.1
108.02166	1.4
109.02966	6.2
111.00896	1.3
113.02454	8.2
119.03546	1.3
119.05024	1.1
121.02966	28.1
122.03751	17.1
123.04544	2.6
124.01620	1.7
129.03447	1.6
135.04565	1.6
136.05290	1.9
137.02406	2.9
146.03708	1.0
147.04521	10.5
149.06079	1.5
154.02692	3.5
155.84932	1.1
159.02959	0.9
161.04576	3.0
161.06055	3.2
165.05579	29.6
166.05925	1.4
173.06018	1.5
173.72391	0.9
175.07553	1.0
178.06311	1.3
179.07161	10.6
180.07475	1.0
181.12305	1.2
199.13419	10.2
239.50377	1.1
314.14734	1.1
315.12439	3.3
343.17657	1.5
346.14114	10.2
361.18463	100.0
362.18732	9.6
382.66705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89236	0.4
59.01379	19.5
69.26460	0.9
69.26886	2.6
93.07358	0.4
98.20658	0.8
226.16068	0.4
261.22430	0.5
279.23279	100.0
280.23633	12.5
290.41180	0.5
361.15332	6.8
361.23584	15.8
362.15387	1.2
362.23962	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	361.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12820	11.9
58.40092	12.4
59.01371	100.0
61.98846	14.5
63.48672	11.9
71.11161	30.3
72.62160	11.3
73.73288	11.3
243.46483	13.3
269.35342	12.3
375.31799	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	361.9894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.2
60.01723	0.5
61.01811	0.4
61.98830	100.0
64.44009	0.4
71.55276	0.6
77.21202	0.4
78.91879	0.7
90.89577	0.4
95.32572	0.3
121.02969	0.6
146.26854	0.3
157.03513	0.3
159.97371	0.7
174.99208	0.5
177.96768	0.5
178.98506	0.7
201.02530	1.2
203.99962	4.2
204.02708	0.5
206.97383	0.6
217.00273	2.0
218.00600	2.5
219.00670	1.6
219.97752	46.8
220.99651	3.5
273.61667	0.3
277.96884	1.0
277.99570	0.7
319.97940	1.5
320.01117	0.7
320.97867	0.4
361.98596	4.2
362.99280	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.98359	0.5
69.96961	1.8
84.78368	0.4
91.73603	0.3
97.05212	0.4
97.26303	0.3
249.54379	0.4
257.62372	0.4
277.22012	0.4
280.22714	0.5
288.82309	0.4
361.81750	0.4
362.19684	2.7
363.20670	0.4
363.25476	1.5
366.81354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45573	0.4
54.78040	0.4
55.01882	0.7
57.03445	1.9
58.00580	1.6
59.01381	26.6
61.98837	0.7
71.01384	17.5
71.56197	0.8
72.99306	9.7
73.02954	2.9
83.01410	2.7
85.02956	6.4
86.00086	0.5
87.00854	1.2
89.02441	11.9
95.01363	1.5
99.00866	1.5
101.02445	14.4
102.02798	0.8
107.08675	1.8
111.78307	0.5
112.03216	0.5
113.02453	7.2
119.03522	5.4
119.05013	0.7
121.05369	0.6
123.03191	0.6
125.02462	0.5
136.07657	1.9
138.05606	4.2
139.11232	1.3
143.03529	0.5
145.02989	0.8
155.10785	1.1
161.04533	1.2
161.05966	0.5
163.03946	0.9
164.07161	0.7
165.05530	0.6
165.09201	0.7
172.10915	0.7
179.05679	1.0
183.10254	24.2
184.10632	2.1
201.11328	9.2
205.05013	0.9
213.05551	0.7
227.08208	1.7
228.04170	0.6
229.05022	1.1
235.06177	1.0
240.03932	0.6
242.02264	0.7
242.10588	1.5
256.03729	0.6
257.04605	4.4
257.12949	9.6
258.13196	1.1
265.07098	1.6
271.06137	0.9
272.06970	1.5
285.04025	5.1
300.06406	6.8
300.15521	0.8
301.06937	0.7
304.05957	0.7
315.08765	14.3
316.09061	1.3
345.10535	1.5
345.15494	1.4
363.11264	6.1
363.16599	100.0
364.11584	1.1
364.16782	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01420	1.3
59.01377	100.0
63.13292	1.2
67.01900	1.4
68.99799	3.0
69.33468	4.4
69.33893	8.3
71.01382	8.1
73.02926	2.7
77.03986	1.6
83.01369	2.7
84.99310	5.7
85.02948	2.3
87.00946	1.5
89.02448	3.1
93.03455	3.2
95.05026	8.6
97.02939	2.3
101.02453	4.0
107.05028	1.6
109.02937	3.6
112.98803	4.4
113.02444	3.3
115.00366	2.2
119.05016	8.5
125.02428	2.4
132.26094	1.4
137.02451	1.9
145.06586	3.9
147.04532	2.0
153.85661	1.5
158.06120	1.6
161.04489	1.6
172.14749	1.5
189.05574	4.2
195.69820	1.5
201.09172	5.2
229.03508	3.9
239.40466	1.3
250.81779	1.6
276.03854	1.8
319.08344	3.2
335.07654	8.7
363.07190	19.5
363.14505	3.1
363.20154	1.8
364.07449	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	363.1813
Annotation	Gibberellin A97
Peak:m/z	Relative Intensity
51.77745	0.8
61.07587	0.8
61.89037	0.8
62.68211	1.0
65.82519	0.8
69.23561	9.1
69.90669	0.9
98.20660	1.7
108.67403	0.9
137.09763	1.0
165.05568	1.4
165.09161	1.1
187.91531	0.8
241.15967	37.7
242.16290	3.7
244.12117	0.9
247.79173	0.9
255.17569	2.4
257.19101	15.6
258.19336	1.3
258.52396	0.8
269.59241	0.9
275.20212	3.6
283.17038	3.7
301.18069	42.1
302.18472	7.1
302.21469	1.2
319.19168	4.6
345.17032	14.1
346.17429	2.0
363.18106	100.0
364.18484	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	364.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	16.1
59.21699	5.0
61.98827	100.0
67.67015	5.4
71.56096	8.8
89.88129	5.9
107.01389	6.4
121.02921	10.4
151.00398	43.9
178.99817	12.5
301.03574	78.1
302.03882	7.4
382.31076	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	364.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01144	3.0
59.01379	31.4
61.98831	100.0
71.01373	11.0
71.55121	3.3
71.55486	3.2
72.99271	2.6
85.02967	3.5
89.02437	9.0
92.83998	2.7
96.56656	3.3
96.95970	3.0
96.96949	12.6
100.97144	2.7
101.02466	5.1
105.72528	3.1
111.38391	2.8
113.02437	4.6
119.03439	4.0
134.04727	3.6
138.75552	2.8
161.04553	4.9
183.09143	3.5
199.02571	3.0
365.14352	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	364.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01824	1.7
53.87712	1.8
59.01367	6.0
61.98805	4.7
71.55194	2.3
80.02671	2.3
83.58703	1.9
91.54454	1.7
93.02864	4.7
93.03459	100.0
94.03786	2.4
95.05029	13.5
104.74505	2.2
127.69771	1.7
167.04950	2.0
169.06587	4.7
213.05608	4.3
223.07613	8.4
247.11205	2.4
249.12820	5.3
265.12354	6.0
275.10965	2.4
278.09348	2.9
293.11844	60.7
294.12161	5.8
337.10666	9.1
347.25864	3.3
374.94049	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	364.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.4
61.98832	100.0
67.75078	0.6
69.45981	4.4
72.50185	0.7
98.19916	1.4
134.16222	0.7
163.11252	0.7
198.83447	0.7
202.27356	0.6
279.23480	0.7
364.21167	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	364.9638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15054	0.3
59.01383	3.0
61.98831	100.0
63.99245	0.3
69.22204	4.0
69.84187	0.4
72.92300	0.3
78.91899	0.5
80.52092	0.3
80.91669	0.6
102.31451	0.4
108.77097	0.3
121.02934	0.4
133.41418	0.4
135.95667	1.0
164.94623	0.4
178.98537	0.4
180.94148	8.0
183.05989	0.4
195.92903	0.4
206.97426	4.0
207.97658	0.4
219.97769	1.1
220.99730	2.1
222.95212	74.7
223.95355	0.7
223.97263	0.8
322.95422	0.8
364.96661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0873
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
57.10536	0.4
58.37611	0.4
59.01379	4.5
59.27023	0.4
60.84704	0.4
61.98856	0.4
65.90648	0.5
69.96608	1.6
71.01386	1.5
73.02936	1.0
80.37372	0.4
83.72206	0.4
83.86015	0.4
85.02956	0.5
89.02462	1.2
101.02405	0.8
113.02451	0.6
141.63437	0.4
145.02957	1.1
147.04588	0.6
157.02928	0.4
158.03725	14.2
159.04517	6.6
161.04561	0.5
171.04530	2.3
173.02446	0.6
174.77643	0.4
201.01909	1.1
201.05573	2.6
202.02708	100.0
203.03162	8.2
213.05554	2.4
227.03606	0.5
231.06630	1.8
245.04651	1.2
275.05640	2.4
275.94510	0.4
305.16248	0.5
365.08749	42.4
366.09067	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77088	1.1
57.03441	2.4
58.00568	1.8
59.01381	100.0
60.01706	1.3
61.98822	3.4
69.68819	2.1
69.69218	5.2
71.01384	43.3
72.99316	2.8
73.02927	4.8
74.02444	1.2
83.01380	2.4
85.02957	11.3
87.00877	2.9
87.04540	1.8
89.02450	47.8
92.05064	2.2
95.01363	3.0
96.00867	1.4
97.06558	1.3
98.19904	1.9
99.00835	1.9
101.02444	24.7
104.05092	1.6
107.94319	1.1
112.04018	5.1
113.02464	16.0
113.03202	1.8
113.03601	2.0
118.06628	5.9
119.03517	17.3
122.06131	6.0
123.03335	1.3
124.04062	5.9
124.07644	1.4
125.06094	3.4
131.03464	1.5
134.06099	4.1
135.41464	1.4
138.05606	10.0
143.03485	4.1
144.04517	1.3
146.06125	7.4
148.04048	12.4
149.04469	2.0
150.05585	6.4
152.07167	2.9
160.03963	2.2
161.04596	11.8
161.07204	3.2
162.05608	23.6
163.05986	1.6
164.07153	4.3
178.05098	45.1
179.05559	8.9
180.06610	2.3
181.84731	1.5
183.99243	1.3
184.06146	11.1
185.06302	1.4
190.05054	2.4
200.10762	1.6
203.12851	4.7
206.04585	1.5
208.53467	1.2
211.08762	1.5
224.10774	3.9
241.13420	3.7
242.11917	10.9
243.11539	4.6
252.08977	4.2
255.07687	1.3
255.11281	2.1
259.02295	1.5
260.12869	2.2
267.11383	18.0
268.11774	1.4
269.09229	1.6
285.12460	30.8
286.12680	3.6
303.13510	4.2
305.12411	11.4
329.11426	32.3
330.11588	3.2
335.13272	1.5
347.12500	9.0
348.12579	1.4
365.13654	14.5
365.18179	11.7
366.13623	2.4
366.18536	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07780	0.5
55.01878	1.1
57.03439	1.0
57.94868	0.4
58.00599	1.1
59.01381	17.6
66.64137	0.4
66.95373	0.5
71.01381	11.6
71.05006	0.5
71.52483	0.7
72.99334	0.5
73.02946	3.5
79.11224	0.5
83.01380	2.9
85.02950	5.5
87.00882	1.3
89.02447	4.4
95.01380	0.6
99.00863	1.3
101.02456	9.7
104.15027	0.5
105.73479	0.5
106.06675	0.5
113.02455	4.5
119.03489	1.7
127.11301	1.2
155.10872	0.5
157.12317	4.8
161.04456	0.9
172.48424	0.4
176.27646	0.4
185.11841	2.7
203.12877	12.9
204.13179	0.6
238.80612	0.5
246.47330	0.5
255.22929	0.5
299.03046	0.6
347.17056	0.7
365.18152	100.0
366.18491	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03434	0.6
59.01382	20.3
69.83869	2.2
71.01387	10.1
71.05036	0.8
72.99320	1.3
73.02949	3.2
79.65917	0.5
83.01405	2.4
85.02953	5.2
86.00085	0.5
87.00909	1.0
89.02455	4.1
95.01421	0.9
95.05000	0.5
98.19883	0.9
99.00872	1.2
101.02443	9.7
111.00869	0.8
113.02443	4.8
114.02756	0.5
118.71773	0.5
119.03508	1.3
119.04958	0.4
123.04527	1.1
139.11235	0.9
142.06734	0.5
143.03398	0.5
152.54147	0.5
157.12384	2.5
159.03027	0.6
161.04576	1.4
167.03552	2.8
185.11824	4.2
191.03436	1.0
203.12869	5.6
222.49536	0.5
257.59131	0.6
305.16034	1.4
329.08643	1.2
347.16788	0.7
365.18149	100.0
366.18457	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	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92858	0.9
55.01876	2.4
57.03439	1.9
58.00594	2.6
59.01381	100.0
60.01694	1.7
69.40066	4.0
69.40496	3.3
71.01382	73.9
72.01723	2.1
72.99318	4.0
73.02950	11.6
83.01393	6.2
85.02955	23.1
86.00111	1.3
87.00870	6.1
87.04530	4.4
89.02444	73.3
90.02786	1.0
92.72329	1.1
95.01378	3.9
97.06585	9.9
99.00890	3.6
101.02447	46.2
109.06604	4.1
113.02450	27.3
115.07649	2.0
119.03513	27.7
125.02438	0.9
127.07661	2.3
131.03497	5.2
143.03526	5.8
143.45297	1.0
147.04488	1.0
149.04616	2.0
149.09677	1.6
159.02991	1.5
159.06656	1.4
161.04556	21.4
165.05580	2.8
179.05632	10.0
185.11778	1.3
203.12888	11.9
221.06668	1.2
255.87526	1.0
274.08542	0.9
277.12964	2.2
305.12299	1.5
365.18167	25.4
366.18402	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	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	7.5
61.77813	0.9
61.98831	3.2
63.68877	1.0
71.01370	1.5
71.55889	0.9
79.80180	0.9
83.05023	1.9
85.02949	0.9
91.29948	1.0
96.96039	1.8
111.08165	7.9
125.11978	0.9
146.96503	1.0
167.10783	2.2
173.44243	0.8
177.12856	2.8
179.10793	2.0
180.02214	0.9
185.11856	1.0
195.13924	6.6
203.63348	1.0
235.27945	1.0
247.20715	1.6
273.18607	1.8
291.19666	100.0
292.20062	12.7
365.23315	1.1
366.26569	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69065	25.4
56.39484	26.3
59.01378	99.9
62.93176	27.7
64.93293	29.5
96.76445	26.4
98.19889	90.1
101.02424	30.3
109.34859	25.9
173.11400	29.2
176.98416	28.3
208.91792	30.1
283.26355	100.0
345.51456	37.1
349.15161	31.7
365.26865	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2694
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
59.01359	0.9
63.15987	0.4
69.22211	1.3
69.22637	3.0
77.97601	0.4
80.35806	0.4
85.06575	2.7
117.49486	0.4
173.23433	0.5
199.13387	3.1
199.59506	0.5
219.17522	2.5
261.18466	1.0
279.19659	18.0
280.19989	1.9
321.27338	0.5
347.25970	6.3
365.26941	100.0
366.27304	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	366.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.21503	1.1
61.98831	100.0
62.22476	1.1
71.01383	2.4
71.56979	2.1
73.76942	1.2
77.44592	1.2
91.05518	6.4
144.93233	1.2
148.58385	1.3
153.05623	1.3
165.05589	1.8
174.01718	1.9
209.08199	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	367.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	8.7
59.01377	100.0
61.98820	12.5
71.01379	30.8
71.91973	6.8
73.02937	29.5
74.22332	7.3
78.33452	8.3
83.01340	9.0
83.05014	16.4
85.02947	18.9
89.02457	17.3
97.02956	7.8
99.04456	8.4
101.02435	35.5
103.04018	19.3
113.02457	11.3
119.03498	11.5
131.03429	11.7
161.04536	7.7
163.06148	26.8
190.02704	14.3
199.13222	10.3
205.04961	10.9
229.15459	11.2
257.04507	16.1
269.07639	9.6
272.06763	18.7
287.09225	15.6
307.10229	9.2
367.04880	22.8
367.21219	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	367.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19258	0.7
57.03453	1.6
59.01378	9.3
69.03455	0.8
69.43958	2.7
69.44382	3.0
71.01385	4.4
73.02956	1.2
75.00880	0.8
78.95939	0.8
83.01385	0.8
83.05019	1.6
84.19983	0.7
85.02959	1.3
89.02488	0.9
96.96044	0.7
97.06565	0.7
99.00892	3.3
99.04538	0.9
101.02450	1.5
110.98553	1.1
113.02482	1.6
119.05000	0.9
121.02943	1.6
135.04509	0.7
140.01169	1.3
147.04501	1.7
148.05304	100.0
149.05632	7.1
163.07648	69.3
164.07954	3.8
167.06134	1.0
177.05542	1.4
190.02614	0.9
199.13379	27.5
200.13799	2.1
205.05034	1.0
275.12891	0.8
279.12491	1.9
287.09259	1.9
307.12067	4.0
314.40253	0.9
367.04660	1.7
367.13919	14.6
367.21481	2.9
368.13809	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	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98825	29.5
69.64577	92.1
71.01381	35.0
73.02953	19.8
73.04067	43.9
78.89041	14.3
83.02489	13.7
85.02961	12.9
89.02430	15.6
97.02968	13.5
113.02462	21.3
132.36029	16.9
164.07137	21.2
205.05038	16.2
210.60582	13.0
301.93399	15.8
328.94040	15.2
367.10480	15.5
368.16147	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	367.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09665	6.3
59.01376	71.7
61.98831	18.1
71.01381	100.0
72.99307	8.1
73.02937	17.2
75.36544	6.6
81.05261	6.2
83.01402	9.1
85.02947	79.5
89.02455	16.2
95.01393	9.0
97.02940	7.9
99.00867	13.8
101.02457	15.2
113.02445	83.6
114.02778	8.9
116.03040	6.4
119.05001	7.7
129.02013	12.7
134.03778	10.6
136.05312	13.3
138.06859	13.5
151.07646	10.2
152.08420	75.1
153.09174	69.4
161.04536	16.5
162.06854	21.0
163.07579	17.3
164.06636	7.1
175.04005	11.4
187.11244	6.7
193.05019	8.5
202.02731	8.3
204.03123	7.6
205.04988	7.5
205.12326	88.3
206.12634	10.8
214.48528	7.0
233.40672	7.5
307.10272	8.2
310.24744	8.0
367.09659	13.1
367.17670	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	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66801	22.0
59.01367	99.3
69.64318	54.7
69.64729	100.0
71.01383	61.3
73.52732	22.3
85.02962	28.8
88.45581	28.3
91.13182	28.2
92.05983	25.8
98.20579	46.9
102.30864	25.2
108.88323	26.0
115.55994	22.7
119.05012	35.3
163.04037	30.5
166.36403	25.6
167.48404	28.4
190.35796	26.4
194.83553	25.5
367.15067	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	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98825	29.5
69.64577	92.1
71.01381	35.0
73.02953	19.8
73.04067	43.9
78.89041	14.3
83.02489	13.7
85.02961	12.9
89.02430	15.6
97.02968	13.5
113.02462	21.3
132.36029	16.9
164.07137	21.2
205.05038	16.2
210.60582	13.0
301.93399	15.8
328.94040	15.2
367.10480	15.5
368.16147	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	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13323	12.2
59.01383	100.0
66.25205	12.3
66.80324	10.0
67.40926	12.2
71.01382	24.0
71.56593	15.5
72.99270	13.8
74.78573	10.6
81.99487	9.9
83.01357	15.3
83.05047	10.2
85.02957	13.5
89.02455	16.1
92.18768	10.3
101.02431	26.8
122.19157	10.8
163.06079	17.1
175.00395	15.8
190.02690	24.1
205.05022	24.6
367.10394	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	367.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65917	0.7
59.01381	100.0
60.01709	1.7
67.53358	0.6
69.70863	4.6
71.01370	4.7
73.02969	1.6
73.75999	0.7
83.01410	1.2
84.23649	0.7
85.02956	2.8
85.24889	0.8
89.02446	1.2
90.11756	0.7
97.96261	0.7
98.20745	0.8
99.00880	1.4
101.01868	0.7
101.02416	4.2
111.00922	2.2
113.02455	1.8
123.04509	3.6
130.93427	0.7
145.02888	0.8
161.04515	3.5
167.03488	11.4
168.03906	0.9
173.00986	0.9
179.03471	1.5
191.03540	2.4
211.99506	0.9
234.47214	0.9
268.12079	0.7
306.18756	0.7
307.17618	8.8
329.08875	2.8
331.66074	0.9
367.18756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.3
58.05087	0.9
58.86089	1.1
59.01380	100.0
60.01709	1.5
61.13194	1.0
61.31953	1.1
61.98820	1.2
71.01385	13.4
71.52179	1.5
72.99302	1.3
73.02952	5.2
78.61312	0.9
83.01373	1.2
85.02940	11.0
87.00888	3.3
87.31853	1.0
89.02460	3.9
97.02934	1.3
99.00909	1.3
101.02436	8.8
111.00904	3.5
113.02454	9.2
115.00362	1.5
117.03460	6.2
119.03500	1.2
119.05022	5.7
145.02950	19.3
151.07613	1.8
152.08401	4.4
153.09210	4.3
161.02385	1.1
161.04521	4.5
163.04031	5.0
168.91011	1.1
173.00934	1.4
174.01718	2.3
175.02455	2.5
191.04024	1.3
191.05531	6.5
205.05115	1.3
205.12320	3.8
221.06757	1.4
221.79092	1.0
265.76761	1.1
272.78033	1.1
295.28693	1.3
307.17575	11.0
342.52829	1.1
367.10565	2.3
367.18585	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	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
51.14651	0.7
59.01387	1.5
61.98823	1.2
68.10703	0.8
70.82983	0.9
70.83324	1.2
72.08511	0.8
79.95741	1.0
114.09644	0.7
120.32579	0.8
133.06590	13.9
133.07527	1.2
149.09718	100.0
150.10051	5.4
170.00468	0.9
183.01205	12.3
194.09558	1.2
197.02769	34.7
198.03459	4.0
205.15967	57.5
206.16325	5.4
211.04333	1.4
216.00938	1.0
224.57697	0.7
230.02493	3.6
253.09096	1.1
267.66739	0.8
281.12320	1.2
287.38693	0.7
295.16968	4.6
328.16888	2.6
367.22955	77.8
367.26547	94.8
368.23245	10.6
368.26862	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	367.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
71.11005	1.2
79.95759	0.8
100.16721	0.7
133.06599	2.6
149.09718	96.9
150.10049	6.0
183.01186	8.1
189.12843	1.1
197.02744	12.2
198.03476	1.5
202.95425	0.7
205.15965	96.6
206.16322	8.5
230.02544	0.9
262.15271	0.7
305.28394	0.8
343.69678	0.7
367.22861	24.5
367.26407	100.0
368.23163	3.6
368.27002	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	368.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.5
58.00586	4.1
59.01379	65.3
61.98830	100.0
69.65076	2.5
69.65483	7.4
71.01381	64.1
72.99305	4.9
73.02943	3.7
77.87090	1.6
83.01389	4.1
85.02943	12.9
87.00862	3.4
89.02441	78.5
95.01366	2.5
98.20593	3.8
101.02448	29.5
111.00918	1.8
113.02460	21.8
119.03497	27.5
121.06586	3.0
131.03537	1.8
137.09711	21.7
143.03503	3.4
147.04478	1.8
149.04466	2.0
157.09764	3.1
161.04567	5.5
164.07170	2.8
179.05614	5.8
210.15456	1.7
215.05774	1.9
219.15062	2.8
253.65822	1.6
305.15170	8.2
316.22931	1.8
355.22543	2.0
390.57498	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	Unknow
Peak:m/z	Relative Intensity
50.14977	1.0
52.58708	0.9
53.63815	1.0
53.73450	0.8
55.01875	4.1
57.03454	17.3
59.01375	2.8
63.70413	0.9
64.92784	0.9
67.01892	1.3
68.99821	1.4
70.16928	3.4
71.01382	8.4
72.99326	4.8
73.02940	2.6
75.00874	2.8
81.03464	2.8
83.01386	10.7
84.02166	2.5
85.02953	100.0
86.03294	2.5
87.00877	3.0
98.11631	1.0
99.00873	2.6
99.28890	0.8
101.02416	5.9
103.01405	0.8
103.03954	1.1
107.96032	0.9
111.00879	31.4
112.01208	1.3
113.02441	1.2
115.00443	1.4
119.05027	9.9
125.02441	5.8
129.01950	36.6
130.02214	1.2
143.03404	1.1
145.02969	1.5
147.02971	1.7
161.04524	2.3
163.04004	8.7
165.05597	1.1
173.00883	1.5
175.02446	1.0
187.02422	2.5
205.03522	27.1
206.03819	1.4
223.04582	40.3
224.04881	1.6
236.82597	0.9
347.95947	1.0
369.08154	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64392	1.1
55.01881	5.6
55.49320	1.0
57.03450	17.1
59.01378	1.8
60.63672	1.1
67.01906	1.8
71.01396	6.4
71.07823	2.4
72.99277	1.4
73.02958	2.7
75.00849	1.7
83.01379	11.2
84.02174	2.3
85.02954	100.0
86.03294	1.8
101.02464	5.6
110.10564	1.1
111.00152	2.0
111.00889	27.5
114.42556	1.1
119.05037	11.1
129.01950	36.2
145.02969	1.5
149.41710	1.1
152.86295	1.1
161.04591	1.9
163.04001	9.2
187.02467	2.2
205.03526	22.8
223.04587	34.2
224.04900	2.2
308.80447	1.1
364.65884	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.4
57.03450	18.0
58.97958	1.0
59.01368	3.6
67.01873	1.2
69.59666	6.9
71.01039	1.1
71.01378	7.1
72.99307	2.8
73.02938	2.7
75.00887	2.5
83.01371	9.4
85.02949	85.5
86.03284	1.9
87.09792	1.1
89.31295	1.1
96.98611	1.1
101.02458	8.0
111.00878	31.4
119.05024	6.6
125.02461	1.4
129.01955	28.7
135.35068	1.0
143.03468	1.2
144.35696	1.2
144.74760	1.3
147.03018	3.4
161.04532	1.5
163.04002	6.6
187.02527	2.5
205.03511	28.4
223.04587	100.0
224.04979	3.6
225.12720	1.1
225.15549	1.1
292.31747	1.4
349.56787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88240	0.9
55.01884	5.5
57.03191	1.6
57.03452	20.8
59.01370	2.6
60.16053	0.9
67.01886	1.3
68.99800	1.3
70.55314	3.1
71.01378	6.9
72.99300	1.6
73.02943	2.9
75.00864	2.1
83.01385	10.3
83.52547	0.8
84.02167	2.7
85.02953	100.0
86.03278	2.8
86.59422	0.9
96.57794	1.0
99.00883	1.2
101.02450	5.1
111.00883	28.8
119.05028	11.4
120.05347	1.1
129.01941	36.8
130.02274	1.6
145.02957	1.6
145.94193	0.8
147.03012	1.3
159.02933	1.1
161.04520	2.0
163.04028	8.8
173.22197	1.1
187.02480	1.4
205.03525	22.6
206.03905	1.0
223.04582	40.7
224.04955	2.4
326.83972	1.1
351.75198	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.8
57.03453	14.7
59.01372	4.7
60.12123	1.1
70.55235	2.1
71.01383	7.0
72.99306	1.8
73.02964	2.9
75.00864	2.9
82.61605	1.3
83.01393	7.7
84.02171	3.0
85.02952	86.0
86.03267	2.0
87.00900	1.3
88.65936	1.2
101.02439	8.3
104.98509	1.1
111.00880	37.8
112.01162	1.6
115.64127	1.1
119.05034	5.7
122.27576	1.1
129.01952	29.3
147.03023	2.3
161.04544	2.8
163.03979	4.3
187.02391	1.9
192.90044	1.1
205.03531	36.8
223.04578	100.0
224.04880	3.4
243.39543	1.2
245.10437	1.2
252.47855	1.2
334.74445	1.5
340.32114	1.3
368.45822	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.6
59.01381	9.2
61.98815	1.4
67.01879	2.4
71.01386	13.7
72.99295	3.3
73.02942	1.1
83.01383	3.4
85.02950	27.6
86.03255	0.8
87.00877	39.3
88.01187	0.9
107.58969	0.7
108.13921	0.8
112.98815	2.4
113.02458	1.5
115.00376	31.4
116.00721	1.3
123.19379	0.8
129.01936	5.5
134.34523	0.7
137.96347	0.8
148.24252	0.7
154.88821	0.7
157.01431	32.9
158.01784	1.8
167.14427	1.1
175.02473	19.1
176.02858	0.9
183.01273	1.4
183.13910	8.8
193.12355	2.4
211.13396	100.0
212.13724	7.7
268.90109	0.7
339.08774	1.1
369.15421	26.1
369.22675	1.8
370.15939	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	369.3006
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
58.18743	1.7
59.01373	2.3
61.98839	4.6
73.63910	1.7
87.00916	1.9
105.01930	3.6
170.30501	1.8
237.31805	1.8
307.30054	57.6
308.30444	9.2
311.16849	4.2
351.28973	18.5
352.29358	2.5
369.30109	100.0
370.30289	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	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90787	0.4
59.01380	5.5
61.98822	1.0
62.06810	0.3
63.59158	0.4
69.03455	11.8
71.01382	1.2
71.56522	0.4
71.56958	0.5
79.01884	8.8
81.03433	0.5
85.02946	0.6
93.03455	0.4
95.01376	2.5
97.02953	7.1
101.02474	0.5
107.01391	24.4
108.01656	0.7
108.02248	0.5
113.02414	0.6
119.04970	0.5
121.02959	1.0
123.00896	3.7
125.02445	14.4
133.02937	0.6
135.00887	25.0
135.04538	0.4
136.01614	0.8
137.02512	0.8
149.02423	0.9
151.00374	18.3
153.01958	0.8
159.16849	0.4
163.03976	1.0
165.01923	0.9
166.02713	100.0
167.03491	35.3
167.06995	0.6
168.03836	1.6
177.01926	2.5
179.03433	0.5
191.03647	0.4
209.04552	3.7
221.04510	0.9
227.68953	0.4
269.26938	0.4
339.07358	0.9
371.09793	8.7
371.17065	0.7
372.10394	0.8
382.28531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.5
57.03187	1.6
57.03451	19.8
59.01386	5.8
68.99820	1.1
69.57497	4.0
69.57905	2.5
71.01376	8.3
72.99317	1.3
73.02937	2.6
75.00877	2.3
75.30155	0.9
83.01374	8.9
84.02163	2.0
85.02953	100.0
86.03303	4.0
87.00863	1.1
88.04052	2.2
88.04552	1.0
89.02456	1.0
93.03455	1.5
99.00896	0.9
101.02432	5.7
102.05631	1.6
108.02185	1.5
111.00884	30.6
113.02386	1.0
119.05028	1.6
128.03529	2.9
129.01944	42.3
130.02303	1.8
131.02307	1.6
161.04562	3.5
164.08473	1.7
165.05592	9.4
176.01157	9.7
187.02454	2.3
191.03479	16.5
192.03848	1.2
194.14804	1.0
197.04596	1.0
197.16405	1.0
205.03526	26.3
206.03879	2.2
209.04559	6.3
223.04555	7.4
224.04855	3.0
225.04961	5.4
243.17096	1.3
251.05702	6.1
253.48157	1.1
255.18172	1.1
281.06711	2.5
333.60260	1.1
353.08835	1.1
371.09799	4.0
372.21292	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	371.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05675	0.7
59.01381	100.0
60.01727	1.2
67.56414	0.9
68.71831	0.7
69.69096	4.7
71.01382	4.5
71.05627	0.7
72.33599	0.7
78.19274	0.9
89.02464	3.1
101.02468	2.9
119.03477	1.5
130.08768	1.0
371.13525	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	371.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.2
65.87255	1.7
70.88643	1.8
70.88957	3.1
71.01375	5.8
71.30927	1.6
74.02472	18.1
83.01388	2.2
85.02969	2.1
87.00890	2.2
88.85065	1.5
90.00181	2.3
96.03293	8.5
97.04073	13.1
111.05641	2.8
115.00332	4.5
119.05018	4.9
134.03685	2.2
145.01434	5.7
163.04025	2.3
175.02457	3.1
178.02861	2.1
184.76332	1.9
193.05031	4.5
219.15036	1.9
224.16638	2.6
232.13409	2.3
236.16423	2.6
246.14967	4.7
249.19624	3.2
250.14441	3.1
250.18135	2.0
261.16168	1.6
264.16013	3.7
275.17633	4.9
293.18695	50.1
294.18948	3.6
319.16693	2.8
325.17801	2.9
337.17676	100.0
338.17932	12.4
339.14276	2.2
353.49609	1.6
371.16214	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	371.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	1.1
59.01389	11.1
67.01894	2.0
69.30280	4.7
69.30699	1.9
70.49678	0.7
71.01382	13.5
72.99310	1.6
73.91042	0.7
83.01401	2.9
85.02953	25.7
85.03461	1.6
86.03336	1.1
87.00879	38.6
88.01192	1.2
88.88492	0.7
90.21343	0.8
92.71687	0.6
93.96716	0.6
99.34775	0.7
109.00588	0.7
110.01772	0.7
111.00881	1.3
112.98822	2.8
113.02456	1.2
114.99555	1.7
115.00377	33.6
119.05006	4.8
129.01950	5.3
145.01451	0.9
145.03011	1.1
157.01425	30.0
158.01775	1.7
163.04024	3.0
167.14362	0.8
175.02484	17.5
183.13898	16.2
184.14180	1.2
195.13901	15.4
196.14214	1.3
211.13506	1.3
213.14958	100.0
214.15298	7.7
229.90691	0.7
276.92987	0.8
329.34506	0.8
371.12326	1.7
371.17059	39.7
372.17383	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	371.2186
Annotation	TMC-96
Peak:m/z	Relative Intensity
50.52576	0.6
50.73827	0.6
53.86349	0.6
59.01376	7.5
61.98829	1.1
70.63412	0.7
71.01390	1.4
71.56130	1.0
74.02489	0.7
81.02988	1.2
81.03458	18.1
83.01385	1.2
83.05027	53.2
84.05343	1.3
85.02949	1.0
89.02426	0.8
91.01844	0.6
93.03437	0.8
96.91434	0.7
100.07684	15.1
112.86688	0.7
121.02946	0.7
123.04522	12.5
125.02438	1.7
126.05585	1.7
127.04003	0.9
130.08734	3.8
135.00932	1.1
149.02437	0.7
164.90915	0.6
166.02753	1.0
167.03496	33.4
168.03773	1.2
169.33260	0.7
173.25755	0.6
182.15546	1.1
191.03506	5.9
199.18158	11.7
200.18477	1.1
207.14909	0.9
209.04588	3.1
225.16124	12.1
226.14384	0.8
226.16373	1.4
243.17114	33.3
244.17415	3.1
264.08344	0.7
269.15097	3.0
283.39102	0.7
309.21890	1.8
327.22919	0.9
353.20850	9.5
354.20871	1.3
371.21848	100.0
372.22119	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39456	32.7
58.76112	30.3
59.01369	100.0
61.98817	51.5
62.47493	28.8
66.43378	35.2
71.54881	44.6
87.26840	26.7
120.05382	32.7
178.02083	31.1
384.43338	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60859	0.9
52.10103	0.9
53.24546	0.8
55.01880	0.9
57.03441	2.4
58.21611	0.9
59.01143	0.8
59.01385	9.1
66.03458	1.1
70.01934	2.7
70.02340	1.4
71.01384	2.6
73.02941	1.4
74.02466	1.4
82.02979	1.2
82.06612	4.4
83.01390	1.9
84.04550	18.8
85.02953	14.5
86.03299	4.8
87.00860	0.9
89.02451	2.6
101.02423	2.8
102.05610	50.0
108.02208	1.0
109.02965	1.0
111.00868	3.4
113.02470	1.1
119.03447	0.9
123.04502	1.5
124.20107	0.8
128.03542	100.0
129.01949	4.9
129.03857	3.7
129.10330	14.6
130.02229	1.9
130.08742	19.7
132.97762	1.0
139.08788	4.7
143.11829	1.0
146.04588	25.6
149.02435	1.1
149.06004	1.0
150.03236	1.0
153.01929	1.2
154.12360	2.1
155.11893	2.3
161.04575	1.0
164.08376	1.4
165.01878	1.1
165.05577	1.9
165.08777	1.3
171.15019	15.3
176.01208	0.9
191.03482	1.7
192.03944	2.1
195.15047	5.4
196.03783	1.5
197.16554	6.5
199.18100	5.1
205.03476	1.6
206.03854	2.2
209.04448	1.5
210.04919	1.7
211.06108	2.9
215.13994	2.5
223.10872	11.4
224.04834	0.9
225.16074	18.9
226.16293	1.3
242.18758	6.8
243.17110	43.7
244.17441	3.1
251.05647	1.2
252.05884	3.3
282.06799	1.1
284.23401	3.7
295.06229	1.3
306.55383	0.9
328.13889	1.1
328.22449	13.9
372.21362	84.7
373.21625	10.5
385.95792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1137
Annotation	Citrifoside
Peak:m/z	Relative Intensity
58.75634	1.0
59.01379	24.0
69.38402	3.9
69.38827	4.0
71.01386	14.1
72.99320	1.6
73.02953	1.4
75.00901	1.2
81.03455	1.8
83.01391	1.5
83.33706	1.0
85.02963	5.8
87.00873	4.8
89.02450	13.2
95.01385	2.4
101.02435	9.0
108.02192	14.0
109.02995	1.4
110.00090	2.9
111.00902	1.4
113.02456	5.0
115.00393	4.5
119.03537	5.0
122.03771	2.0
123.00915	5.0
123.04520	9.5
124.01665	3.3
124.04852	1.4
125.02457	2.8
128.03569	1.4
134.03770	2.3
137.06052	1.4
137.99597	2.4
139.00336	1.1
149.02449	2.7
150.03212	11.5
152.01114	1.8
153.01936	31.7
154.02557	2.5
160.01581	1.0
165.01947	3.7
165.05551	2.8
166.02672	2.6
167.03459	3.2
168.04298	12.2
169.05048	5.5
175.02472	11.5
177.01834	1.7
178.02711	49.4
179.03134	3.7
181.05069	3.7
193.05060	100.0
194.05406	6.5
195.02994	1.5
209.04332	1.0
211.06084	1.4
215.00414	1.1
222.41241	0.9
319.09796	1.1
343.10303	5.9
373.11380	11.4
374.11768	1.3
379.89249	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.114
Annotation	Citrifoside
Peak:m/z	Relative Intensity
54.35333	1.1
59.01382	17.9
69.93214	2.1
69.93611	2.4
71.01382	12.2
73.02943	2.1
75.00869	3.6
84.18660	1.1
85.02965	4.0
87.00876	3.2
89.02445	8.5
94.29533	1.3
95.01415	2.1
101.02454	7.0
107.00362	1.3
108.02170	32.2
109.02973	14.5
113.02471	5.2
119.03461	2.1
122.03740	8.2
123.00909	7.2
123.04543	20.6
124.01666	5.3
124.04848	1.3
132.02167	2.3
136.01633	2.6
137.02437	5.5
137.06047	6.1
145.06128	1.2
148.01701	2.3
149.02458	1.5
150.03227	42.9
151.04005	1.3
153.01848	1.6
153.05595	1.8
161.04550	1.1
162.03189	1.3
163.04042	2.3
164.01176	3.0
165.00537	2.5
165.01923	41.2
165.05542	6.5
166.02707	19.6
167.03462	5.9
177.01938	4.4
178.02710	39.3
179.03354	4.4
180.04324	1.3
181.05060	36.5
182.05328	2.1
193.05052	100.0
194.05354	6.2
195.03004	2.1
211.06134	1.2
252.58861	1.1
328.07956	9.8
343.10315	97.2
344.10635	9.4
347.33539	1.3
355.10336	16.1
356.10583	2.1
373.11395	35.3
373.16202	1.7
374.11771	4.9
385.48630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.7
59.01380	19.3
61.98843	0.6
69.77268	3.2
71.01384	9.9
72.99298	0.6
73.02928	0.8
73.06079	0.5
83.01370	1.0
85.02950	2.0
89.02451	10.3
95.01392	1.7
95.42396	0.5
96.75270	0.5
101.02436	6.4
107.01432	0.9
108.02164	10.4
111.00900	1.3
113.02441	4.1
119.03491	4.5
122.03743	1.7
123.00887	4.4
123.04540	3.7
124.01656	2.3
135.00870	0.6
136.01662	1.5
137.06012	1.2
149.02457	2.2
150.03229	9.2
151.00363	0.7
151.03661	0.7
153.01912	0.8
165.05568	1.2
177.01950	2.2
178.02707	41.7
179.03050	3.0
193.05045	100.0
194.05429	5.6
300.59073	0.5
373.11304	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	373.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31997	0.7
56.48606	0.7
59.01381	100.0
60.01719	0.9
65.00328	0.8
67.01896	1.2
68.99840	0.9
69.29264	7.0
71.01385	7.1
73.02960	2.4
81.03465	1.0
81.07754	0.7
83.01404	2.6
85.02969	2.7
87.00893	3.0
93.03465	1.0
95.01398	2.1
95.05083	0.9
99.00915	0.8
100.02259	0.7
101.02454	3.3
104.05084	1.7
107.01405	1.8
107.98991	0.7
108.02171	6.5
109.02955	10.2
111.00890	3.8
113.02425	1.6
115.00381	4.1
119.05022	4.7
121.02977	2.6
123.00898	12.9
123.04565	4.0
124.01691	7.8
125.02428	1.5
132.04562	8.1
134.03723	0.8
134.06120	3.9
135.04538	1.2
136.01662	1.9
137.02463	0.8
138.03201	1.3
139.00349	1.1
145.02907	0.9
147.04526	11.3
148.03973	1.2
148.05072	1.4
149.02478	0.9
151.00345	3.6
151.04001	2.3
152.07179	10.4
159.04558	1.8
160.05283	0.9
161.02426	2.4
161.04503	1.9
162.03232	3.8
162.06871	1.3
163.00423	1.8
163.04015	17.6
164.04594	0.9
165.01944	1.2
173.02463	3.0
174.03236	3.5
175.02486	6.0
175.04008	2.9
176.03546	1.6
177.01979	1.4
177.05553	7.2
187.04123	1.7
188.04799	7.6
189.05470	2.9
193.05069	2.5
203.03638	0.9
208.06187	1.3
211.82228	0.8
223.02592	0.9
234.93121	0.9
271.06143	2.0
279.37189	0.8
283.06168	2.7
295.06107	1.1
297.07855	1.0
297.12527	1.8
298.08499	16.0
299.08810	1.9
310.08508	2.7
311.10434	0.9
313.07288	4.3
313.10764	51.7
314.11084	5.9
325.10779	3.4
331.17526	1.4
341.11371	7.6
343.08105	7.0
343.11899	16.0
344.12253	2.0
355.08279	2.3
357.09732	1.0
358.10553	7.1
359.10721	1.2
373.12976	60.8
374.13266	8.5
374.17657	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
59.01377	23.3
62.99496	0.5
69.88348	2.3
71.01384	1.7
73.02937	1.0
79.24146	0.5
80.05059	1.7
85.02940	0.8
89.02414	0.6
94.06620	3.3
96.96000	0.8
98.19907	0.6
101.02443	0.9
103.04263	0.7
104.05060	10.0
106.06626	1.2
107.03770	7.0
108.04552	8.7
109.68908	0.6
113.02471	0.8
120.04514	0.8
122.06115	44.7
123.06444	1.4
124.07701	2.2
132.04547	83.3
133.04883	3.9
134.06140	3.1
139.02715	1.7
144.04533	0.9
146.06102	0.7
148.04028	6.5
149.02493	0.7
149.04356	0.5
150.05592	2.1
152.07166	100.0
153.07507	5.3
160.03993	1.3
161.04605	0.8
164.07175	0.5
166.05127	0.5
176.03526	10.4
176.75455	0.5
180.77341	0.5
188.03467	1.4
188.10898	0.5
190.05006	0.9
206.74319	0.5
208.06152	4.3
209.06584	0.6
250.23738	0.6
269.12982	5.4
270.13254	0.9
273.12418	7.6
274.12607	0.6
297.12402	30.6
298.12747	4.0
313.11871	3.1
314.12299	1.1
341.11392	99.7
342.11728	13.3
342.15894	0.6
373.09116	0.7
373.13959	15.6
374.14658	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	373.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16317	0.6
53.50622	0.5
59.01381	100.0
60.01711	0.8
69.42020	4.5
71.01385	13.9
73.02951	14.6
83.01392	2.3
85.02966	2.7
87.00883	0.8
89.02460	5.0
95.01404	1.2
101.02446	11.3
104.05069	1.3
107.03811	0.9
108.04572	1.5
113.02454	6.9
114.03885	0.6
119.03508	1.6
122.06126	5.6
125.02467	0.8
131.03549	1.4
132.04550	11.1
133.04948	0.8
134.03763	0.7
148.03958	0.9
151.04002	0.9
152.07173	11.9
161.04576	2.1
164.07271	1.0
176.03543	0.9
177.05676	0.8
178.02814	0.9
193.05136	0.6
195.91318	0.6
203.10849	1.1
229.14555	0.7
248.09947	0.7
297.12408	3.7
313.11108	0.8
341.11420	13.3
342.11890	1.4
357.14395	1.4
373.13782	1.9
373.18784	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	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.9
61.98846	0.6
62.33783	0.8
67.65741	0.6
69.41656	5.2
71.01381	14.0
71.13359	0.6
72.99314	0.9
73.02947	12.7
75.00874	0.6
76.24353	0.5
78.17582	0.6
79.33385	0.5
83.01370	3.7
85.02968	2.3
86.84715	0.6
87.00877	0.7
89.02444	5.4
95.01372	1.2
101.02438	13.0
104.05084	1.4
107.05133	0.6
108.02167	0.6
108.04577	1.7
113.02448	5.1
119.03522	1.4
122.06123	5.0
124.07668	0.7
125.02448	1.3
131.03491	1.6
132.04555	11.4
135.04543	0.6
147.04482	0.5
151.04120	0.7
152.07155	12.0
152.08264	0.9
161.04617	2.0
164.07120	0.8
166.92076	0.6
171.25681	0.6
176.03596	1.6
179.03596	0.8
192.35823	0.5
203.10815	1.2
273.12671	0.8
279.28653	0.6
297.12457	3.8
313.11447	0.7
331.51251	0.6
341.11401	13.5
342.11871	2.1
357.14658	1.7
373.13577	2.2
373.18826	2.0
374.47183	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.4
59.01378	100.0
60.01708	0.9
67.71116	0.4
71.01384	6.2
73.02953	2.9
83.01402	1.1
85.02945	2.4
89.02473	0.7
95.01429	0.5
99.00911	0.7
101.02441	4.4
109.24992	0.3
111.00896	0.4
113.02454	2.3
115.00365	2.1
115.93555	0.4
145.62622	0.3
150.54402	0.4
161.04501	2.7
175.02519	0.9
208.09032	0.4
210.84967	0.4
267.11526	0.5
294.46625	0.4
313.16592	0.4
331.17630	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	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
51.36443	0.9
59.01381	100.0
60.01704	1.5
71.01393	6.0
73.02957	4.0
78.62823	0.8
83.01415	1.6
85.02963	3.8
87.00892	1.1
97.05861	0.8
98.19858	2.2
101.02435	5.1
113.02438	2.5
161.04558	4.0
190.32478	0.8
212.27705	0.9
229.03168	1.1
267.90759	1.1
310.94379	0.9
331.17670	1.3
373.13068	2.0
398.20139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03450	0.7
58.00602	0.4
59.01378	100.0
60.01714	1.0
63.30630	0.3
67.62275	0.5
70.69192	1.0
71.01382	9.7
73.02941	2.8
83.01398	1.0
85.02946	4.5
89.02438	4.1
95.01382	0.8
99.00903	0.4
101.02450	5.1
113.02452	4.4
119.03497	1.8
125.02485	0.5
129.01996	0.4
143.03484	0.5
153.01028	0.4
161.04549	3.7
169.12370	0.8
222.65260	0.4
331.17563	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	374.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	33.1
61.98836	69.1
69.41193	100.0
84.70261	13.6
89.89265	16.0
98.19978	23.7
150.82616	15.6
199.43411	15.5
374.19943	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	374.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80933	0.4
55.28192	0.4
59.01380	61.0
60.01712	1.1
61.98833	1.3
64.10378	0.3
64.27274	0.4
69.19584	3.4
69.19991	0.9
90.97147	0.8
94.42660	0.4
95.31674	0.4
113.16659	0.4
114.98918	0.5
118.07097	0.4
118.96654	0.5
132.98224	1.6
156.99976	1.1
174.99249	23.9
175.99608	0.6
192.07161	0.5
201.02550	1.1
202.02676	0.8
217.00291	100.0
218.00624	3.1
272.97870	0.4
283.17419	0.4
374.99252	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	2.3
58.71762	1.1
59.01389	9.1
61.98821	1.4
62.51384	1.0
67.73494	0.9
70.83675	1.1
70.84009	2.0
71.01376	4.7
73.02947	1.3
85.02933	1.3
87.00885	5.2
89.02450	1.5
101.02449	3.2
113.02439	1.9
117.03518	1.9
121.02972	3.7
122.03725	2.4
130.60214	0.9
134.50464	1.0
145.02956	4.0
146.03714	1.6
149.02451	38.2
150.03233	49.8
151.03581	3.1
153.05573	4.6
161.02423	3.5
161.04532	3.6
162.03221	5.4
163.03978	1.4
164.04765	19.4
165.05569	100.0
166.05901	6.1
177.05550	2.8
180.04274	3.0
195.06639	24.9
196.06915	2.3
206.55287	1.0
291.92566	1.0
327.10962	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.82977	1.0
61.98823	3.7
62.01489	0.8
69.82939	4.9
71.01372	3.2
85.02946	1.3
89.02446	1.4
96.61222	0.9
101.02461	1.5
103.27030	0.9
107.05012	1.0
117.69906	1.0
120.02155	1.1
121.28424	0.9
123.04455	1.0
129.46732	0.9
138.03235	6.4
150.03246	1.6
153.05576	67.7
154.05933	2.5
161.04486	3.2
165.05501	1.4
375.17059	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.1
61.98819	4.2
71.01379	2.9
71.55915	1.8
89.02449	2.2
89.15685	1.0
93.03507	2.9
95.01415	2.1
95.05045	1.9
101.02441	2.0
113.02454	2.1
121.02975	14.3
122.03759	9.5
123.04487	1.9
140.93503	1.2
142.93748	1.2
146.03716	5.1
147.04468	2.3
148.04408	1.6
149.02448	100.0
150.03236	61.0
151.03531	2.2
161.06155	1.8
164.04797	19.6
165.05569	73.0
166.05864	3.5
179.07112	8.3
180.04256	5.1
188.11600	1.3
195.06627	28.6
195.10294	1.5
196.06964	1.7
255.08980	1.4
268.07455	1.5
280.07309	2.3
283.09708	3.0
312.10022	24.2
313.10510	2.9
327.12384	74.9
328.12680	9.7
341.11777	6.0
358.14145	2.1
375.16553	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40974	1.9
59.01372	6.8
64.04454	1.4
71.01388	3.0
73.02948	1.8
91.58029	1.5
93.03453	4.5
93.36824	1.5
98.19842	3.6
101.02415	2.0
117.03387	1.6
121.02946	5.0
122.03759	13.5
133.02959	2.0
136.01659	2.3
137.02466	2.0
146.03752	8.8
149.02441	29.9
150.03229	84.3
151.03568	6.1
154.68599	1.7
161.06009	2.5
164.04799	8.5
164.07027	1.8
165.05566	100.0
166.05843	4.1
175.97974	1.5
179.07164	11.5
180.04280	5.6
195.06621	44.0
196.07001	1.8
211.39336	1.5
293.66824	1.5
327.12381	13.9
328.12534	2.0
345.09869	2.2
358.14673	2.8
375.10782	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	375.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17829	1.1
56.17884	1.1
59.01392	8.8
61.98816	1.7
71.01385	2.2
71.57096	2.0
73.02962	2.2
73.84592	1.3
89.02451	1.9
93.03465	3.9
101.02450	2.8
109.02940	1.6
113.02489	1.6
119.04992	1.5
121.02923	7.6
121.40713	1.2
122.03747	14.7
123.04510	1.5
125.02525	1.7
125.09743	1.4
130.19810	1.2
133.83458	1.4
135.04588	2.4
136.01654	3.9
146.03723	10.3
147.04564	1.8
149.02435	30.3
150.03235	84.5
151.03653	5.7
161.06052	1.9
163.04131	1.9
164.04822	14.4
164.07159	1.9
165.05577	100.0
166.05907	6.1
179.07141	9.4
180.04353	8.6
181.04959	1.6
195.06625	39.7
195.10187	1.3
196.06990	1.9
263.98468	1.4
268.18008	1.3
295.96356	1.8
312.09982	4.0
315.66470	1.6
327.12366	14.5
345.09763	4.6
358.15179	3.6
375.11005	5.3
375.16071	1.9
376.83441	1.3
380.70526	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	375.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91761	1.0
55.01879	3.0
57.03449	2.4
58.00584	4.8
58.10123	1.1
59.01382	100.0
60.01716	1.8
61.98816	2.1
64.11744	1.0
64.70360	1.1
69.58221	8.1
71.01386	61.5
72.39642	1.3
72.99300	3.9
73.02956	5.6
83.01388	4.1
85.02949	14.5
87.00879	3.7
89.02449	66.4
92.93301	1.0
95.01386	4.1
98.19902	2.2
99.00879	1.4
101.02445	45.6
102.02816	1.7
113.02450	21.0
113.03157	2.0
119.03505	33.5
125.02446	1.7
131.03484	2.7
143.03496	3.5
149.02473	6.4
149.04558	1.8
150.03220	4.3
161.04555	4.6
165.00060	1.5
165.05577	3.0
177.09261	2.2
179.05574	5.1
179.07004	1.5
195.06650	2.1
297.11237	1.4
312.10031	1.8
314.35477	1.1
327.12360	5.5
328.12616	1.1
357.15564	8.6
358.15894	1.3
375.16577	73.3
376.17062	7.9
381.77377	1.1
392.20847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50411	0.6
63.46298	0.7
69.89700	3.2
74.99075	2.7
136.62987	0.6
143.05284	0.8
149.00984	1.5
159.08469	10.1
161.06339	3.1
191.39522	0.6
209.01245	3.5
214.63985	0.6
217.07176	1.4
261.04272	0.8
275.06091	1.4
277.07489	2.1
289.07419	3.2
291.09091	100.0
292.09238	16.9
357.13824	1.7
359.15323	97.8
360.15512	20.5
375.18527	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89195	0.6
60.89977	0.7
65.97078	0.6
70.86813	1.9
74.99089	2.3
76.40492	0.7
76.66187	0.7
112.79388	0.6
143.05363	0.9
159.08485	10.9
161.06386	1.8
173.40715	0.7
209.01291	2.9
217.07253	1.8
275.06146	0.9
277.07504	2.4
289.07562	1.8
291.09103	100.0
292.09219	14.5
357.13892	2.2
359.15338	98.6
360.15521	19.0
375.18369	5.7
376.18433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.1
61.98821	1.8
69.74911	7.2
75.00871	3.5
78.94598	1.1
96.95999	1.4
97.93152	3.1
97.97194	1.2
98.90721	2.1
114.93398	5.0
125.02510	1.3
130.08142	1.0
196.62567	1.4
199.17503	1.0
200.45801	1.2
214.19890	1.3
277.21719	100.0
278.22101	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	375.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82156	0.6
52.67558	0.6
57.59480	0.6
58.00583	2.4
59.01381	47.3
60.01719	1.0
61.98821	1.9
63.68097	0.6
71.01384	25.5
72.01706	0.8
72.99310	2.5
73.02951	0.9
77.53235	0.7
81.26134	0.6
83.01384	1.7
85.02945	6.3
87.00913	1.0
89.02450	21.9
89.03038	1.2
95.01378	2.4
101.02444	15.2
113.02441	10.0
119.03510	7.0
149.02448	2.8
149.11217	0.6
150.03259	1.6
165.05548	2.4
180.46480	0.6
195.12221	1.1
195.13892	10.0
196.14183	0.9
213.14922	3.9
230.22321	1.1
249.46867	0.7
312.10095	1.1
327.12369	1.5
357.19214	0.9
375.20218	100.0
376.20535	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	5.9
59.01379	62.6
61.98825	7.6
69.71921	3.2
70.11125	14.6
121.10215	28.5
163.78748	3.4
171.10266	62.8
207.09892	3.4
231.21121	5.4
275.20145	96.9
276.20471	11.7
278.11282	10.5
293.21210	100.0
294.21634	12.1
297.18152	4.3
315.19440	42.6
316.19852	7.6
321.30087	3.1
340.12354	3.3
359.18311	8.3
375.21426	34.8
376.21170	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01101	5.9
59.01379	62.6
61.98825	7.6
69.71921	3.2
70.11125	14.6
121.10215	28.5
163.78748	3.4
171.10266	62.8
207.09892	3.4
231.21121	5.4
275.20145	96.9
276.20471	11.7
278.11282	10.5
293.21210	100.0
294.21634	12.1
297.18152	4.3
315.19440	42.6
316.19852	7.6
321.30087	3.1
340.12354	3.3
359.18311	8.3
375.21426	34.8
376.21170	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	375.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54115	24.8
52.61855	23.4
59.01380	100.0
61.60824	26.5
71.56084	27.2
90.21957	23.6
96.95956	27.3
111.25010	25.5
132.49208	24.5
293.17783	38.9
305.01117	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	376.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81645	1.9
57.99670	2.0
59.01378	100.0
61.98803	1.9
71.55576	2.0
71.56002	2.3
102.74111	2.1
103.02771	1.7
148.75873	1.7
187.76865	1.9
254.92751	2.1
288.04819	1.8
292.52759	2.2
326.78314	2.0
341.10870	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	377.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12902	3.2
56.94145	3.0
59.01385	44.3
61.98832	43.1
62.63573	3.2
71.01386	30.8
71.55540	3.9
80.40197	2.9
84.16111	2.8
84.40689	2.7
85.02953	6.5
89.02434	13.4
95.01402	2.9
99.71555	3.0
101.02438	10.4
109.02937	2.8
112.39708	3.3
113.02409	8.8
119.03490	7.7
133.02954	23.7
135.04520	10.4
152.21613	2.8
153.01930	12.8
161.01112	5.3
161.02446	100.0
162.02808	8.7
165.05522	5.3
179.03516	16.1
179.05524	5.0
179.07077	4.9
215.09352	3.3
255.02859	5.5
284.03238	3.8
315.07211	6.4
337.29437	3.1
341.08029	27.4
377.08856	19.0
377.14093	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	377.1424
Annotation	Go 6976
Peak:m/z	Relative Intensity
53.63907	0.5
55.99804	0.4
59.01374	1.0
61.98833	7.5
62.42265	0.5
67.32883	0.5
69.95998	2.1
84.93900	0.6
96.96011	1.6
99.92587	86.1
100.92599	5.1
100.93378	2.3
115.91225	0.9
115.92078	42.3
116.92861	100.0
117.92879	6.4
127.92150	0.5
131.91595	0.6
134.88245	0.5
152.99612	0.5
187.81706	0.5
241.21744	3.8
247.88599	0.4
255.90968	0.5
267.93768	0.5
277.21683	2.5
279.22223	0.7
282.05750	0.5
293.17841	1.5
299.05991	1.3
308.07288	1.8
309.07849	0.7
315.14304	0.8
333.15643	1.2
341.10986	1.2
359.13403	1.7
360.13272	0.5
365.14056	0.6
373.11121	3.2
374.11417	0.7
377.14255	46.1
378.14478	9.1
391.12201	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	379.1582
Annotation	DMH-1
Peak:m/z	Relative Intensity
52.12101	0.4
58.32207	0.4
61.98832	2.2
69.23548	4.0
84.93905	0.8
94.00344	0.4
99.92588	76.1
100.92603	5.1
100.93370	3.2
106.66541	0.4
106.75737	0.4
108.64835	0.3
112.85619	0.4
115.91220	0.8
115.92081	35.6
116.92864	100.0
117.03129	0.4
117.92880	5.9
117.93631	0.7
132.92311	0.6
273.12732	0.4
317.15778	0.5
322.08997	0.5
335.16827	1.6
347.26059	1.0
361.14691	0.6
367.15756	0.8
375.12683	1.5
376.12891	0.9
379.15814	54.3
379.28534	11.3
380.15997	10.0
380.28906	1.7
393.13657	3.0
394.13910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78718	0.9
55.01868	2.2
57.03440	1.4
59.01380	95.1
60.01736	1.2
67.87162	0.7
69.03459	7.6
69.71793	3.1
69.72213	1.2
71.01385	15.9
72.06326	0.8
72.99316	0.8
73.02953	6.7
83.01390	4.0
85.02950	8.7
86.00062	0.7
89.02436	2.5
95.01377	2.3
97.02940	1.3
99.00903	4.2
101.02441	15.4
102.63715	0.7
113.02439	6.3
141.01904	0.8
142.99927	0.8
159.02937	0.9
161.04535	5.0
162.57744	0.9
181.68839	0.9
185.00920	2.9
186.12265	0.8
280.13913	0.9
319.17514	5.8
320.17978	0.9
343.12891	1.0
379.19714	100.0
380.19998	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	379.1971
Annotation	JBIR-57
Peak:m/z	Relative Intensity
55.01872	1.8
57.03448	1.9
59.01379	91.2
60.01712	1.6
67.60297	0.5
69.03452	2.5
69.29892	4.7
71.01380	13.0
72.99310	0.9
73.02945	4.4
83.01402	3.6
85.02952	7.2
86.00130	0.7
87.00877	1.2
89.02443	2.2
91.70027	0.5
95.01411	1.3
97.02962	0.9
99.00894	2.7
101.02444	14.0
111.00851	1.1
113.02453	6.0
115.00377	0.8
125.02421	0.6
133.06569	0.9
159.02965	0.8
161.04597	3.4
162.17421	0.6
175.02461	0.9
183.03943	0.6
185.00946	1.0
186.51353	0.5
203.01852	0.6
217.14584	1.1
221.04535	0.8
223.88948	0.6
239.29294	0.6
319.17606	5.0
361.18240	0.8
379.19696	100.0
380.20050	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	379.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
57.03448	5.1
58.00591	3.6
59.01381	100.0
61.56442	0.8
61.98833	3.3
62.34673	0.9
69.55951	5.8
71.01385	67.1
72.01723	1.6
72.99313	4.2
73.02950	14.1
75.00871	1.1
83.01389	6.9
84.37978	0.8
85.02441	1.6
85.02956	24.2
87.00897	5.0
87.04525	11.9
89.02450	41.8
95.01380	5.4
97.02969	1.6
99.00890	6.9
101.02444	46.5
102.02753	0.9
111.00890	1.3
111.08171	5.0
113.02451	30.5
118.31641	0.9
119.03506	14.7
119.05004	1.4
123.08149	3.6
125.02399	1.9
131.03546	4.2
137.09743	6.8
139.07655	1.0
139.21388	0.9
143.03508	4.6
149.04541	1.8
150.03203	1.1
155.10794	1.0
159.02992	4.8
161.02437	2.2
161.04567	27.5
163.11253	3.3
168.92853	1.0
179.04221	1.5
179.05627	8.2
179.07040	1.4
181.12347	10.5
182.12770	1.2
199.09871	1.4
199.13390	8.3
201.45222	0.9
217.05142	0.9
217.14432	5.6
221.06720	5.2
284.36035	0.9
319.13879	7.3
331.08084	1.1
341.10938	2.7
379.09280	1.8
379.15948	10.2
379.20438	24.5
380.16077	1.8
380.20560	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	379.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12140	56.9
71.56355	70.1
95.44563	75.6
97.81107	62.0
101.15407	62.0
104.19116	74.8
104.25241	63.6
105.30891	66.2
111.04505	100.0
130.72121	61.3
285.82141	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2852
Annotation	Persin
Peak:m/z	Relative Intensity
59.01385	1.2
61.98829	3.2
71.56380	1.4
74.36129	1.0
81.20635	0.8
96.96005	1.5
116.92864	1.7
129.83084	0.9
160.86731	0.9
168.57834	0.9
190.14594	0.7
279.23184	1.2
286.30441	0.9
293.08902	0.9
294.08945	2.4
295.08817	10.2
347.25833	8.9
348.26453	1.1
363.15161	14.4
379.28522	100.0
380.28864	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	380.1562
Annotation	cis-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
59.01108	0.9
59.01382	16.2
61.08903	0.6
69.92165	2.7
71.01384	31.5
71.05022	6.6
72.00926	0.7
72.01742	0.8
73.02950	1.2
83.01394	1.3
84.79476	0.6
85.02954	2.7
88.04044	6.0
89.02446	7.8
95.01383	0.8
96.96948	1.6
98.20035	0.9
99.04514	1.4
101.02451	8.0
113.02446	3.9
116.03519	0.9
116.07143	1.2
119.03503	2.5
128.07166	2.0
129.05576	0.7
141.22589	0.6
146.08238	59.1
147.08549	1.8
161.04568	1.1
200.09291	0.9
308.13474	6.3
351.63947	0.6
362.14606	2.5
380.15604	100.0
381.15991	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	381.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77923	0.4
55.01868	0.5
57.14969	0.4
57.95406	0.4
59.01381	29.1
59.11719	0.3
64.74081	0.3
71.01384	14.9
71.55774	0.3
71.56219	0.7
72.99316	1.4
73.02932	1.4
75.00871	0.4
83.01374	0.9
85.02950	1.4
87.00880	27.1
87.83234	0.4
88.01204	0.5
91.05531	1.7
99.00889	0.4
101.02445	1.0
103.22426	0.4
111.00864	0.5
112.98828	1.0
113.02466	1.2
115.00373	48.3
116.00720	1.1
117.03458	0.6
117.07071	1.0
127.00388	0.9
133.06587	1.1
142.99796	0.4
145.02936	1.1
161.06020	1.9
162.06525	0.5
163.04002	2.4
175.02473	100.0
176.02823	3.7
217.03563	0.9
218.02269	0.8
223.06134	2.9
272.86768	0.4
381.08170	0.9
389.38931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42078	1.5
59.01372	11.5
69.46434	1.6
70.01942	1.3
70.13525	1.6
70.55080	1.4
71.01392	13.4
71.10409	2.4
72.99299	2.0
87.00880	29.9
98.73004	1.6
110.20457	1.9
113.02420	1.8
115.00386	52.9
115.41541	1.7
175.02480	100.0
176.02753	4.4
183.90710	1.5
346.20605	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	381.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52468	5.0
54.02848	5.6
57.03102	4.9
57.03419	7.2
59.01379	100.0
61.88007	6.8
61.98829	80.6
64.99352	4.7
68.46149	5.3
69.78777	33.2
71.01382	60.0
72.99276	8.1
73.02942	13.4
75.00864	10.5
76.64168	5.1
83.01377	11.6
85.02950	22.9
87.00871	15.2
89.02436	62.6
93.03445	8.2
95.01382	9.3
97.02913	7.1
98.20530	10.1
101.02435	48.0
111.00816	5.6
113.02478	26.3
115.00402	7.6
119.03499	23.3
131.01656	6.3
134.03781	8.2
135.04449	6.5
143.03545	7.4
147.04472	6.9
151.03926	5.8
158.06084	13.7
161.04530	18.7
165.05499	11.8
175.02493	9.9
179.05569	17.7
202.04997	10.8
219.06543	39.7
219.12299	15.4
223.06190	6.5
261.08939	6.9
321.15683	8.5
345.11804	20.2
381.17896	33.5
382.10950	13.0
401.53882	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	381.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10943	9.6
53.31155	8.4
59.01377	100.0
61.98825	48.9
65.00302	9.7
70.08006	42.3
71.01383	61.6
74.02449	10.4
79.55397	10.5
85.02920	17.7
87.00874	21.6
89.02444	76.1
101.02438	29.1
113.02439	29.0
115.68110	8.7
119.03471	38.8
119.05008	24.1
121.55867	9.3
130.08720	25.6
131.09102	11.0
132.04587	21.9
135.04523	88.9
141.05795	10.0
147.04507	36.9
158.06114	13.7
161.04489	17.0
165.05530	19.2
166.05122	19.1
179.05623	46.3
219.07675	32.4
297.09830	17.6
327.10840	25.8
343.11453	52.5
345.11923	11.8
381.08984	60.7
382.09814	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	381.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49690	1.3
55.69218	1.1
59.01377	9.7
61.44988	1.4
61.98825	11.5
71.01382	7.3
71.81689	1.1
72.00916	2.3
85.02918	3.6
87.00904	1.6
89.02448	4.7
92.05059	2.4
93.03459	3.1
95.01423	1.3
100.04081	1.7
101.02451	3.7
112.04005	1.3
113.02410	2.3
116.05058	3.7
119.03477	2.2
119.04999	2.5
131.03777	2.9
132.04567	7.7
133.02948	2.6
134.03751	5.9
135.04530	12.1
143.06128	1.4
144.04555	7.0
145.04088	1.6
151.04025	1.6
153.05782	1.6
155.06076	1.5
156.06902	5.5
157.07706	6.1
158.04875	2.3
158.06116	4.5
159.05568	1.6
160.04044	9.5
161.04521	1.5
165.05508	1.6
167.06143	10.7
168.55176	1.4
169.07719	4.5
170.06139	2.1
171.09270	9.5
173.07259	9.9
179.05679	1.2
180.06876	2.6
181.07706	54.4
182.06174	2.4
182.08038	3.5
187.08763	1.6
188.05957	2.8
197.07170	6.3
199.08781	31.4
200.09167	1.8
201.06630	3.6
213.06647	1.6
217.09790	3.1
218.05887	2.3
219.06604	25.7
226.05110	3.8
243.07747	24.9
244.08054	3.0
261.08792	100.0
262.09088	9.0
273.08713	1.6
291.09863	1.8
297.09851	2.4
319.13217	1.5
343.11487	6.0
356.84695	1.4
363.11832	2.7
381.08939	2.6
381.13000	15.0
381.17694	2.4
382.13110	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	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20284	1.2
53.07064	1.2
59.01366	1.6
59.96734	1.2
60.97513	1.3
61.98826	8.5
69.43174	3.7
69.43602	5.0
74.99073	29.9
75.96233	3.3
91.02206	43.9
92.02158	1.2
93.00137	14.4
99.61176	1.2
146.96684	1.4
159.08464	100.0
160.08730	5.5
161.06395	10.3
196.87584	1.2
199.75630	1.5
255.86452	1.4
261.33771	1.1
289.32031	1.4
365.11105	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58812	1.2
54.78272	1.4
57.03436	2.4
59.01375	16.6
61.98822	1.8
67.01881	1.8
69.03452	5.4
69.20693	12.0
71.01385	17.1
72.99314	3.2
76.89544	1.4
83.01390	5.1
85.02951	36.0
87.00877	59.0
101.02405	1.6
111.00872	2.4
113.02476	1.8
115.00382	43.0
129.01924	5.6
157.01434	41.6
167.10728	4.8
175.02486	32.8
179.10716	1.6
179.14444	4.4
180.47649	1.6
191.77014	1.3
195.13864	11.2
198.80836	1.3
205.12340	10.2
223.13393	100.0
224.13736	7.1
235.11823	1.4
381.15497	37.8
381.19080	1.4
382.15799	5.3
401.75067	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.3
57.03444	3.4
58.00606	1.7
59.01377	50.0
60.01727	1.0
63.79047	0.6
68.05968	0.6
68.99883	0.7
69.03435	0.9
69.22765	6.2
69.23184	2.1
71.01383	47.2
71.05034	0.9
72.01744	1.4
72.99317	2.7
73.02946	21.9
73.06573	1.0
74.03343	0.7
83.01386	9.5
85.02952	30.8
86.00124	1.8
86.03281	1.6
87.00881	3.7
87.04562	1.1
89.02450	7.4
95.01389	3.6
97.02960	1.2
98.19888	1.2
99.00874	7.6
101.02445	51.6
102.02761	0.8
103.04007	4.4
111.00924	1.1
113.02452	21.6
115.04012	1.1
119.03504	2.9
125.02475	2.0
129.01974	1.6
131.03513	0.7
143.03511	3.4
145.05057	0.9
159.03044	4.6
161.04553	22.5
162.04945	0.9
163.06123	2.3
164.04700	0.7
173.16287	0.8
196.51982	0.7
205.07169	2.0
235.11864	100.0
236.12218	8.0
260.37451	0.7
279.10776	1.1
381.17639	48.7
382.17917	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91721	0.5
55.01874	4.3
55.11343	0.5
57.03453	2.9
58.00603	1.5
59.01379	41.8
59.19172	0.6
61.35901	0.7
66.71160	0.5
68.99789	0.7
70.21038	0.6
71.01382	36.0
71.05029	0.6
72.99307	2.7
73.02946	20.8
75.00875	1.2
83.01385	9.5
85.02950	23.2
86.00113	1.1
86.03298	0.8
87.00877	4.1
87.04494	0.8
89.02441	6.7
95.01376	2.9
96.99320	0.6
97.02965	1.4
99.00883	7.8
101.02444	44.8
102.02800	0.8
103.04010	4.0
109.44670	0.5
111.00902	1.5
113.02451	17.1
119.03497	2.4
125.02419	1.2
127.04008	0.7
129.01945	1.3
131.03445	1.4
134.03708	0.5
143.03476	3.3
143.07152	0.8
159.03021	2.5
161.04544	19.6
163.06087	1.9
175.02524	1.0
193.05078	0.5
205.07202	0.8
209.06638	1.8
219.07796	0.9
223.06007	0.7
229.01357	0.9
235.11859	100.0
236.12199	5.9
250.86424	0.7
279.10922	0.7
381.17642	38.6
382.17834	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	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14214	0.6
61.98822	3.9
70.29449	1.4
70.29820	1.2
78.95905	2.8
110.82069	0.6
111.64836	0.6
137.64421	0.6
146.96577	2.0
149.06010	1.0
151.07663	1.8
152.99561	3.7
153.08897	0.5
163.11249	0.7
169.91107	0.7
170.05859	4.6
183.01242	0.9
192.11571	0.7
199.13350	1.6
233.19051	2.7
235.20534	1.1
251.20216	3.7
252.20293	0.8
277.18082	82.3
278.18375	9.9
279.19632	25.9
280.20026	2.3
295.19128	100.0
296.19452	12.3
297.15311	2.7
363.25375	16.1
364.25867	2.8
381.26508	6.2
404.30377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43390	0.7
58.13529	0.7
58.49368	0.8
59.01374	1.0
61.98830	1.7
71.05022	1.2
74.34293	0.7
80.17808	0.8
100.01693	0.7
104.65835	0.7
111.47843	0.6
121.61442	0.6
151.92484	0.7
152.99529	1.0
153.12837	3.3
163.11255	1.6
165.12862	3.3
170.05818	2.9
179.10771	11.5
180.11151	0.9
181.12340	33.4
182.12653	2.6
192.11635	0.9
195.10292	2.4
197.11839	2.6
199.13393	100.0
200.13750	6.5
215.12971	1.8
223.20573	0.8
243.18408	0.9
267.34897	0.8
302.32343	0.9
363.25314	3.9
364.25952	0.9
381.11432	2.6
381.26492	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	382.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.8
59.01379	16.6
60.01717	1.0
61.98822	3.2
67.20016	0.5
68.99812	1.1
71.01385	14.2
72.01717	1.0
72.99297	2.4
73.02943	3.6
74.03294	0.6
75.00876	18.9
80.45181	0.5
83.01389	2.3
84.01759	0.5
85.02953	6.8
86.03299	0.7
87.00876	17.0
88.04024	1.0
89.02440	7.1
92.84122	0.6
95.01404	1.8
99.00857	1.2
101.02444	10.4
111.00883	1.4
113.02453	5.2
114.02785	1.1
115.05531	7.3
116.05062	3.1
116.05775	0.6
119.03508	2.1
125.02530	0.6
130.06625	7.6
131.06905	0.5
132.04559	26.1
133.04842	0.6
133.06621	1.0
143.03432	0.7
144.04559	2.0
149.02505	0.8
157.05400	0.6
158.06113	100.0
159.03044	0.6
159.04555	0.6
159.06483	7.2
161.04581	2.9
162.04974	0.8
170.16161	0.6
174.05592	3.6
175.02466	1.1
176.07190	0.7
179.05667	0.5
191.03386	0.7
191.05634	0.6
194.05365	0.6
202.05099	41.2
203.05415	2.7
220.06119	7.0
221.06613	0.9
224.06534	0.8
229.50078	0.6
235.11882	6.0
236.12186	7.7
237.06149	7.5
249.06136	10.6
250.06325	0.7
262.07141	1.4
263.10995	0.7
300.15735	1.1
310.06891	0.6
327.68176	0.7
366.16666	0.7
382.11472	52.3
382.17911	6.2
383.11725	5.9
383.18121	1.1
398.49597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.9
61.94818	0.9
61.98832	100.0
71.01377	1.8
71.20711	0.9
73.90676	0.7
81.93714	0.7
89.02460	1.3
98.19901	1.6
101.02427	1.1
113.02389	0.8
123.36384	0.8
129.10326	3.1
138.73668	0.9
147.04495	1.6
153.48322	0.9
164.07127	3.5
170.33386	0.9
171.11380	2.5
223.19160	0.9
233.16507	2.8
319.16611	10.3
383.07541	1.3
403.83737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19209	1.2
56.63212	1.2
59.01380	100.0
70.94415	4.0
71.01381	2.9
86.61859	1.3
89.02443	1.5
92.39866	1.2
101.02429	2.0
104.36465	1.2
113.02482	2.4
113.39394	1.3
161.04559	1.8
302.84000	1.4
325.18457	1.7
341.10635	2.5
367.95563	1.3
383.33914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0771
Annotation	Nidurufin
Peak:m/z	Relative Intensity
59.01385	4.2
67.01911	0.4
69.82362	2.3
71.01379	1.8
73.02953	0.4
73.68629	0.4
83.01376	0.8
83.44587	0.4
86.47986	0.5
87.00889	0.9
89.02450	1.5
93.03448	1.7
95.01410	1.3
101.02444	1.2
101.55995	0.5
113.02457	1.3
117.03457	5.7
119.05019	1.0
131.05045	0.5
133.06532	0.5
135.04520	2.0
149.02477	0.8
150.03181	0.5
159.04504	1.2
161.02420	1.8
162.03078	0.4
163.03966	0.7
175.04012	3.2
177.01907	0.8
177.05612	1.0
179.07150	0.7
189.02000	0.6
189.05603	0.6
191.03503	0.7
203.03537	2.3
217.05113	0.5
221.04521	1.4
223.07666	0.9
224.08414	0.9
225.09184	0.6
245.04646	0.8
251.07115	0.7
253.04893	0.6
267.06653	1.2
268.07431	1.7
279.53198	0.5
281.04471	0.6
282.05371	1.4
283.06131	3.7
295.06140	6.3
296.06842	5.7
297.07660	13.1
298.08084	2.1
307.06104	1.4
309.07581	4.0
310.08115	0.7
311.05597	3.3
322.04678	0.7
323.05688	3.6
324.06256	1.4
325.07144	4.8
328.05927	6.2
329.06064	1.2
335.05643	0.8
336.71039	0.5
337.07181	6.4
338.07385	0.6
341.10898	1.4
353.06534	0.7
355.08163	1.7
356.05435	1.7
365.06622	10.3
366.06961	1.3
381.05933	1.1
383.07703	100.0
384.08029	14.7
385.98209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0774
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01377	9.5
60.06263	0.8
61.23724	0.6
68.99793	1.2
69.78060	0.7
70.67540	1.5
70.67882	1.2
71.01385	5.8
73.02942	1.6
74.37137	0.7
83.01383	2.4
85.02950	2.4
85.32343	0.7
87.00884	1.7
89.02444	5.9
101.02443	4.2
113.01810	0.7
113.02466	4.6
119.03516	1.4
119.05045	1.0
119.57339	0.7
121.02959	100.0
122.03294	4.1
145.02922	0.9
147.04518	2.3
149.02444	1.8
161.04570	2.3
179.05626	0.9
180.05811	0.8
181.06604	4.2
191.03499	7.7
197.02867	0.7
217.04990	0.9
223.07596	0.7
225.05547	7.6
226.05803	0.8
251.07193	3.8
268.75989	0.7
291.19736	0.8
295.06094	11.5
295.09131	1.2
296.06409	1.3
309.20822	1.2
311.09268	14.9
312.09622	1.4
313.07150	17.3
314.07501	1.5
323.09790	2.7
339.08710	15.7
339.12589	1.3
340.09137	2.6
341.11050	3.7
358.66034	0.8
383.07693	23.0
384.08090	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	383.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
70.86373	2.9
71.01390	1.3
73.13486	1.3
77.76658	1.0
85.02949	9.5
87.00867	3.2
93.03471	2.2
96.83954	1.1
101.02464	1.1
113.02465	1.1
119.03599	1.1
127.03979	1.3
129.01961	1.1
177.11763	1.2
191.05606	100.0
192.05974	4.1
205.58330	1.2
206.41135	1.2
243.56807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37507	1.2
55.01873	1.4
59.01380	100.0
63.69357	1.2
71.01376	2.6
73.02953	4.6
75.00876	8.0
76.21026	1.2
83.42814	1.2
84.74591	1.4
87.00877	15.8
89.02444	4.0
91.05527	12.8
92.48972	1.2
107.77713	1.2
113.02396	1.6
117.01941	28.1
117.07101	4.5
133.06619	7.7
133.67349	1.4
135.02995	45.6
136.03288	1.6
145.02919	2.9
149.93628	1.3
154.39792	1.5
161.06084	10.9
163.04019	16.0
177.04047	70.7
178.04405	2.8
179.07127	1.6
223.06114	28.6
224.06479	2.3
264.86548	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	383.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	55.5
61.98853	5.8
69.36269	4.8
69.83193	24.2
71.01391	22.2
85.02969	9.7
89.02440	24.7
95.01421	4.5
98.19965	6.1
99.04496	10.8
101.02454	9.1
101.06104	7.9
102.51382	5.3
113.02441	10.5
115.04025	9.6
117.05574	5.9
119.03508	7.8
125.90921	5.0
143.03488	5.3
161.04527	7.8
161.08197	100.0
162.08577	5.1
165.05533	5.1
179.05647	11.4
235.45297	5.9
247.07350	4.7
275.47504	4.6
341.10764	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	383.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33639	4.7
51.70925	4.4
54.58460	4.6
59.01381	86.8
61.98820	8.2
70.93252	10.2
71.01390	47.2
71.05004	4.5
72.99268	7.6
73.02948	11.0
78.43121	4.4
80.89423	4.7
83.01385	5.8
85.02958	13.4
87.00860	9.5
89.02448	42.9
99.00912	4.6
99.04502	10.9
101.02447	19.3
101.06068	7.8
104.49187	4.2
108.02207	8.7
112.11896	4.8
113.02454	23.9
115.04030	10.5
117.05588	10.2
119.03468	12.1
156.07816	4.1
161.04552	13.8
161.08197	100.0
165.05537	15.2
176.89035	4.4
179.05563	13.9
191.05656	8.5
195.69469	4.5
221.08141	10.7
224.66969	4.6
265.85855	4.4
323.10080	7.0
323.17056	19.2
341.10913	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	384.2755
Annotation	Mycestericin D
Peak:m/z	Relative Intensity
59.01374	4.3
70.46591	1.0
73.87362	1.0
74.02464	2.5
82.02987	1.9
84.04555	5.3
89.02441	1.6
95.09861	1.0
97.17453	1.2
98.19862	2.6
100.04057	2.1
102.05614	89.0
103.05930	2.2
112.07687	1.1
128.03545	100.0
129.03874	2.9
137.10062	1.2
146.04607	12.2
219.25995	1.0
237.22263	1.2
254.24896	4.1
255.23285	67.2
256.23651	5.8
294.28098	2.5
296.29630	16.0
297.29929	1.6
320.92462	1.1
322.27579	2.1
325.18289	1.2
340.28592	14.3
341.28540	2.4
347.27844	1.1
349.91885	1.0
366.26501	13.9
367.26825	1.9
384.27554	97.4
385.27979	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	385.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60266	0.5
55.01883	2.9
57.03452	13.7
59.01380	7.3
66.44492	0.6
68.99806	0.9
70.47934	1.9
70.76775	0.5
71.01389	4.4
72.99295	1.6
75.00871	1.4
81.59476	0.6
83.01386	2.4
84.02177	2.5
85.02954	100.0
86.03288	2.9
87.00879	1.8
87.88895	0.6
89.02460	1.5
96.96003	6.1
100.47404	0.6
101.02449	1.1
103.00369	1.5
108.99537	0.6
111.00885	2.2
129.01953	7.0
133.01424	1.1
134.03743	4.5
147.03003	7.9
149.06093	0.8
173.00946	0.6
174.01753	0.6
191.01985	24.0
192.02289	1.1
193.05083	3.1
205.03523	1.5
209.03027	12.7
209.04913	1.1
223.04588	4.7
385.11694	1.4
386.05722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.0
57.03452	15.2
59.01382	9.1
61.98810	2.1
66.88871	0.7
67.04937	0.6
69.73994	2.9
71.01388	4.1
72.99319	1.2
75.00897	1.3
77.59405	0.6
83.01372	2.5
84.02161	2.2
85.02950	100.0
86.03291	2.5
87.00883	1.9
89.02444	1.4
97.83971	0.6
101.02469	1.4
103.00371	1.9
108.69907	0.7
111.00904	1.3
115.00359	1.6
125.89986	0.6
129.01942	6.2
134.03738	4.6
147.02994	9.5
174.01735	6.6
175.02505	0.7
184.39633	0.8
191.01982	23.8
192.02324	0.9
193.05008	3.6
209.03027	10.8
223.04546	1.4
277.09140	0.7
300.62024	0.8
300.85321	0.7
325.09286	1.3
352.01007	0.7
385.11523	9.1
386.11533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01385	8.0
70.68983	2.7
71.01374	4.2
75.92612	0.9
85.02943	1.3
87.18671	1.0
87.68806	0.9
89.02456	5.5
91.05536	9.1
101.02448	2.5
103.76399	0.9
113.02481	1.2
113.49295	1.0
117.07107	47.3
118.07431	3.4
119.03529	1.7
133.06586	2.1
140.24818	1.1
161.06073	100.0
162.06439	9.3
179.07066	0.9
187.03999	2.0
190.02631	1.3
205.05048	78.4
206.05338	5.6
341.12302	2.2
385.06412	2.0
385.11377	35.4
386.11658	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	385.114
Annotation	Axitinib
Peak:m/z	Relative Intensity
50.15416	1.3
56.89095	1.4
59.01367	2.6
69.51009	8.6
71.01373	1.9
72.99300	1.7
73.02957	1.4
75.00880	1.4
83.01373	1.7
85.02943	3.2
87.00874	3.4
98.19950	3.1
101.02435	2.3
113.99546	1.7
115.00369	9.6
169.56107	1.3
174.01683	65.7
175.02480	6.6
209.08189	4.1
239.09175	1.4
251.09320	1.5
267.08743	3.1
295.08255	10.4
325.09344	13.1
385.11401	100.0
386.11768	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95895	0.8
57.14146	0.7
59.01381	15.0
63.85673	0.8
69.28185	8.6
69.28518	1.2
71.01376	8.8
76.64677	0.8
89.02439	7.7
91.05528	12.9
100.43096	0.8
101.02422	3.4
112.86672	0.8
113.02449	2.4
115.05564	1.6
117.07105	50.0
118.07413	3.7
119.03504	3.2
133.06567	2.6
161.06076	100.0
162.06404	5.3
163.03946	1.0
175.00470	1.2
179.05637	2.1
187.03996	2.9
190.02727	1.9
191.67969	0.8
205.05052	72.9
206.05421	5.7
223.06163	1.0
341.12439	3.0
385.11392	32.5
386.11789	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65906	1.9
57.74552	1.8
58.00589	3.6
59.01381	97.9
65.18320	1.7
67.83487	2.1
70.56812	5.3
71.01383	73.2
72.99290	6.2
73.02934	2.7
83.01395	1.7
85.02970	12.0
85.38247	1.7
87.00862	5.2
89.02442	100.0
91.05555	9.6
95.01381	5.0
101.02438	33.3
113.02448	30.4
115.05540	9.1
117.07079	11.2
119.03506	35.5
123.71786	2.0
131.03482	3.4
133.06573	7.9
136.07652	5.3
143.03464	5.0
149.04637	3.8
153.09207	3.1
161.04555	7.1
161.06082	26.8
162.06451	1.9
163.04022	11.1
179.05594	27.7
187.03989	32.3
188.04411	3.6
205.05006	5.4
218.84570	1.9
221.13942	2.1
223.06079	3.9
227.72777	1.8
230.28062	2.3
292.55090	1.8
323.10422	3.5
360.88385	1.9
385.21994	2.3
385.43085	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	385.1142
Annotation	1-O-Sinapoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01379	19.9
61.98825	0.8
71.01380	6.7
71.29289	0.5
72.99311	0.6
75.00832	0.6
76.13844	0.8
85.02959	2.0
87.00900	0.7
89.02446	5.9
91.05531	11.1
101.02431	2.5
105.88942	0.6
113.02459	2.1
115.05534	1.0
117.07106	56.1
117.13060	0.5
118.07436	3.6
119.03499	2.2
122.00153	0.6
123.00917	3.3
125.92404	0.6
133.06572	1.4
135.04492	1.2
138.03214	1.7
139.04024	0.7
145.59480	0.5
152.08508	0.8
153.09227	1.3
161.06076	100.0
162.06403	6.7
186.43375	0.6
187.03992	1.1
194.37529	0.7
202.62885	0.5
205.05049	73.4
206.05344	4.2
223.13394	4.8
267.12100	1.0
278.25040	0.7
318.47949	0.6
341.12387	2.1
385.11359	35.3
386.11707	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84584	1.0
51.60653	0.9
57.03440	2.8
59.01378	16.3
65.05409	1.0
67.01861	1.2
71.01383	16.0
72.99305	4.1
73.02939	2.1
82.28355	1.0
83.01382	7.3
85.02596	0.8
85.02963	9.2
87.00878	35.6
89.02435	6.2
95.01398	1.2
98.20684	1.4
101.02457	3.0
111.00867	6.3
111.08179	1.5
112.98779	1.1
113.02448	12.4
115.00377	53.9
116.00723	1.7
119.03525	2.7
123.21841	0.9
129.01935	1.6
139.00377	18.8
139.07686	1.1
153.09221	2.8
157.01419	36.8
158.61627	1.1
161.06085	2.0
165.12831	31.5
166.13185	2.1
175.02496	22.4
179.05670	1.9
180.04189	1.5
181.05054	3.6
183.13896	100.0
184.14192	8.6
187.04008	1.2
197.15474	1.6
205.05171	1.5
207.13837	1.3
209.11839	2.9
227.12875	63.3
228.13263	5.0
278.84006	1.1
310.06961	1.0
367.14035	6.0
385.10144	2.8
385.15063	55.6
386.15442	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01714	1.6
60.37054	0.6
68.01495	0.6
69.24689	2.8
69.25123	2.7
70.95998	0.6
71.01385	2.9
72.24928	0.5
73.02965	1.6
75.00855	0.8
85.02976	0.7
89.02432	2.9
101.02427	1.5
103.37930	0.6
113.02486	0.9
117.07166	0.9
119.03513	0.6
139.90202	0.6
153.09210	0.8
161.04721	0.6
161.06122	0.9
205.05042	0.7
205.12439	0.6
223.13429	1.1
229.83064	0.5
385.18777	0.8
396.21155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87701	1.0
56.52221	1.1
59.01371	2.9
61.98833	100.0
71.01389	2.2
71.55399	1.4
89.02459	2.9
101.02425	1.3
115.27499	0.9
130.08710	4.4
200.85271	1.0
226.53400	1.2
283.00742	1.6
322.20227	1.7
327.00653	1.2
370.02036	1.6
385.04678	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2232
Annotation	Oleandolide
Peak:m/z	Relative Intensity
51.22175	0.5
51.65253	0.4
53.26104	0.4
59.01149	0.4
59.01382	5.5
66.94487	0.4
69.48008	3.4
71.01382	2.7
85.02958	0.5
89.02448	4.6
91.04018	3.2
91.05521	0.5
97.06608	0.5
98.20604	1.0
101.02438	1.8
109.07723	0.4
113.02454	1.0
119.03503	0.8
121.02939	0.9
122.03735	1.7
126.03214	0.7
132.27789	0.5
134.72041	0.5
136.05280	1.0
161.06056	0.7
167.14398	2.4
187.03979	0.6
193.15919	1.3
207.17508	1.6
223.20683	1.8
231.17606	0.8
233.15483	0.7
247.17159	0.6
249.18575	7.3
250.19008	0.8
267.19650	100.0
268.19958	10.7
275.16525	13.1
276.16794	1.7
293.17593	65.7
294.17923	7.2
311.18649	11.5
312.19073	1.4
367.21161	7.9
368.21561	1.2
385.22321	52.8
386.22617	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	386.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
61.67601	0.8
61.98833	100.0
69.76233	3.6
71.01408	0.9
71.05053	0.8
85.02971	1.9
86.03314	0.9
96.96028	3.2
102.53371	0.7
121.50766	0.9
161.08215	4.9
174.01714	1.2
240.23878	0.7
279.89890	0.7
386.05731	0.8
386.11737	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	387.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03448	1.1
58.00588	0.7
59.01381	24.0
69.03428	0.5
69.56659	4.1
71.01381	21.2
71.49750	0.5
72.99311	1.2
73.02944	6.3
83.01389	1.4
84.18129	0.6
85.02964	4.4
87.00851	0.6
89.02445	22.1
90.02808	0.7
91.04008	0.6
91.05526	4.9
97.02956	1.4
99.00871	0.9
101.02448	18.1
113.02451	4.1
115.04060	0.7
115.05540	3.1
116.07175	2.0
117.07116	5.0
119.03499	5.0
133.06583	2.8
149.04475	1.1
161.04559	1.8
161.06081	9.9
163.03987	2.0
163.06108	2.6
175.00378	0.7
179.05614	1.1
181.07173	100.0
182.07487	4.6
187.04002	11.8
188.04416	1.0
205.05063	1.8
207.13992	0.7
223.06158	0.8
225.15001	0.9
231.42168	0.6
278.70358	0.5
301.03040	0.5
307.88507	0.5
308.41101	0.6
328.64651	0.6
387.12869	2.4
387.20322	2.3
397.21133	0.6
406.94788	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04628	0.6
55.01875	1.1
57.03451	1.4
58.00600	1.0
59.01379	33.2
59.35769	0.7
69.29357	2.7
69.29790	2.8
71.01382	29.5
72.99327	1.3
73.02951	6.9
83.01385	2.1
85.02959	6.7
87.00888	1.6
89.02446	27.3
91.04026	0.8
91.05537	5.1
95.01379	1.8
97.02952	1.1
99.00908	1.3
101.02451	21.4
113.02438	8.4
115.04047	0.6
115.05529	2.7
116.07171	0.7
117.07143	4.4
119.03503	10.1
131.03500	1.3
133.06595	2.4
143.03502	1.5
149.04532	1.3
152.08427	0.6
161.04565	2.7
161.06082	8.8
163.04019	2.5
163.06114	2.1
179.05589	1.7
181.07182	100.0
182.07428	3.3
187.03998	12.8
188.04306	0.7
205.05064	2.0
211.42346	0.6
225.14957	1.5
387.12897	1.9
387.20358	7.0
388.08878	0.6
388.20761	0.9
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	Unknow
Peak:m/z	Relative Intensity
59.01375	21.0
69.19041	7.2
69.19466	4.3
71.01378	15.5
72.99301	2.7
81.03450	1.2
83.01370	4.0
83.50438	1.0
84.02192	1.2
85.02939	2.9
87.00874	25.8
87.23539	1.1
99.00895	2.5
101.03574	1.0
105.64799	1.0
111.00893	3.0
112.98832	1.2
113.02452	2.2
115.00370	70.5
116.00723	1.5
123.04536	1.7
139.00388	7.1
141.98445	1.3
147.83823	1.0
157.01401	10.2
167.03488	2.0
175.02472	100.0
176.02795	4.0
185.11812	1.5
189.05565	1.3
195.13867	1.5
203.02353	1.1
207.13881	1.2
211.13367	9.1
225.14865	3.0
225.66637	1.2
232.98595	1.4
237.14903	1.8
241.14481	7.3
247.13379	2.2
251.12988	1.1
253.14360	2.7
255.15942	1.7
261.14841	6.1
265.14569	1.3
269.13943	8.6
280.79745	1.1
283.15399	1.3
287.14990	7.3
289.14587	1.9
307.15472	8.9
308.15707	1.7
325.16888	1.1
327.14450	7.0
328.14609	1.5
336.30161	1.1
351.14417	1.3
369.15671	1.3
387.10855	4.4
387.16504	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	387.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55891	0.9
59.01377	9.4
61.65474	0.8
71.01383	13.2
72.99297	2.2
73.02916	1.2
83.01391	2.9
84.02180	1.9
85.02953	1.3
87.00879	21.5
91.07849	0.8
98.20734	2.0
99.00891	2.4
104.96852	0.8
111.00872	4.5
113.02448	1.1
115.00372	63.6
116.00666	0.9
139.00371	5.5
157.01419	9.3
165.05540	2.8
175.02473	100.0
176.02782	3.9
183.13696	1.2
211.13359	4.0
223.13448	1.6
225.14978	4.0
235.13426	1.3
235.17122	1.4
237.14848	1.6
241.14461	7.2
247.13391	1.5
251.12761	1.1
253.14378	1.8
253.18167	1.9
255.15862	1.0
261.14963	4.6
262.15286	1.5
265.14417	1.0
269.13901	8.4
270.14383	0.9
279.81921	0.9
287.14960	7.6
307.15573	5.2
327.14499	7.1
328.14609	1.2
387.16443	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98815	27.7
62.77434	8.2
70.19801	19.1
70.20201	22.2
71.01372	13.4
92.93811	8.2
112.48432	8.9
123.04528	20.5
157.12320	10.9
340.52200	9.8
385.33307	12.8
387.34958	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	387.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98824	27.0
80.29926	11.3
98.19827	26.5
99.52859	10.9
102.24698	11.2
109.03363	11.2
115.31055	10.8
123.04507	21.7
134.51192	12.6
153.04288	14.4
202.68286	12.3
235.18222	11.6
259.18643	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	387.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	6.9
59.01383	100.0
61.98831	16.6
70.56355	7.4
71.01389	7.1
71.56169	9.6
76.42919	7.3
116.95436	6.2
122.88696	5.9
142.48866	7.3
196.09085	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50633	0.6
59.01374	2.0
61.98832	100.0
69.65224	3.5
71.01398	1.3
89.02473	1.4
98.20634	0.8
129.10294	0.8
132.00070	0.7
178.02248	0.8
193.04732	1.2
207.06602	1.7
208.07014	2.7
388.23038	1.0
405.84439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70578	0.5
61.98830	100.0
69.58356	3.6
69.58671	0.6
73.58617	0.5
91.42861	0.5
129.36156	0.6
161.33083	0.5
187.69066	0.6
208.17465	0.6
218.04782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.0
59.21878	0.4
71.01382	16.6
71.54362	0.7
72.99304	1.4
73.02947	1.8
73.98034	0.5
85.02957	1.6
87.00874	33.9
88.01215	1.0
101.02424	0.8
111.00871	0.7
112.98819	1.4
113.02441	1.3
115.00372	53.3
116.00706	1.3
127.00357	0.6
157.29070	0.4
175.02473	100.0
176.02824	3.4
206.72659	0.5
273.07123	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.109
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36296	1.6
59.01381	100.0
61.98833	4.2
69.61788	3.8
69.62201	7.8
70.48965	1.5
71.01375	8.4
72.45869	1.7
84.46541	1.6
85.02971	2.6
86.31224	1.7
89.02451	6.9
97.02948	2.8
97.81195	1.4
101.02454	5.7
108.05597	1.5
108.52496	1.6
113.02502	2.1
119.03532	2.3
125.02456	22.1
137.02432	3.1
163.52017	1.7
196.17795	1.9
209.08192	2.8
212.06819	2.4
227.09082	4.0
389.14474	3.3
405.07401	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	389.1244
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
52.83186	0.3
59.01371	0.3
66.16628	0.3
69.30040	2.4
71.01363	0.3
100.59261	0.3
107.73386	0.2
112.76918	0.3
153.46205	0.3
157.06647	0.5
159.08138	1.5
164.84418	0.3
168.05769	0.7
169.06595	1.6
170.06914	0.3
181.06596	3.3
182.07382	4.1
183.08144	25.8
184.08505	2.5
185.06061	4.8
186.06485	0.3
197.06108	2.9
198.06862	10.9
199.07248	1.0
209.06102	0.7
223.07654	0.5
225.05589	5.4
226.06352	49.5
227.07121	100.0
228.07480	8.3
239.07085	0.5
241.08641	0.5
251.07013	2.2
269.08154	3.9
270.08636	0.4
314.44772	0.3
334.03308	0.3
389.12424	71.9
390.07803	0.6
390.12796	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	389.1454
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01887	1.8
57.03449	1.3
58.00571	4.1
59.01379	100.0
61.98833	18.3
69.35186	7.1
69.35608	3.9
71.01384	61.4
72.99303	6.9
73.02937	4.3
75.70736	1.2
76.00311	1.3
79.95746	1.8
82.20309	1.1
83.01392	4.0
85.02954	17.7
87.00861	4.8
89.02444	65.0
95.01392	5.5
97.02947	1.6
99.00871	2.4
101.02446	40.7
107.91975	1.1
109.02965	1.9
113.02449	20.5
116.07191	3.5
119.03504	25.6
123.04568	1.9
125.02442	3.6
131.03493	2.5
137.02446	15.3
138.03220	1.5
143.03505	2.5
149.04524	1.9
151.03963	3.6
152.04817	6.3
153.05544	1.3
161.02444	11.9
161.04520	3.6
167.07095	2.3
170.02238	1.6
176.04808	8.7
179.03465	21.9
179.05568	3.9
184.03810	1.7
185.04482	2.7
191.07050	2.5
194.05844	19.6
195.06197	2.8
201.60696	1.2
209.08170	60.0
210.08525	3.0
212.06866	11.2
227.09247	28.7
228.09502	1.7
242.95952	1.3
272.10373	1.2
277.12103	1.4
389.14554	14.4
389.18692	2.7
390.14584	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1456
Annotation	Reptoside
Peak:m/z	Relative Intensity
55.01879	2.9
57.03444	2.5
58.00568	2.3
58.25022	1.1
59.01379	47.8
60.06432	1.1
61.78098	1.3
61.98832	6.9
69.03421	1.4
70.79763	1.0
71.01382	48.1
71.56094	1.7
72.99307	3.2
73.02947	12.5
83.01382	7.8
85.02946	21.6
86.00136	1.6
87.00866	5.3
89.01920	1.7
89.02441	18.9
90.02802	1.1
90.79495	1.0
95.01390	4.5
99.00870	5.6
101.02438	40.0
105.45204	1.3
109.02947	3.8
113.01716	1.5
113.02445	19.4
116.07183	4.2
119.03506	8.7
124.28899	1.2
125.02380	1.4
129.01910	2.3
131.03525	3.2
137.02443	57.4
137.03508	3.0
138.03175	3.9
152.04796	23.3
153.05518	2.3
159.02988	3.1
161.04556	7.0
165.05515	1.4
166.02727	1.3
167.07124	3.9
169.62994	1.2
176.51138	1.4
179.03380	6.0
179.05658	1.4
183.75299	1.2
184.03709	4.9
193.05040	2.6
193.95975	1.2
194.05780	3.7
197.04581	4.4
209.08119	10.0
212.06905	32.4
213.07208	2.7
221.06624	2.5
222.30081	1.4
227.09242	100.0
228.09535	8.2
242.95950	1.9
255.62720	1.2
272.10861	1.4
389.14465	64.9
389.18512	3.8
390.14850	9.3
399.34805	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01425	0.5
55.01893	1.1
57.03445	0.5
58.00597	1.2
58.62635	0.4
59.01381	100.0
60.01716	0.9
61.98823	0.5
69.03471	0.6
71.01385	15.4
71.56963	0.7
72.99329	0.8
73.02953	7.6
75.00883	1.0
80.21281	0.4
83.01387	4.2
85.02953	7.3
86.03296	0.4
87.00886	0.7
89.02446	7.7
95.01407	1.7
97.02983	0.7
99.00891	2.2
101.02448	16.5
102.02793	0.7
111.00925	1.8
113.02465	6.0
113.06096	0.9
115.03918	0.4
115.10633	0.4
118.05837	0.4
119.03494	2.3
125.02467	1.7
143.03537	1.6
145.27391	0.5
161.04561	5.7
169.08765	0.6
179.05646	1.2
185.11848	3.3
227.07178	0.8
227.12997	1.8
229.10980	0.7
245.13943	0.7
280.08713	0.6
295.10898	1.3
313.12192	0.6
327.13522	0.6
329.16037	6.0
330.16324	0.9
341.10333	0.6
347.17099	17.7
348.17389	2.5
357.11075	0.5
373.75171	0.5
386.38614	0.5
389.08557	0.5
389.13480	1.5
389.18018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2178
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
55.01876	3.5
57.03451	2.8
57.99089	0.4
58.00590	4.6
59.01379	100.0
60.01705	1.7
61.98826	1.1
71.01379	74.0
72.01714	1.4
72.99306	4.6
73.02943	10.7
75.00867	0.6
81.03419	0.5
83.01386	5.9
83.05032	0.4
84.04031	0.4
85.02952	20.8
87.00380	0.6
87.00878	4.0
89.02444	69.5
90.02759	1.0
93.03432	0.5
95.01393	5.2
97.02962	0.9
99.00893	3.6
101.02441	52.5
102.02785	1.3
105.43508	0.4
113.02449	31.9
114.02780	1.1
117.01952	0.5
119.03499	34.4
120.03838	0.8
125.02412	0.7
129.01880	0.4
131.03476	3.5
139.00345	0.4
143.03523	6.3
147.11836	0.8
149.04520	2.4
159.02963	2.1
161.04539	17.5
162.04924	0.8
162.06351	0.5
175.02348	0.5
179.05591	11.0
181.07231	0.5
227.16551	1.0
389.21780	21.4
390.22256	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98832	54.9
67.29896	59.0
71.13168	99.7
88.66644	58.8
98.34885	48.5
153.57661	43.4
199.07346	51.1
214.14749	51.9
228.15771	52.0
236.67511	47.1
255.47237	45.3
277.21375	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	28.3
61.98825	49.2
70.31130	100.0
119.04971	26.9
145.02975	24.3
181.28197	27.3
317.14664	28.4
389.26880	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30405	5.6
59.01381	100.0
70.87245	10.3
70.87578	12.2
79.51905	7.4
96.43769	6.5
204.55994	6.5
210.46631	8.2
239.49419	7.6
334.96716	6.7
367.88858	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95971	10.2
53.02772	11.3
58.16056	9.4
59.01383	100.0
70.87364	28.9
72.99989	9.1
117.91584	9.7
149.73055	10.7
150.54738	9.8
199.04453	10.0
235.79800	13.1
254.78883	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	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01153	4.4
59.01381	51.1
61.98831	100.0
66.27317	4.3
66.79234	4.3
71.01345	6.3
75.66585	6.7
86.57993	4.7
88.73370	5.1
89.02435	6.5
98.19878	13.7
106.22636	5.2
109.02928	5.6
165.79210	5.2
226.17712	6.1
302.04129	5.6
302.94089	5.7
333.30414	5.2
391.17682	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	391.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74622	2.7
59.01379	82.3
61.98819	4.9
69.27624	21.5
69.28035	4.4
71.01381	23.2
72.99305	3.4
73.02953	5.7
75.00874	3.3
77.33939	2.6
83.01405	2.8
85.02931	3.5
89.02428	12.9
98.05440	2.7
98.20599	4.8
101.02457	14.2
113.02459	9.1
115.00377	3.5
119.03458	4.8
129.10323	8.2
129.29169	2.5
132.02151	6.7
134.03722	9.6
146.06070	4.2
147.24075	3.1
160.01669	63.9
161.02061	3.3
175.04010	100.0
176.04330	7.2
190.59952	2.7
193.05049	23.9
195.43500	2.8
201.88419	2.5
217.04988	7.2
276.16962	2.9
331.17673	4.5
355.10394	41.3
356.10504	6.6
387.12790	3.4
392.18353	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	391.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72747	1.1
59.01381	55.9
61.98829	13.5
71.01373	8.2
71.55859	1.7
71.91306	1.3
72.99318	1.3
73.02967	2.2
75.00878	1.5
78.95921	1.4
83.01403	1.8
85.02961	4.3
89.02449	3.6
91.01888	2.3
93.03463	3.3
95.01387	1.8
96.96949	1.6
100.07661	1.5
101.02438	6.1
102.82466	1.0
108.02173	37.3
109.03004	1.9
111.00917	1.1
113.02458	3.8
116.07187	1.7
121.02976	6.1
122.03739	14.2
122.04543	1.9
123.04528	86.4
124.04849	2.1
125.02454	2.5
131.68588	1.2
133.03030	1.7
136.01654	5.7
137.02432	2.4
141.47450	1.1
144.10329	1.8
149.02449	45.1
150.03233	100.0
151.03729	6.1
151.90915	1.1
152.01143	4.6
154.02715	2.6
161.04543	4.4
164.04776	8.0
165.05571	94.2
166.05893	5.1
167.03528	5.9
179.22737	1.1
180.04327	7.0
181.05025	1.8
188.09294	27.1
189.09563	1.9
195.02997	32.3
195.06613	39.5
196.06871	2.8
209.04510	2.6
212.41948	1.3
214.04840	2.4
217.00235	1.1
229.07222	1.5
231.08961	1.4
256.07495	6.9
271.09787	8.9
331.13956	4.7
391.10251	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	391.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68848	1.2
53.05079	1.0
56.64002	1.1
59.01377	24.9
61.98832	9.7
70.72016	2.3
70.72388	1.1
71.01371	3.9
72.99287	1.7
78.95895	1.2
85.02956	5.2
87.00830	1.2
89.02428	1.4
91.01880	1.4
93.03445	4.0
96.96961	2.3
101.02428	2.5
108.02179	28.2
109.02925	3.4
113.02420	2.3
121.02956	9.7
122.03750	8.4
123.04530	59.2
124.04810	1.7
134.03700	1.4
136.01654	5.3
137.02412	2.4
139.00333	1.4
143.03479	1.1
149.02446	100.0
150.03239	57.6
151.04019	6.5
152.01143	3.3
153.05620	1.5
154.02765	1.8
161.04549	2.0
164.04813	18.6
165.05576	61.6
166.05920	4.1
167.03494	8.2
180.04257	4.6
181.05035	2.5
188.09273	12.1
194.02275	1.2
195.02983	24.4
195.06621	25.5
196.07024	1.3
209.04491	3.2
235.44273	1.1
256.07401	34.6
257.07806	2.3
271.09747	51.6
272.10126	5.5
315.08752	3.1
343.08243	1.7
391.10449	14.8
391.15527	1.7
392.10486	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	391.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	48.7
59.12087	2.3
61.98846	11.9
63.99242	2.7
69.57755	9.7
69.58162	3.8
70.96857	2.1
71.01373	9.4
73.02945	2.5
80.80597	2.1
87.00869	2.5
89.02437	5.1
90.78404	2.4
92.05100	3.6
94.06627	3.0
99.02395	2.0
101.02454	6.2
113.02448	3.3
118.06625	5.5
122.06135	17.8
124.03997	2.5
124.07688	3.3
134.06119	7.5
136.07649	6.1
138.05603	5.2
146.06096	8.2
148.04053	12.1
150.05624	14.6
152.07137	5.2
160.01671	6.2
160.04057	26.6
161.04712	9.0
161.07170	3.4
162.05603	11.7
165.05608	2.9
166.08636	2.7
173.04797	2.4
175.03944	13.5
178.05084	15.7
191.03485	4.9
191.05890	4.6
193.05157	5.1
195.06783	4.2
203.03465	11.1
208.07466	5.2
209.08397	2.4
218.05905	3.9
224.10794	20.9
225.10283	3.3
227.08029	4.5
228.08907	3.5
230.08313	2.8
237.06514	5.3
241.13422	6.6
242.11873	16.9
243.11337	19.8
251.09354	19.4
252.09033	34.3
253.09410	3.3
255.07816	5.6
255.11343	4.9
260.12796	4.3
261.12332	6.3
267.11383	100.0
268.11734	9.5
269.09442	4.0
270.10031	8.5
284.08002	10.3
285.12442	95.8
286.12790	9.1
287.85336	2.3
293.09320	9.0
295.08237	10.0
303.13513	9.9
311.10364	25.3
312.10645	3.2
321.02136	2.5
329.11423	71.1
330.11911	10.7
347.12421	12.3
355.10077	3.6
362.79684	2.6
373.10419	27.9
374.10663	3.0
391.11432	28.4
391.15860	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	391.14
Annotation	5,4'-Dihydroxybibenzyl 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.72900	0.3
57.03443	0.4
58.72320	0.4
59.01378	14.1
61.17415	0.3
61.98829	0.5
62.37014	0.3
65.03970	0.4
67.01892	0.5
69.28145	1.9
69.28584	1.3
71.01382	6.8
73.02956	1.9
74.82637	0.3
81.03457	17.6
82.03794	0.7
83.01375	0.8
85.02938	2.6
87.00901	0.6
89.02434	1.8
93.03464	3.3
95.01387	1.2
96.00963	0.4
98.20616	0.6
99.00880	0.7
101.02433	4.0
106.04237	2.6
108.02167	1.2
109.02932	1.9
113.02471	2.0
119.03495	0.4
122.03751	0.9
123.04525	51.5
124.04844	2.8
125.02444	0.7
127.82908	0.3
130.08759	0.5
137.02469	1.0
138.03250	1.1
159.02911	0.5
161.04562	3.5
173.90497	0.5
175.28397	0.4
222.27174	0.4
229.08681	100.0
230.09038	10.0
253.08482	0.4
331.17484	1.0
357.14471	1.3
359.91733	0.3
391.14319	0.4
391.19046	0.6
391.23453	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	391.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
57.58966	0.5
59.01382	22.0
61.98812	0.7
69.44061	4.3
71.01385	4.1
73.02950	0.7
81.03448	0.9
83.01395	0.9
85.02941	1.7
85.93247	0.5
89.02452	3.0
101.02449	2.9
102.05600	3.4
108.02200	0.7
109.02942	0.5
113.02406	1.5
119.03524	0.9
119.05045	0.9
121.02963	2.0
122.03748	12.6
123.04530	1.0
125.02468	1.0
128.03534	1.5
130.04245	0.7
143.04936	0.9
145.06583	1.6
147.04468	0.8
149.02405	0.6
159.08159	1.3
161.04567	2.8
165.05602	1.4
171.04471	0.9
172.05225	0.9
185.06142	0.8
185.09706	2.4
186.06816	0.5
187.07645	10.1
188.08020	0.8
195.06671	1.2
211.13542	0.6
219.13829	1.1
227.67265	0.5
229.08698	100.0
230.09042	10.6
331.17545	1.1
349.18918	0.8
374.16620	0.8
391.14465	0.7
391.19757	1.7
392.17188	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	391.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97479	1.0
57.03448	79.2
58.03766	1.3
59.01377	100.0
60.01710	2.2
61.98815	1.5
62.12571	1.1
71.01382	14.9
73.02928	3.7
81.03448	1.9
83.01383	2.1
85.02940	4.3
87.00889	1.7
89.02439	13.6
89.59884	1.1
90.43365	1.1
93.03452	3.1
95.01377	1.3
95.09200	1.1
99.00858	1.3
99.04514	58.5
100.04826	2.4
101.02438	22.2
103.59716	1.0
113.02448	8.9
119.03510	5.0
121.02882	1.2
123.04449	1.3
125.02435	21.9
143.03497	2.6
149.09154	1.0
161.04549	3.6
179.05592	2.1
184.61217	1.1
204.15788	1.0
215.82553	1.0
217.10869	1.3
217.42159	1.1
222.79387	1.0
229.10661	1.2
247.11862	1.9
337.09872	1.1
353.33856	1.1
370.69461	1.1
391.11157	1.3
391.15906	4.4
391.19586	5.7
392.20551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
58.02982	3.2
59.01068	0.6
59.01380	11.7
61.98835	3.4
70.73531	1.7
70.84626	0.5
71.01383	5.9
72.99315	1.7
73.02957	0.8
75.00849	0.8
75.67802	0.5
83.01386	4.1
85.02959	2.3
87.00854	0.7
89.02472	2.7
96.00938	0.7
99.00865	0.9
100.07677	2.0
101.02436	2.5
113.02450	1.2
116.07172	9.1
119.03487	1.4
119.04972	0.7
126.09266	0.8
137.02472	0.9
140.03485	1.1
142.05089	2.5
144.10301	7.9
145.10635	0.6
149.02492	0.8
161.04561	0.8
169.01157	0.6
188.09277	100.0
189.09628	4.7
211.04356	2.4
245.02769	1.8
267.11365	0.7
285.12796	0.7
349.91959	0.5
391.10901	1.9
391.16098	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	391.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01115	0.4
55.01865	1.9
57.03457	0.6
58.02970	2.3
59.01382	11.0
61.98822	1.2
70.15394	1.5
71.01386	7.1
72.99306	0.6
73.02948	1.3
73.77138	0.5
78.95912	1.9
83.01389	3.1
85.02969	2.6
89.02433	3.2
95.01337	0.6
96.96949	1.0
99.00874	0.8
100.07700	2.2
101.02444	4.4
113.02429	2.7
116.07177	8.6
116.35897	0.5
117.29455	0.5
117.68344	0.5
119.03499	0.8
122.70889	0.5
126.09245	1.9
131.03502	0.4
131.45781	0.5
140.03555	1.1
142.05124	3.5
143.03516	0.5
144.10315	8.3
145.10709	0.6
149.02486	0.6
149.72725	0.4
161.04575	1.0
188.09285	100.0
189.09633	5.2
193.08759	0.6
211.04333	0.8
212.08366	0.6
245.61089	0.6
250.24800	0.5
255.08936	1.1
267.11414	0.8
290.21768	0.5
311.42096	0.5
329.11270	0.6
362.14944	0.6
373.15173	0.7
391.11014	1.4
391.16000	8.2
392.16553	0.8
414.96707	0.5
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
55.01871	0.8
57.03455	0.8
59.01379	100.0
60.01718	1.3
61.98835	1.3
69.48202	4.7
71.01379	19.4
73.02948	9.7
83.01393	2.9
85.02943	5.7
87.00878	0.7
87.04540	1.2
89.02448	12.8
89.02994	0.7
95.01395	1.5
97.02990	0.6
99.00885	0.8
101.02446	12.1
113.02443	10.9
119.03499	4.1
125.02467	0.9
131.03506	0.9
132.02158	3.4
134.03732	9.2
134.04691	0.8
135.04068	0.6
143.03506	1.4
145.51022	0.6
149.06129	0.7
160.01660	25.0
161.02039	1.7
161.04530	3.0
175.03996	39.0
176.04410	2.2
178.02988	0.6
179.05600	0.8
187.13405	5.2
191.07185	0.7
193.05087	14.2
194.05347	1.4
196.16501	0.7
199.34125	0.7
199.37344	0.7
217.05048	3.0
235.06113	1.5
331.17490	4.8
349.18591	8.8
355.10321	11.8
356.10709	1.0
391.19888	1.6
392.18503	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00331	0.4
55.01880	1.1
57.03456	0.5
59.01381	100.0
60.01716	1.3
61.98837	0.8
65.00324	1.5
69.22076	3.6
69.22490	1.0
70.00570	0.4
71.01383	8.3
71.37057	0.4
72.79625	0.4
73.02946	2.8
77.36760	0.5
80.09026	0.6
83.01382	2.5
85.02950	4.6
87.00873	0.6
89.02452	1.9
95.01410	0.9
99.00890	1.5
101.02448	6.7
107.01390	1.4
113.02444	3.8
119.03516	0.6
119.05081	1.1
123.04593	0.5
145.02977	3.1
151.00360	3.5
159.03044	1.2
161.04591	7.2
161.06088	1.8
165.05551	1.4
175.00414	0.7
185.06134	1.7
229.05054	21.5
229.08749	1.5
230.05440	1.6
253.05112	3.4
271.06262	2.6
272.06509	0.5
301.07382	0.9
331.17578	5.5
391.10699	0.9
391.19241	0.7
391.23550	3.3
392.23993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31612	0.5
55.01876	1.2
57.03448	0.7
58.00594	1.1
58.52545	0.4
59.01381	100.0
60.01717	1.3
65.01892	0.4
69.03454	0.5
69.52879	3.0
71.01385	28.3
72.99325	1.4
73.02544	1.0
73.02950	17.5
83.01396	4.9
85.02953	8.2
87.00889	1.4
87.04501	0.6
89.02448	20.3
95.01417	1.8
97.02988	0.6
98.20712	0.6
99.00916	1.5
100.77337	0.5
101.02445	24.0
102.02802	0.8
113.02451	11.0
117.03490	0.6
119.03503	8.7
125.02480	1.2
131.03537	1.1
141.09248	1.3
143.03487	3.6
145.03004	1.4
149.04558	1.2
151.11349	0.9
159.02997	0.6
161.04549	9.9
161.05849	0.6
169.12376	0.5
179.05630	4.8
187.13373	5.7
295.00034	0.5
299.97711	0.4
331.17703	2.8
349.18683	16.3
349.23007	0.8
350.19235	1.9
378.63782	0.4
391.19827	0.7
392.11224	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89735	0.8
59.01381	100.0
60.01710	1.6
69.24989	3.9
69.25416	4.0
71.01376	4.8
85.02959	1.2
89.02445	7.2
98.19942	2.0
101.02439	2.9
113.02480	2.5
119.03486	2.9
125.95339	0.7
146.30847	0.8
158.19087	1.0
179.05540	1.1
234.11275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01722	1.6
69.45933	2.4
69.46364	2.9
71.01389	7.9
84.79888	0.8
85.02969	2.1
87.00841	0.8
89.02448	14.9
93.50462	0.8
96.00933	1.1
98.02478	1.3
98.19910	1.2
101.02431	5.8
105.21992	0.7
113.02457	4.5
113.03580	1.0
119.03522	6.0
143.03534	1.1
147.04573	2.3
150.05760	0.9
161.04636	1.5
164.07176	4.3
165.10370	0.8
166.08803	2.6
179.05719	2.5
186.23894	0.8
256.08548	1.0
275.13416	0.8
277.15610	1.5
311.70740	1.1
313.15826	1.1
331.17737	1.9
357.14511	10.6
374.17252	3.7
391.20084	2.5
392.18356	1.2
413.94330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03171	0.5
57.03447	1.4
58.00600	0.8
59.01380	100.0
60.01709	1.6
61.98834	1.1
69.03461	0.6
69.99481	2.5
71.01384	18.9
72.99339	1.1
73.02943	10.0
75.97596	0.5
80.54509	0.4
81.85207	0.4
83.01389	3.4
84.43866	0.5
85.02953	4.9
87.00891	1.4
87.04528	0.7
89.02443	14.4
94.60357	0.5
95.01398	1.3
99.00893	0.5
101.02445	16.0
101.03091	1.1
113.02454	7.0
119.03500	6.2
125.02469	0.8
131.03436	0.7
131.07820	0.5
143.03534	2.1
143.61479	0.5
159.02925	0.7
161.04570	4.7
179.05591	3.2
187.13358	6.6
188.13666	0.7
331.17743	1.9
349.18607	12.6
350.19153	1.0
391.19666	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05904	0.5
57.03450	1.0
58.00578	0.7
59.01381	100.0
60.01715	1.6
61.01839	0.5
61.98834	38.4
69.03469	0.8
71.01383	19.7
71.56293	0.5
71.56631	0.7
72.25633	0.5
72.99306	0.5
73.02954	9.0
77.55495	0.5
77.68534	0.5
81.03475	1.6
83.01385	3.8
85.02956	3.8
85.55084	0.5
87.00898	2.0
87.04520	1.0
88.04060	0.7
89.02447	14.1
95.01420	1.7
99.00890	0.7
101.02448	14.5
113.02450	8.6
115.00388	1.6
119.03511	7.0
121.03043	0.6
123.04522	6.6
123.05223	0.5
125.02455	1.2
129.10347	3.2
131.03561	0.9
137.02464	0.5
143.03510	1.1
146.06100	1.2
149.02524	0.5
149.04642	0.9
150.03287	1.2
151.04120	0.5
159.03117	0.5
160.01726	0.5
161.04546	4.2
163.04050	0.7
165.05594	1.1
167.03499	13.1
167.04929	0.7
179.05630	2.4
187.13406	5.9
191.03503	4.1
195.06653	0.7
207.06709	0.8
209.04607	1.7
210.13162	0.5
229.08698	5.2
276.17279	1.0
277.15601	1.2
329.08829	5.8
331.17569	6.4
343.11768	2.4
349.18661	17.0
350.19122	2.3
386.21130	0.5
391.15030	0.8
391.19818	4.6
392.18481	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	57.2
69.73685	8.6
69.74091	30.8
74.43568	5.9
95.78384	5.6
107.91200	5.7
110.30808	6.4
117.98692	6.6
152.99596	19.6
165.17120	6.4
173.89044	6.1
255.23305	100.0
256.23618	14.6
267.31503	6.6
279.23364	20.1
391.22470	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	391.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01870	4.4
59.01381	100.0
59.72744	4.5
60.01748	4.3
70.83279	13.8
74.21295	5.1
82.97134	5.5
88.33276	5.7
108.04781	5.3
152.99571	18.7
226.07582	4.8
255.23296	75.1
256.23648	12.0
272.81192	5.3
279.23145	10.4
391.22583	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	392.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52745	0.7
53.45216	0.7
59.01374	2.3
61.98832	100.0
69.88240	1.5
69.88641	2.4
97.97436	0.7
110.66810	0.8
123.04521	8.0
125.02410	1.9
167.03491	33.1
168.03876	1.8
168.80827	0.8
181.05016	0.9
184.05356	0.9
191.03496	8.4
192.03818	0.9
209.04556	2.3
329.08777	14.5
330.09048	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	392.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58640	5.0
55.82484	4.9
59.01377	21.2
61.98829	100.0
77.84019	5.5
84.71796	5.9
96.79179	5.4
96.95949	6.5
98.53162	5.4
137.95990	5.7
341.66757	6.1
346.93323	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	393.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.2
59.01381	100.0
60.01742	5.5
61.98838	32.8
69.49077	27.8
70.39256	4.1
70.92922	4.9
71.01384	48.3
72.83932	4.1
73.02946	16.1
85.02960	17.6
87.00870	8.7
87.04495	5.2
89.02455	29.0
98.20621	8.5
100.00492	4.2
101.02448	28.3
113.02454	13.4
119.03500	10.0
129.10344	5.8
143.03554	9.7
163.06152	11.0
190.77917	5.1
205.07137	11.4
255.02946	6.2
271.02396	12.0
299.01892	6.8
300.02936	23.9
301.03415	8.6
312.06699	32.7
312.56778	10.7
393.13135	40.0
393.18143	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	393.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42468	0.8
59.01378	24.2
61.93261	0.7
61.98834	4.5
69.83430	4.4
70.59967	0.6
71.01384	7.4
72.99295	1.5
73.02960	1.8
75.92941	0.8
83.01366	1.1
85.02950	3.4
87.00889	1.2
89.02457	6.1
95.02465	0.7
97.01035	0.8
100.80699	0.8
101.02435	5.0
113.02444	3.3
119.03475	3.0
127.07656	100.0
128.08003	5.2
131.03458	1.0
133.92726	0.9
139.04027	1.7
171.06628	72.9
172.06976	2.8
179.05630	1.1
205.07167	0.9
224.41704	0.8
232.88435	0.8
287.18671	0.9
307.13977	2.1
346.60294	0.8
393.13922	10.8
394.14365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
57.03445	1.1
58.00598	4.6
59.01378	100.0
60.01706	1.6
69.03449	1.2
69.53808	1.9
69.54216	4.5
71.01382	53.3
72.01703	1.2
72.99319	5.1
73.02949	10.7
83.01395	2.6
85.02950	16.5
87.00875	7.9
87.04498	2.4
89.02442	77.1
95.01380	3.4
99.00868	2.3
101.02443	40.6
103.03999	7.4
113.01703	1.7
113.02447	23.9
114.02767	1.4
115.03989	4.2
119.03500	33.8
120.03877	1.1
125.02428	1.0
127.03839	1.0
129.62808	0.8
131.03516	8.7
134.03697	1.2
143.03499	15.7
145.05083	2.1
149.04553	2.8
160.01707	4.6
161.04565	7.0
163.06129	17.9
163.27922	0.9
165.05696	0.9
171.10254	0.8
171.61650	0.8
175.03975	6.3
179.05597	18.4
193.05052	2.0
198.19998	0.9
200.28947	0.8
205.07149	16.3
206.07402	1.2
229.25372	0.8
247.08163	3.0
247.11845	8.1
274.27780	0.9
355.10208	1.3
393.17633	30.6
394.17847	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88629	0.6
52.30065	0.7
55.01878	1.1
57.03458	1.1
58.00602	2.5
59.01379	100.0
60.01730	1.3
67.26636	0.6
69.03468	1.4
71.01382	42.9
71.33006	1.3
72.01754	1.0
72.99303	5.8
73.02947	18.4
75.00900	1.4
83.01374	3.0
85.02953	16.5
86.00123	2.4
86.03288	0.9
87.00875	14.9
87.01365	0.9
87.04522	4.6
89.02445	48.4
90.02792	0.6
95.01403	2.5
97.02920	1.0
99.00877	1.3
99.04554	1.6
101.02445	41.0
102.02769	0.9
103.04011	13.9
105.05614	0.6
105.43710	0.6
113.02454	13.8
115.04017	10.4
119.03501	24.1
125.02422	1.5
127.04028	1.1
130.79329	0.7
131.03503	15.4
132.03818	0.7
136.37358	0.7
143.03497	20.7
144.03758	0.8
145.05055	4.4
146.36055	0.6
161.04591	3.2
163.06117	29.3
164.06499	0.7
179.05698	3.4
205.07172	32.7
206.07599	1.4
247.08232	6.2
247.11931	1.3
294.40100	0.7
312.01019	0.7
393.17627	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	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
57.03447	5.9
58.00582	3.2
59.01380	75.9
60.01678	1.4
61.98836	6.1
69.03419	1.2
70.68127	1.1
70.68493	3.5
71.01382	100.0
72.99296	3.1
73.02951	28.4
75.00871	2.0
83.01393	13.9
85.02953	45.5
87.00869	9.1
87.04501	1.8
89.02444	21.8
95.01376	7.7
97.02950	2.7
99.00901	14.2
101.02444	56.7
103.04002	2.1
111.00869	2.4
113.02450	41.3
114.02750	1.8
119.03495	6.5
125.02425	4.2
127.03997	1.5
129.01930	2.0
131.03508	1.7
139.00328	1.9
143.03494	4.3
145.05045	1.3
146.57964	1.1
150.03142	1.3
158.25287	1.1
159.02989	9.8
160.01620	2.1
160.03036	1.3
161.04556	56.7
162.04871	2.5
163.06061	2.1
175.03958	3.5
179.05582	2.4
185.96899	1.1
193.05205	1.6
203.03450	2.7
205.03598	1.6
205.07106	2.9
208.07420	1.3
213.11266	2.4
231.06522	1.4
247.11862	76.8
248.12202	6.3
251.09241	3.9
252.29161	1.1
270.09311	1.1
283.10101	1.1
295.08154	2.5
333.15561	4.8
393.12479	2.8
393.17606	85.4
394.17789	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	393.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	24.1
69.60018	100.0
96.95998	24.4
98.19888	31.4
111.69560	17.0
113.99580	63.3
129.04773	16.0
180.05728	19.1
223.11856	18.1
309.17584	16.8
337.30814	23.1
354.62042	16.4
365.30518	33.6
377.37814	20.1
393.30060	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.7
61.98830	100.0
63.17859	1.9
64.46564	2.5
71.01377	6.3
71.56683	3.7
73.02901	2.0
77.22084	2.2
85.02972	5.3
95.01353	2.5
101.02448	5.9
113.02441	3.9
120.64078	2.1
159.57657	2.1
164.07083	2.4
234.41203	2.2
249.13370	7.3
341.33316	2.3
395.19388	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	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.5
60.01715	6.1
61.98833	100.0
65.20921	3.1
70.28773	3.5
71.01385	10.7
73.02933	4.9
85.15360	4.0
89.02444	8.0
97.88287	4.2
98.20643	8.1
101.02463	5.9
113.02514	5.0
152.13741	3.9
152.15065	3.4
179.74495	3.6
184.93953	3.6
209.00909	3.1
249.13550	5.8
356.57516	3.6
395.18890	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	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	4.8
59.01066	4.3
59.01380	87.3
60.01704	12.1
61.98833	100.0
66.60958	2.9
71.01376	6.6
73.02978	4.0
85.02972	3.8
94.12002	3.0
98.20753	5.3
99.00886	3.5
101.02441	7.9
113.95865	3.6
132.84579	3.2
156.17245	3.1
161.04594	6.9
164.07158	3.8
191.08728	3.7
206.96461	3.8
249.13409	3.9
275.09180	8.3
276.41931	3.7
328.05243	3.3
334.19598	6.8
395.13510	9.9
410.43591	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	394.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90416	1.7
59.01372	4.4
61.98833	100.0
69.59026	12.5
94.49097	1.6
98.19974	4.0
116.87652	1.7
118.03492	1.9
123.04517	2.3
232.75266	1.8
374.46515	1.8
395.08301	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	395.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01382	4.8
61.98829	2.6
71.01396	2.8
73.02968	1.5
74.07323	0.9
78.11459	1.0
82.12827	1.0
83.01389	1.7
83.05029	1.8
85.02992	1.4
87.00863	5.7
91.05534	54.9
92.05888	2.6
99.04513	2.4
101.02460	1.5
115.00384	3.5
115.04018	2.1
115.05533	22.2
117.07110	4.4
133.06598	99.5
134.06911	6.7
135.04523	5.6
143.05028	8.9
157.01407	5.0
161.06079	13.9
163.04008	100.0
164.04367	5.6
175.02504	2.5
175.07739	1.9
177.05571	14.4
187.04015	32.1
188.04285	1.7
188.65323	1.2
199.13367	8.8
205.04976	1.2
219.06638	13.8
220.06958	1.4
234.84515	1.1
237.07677	64.3
238.08105	6.7
239.26762	1.0
343.70859	1.1
395.09842	4.2
395.20837	8.0
418.71478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11179	1.8
57.03442	2.4
59.01383	100.0
61.98820	15.3
62.60458	2.2
71.01385	20.8
71.55658	2.1
71.56071	2.5
72.99294	2.4
73.02937	5.1
74.66273	2.0
75.00894	4.7
75.95304	2.1
83.01385	2.9
85.02937	10.4
87.00890	3.8
89.02457	13.7
96.89840	2.1
99.00914	3.0
101.02441	14.7
113.02456	8.8
117.03445	4.1
119.03470	5.5
123.04511	4.9
125.62289	2.2
133.06590	14.5
143.07182	2.5
154.01437	2.6
159.04550	2.6
161.04538	10.2
162.05084	2.2
171.04422	2.6
173.08189	2.8
173.11815	7.2
184.64592	2.1
185.83469	2.1
198.68304	2.0
199.07616	3.2
205.05074	5.1
214.06314	3.0
215.07103	5.3
215.09161	3.1
233.04451	5.2
233.08182	3.2
239.09244	2.3
247.06134	4.7
259.61176	2.2
275.05533	10.7
335.17157	11.6
360.12662	2.5
382.90912	2.4
395.09378	4.8
395.13577	8.0
395.19110	4.5
396.14059	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	395.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98816	52.7
64.95238	28.6
69.82797	77.6
71.01373	60.7
83.01350	15.3
84.58524	14.0
85.02945	31.2
88.80437	14.7
89.02442	24.3
90.16994	14.3
101.02425	44.7
113.02444	22.0
119.03465	15.3
128.01686	19.2
128.82414	14.2
133.20602	17.7
134.45700	17.6
146.08223	91.1
161.04530	16.2
212.99420	15.6
275.10648	24.9
277.12238	33.3
309.09476	41.2
395.15393	32.1
396.12216	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
57.03453	4.2
58.00579	2.7
59.01380	53.1
69.03457	1.4
69.46717	4.6
71.01382	44.2
72.01720	1.3
72.99306	2.5
73.02943	20.3
75.00896	1.1
83.01383	12.1
85.02949	28.3
85.06556	0.8
85.24680	0.6
86.00100	2.6
86.08830	0.6
87.00868	3.7
87.04504	1.1
89.01932	0.6
89.02451	8.2
95.01406	3.2
97.02939	1.6
98.19892	0.9
99.00884	7.0
101.02442	50.2
103.04015	5.8
104.19476	0.6
111.00869	1.3
112.01617	0.7
113.02448	18.4
115.04002	0.9
119.03503	1.7
125.02429	1.9
127.03982	0.9
129.01942	1.3
131.03513	1.1
143.03494	2.6
145.05138	0.9
154.91805	0.6
157.08711	0.9
158.10762	0.6
159.03033	3.5
161.04556	19.7
162.04980	0.7
163.06151	2.2
205.07230	1.6
249.13428	100.0
250.13731	6.3
330.08850	0.6
395.19220	51.5
396.19409	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	395.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23854	0.8
55.01874	4.0
57.03441	3.6
58.00607	1.3
59.01382	53.0
61.98833	4.0
69.03468	1.2
71.01385	45.2
71.55866	1.0
71.56276	0.9
72.99304	2.6
73.02951	23.1
79.60034	0.8
81.03470	0.8
83.01392	11.7
85.02958	28.7
86.00092	1.5
86.03268	0.9
87.00866	4.9
87.04519	1.2
89.02445	8.8
95.01387	4.2
97.02912	1.7
99.00877	8.9
101.02446	52.9
103.04014	4.5
111.00907	1.5
113.02453	16.7
114.02840	0.9
115.04020	1.2
119.03504	1.9
125.02416	1.4
129.01912	1.2
131.03528	1.5
143.03510	4.0
145.05093	0.8
159.03017	3.7
161.04562	20.2
163.06117	2.0
183.10197	0.9
205.07230	2.0
249.13441	100.0
250.13765	7.1
395.14056	1.7
395.19208	40.6
396.19568	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	395.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.3
61.98822	0.7
63.64926	0.2
69.24313	2.5
71.01404	0.5
73.02943	0.4
75.00870	0.4
78.95898	1.9
84.51084	0.2
89.02471	0.3
96.96026	0.5
117.01949	0.7
127.07666	0.4
135.02980	0.8
135.48833	0.3
137.06607	0.3
141.04289	0.3
149.15752	0.3
152.99597	3.0
183.01239	0.5
259.20709	0.4
277.21716	100.0
278.22052	12.0
310.17850	0.5
311.16904	2.0
395.24554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
59.01371	1.6
68.99779	0.5
71.01371	0.8
72.80552	0.5
73.48026	0.6
77.03975	2.4
79.01916	1.4
81.03457	1.8
83.01407	2.5
85.02950	5.0
93.03447	0.9
95.05032	0.9
105.03451	0.8
111.00867	0.6
119.05027	2.8
121.02982	2.5
125.02456	0.8
129.01938	0.7
133.06584	1.9
135.04497	1.1
137.06116	0.9
145.02982	1.2
146.03793	0.7
147.02948	0.8
149.02435	3.2
161.02455	1.4
161.06073	4.9
163.03995	6.1
167.21582	0.5
170.80330	0.4
177.05527	0.5
189.05499	0.7
190.02715	2.0
191.01952	1.3
191.03500	4.7
203.03494	2.5
204.04256	1.3
205.05052	88.5
206.05394	7.6
215.03464	2.9
217.05103	1.1
231.03055	0.6
231.06499	0.9
233.04544	100.0
234.04872	8.2
240.97290	0.5
245.02229	0.6
245.04512	4.2
249.07611	1.2
251.04260	1.2
259.06073	0.7
263.05582	4.5
277.07153	17.4
278.07321	1.3
307.08185	0.6
328.31793	0.5
353.08752	56.3
354.09070	6.7
397.11404	13.8
398.11655	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1139
Annotation	Cnidioside B
Peak:m/z	Relative Intensity
57.03438	1.0
59.01365	2.1
61.98830	1.9
71.01366	1.6
83.01416	0.9
85.02950	5.9
85.12394	0.7
105.03435	1.0
106.55415	0.6
115.09866	0.7
117.03471	0.8
117.07104	0.8
119.05015	2.0
121.02936	1.1
123.04482	0.9
125.29197	0.7
129.01962	1.1
137.84711	0.8
145.02928	0.9
147.04514	1.0
149.02432	2.4
159.04527	0.9
161.06090	3.8
163.03973	2.1
164.04782	2.1
165.01920	2.7
175.00140	0.7
175.03989	1.1
191.01901	0.8
191.03479	3.3
191.05573	1.2
197.97525	0.6
203.03488	11.6
204.04259	12.2
205.05049	59.0
206.05392	3.5
215.03482	2.7
217.05011	5.5
221.66309	0.7
223.06113	3.5
233.04539	42.8
234.04831	3.6
235.06007	3.7
245.04503	9.8
247.06059	3.3
248.06859	1.8
249.07678	9.8
250.08047	0.8
259.06122	1.4
261.07654	1.5
263.05573	6.9
268.93515	0.6
275.05615	1.5
277.07162	100.0
278.07523	10.7
280.05905	1.7
289.07169	7.1
290.07678	1.0
294.39111	0.6
307.08212	27.0
308.08560	3.0
319.08249	3.2
337.09207	0.9
343.08206	0.7
379.10410	1.5
397.11380	74.1
398.11572	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	397.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73303	1.3
55.01872	5.0
57.03445	3.1
58.00593	5.6
59.01380	100.0
68.99803	1.3
69.03461	7.8
71.01384	97.7
71.03313	3.0
72.01701	1.4
72.99307	8.7
73.02952	22.7
75.00870	2.6
81.03465	2.3
83.01393	11.3
83.05032	2.0
85.02948	25.3
86.00101	1.5
87.00880	23.1
89.02448	77.1
91.04025	2.1
93.03490	2.2
95.01393	7.1
97.02953	21.5
97.71922	1.1
97.84255	1.7
99.00874	5.8
100.65763	1.2
101.02448	76.2
102.02773	1.7
103.04067	1.7
109.02974	1.7
109.06608	1.9
109.66320	1.3
111.00884	1.6
111.04531	4.5
113.02454	37.9
115.03982	2.1
119.03510	27.1
121.02968	2.5
125.02450	26.7
127.03989	2.0
131.03459	3.0
133.05070	5.9
139.04027	3.2
141.01961	2.1
143.03505	10.3
149.04547	2.5
149.05997	1.9
161.04535	17.5
169.04967	3.1
171.02991	1.4
179.05605	7.5
203.05527	1.5
217.07095	2.5
219.04922	1.4
221.06682	4.6
235.06039	2.2
235.08223	23.0
245.06723	1.8
253.09363	1.5
268.26242	1.2
277.09140	2.3
287.07895	1.7
305.08694	2.9
361.11185	1.6
379.12326	2.3
397.13507	82.1
398.13794	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	397.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.3
57.03436	4.8
58.00590	3.1
59.01381	100.0
61.98822	2.6
66.25005	2.1
69.03442	7.0
71.01381	92.4
72.99297	7.7
73.02944	23.0
77.45086	1.8
80.67292	2.0
81.03437	5.3
83.01392	12.4
85.02956	22.0
87.00893	19.5
89.02448	73.7
95.01379	6.9
97.02959	20.8
99.00898	4.1
101.02438	78.6
102.02773	2.9
111.04523	5.9
113.02464	30.8
119.03501	30.7
125.02438	26.4
131.03500	3.6
133.05086	4.3
139.04031	4.2
143.03488	16.0
161.04552	12.3
179.05582	5.7
217.07062	2.6
221.06688	6.0
229.28258	2.3
235.08206	22.8
238.37834	2.1
305.08759	4.4
323.10049	2.3
397.13486	74.2
398.13895	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	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	3.3
59.16039	0.9
59.23159	1.1
70.22108	4.5
71.01389	3.2
78.95895	2.9
85.02954	1.5
107.04991	1.3
113.02460	1.4
135.04523	20.6
152.99529	6.1
163.04005	100.0
164.04324	6.2
178.06349	77.9
178.07639	0.8
179.06714	6.9
189.24884	1.1
193.08698	88.3
194.09023	6.8
218.98642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	28.2
61.98832	8.2
71.01368	5.8
77.20917	4.8
79.95742	15.0
83.16795	5.9
89.02451	6.8
96.96009	85.8
104.17171	4.6
122.97585	7.5
125.02464	5.5
137.79300	6.2
143.11838	5.6
149.85010	5.2
352.89288	4.6
397.22635	100.0
398.23123	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	397.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10350	3.4
55.27393	3.4
56.73784	3.4
59.01363	3.5
69.84745	16.9
79.95744	12.5
87.58979	3.9
90.05958	2.9
94.92905	3.5
95.95226	5.7
96.96011	87.0
113.68182	3.4
117.14037	3.6
122.97622	5.3
397.22638	100.0
398.22937	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	397.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01108	0.7
59.01386	1.7
61.98860	1.5
62.65562	0.6
64.18351	0.6
71.01402	0.8
71.56064	0.9
72.88256	0.6
79.95774	3.1
96.93180	0.7
96.96013	21.3
107.07389	0.7
121.92922	0.7
122.97619	1.3
172.59961	0.6
184.34712	0.6
246.02693	0.6
277.74460	0.6
279.23279	100.0
280.23651	11.0
312.17123	1.0
322.34039	0.8
339.19733	0.9
342.43811	0.7
397.22528	25.9
397.33371	1.3
398.22769	3.8
400.51007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.1
57.03452	18.9
59.01371	6.3
61.98829	19.7
66.44545	1.2
67.24496	1.2
69.72427	6.6
71.01392	9.1
72.99309	2.8
73.02944	2.9
75.00893	2.3
75.47506	1.3
80.50921	1.2
83.01377	10.5
84.02188	1.5
85.02955	100.0
86.03268	2.9
93.37893	1.2
96.29591	1.1
98.20596	2.3
101.02452	10.4
103.04072	1.4
111.00882	43.8
118.71510	1.2
129.01942	35.6
134.03723	14.8
147.03006	3.0
149.06059	1.2
161.04578	3.5
177.05641	1.5
180.04297	2.3
187.02457	2.2
193.05080	5.1
195.06635	2.9
205.03513	34.0
223.04585	96.5
224.04916	5.3
408.66495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03779	0.8
55.01895	3.9
57.03190	1.4
57.03448	20.1
59.01112	0.9
59.01367	5.0
67.01875	1.7
68.99813	1.6
69.28378	8.1
71.01385	8.0
72.99303	2.0
73.02944	2.0
73.67529	0.8
75.00867	1.6
80.86289	1.0
83.01384	10.0
84.02156	2.4
84.22049	0.9
85.02950	100.0
86.03296	3.0
87.00907	1.1
89.02425	0.9
99.00880	1.1
101.02431	5.1
111.00875	27.6
112.01192	1.7
112.61242	0.9
113.02441	1.0
117.03482	1.3
120.81109	0.9
129.01944	41.8
130.02286	1.5
134.03735	12.1
137.02457	1.1
143.03496	1.1
147.03008	1.2
149.06064	1.2
161.04507	2.5
162.03204	3.3
163.04085	1.0
177.05486	1.0
178.02632	0.9
180.04280	10.3
187.02402	1.5
193.05075	9.5
194.05351	1.0
195.06627	17.0
196.07002	1.7
205.03523	24.1
223.04575	18.8
399.13071	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59406	1.4
55.01876	4.1
57.03450	22.6
59.01379	4.5
71.01382	10.7
71.19321	1.7
71.19649	2.3
72.99330	1.6
73.02957	1.9
75.00872	2.4
83.01380	10.6
84.02154	1.8
85.02953	96.5
86.03282	3.2
87.00874	3.3
91.32269	1.4
101.02444	8.0
102.02148	1.5
111.00887	37.1
129.01961	34.4
132.79337	1.4
134.03723	13.5
147.03049	2.7
160.01782	1.4
161.04626	4.2
179.05666	1.4
187.02484	2.4
193.05070	5.1
195.06679	2.7
205.03555	34.4
223.04590	100.0
224.04915	3.5
296.57880	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.7
55.30945	1.1
57.03448	19.5
59.01377	1.8
61.98825	2.2
67.01884	1.3
69.52519	5.7
71.01389	6.1
72.99326	1.7
73.02957	1.5
75.00885	2.0
76.12894	1.0
83.01401	10.7
84.02146	1.8
84.84768	1.0
85.02953	100.0
86.03314	3.0
101.02464	5.3
111.00883	31.1
112.01257	1.3
117.03471	1.5
129.01947	42.8
134.03754	12.8
161.04587	2.0
178.02681	1.6
187.02477	1.6
193.05045	6.9
205.03543	24.0
206.03754	1.8
223.04573	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	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
56.60389	1.7
57.03444	2.2
58.00598	2.0
59.01376	37.6
59.18916	1.5
60.01703	1.6
71.01383	46.5
73.02959	17.4
75.00835	1.4
79.37586	1.6
80.62941	1.4
83.01385	9.0
85.02948	22.2
87.00874	2.0
89.02446	17.9
89.70084	1.5
95.01388	4.9
98.19853	3.3
99.00878	7.4
101.02442	45.9
103.81364	1.4
113.02448	22.9
115.05566	2.2
119.03503	5.3
121.02963	6.5
143.03529	3.8
159.02986	5.5
161.04558	35.8
186.58170	1.4
187.04041	3.7
225.40179	1.6
236.44623	1.5
251.11354	100.0
252.11626	4.8
363.82837	1.4
399.12811	4.3
421.41388	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87298	10.0
69.34450	100.0
71.75089	11.6
76.12617	11.7
94.66994	12.4
98.57144	11.2
143.52589	13.1
148.31601	13.5
154.43953	13.4
183.01253	18.2
281.24936	34.7
339.19815	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	399.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41226	3.5
55.46199	3.5
59.01378	100.0
65.09437	4.0
69.24281	36.1
74.21116	4.0
75.71217	3.8
98.20588	7.8
98.95576	4.9
128.49399	3.9
279.41504	4.4
399.22781	5.2
399.28955	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	399.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98820	4.7
71.55545	5.2
79.81786	2.9
83.03472	3.6
85.86536	3.2
96.95998	5.0
116.92879	3.3
231.64609	3.0
262.30884	3.4
269.14099	3.4
278.68536	3.3
334.42654	3.1
399.22308	5.7
399.34793	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	399.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15703	18.6
59.01376	18.9
69.65134	100.0
71.01379	19.8
80.94663	17.2
82.99771	17.5
85.02969	38.0
87.00847	27.9
88.01705	16.0
115.00350	31.0
126.66145	16.6
151.81087	17.7
157.01433	45.4
241.21649	48.0
399.24939	24.4
399.34698	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	401.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	49.0
69.40079	3.0
69.40489	8.7
71.01399	1.9
73.73600	1.2
74.70676	1.2
79.84487	1.6
96.95994	2.3
98.20714	2.3
101.02422	1.6
107.05027	12.9
113.02447	1.6
119.03500	2.0
121.02975	3.4
133.46346	1.2
135.04521	4.7
160.84164	1.5
161.02464	3.2
179.03502	100.0
180.03824	7.0
334.03201	1.5
376.02396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32158	1.8
59.01373	8.4
62.84230	1.5
65.26273	1.7
66.91123	1.9
68.99802	1.7
69.72292	9.5
70.93617	1.5
71.01371	5.8
72.99291	3.5
73.02945	7.7
81.03481	1.8
83.01396	1.8
85.02941	5.4
87.00877	60.8
95.01403	1.7
99.00912	2.0
101.02454	3.6
113.02464	2.8
121.02950	3.2
123.00876	6.1
129.01900	1.8
131.03548	2.3
138.03256	3.4
138.89648	1.8
149.02448	4.5
149.48470	1.7
151.00410	2.6
151.04002	2.6
153.05565	2.5
161.02406	8.2
162.25606	1.7
163.04018	25.1
164.04791	16.8
165.05524	4.6
166.02774	4.1
167.03105	1.7
173.02432	2.9
175.03961	3.5
176.04808	13.6
177.01895	3.3
177.05307	2.6
178.06349	20.7
179.03525	13.0
179.07120	39.1
180.07448	3.3
181.05077	8.7
187.03987	1.7
188.04869	2.5
190.02692	1.7
190.06433	1.6
191.03490	20.5
191.07161	8.4
192.04083	4.2
193.05028	8.8
193.08667	6.7
194.05792	13.7
203.03500	9.7
204.04161	2.5
205.01411	2.8
205.05106	12.4
206.05820	10.3
207.02937	2.8
207.06572	4.7
208.07310	3.1
209.08130	11.6
218.05791	4.4
219.02959	4.5
219.06450	2.1
220.03566	1.9
221.04472	6.5
221.08237	9.4
222.05240	2.5
234.05302	4.7
235.06021	5.5
236.06871	2.2
237.07639	4.0
238.04741	2.4
246.05260	2.0
247.02383	7.3
247.06197	8.3
249.07684	6.4
250.04802	4.2
251.09180	5.5
261.07574	1.8
262.04785	11.6
265.07166	71.5
266.07440	7.2
277.07144	34.2
278.07370	2.9
295.08215	94.2
296.08444	9.3
325.09137	2.6
337.09332	2.9
355.10342	25.0
356.10907	2.8
378.56784	2.0
379.28796	1.8
383.09933	10.3
401.10849	100.0
402.11218	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	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	50.7
66.48864	6.7
69.48518	13.3
69.48930	41.9
71.01379	44.2
73.70296	6.3
85.02944	19.3
87.00877	68.7
89.02438	48.6
94.95714	11.7
95.35214	6.5
98.19920	15.4
101.02431	23.3
106.66618	7.3
111.00941	7.8
113.02450	17.5
119.03513	11.6
138.05173	7.3
161.02509	8.8
164.04750	10.0
166.02701	8.5
176.04803	7.7
179.03477	15.1
179.05559	29.9
179.07124	37.5
181.04993	8.4
193.05064	11.8
194.05861	10.6
209.08109	22.3
218.46805	7.0
219.06717	7.1
265.07150	86.7
325.09280	20.9
341.10791	53.9
364.15790	7.3
401.10837	100.0
402.11389	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	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03336	0.9
59.01379	100.0
63.38004	0.8
64.61996	0.9
71.01379	4.1
71.10557	2.1
74.02482	1.0
85.02952	2.5
89.02448	6.1
101.02422	3.0
107.84778	0.9
113.02457	1.8
119.03501	2.6
146.03740	21.4
147.04021	0.9
153.09209	1.2
161.04704	1.5
161.06049	6.3
164.04800	12.3
179.07135	54.7
180.07475	3.0
209.04410	0.9
213.06505	0.9
221.11743	1.3
265.90829	1.0
311.07736	1.1
338.37128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42192	8.5
61.98829	100.0
67.81477	8.6
69.54651	24.7
69.55088	36.1
71.46435	7.1
82.53787	8.5
83.25193	7.5
91.26788	7.5
95.24998	7.9
95.51482	8.0
116.92909	8.0
121.03030	8.4
121.66013	8.5
139.33403	8.5
146.96585	65.4
157.01099	8.7
293.57242	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54208	0.8
58.00599	1.1
59.01379	23.8
61.98828	31.4
67.01862	0.9
69.66274	2.6
69.66698	2.7
71.01382	14.0
72.99313	2.4
74.66085	0.8
81.73582	0.8
83.01377	3.1
85.02962	4.0
87.00889	1.3
89.01924	1.2
89.02445	13.8
93.03474	1.7
95.01376	4.3
99.00857	1.2
101.02447	8.8
105.01927	2.9
109.02964	1.8
111.00868	2.5
111.10243	0.8
113.02449	5.0
119.03497	7.9
119.04980	1.3
121.02950	1.3
123.00890	13.8
123.04531	2.2
125.02425	2.2
127.00383	2.3
133.02968	2.0
136.98813	3.3
137.02461	5.5
138.03242	8.3
139.00362	9.2
139.03996	2.2
149.02385	0.9
151.00323	1.1
152.01082	1.8
152.04733	1.5
153.05560	2.7
161.02446	7.7
163.00349	2.8
164.01164	1.6
165.01915	10.7
167.03429	2.1
177.01889	5.2
179.03453	2.9
180.04297	4.8
193.01421	22.2
193.03178	1.2
195.06575	2.0
207.02870	1.9
208.03754	37.9
209.04173	3.1
223.06107	100.0
224.06427	7.1
283.06146	1.3
285.07462	1.1
313.07196	2.6
315.08722	2.4
341.08792	3.0
403.12076	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23586	0.7
52.16965	0.6
55.01876	0.9
55.86004	0.6
57.02441	0.6
58.00583	0.9
59.01381	25.2
61.98528	1.2
61.98830	14.0
67.01929	0.7
69.23061	0.6
70.01880	2.9
71.01379	11.5
72.77814	0.8
72.99308	0.8
74.06620	0.7
75.00890	0.8
83.01399	2.1
85.02940	2.2
89.01920	1.1
89.02449	14.4
95.01385	2.8
98.19972	0.9
101.02444	9.6
105.01926	0.9
109.02959	1.1
111.00886	2.8
113.02460	4.5
119.03520	5.7
119.04952	0.6
121.02964	1.6
123.00885	14.2
125.02447	1.1
127.00366	2.5
133.02884	0.7
133.15242	0.6
136.98799	2.5
137.02446	4.2
138.03226	7.7
139.00357	9.2
151.00414	0.8
151.03981	1.2
152.04771	1.8
152.84755	0.7
153.05536	2.5
154.02719	1.3
161.02422	5.0
163.00363	2.0
164.01053	1.3
165.01920	10.8
166.02695	1.0
177.01926	3.7
178.02594	0.7
179.03493	2.1
180.04306	6.3
182.04208	0.7
193.01408	23.5
194.01758	0.8
195.06642	1.4
207.02937	1.9
208.03769	43.7
209.04012	3.6
223.06108	100.0
224.06476	7.9
269.92368	0.7
273.11127	0.7
313.07056	1.3
341.08575	1.5
403.12341	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	403.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01084	0.5
53.07341	0.5
55.01863	0.7
59.01378	19.4
61.98831	12.3
62.89669	0.5
69.45280	2.5
69.45705	1.4
71.01382	5.1
71.21041	0.5
73.02940	2.0
82.97677	0.5
83.01383	1.1
85.02934	3.4
85.43854	0.5
89.02480	1.1
93.46455	0.5
98.20724	0.7
101.02448	4.9
113.02457	2.4
161.04523	1.9
166.60081	0.6
181.12415	0.8
182.07405	1.1
198.06854	6.1
199.07143	0.6
199.13365	0.6
223.13153	0.7
226.06343	63.3
227.06699	5.6
241.08687	100.0
242.09006	9.8
276.69312	0.6
317.19745	3.7
334.76553	0.6
343.17712	1.6
361.18649	3.3
403.19669	16.5
404.20065	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	403.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.5
61.40754	2.3
61.98831	100.0
66.85256	2.1
69.40282	10.7
69.40685	4.4
70.53977	2.1
74.21046	2.2
121.36295	2.1
247.58055	2.4
254.18103	2.2
276.19031	2.8
307.84543	2.5
403.26147	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	404.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.4
61.98832	100.0
62.95242	1.8
69.48077	8.3
69.48504	4.0
80.08322	1.7
80.75658	1.5
106.85154	1.7
128.52722	1.6
162.68021	1.5
175.02715	1.7
183.91473	1.8
240.39810	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	404.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33194	2.1
55.78063	2.1
59.01364	10.7
61.98830	74.5
70.84724	6.6
71.01396	4.1
75.64448	2.2
77.94184	2.0
86.59501	1.9
89.02440	5.9
93.46999	2.1
101.02428	4.1
113.02405	4.7
133.02950	19.8
135.04536	6.8
161.02446	100.0
162.02728	8.3
177.01952	2.7
179.03491	16.8
226.48596	2.6
341.08743	42.7
342.09103	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66896	0.8
59.01380	10.9
61.98831	100.0
71.01387	7.3
71.04476	1.7
80.84616	0.8
83.01389	0.9
85.02972	2.4
89.02437	5.3
101.02419	4.2
102.40940	0.8
106.70126	0.8
113.00125	0.8
113.02458	2.6
117.36653	0.7
119.03504	2.8
123.27805	0.9
133.02959	9.2
135.04514	4.4
139.78206	0.8
158.11858	0.8
161.02440	49.8
161.04608	2.5
162.02776	3.2
175.02438	0.9
177.40498	0.9
178.02324	1.2
179.03499	11.6
203.03572	1.1
219.77676	1.0
282.79407	0.9
341.08752	21.0
342.09106	2.6
405.21487	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	404.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98831	100.0
62.98537	0.4
69.95512	0.3
70.21208	0.7
70.21603	0.6
83.47945	0.3
85.75511	0.4
92.04673	0.3
98.20609	0.5
107.14710	0.4
138.08827	0.3
164.17445	0.4
177.01965	0.4
200.87842	0.4
207.07466	0.3
248.56891	0.4
301.27588	0.4
358.39508	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35384	1.5
55.01880	1.5
57.03452	4.7
58.00599	4.2
58.02974	9.7
59.01379	97.4
60.21952	1.5
61.32128	1.7
61.98829	37.6
69.67335	8.8
71.01383	56.2
71.05019	8.8
72.00914	3.3
72.59310	1.7
72.99316	4.0
73.02967	5.7
74.02477	22.5
78.91889	1.8
82.02998	2.6
83.01387	3.1
83.05004	2.1
85.02957	15.4
86.02467	8.8
86.99094	1.8
87.00880	5.1
87.05644	6.6
87.84646	1.5
88.04044	1.6
89.02442	67.3
90.00181	2.5
93.47384	1.8
95.01378	4.0
97.06544	1.8
99.05646	25.5
101.02447	36.7
101.07249	2.7
102.05611	2.5
109.04078	2.4
111.08176	6.5
112.04049	3.0
113.02448	22.5
118.37373	1.7
119.03500	31.7
125.02465	2.3
125.03558	2.5
125.06072	3.3
127.05189	4.4
128.03543	65.8
131.03493	4.8
131.04532	2.4
135.05650	5.5
141.06729	6.3
143.03551	4.9
143.04617	89.3
144.04990	1.7
145.06212	5.1
146.04626	9.6
149.04611	3.4
149.09778	3.0
151.11354	2.3
153.06699	7.9
160.00725	24.4
161.04570	7.4
163.11339	1.8
166.09837	4.0
167.04576	7.7
167.08281	3.0
167.10686	2.2
171.03966	1.7
177.03363	7.2
179.04597	11.6
179.05748	7.4
179.71129	1.7
181.06250	2.8
181.12300	4.3
185.05632	3.0
197.05701	2.3
207.13902	29.3
209.10057	1.7
210.08836	14.6
225.14963	19.0
242.07898	2.0
243.16032	5.7
254.07870	25.1
255.08247	3.1
272.08878	41.6
273.09171	2.4
288.06671	12.6
306.07651	100.0
307.07993	6.6
387.20273	12.2
405.21304	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
61.98830	100.0
62.98526	0.4
69.38193	3.0
71.01374	1.1
73.02941	1.1
86.83398	0.3
89.02448	1.0
98.19942	0.8
101.02460	0.5
113.02410	0.5
129.10475	0.4
149.02397	0.4
150.03214	1.5
154.99815	0.4
164.07155	0.7
165.05569	1.3
174.72729	0.4
179.03558	0.4
180.06760	1.1
180.10211	0.3
187.45160	0.4
195.06577	0.9
311.10397	1.6
329.11807	0.8
405.17188	0.6
405.21756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1194
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
55.01859	2.5
58.00601	3.1
59.01382	51.5
61.98829	21.3
69.03461	45.9
69.41303	1.6
69.41905	10.5
71.01387	33.6
71.75159	1.5
72.99300	4.0
73.02925	3.1
74.44048	1.4
79.01895	27.4
81.03452	3.3
83.01381	4.1
85.02966	9.5
87.00876	2.4
89.02450	42.4
93.03503	2.1
93.12028	1.4
95.01394	10.7
97.02953	27.9
98.19949	3.1
101.02455	23.1
107.01390	61.7
108.02239	9.7
109.02938	6.1
113.02462	12.2
119.03493	15.6
121.02958	7.0
122.03741	2.1
123.00896	20.0
125.02448	59.8
126.02780	2.2
133.03033	3.1
135.00885	3.3
135.04526	2.6
136.01707	7.2
137.02441	6.2
137.06110	1.9
149.02402	4.4
150.03218	7.3
151.00372	79.3
151.03972	2.5
152.00906	3.7
153.01958	18.9
161.04579	1.8
161.06252	1.4
163.03990	8.7
165.05579	6.5
177.01958	10.7
179.05646	2.1
182.07365	4.1
189.01898	2.2
195.06638	5.9
197.06084	3.7
209.06184	1.7
210.06824	5.4
213.05518	1.7
218.56245	1.8
225.09177	15.0
226.09491	2.1
242.05853	100.0
243.06583	55.4
244.07011	5.1
285.07581	5.8
297.06177	16.0
315.31119	1.7
326.88589	1.5
341.38052	1.6
405.11813	14.7
405.20834	7.2
406.20959	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85687	0.9
58.00603	1.8
59.01386	9.6
61.98831	100.0
62.98530	1.4
69.40628	9.0
71.01380	6.6
72.00894	3.5
73.02940	1.7
85.02935	3.3
87.00883	5.1
87.04079	1.0
89.02454	4.3
98.20725	1.1
101.02458	2.4
106.04288	1.0
110.40367	1.1
113.02453	4.9
119.03516	1.6
123.00793	1.3
125.02422	1.2
137.02396	1.4
147.04527	8.9
149.02478	2.4
150.03279	1.9
151.04025	2.0
161.04585	2.7
164.01128	4.4
164.07159	27.5
165.01920	24.5
165.05569	1.9
177.01917	10.1
179.03500	46.3
180.04277	27.4
192.04272	4.1
194.05859	13.6
195.06625	82.8
196.06938	4.6
207.06674	1.3
208.34059	1.1
210.05211	1.9
220.03574	1.2
224.32173	1.2
224.80907	1.2
225.07672	21.5
244.09134	1.0
357.11868	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	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55974	0.6
57.03444	1.4
59.01381	100.0
60.01714	1.3
61.98834	14.3
69.20618	6.1
71.01380	9.2
72.99326	1.2
73.02954	0.8
75.00883	0.7
83.01398	0.6
83.08562	0.6
85.02963	2.7
87.00895	0.8
89.02449	7.9
101.02464	4.4
103.63241	0.7
111.99143	0.6
113.02479	3.7
115.00381	1.3
119.03513	3.5
121.02964	0.8
122.89452	0.7
134.07416	0.6
135.81290	0.6
139.07721	0.6
139.89047	0.7
148.91090	0.7
149.09734	3.2
153.01964	1.6
153.09245	1.0
161.04593	2.3
167.10765	6.1
168.04311	3.5
179.05724	1.0
183.06612	17.8
184.06946	0.6
224.73312	0.6
225.14986	0.7
243.08821	0.8
243.16068	0.9
247.07584	1.1
318.68002	0.7
369.95709	2.0
381.78644	0.6
384.69833	0.8
405.21658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12858	0.2
57.03445	0.3
59.01381	2.2
61.98820	0.7
70.58108	0.2
71.01382	3.5
71.09743	0.2
73.02942	1.3
81.03467	0.4
83.01392	0.5
85.02964	1.6
89.02432	0.5
93.03444	1.4
95.01385	0.7
99.00879	0.4
101.02455	1.9
106.04290	0.3
108.02168	0.8
109.02979	1.2
111.76952	0.2
113.02437	1.9
119.03484	0.2
120.02188	0.2
121.02959	2.3
122.03768	1.9
125.02444	0.3
135.04532	0.3
136.05305	0.4
136.58614	0.2
137.02405	0.3
143.05070	0.3
149.02367	0.4
151.04027	2.0
153.01912	0.3
158.07327	0.6
159.03012	0.6
161.04562	2.4
183.08095	0.8
185.05919	0.3
186.06839	0.4
199.11415	0.2
201.09245	1.2
204.23766	0.2
227.07135	27.0
228.07623	3.7
243.10248	100.0
244.10593	8.9
345.19284	0.4
405.15741	0.4
416.16367	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01722	1.2
61.41885	1.2
61.98831	77.2
63.88294	1.0
66.01093	1.0
71.01382	9.4
71.19051	2.1
72.99305	2.0
73.02930	3.0
83.01358	1.6
85.02958	3.2
87.00867	10.1
89.02431	5.8
99.00872	2.2
99.04504	2.0
101.02447	5.6
111.00873	1.7
111.96669	1.1
113.02412	4.1
113.13054	1.2
115.03995	4.9
119.03489	1.1
125.02430	1.7
127.04008	5.5
136.01616	1.2
142.89424	1.2
147.04445	1.9
149.02402	1.4
150.03192	2.6
158.35121	1.2
159.03030	2.1
161.04486	1.9
164.07126	2.0
164.34547	1.2
165.05521	4.2
183.06610	1.6
183.10176	2.3
183.28775	1.2
185.08206	2.4
195.06459	1.6
206.08031	1.6
225.11298	3.0
227.07129	4.8
237.11162	1.5
242.09404	1.9
267.07550	1.4
281.09332	2.3
295.07114	1.7
296.07886	1.7
311.10342	9.2
329.11517	2.7
345.15652	3.0
405.12094	2.0
405.16870	1.7
405.21506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
57.03445	5.3
57.40567	0.8
58.00591	4.0
59.01380	100.0
61.98827	2.2
71.01382	63.7
71.05003	6.4
71.10463	2.2
72.99297	3.6
73.02960	4.7
74.02479	1.3
75.00891	1.5
78.78378	1.0
78.91889	2.1
83.01381	4.5
83.03357	1.1
83.05013	1.1
85.02964	11.9
85.26998	0.9
87.00865	4.6
89.02448	74.3
90.02766	2.6
95.01388	5.3
97.06595	2.2
101.02448	39.0
102.05590	0.9
111.08174	5.5
113.01707	2.0
113.02453	25.3
119.03503	34.4
120.03878	1.0
123.08121	1.5
125.02471	1.2
125.06066	2.7
128.03513	5.6
129.03893	1.4
129.10330	1.2
131.03514	3.8
141.09206	1.6
143.03496	7.0
143.04623	4.1
149.04559	3.3
149.09706	2.1
151.11313	1.7
159.03069	1.3
161.04578	9.0
163.11330	1.2
167.10776	1.6
179.05650	13.4
181.12340	3.9
189.12808	1.9
207.13881	28.4
208.14290	2.8
208.22650	1.1
225.14960	18.1
242.05748	1.1
243.15919	7.0
261.39481	1.2
273.09210	1.4
306.07721	2.5
307.07913	3.3
387.20248	13.3
388.20801	1.5
405.21317	51.1
406.21649	7.9
408.11163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2128
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
50.51448	1.0
55.01873	1.8
56.16787	1.0
57.03454	6.3
58.00594	2.9
59.01380	100.0
61.98829	2.4
69.88685	4.0
71.01383	63.1
71.05019	8.5
72.99310	3.3
73.02952	5.2
74.02473	1.6
78.91868	1.5
83.01394	4.0
83.05016	2.0
85.02947	13.0
86.03261	1.0
87.00886	3.3
87.05643	1.2
89.02444	74.0
90.02766	1.1
95.01387	4.3
95.05047	1.4
97.02960	1.6
97.06575	2.2
98.20575	1.3
101.01782	2.3
101.02441	41.7
103.48650	1.0
111.08175	5.0
113.02450	26.6
114.02839	1.4
119.02649	2.3
119.03504	39.5
123.08112	1.5
125.02451	1.7
125.06098	2.9
128.03519	6.4
130.41541	1.1
131.03513	3.0
143.03493	5.9
143.04630	3.5
149.04555	3.5
149.09692	2.0
153.09242	1.4
161.04565	9.9
163.11276	1.9
178.09900	1.1
179.05609	14.1
181.12318	2.8
189.12836	2.5
192.11440	1.9
207.13881	33.5
208.14178	2.5
225.14977	19.9
243.15947	6.2
255.08145	1.5
272.08749	1.8
273.09180	1.7
306.07690	1.8
307.07974	3.0
359.78186	1.1
374.92075	1.1
387.20248	18.1
388.20502	2.7
405.21289	54.4
406.21680	8.7
415.81757	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01890	0.5
57.03442	0.8
58.00606	0.5
59.01382	24.8
60.01711	0.4
61.98829	4.4
69.03452	0.8
71.01384	15.2
71.05006	1.1
72.99307	1.4
73.02949	1.6
73.34280	0.4
83.01388	1.2
85.02959	3.7
87.00858	0.6
89.02448	10.4
95.01387	1.1
99.00907	0.6
101.02449	8.5
107.01379	0.6
113.02458	4.9
115.65860	0.4
119.03506	3.7
123.08147	0.4
125.02493	0.5
125.09730	0.8
136.05606	0.4
143.10728	0.5
151.00412	0.4
187.09758	0.6
225.09280	0.7
225.14989	6.8
229.14986	0.5
242.05827	0.9
243.06656	0.6
243.16016	11.2
244.16333	0.4
311.94327	0.4
387.20261	2.6
405.21301	100.0
406.21616	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	405.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
58.02971	2.2
59.01377	100.0
60.01725	1.2
61.98829	3.7
65.04017	0.7
68.99837	1.0
69.23347	3.5
69.23772	2.6
70.30096	0.7
71.01392	7.4
71.94019	0.8
72.06022	0.7
73.02959	2.6
73.33229	0.6
73.81528	0.6
73.99677	0.8
74.02474	4.6
80.96555	0.6
85.02966	2.7
88.04758	0.7
89.02458	1.3
91.01890	8.0
91.02346	0.8
99.00902	2.9
99.04571	0.8
101.02445	4.6
104.03543	4.0
108.02167	0.7
109.02959	4.2
113.02451	3.0
116.05091	1.5
122.32612	0.7
125.09692	0.7
127.87025	0.6
129.10332	12.3
135.00883	17.2
137.23535	0.8
137.34964	0.7
144.15259	0.7
153.01926	15.6
154.02229	0.8
155.46819	0.7
160.07706	1.7
161.04555	4.3
164.07159	0.7
165.08748	0.7
171.11398	8.1
172.07668	3.9
183.13892	4.7
195.74698	0.7
203.32019	0.7
216.02927	0.7
242.11771	4.1
243.06699	1.9
257.60815	0.7
297.06271	3.1
319.16730	2.0
344.19852	1.2
356.37616	0.8
376.18747	8.2
405.11874	1.0
405.21979	2.4
405.72641	0.9
406.19708	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	405.2284
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
59.01376	6.9
61.89041	1.1
61.98829	6.8
68.99845	2.5
69.67189	1.1
71.01382	35.9
71.56095	2.1
72.99309	3.3
73.02955	2.1
77.36119	1.0
83.01389	21.4
84.02181	2.6
87.00887	9.4
89.45381	1.3
99.00871	5.9
101.02414	1.7
115.00380	24.6
125.02483	2.5
126.01774	1.2
127.00366	10.1
145.01434	100.0
146.01772	4.3
261.22198	1.5
277.21716	16.0
278.22025	2.2
289.21857	9.7
303.23190	2.7
331.22769	2.4
361.23950	2.3
405.22791	36.4
406.23132	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	406.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
61.98831	8.4
63.99246	1.4
71.01387	1.4
71.55909	1.6
72.00906	12.2
85.02971	0.7
89.02452	1.1
91.05565	1.0
99.37120	0.7
101.02444	0.8
101.77612	0.8
103.05513	0.9
116.70647	0.6
129.24704	0.6
143.04597	0.8
147.04527	34.8
148.04866	2.2
164.07164	100.0
165.01837	0.8
165.07523	6.0
180.04065	0.8
195.06528	1.4
196.06981	1.8
201.94679	1.7
241.08340	2.9
272.08832	0.9
298.97083	0.7
343.21860	0.8
363.99921	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1349
Annotation	5,3',4'-Trihydroxybibenzyl 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.63431	0.2
56.76127	0.2
58.02985	0.3
58.18728	0.2
59.01384	5.2
61.98838	1.2
63.99294	0.2
69.65422	0.5
69.65831	0.8
69.98634	0.2
71.01385	3.9
72.99330	0.4
73.02969	0.4
75.00894	0.3
79.05535	0.3
81.03459	18.4
82.03804	0.6
83.01411	0.4
83.05847	0.2
85.02953	0.6
87.00877	6.5
89.02438	0.4
93.03492	0.8
95.46020	0.2
98.19980	0.4
99.00878	0.2
101.02458	0.7
109.02956	0.4
112.98809	0.2
113.02436	0.6
115.00376	11.0
121.02960	5.0
122.03757	4.4
122.26949	0.2
123.04529	100.0
123.91414	0.2
124.01646	0.4
124.04843	3.9
137.02460	1.1
142.99983	0.2
147.04526	0.4
154.02696	0.7
157.01443	0.5
161.04611	0.4
164.07150	1.4
175.02475	27.0
188.07127	0.2
206.08188	1.5
245.08174	67.4
246.08540	5.4
407.13596	4.0
407.18814	0.4
408.09290	0.6
408.13940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42312	1.2
55.01882	1.5
55.57793	1.3
55.97935	1.2
58.00571	1.7
59.01380	100.0
61.98833	15.0
66.97323	1.4
71.01378	25.9
71.56271	1.7
71.56643	1.2
73.02941	8.9
83.01389	5.6
85.02942	8.2
87.00877	3.1
89.02444	19.2
91.05553	2.1
101.02448	27.4
101.74670	1.2
103.04279	1.2
113.02454	10.3
115.00322	1.3
119.03500	7.5
125.02490	1.8
144.78487	1.6
150.03137	1.5
151.03949	1.8
159.03038	2.4
161.04549	13.5
175.02477	2.0
179.05592	4.3
181.05038	1.3
185.11885	2.7
209.08183	9.9
210.08333	1.7
244.04924	1.6
245.13914	1.7
259.07242	2.4
287.10306	5.3
313.08334	5.3
319.90854	1.2
331.09351	3.3
345.19080	2.2
347.17093	42.9
348.17392	4.7
407.11023	2.5
407.14066	1.4
407.18823	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	407.1919
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.01872	1.2
57.03453	1.6
58.00599	4.4
59.01379	100.0
60.01715	1.5
61.98829	3.1
70.68614	1.4
71.01381	50.7
71.09486	0.9
72.97814	0.8
72.99301	4.0
73.02953	10.9
75.00890	1.2
83.01389	3.5
85.02949	15.4
86.00079	1.0
87.00877	7.3
87.04509	1.8
89.02446	58.5
95.01387	2.8
97.02976	0.8
98.20550	1.0
99.00901	1.3
99.04539	1.2
101.02448	35.8
103.04015	7.3
113.02457	22.1
115.04018	3.2
116.99459	1.0
119.02650	1.6
119.03506	28.1
125.02461	0.9
131.03493	6.9
143.03520	13.6
145.05083	2.6
149.04535	1.7
161.04552	5.8
163.06136	13.4
171.10271	5.0
179.05600	12.4
179.08060	1.0
183.44612	0.8
205.07170	15.1
234.18800	1.0
245.13881	1.6
247.08157	2.0
261.13406	2.7
347.17136	1.2
350.08121	0.8
365.18155	2.9
407.19189	26.4
408.19397	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	408.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	1.0
59.01382	11.3
61.98823	1.9
69.03448	0.6
69.43187	2.8
69.43597	0.9
71.01380	13.5
72.99315	0.8
73.02941	1.3
81.03461	3.8
82.03774	0.5
83.01389	0.8
85.02959	1.3
87.00877	23.3
89.02430	0.5
91.05499	0.5
99.00882	0.7
101.02434	0.7
111.00862	0.6
112.98798	1.1
113.02446	1.4
115.00378	43.8
116.00735	1.4
121.02979	1.0
122.03751	0.7
123.04527	16.9
124.04849	9.3
124.05659	0.8
127.00392	0.6
147.04518	1.9
152.21284	0.5
154.26869	0.5
157.01422	1.4
164.07172	4.4
175.02473	100.0
176.02827	3.1
188.07227	0.5
203.02014	4.1
206.08191	6.0
223.06158	1.0
245.08205	7.9
246.08517	14.6
247.08650	1.0
278.86676	0.4
301.23392	0.5
408.09348	1.3
408.14035	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99681	0.9
52.16476	0.8
56.32978	0.8
59.01382	30.5
60.64674	1.0
61.98842	4.3
69.53474	1.8
69.53882	5.2
71.01390	5.7
72.99338	0.9
73.02946	1.2
89.02447	3.9
93.03465	2.7
96.96018	1.0
101.02448	3.5
105.07204	0.9
113.02451	1.9
119.03520	2.0
121.02943	5.5
122.03760	7.4
135.04565	1.2
136.01649	2.1
149.02449	36.3
150.03232	61.3
151.03795	3.9
161.04529	2.0
164.04761	9.0
165.05571	100.0
166.05913	5.4
175.03979	1.0
179.05544	1.0
180.04248	2.6
195.06618	19.0
213.07672	4.3
269.36249	1.0
269.39053	0.9
272.59491	1.0
285.07693	3.2
286.08533	5.7
301.10800	16.6
302.11166	2.0
331.14111	1.2
349.18616	3.0
361.12921	34.8
362.13101	5.1
409.14285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62491	0.8
59.01381	20.0
61.98828	5.5
69.19772	1.3
69.20178	6.4
71.01382	5.4
72.06387	0.7
72.99306	0.9
73.02946	1.2
73.25018	0.7
75.00862	1.2
77.07039	0.6
80.64713	0.7
83.01377	1.0
85.02934	2.1
87.00910	1.7
89.02458	2.8
93.03445	3.1
95.01385	1.2
95.04993	0.8
96.96013	1.1
101.02425	4.3
105.03478	0.7
113.02454	2.5
119.03505	1.1
119.04998	1.3
121.02966	6.7
122.03753	8.5
130.06209	1.1
135.04485	0.8
136.01675	2.2
137.02432	1.0
139.04076	0.9
147.04561	1.6
149.02437	40.2
150.03229	62.8
151.03580	3.7
153.05508	1.0
161.04579	2.1
164.04803	11.8
165.05562	100.0
166.05901	6.7
180.04262	3.7
183.53055	0.7
195.06630	21.6
196.06877	1.3
213.07603	1.1
243.06401	0.7
256.07486	0.8
263.11377	2.3
281.08206	0.9
281.12454	0.7
285.07733	4.9
286.08371	8.2
301.10773	14.4
302.11243	0.8
349.15021	4.7
361.12894	37.7
362.13290	4.7
367.16165	1.2
379.16220	0.9
409.15799	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	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01739	1.6
60.97177	1.4
61.98814	1.7
64.48413	1.3
71.01383	28.0
71.56673	2.3
72.99305	2.3
73.02935	4.4
83.01380	3.7
85.02965	7.0
89.01919	2.3
89.02443	22.9
95.01412	1.6
97.02946	1.4
101.02441	20.5
105.71909	1.4
113.02448	12.3
119.03497	11.4
122.06091	2.2
132.04587	1.5
143.03465	3.7
152.07144	3.8
161.04515	11.9
172.30777	1.3
172.73578	1.3
179.05591	6.6
187.13358	2.9
263.14951	5.3
307.17596	5.3
341.10965	6.1
349.18655	17.2
350.19046	1.8
373.13892	2.9
409.20523	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	409.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92705	0.8
55.01883	4.8
57.03460	4.0
58.00587	3.3
59.01382	68.3
60.01707	1.1
61.98838	4.2
63.59727	0.9
69.03452	1.6
69.33469	6.8
71.01386	56.0
72.01709	1.3
72.99309	3.7
73.02948	24.6
75.00893	0.9
83.01400	11.6
85.02953	31.7
86.00111	2.0
87.00875	4.6
87.04518	0.9
89.01927	1.3
89.02452	20.5
91.11111	0.8
95.01392	5.0
97.02962	2.0
99.00889	8.6
99.08137	1.0
101.02446	56.4
103.04017	4.2
105.95562	0.7
111.00884	2.3
112.01667	0.8
113.02454	24.1
115.04020	1.0
115.08761	0.8
119.03496	8.2
125.02460	2.6
129.01895	1.0
131.03516	1.4
141.09221	1.0
143.03503	4.4
159.03003	4.7
160.42879	0.9
161.04572	25.7
162.04918	1.6
163.06097	1.6
179.05618	3.0
187.13376	1.6
205.07063	0.9
263.14990	100.0
264.15274	7.1
341.10864	2.2
349.18640	8.0
360.29205	0.8
409.09488	1.3
409.20782	39.5
410.21097	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	409.2749
Annotation	Flabellinone
Peak:m/z	Relative Intensity
54.96622	0.7
57.03457	11.7
59.01360	1.2
59.31255	0.8
65.73303	1.0
66.72598	0.9
69.90188	4.1
78.95903	3.9
83.05020	6.7
90.88958	0.9
107.04996	0.9
107.98750	0.8
121.06612	5.0
123.04498	2.0
123.08157	6.7
135.04538	5.0
136.05305	100.0
137.05719	3.1
137.09668	1.0
148.05345	1.5
149.06087	93.0
150.06787	8.9
151.07599	2.8
152.99608	6.0
162.06868	42.1
163.07451	3.2
165.05600	1.1
173.06085	2.7
174.06781	2.0
176.08437	1.0
187.07671	1.3
188.08420	2.5
189.09210	4.7
189.80489	0.9
190.09937	1.0
191.10666	1.8
202.10002	12.0
203.10707	3.9
204.11609	4.7
214.09956	1.0
215.10725	1.4
216.11465	2.6
227.10622	1.1
230.12984	1.4
253.56458	1.0
256.14612	0.9
258.16095	1.9
259.20615	1.1
272.17801	1.9
273.18530	2.4
284.18005	1.1
299.19894	1.3
311.16547	1.2
325.18423	2.2
339.23303	2.5
351.23215	2.6
367.26315	3.9
391.26367	2.4
394.25095	8.8
395.25409	2.2
409.27478	79.9
410.27808	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	410.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29935	0.9
59.01383	16.2
61.98830	100.0
65.61556	1.0
71.01381	5.8
72.20894	1.0
72.84132	1.0
73.02937	3.6
75.10500	1.0
85.02958	1.0
85.21566	0.9
89.02442	2.4
93.68430	1.0
98.19853	2.5
101.02444	5.1
102.71268	1.3
113.02435	2.7
136.96579	1.0
149.04436	1.2
161.04550	2.2
347.22180	1.2
350.18784	2.4
407.65811	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76242	1.0
55.01868	2.3
57.03453	5.9
59.01379	25.7
60.01692	1.2
61.98831	100.0
64.46811	0.9
67.01895	5.2
69.38525	8.0
71.01374	6.7
72.01701	1.3
73.02950	2.0
75.18904	1.0
83.01397	15.1
85.02958	32.6
89.02444	3.6
98.19897	2.2
99.00905	1.0
99.04514	2.7
101.02438	4.0
109.02942	1.4
111.00885	45.1
113.02454	2.9
117.03461	3.8
119.03509	2.1
119.05021	11.5
125.72546	1.0
127.04032	1.9
129.01936	10.3
130.33545	1.2
143.05074	1.3
145.02968	13.4
161.04599	2.4
163.03990	11.0
187.02461	3.3
205.03490	4.9
213.05650	1.3
265.05707	5.5
270.99533	1.0
334.88531	1.0
349.18692	1.4
350.19019	4.5
430.38855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76242	1.0
55.01868	2.3
57.03453	5.9
59.01379	25.7
60.01692	1.2
61.98831	100.0
64.46811	0.9
67.01895	5.2
69.38525	8.0
71.01374	6.7
72.01701	1.3
73.02950	2.0
75.18904	1.0
83.01397	15.1
85.02958	32.6
89.02444	3.6
98.19897	2.2
99.00905	1.0
99.04514	2.7
101.02438	4.0
109.02942	1.4
111.00885	45.1
113.02454	2.9
117.03461	3.8
119.03509	2.1
119.05021	11.5
125.72546	1.0
127.04032	1.9
129.01936	10.3
130.33545	1.2
143.05074	1.3
145.02968	13.4
161.04599	2.4
163.03990	11.0
187.02461	3.3
205.03490	4.9
213.05650	1.3
265.05707	5.5
270.99533	1.0
334.88531	1.0
349.18692	1.4
350.19019	4.5
430.38855	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.0
56.19890	2.1
57.03444	14.8
59.01374	17.7
67.01884	6.8
69.30928	18.3
71.01366	4.5
83.01385	31.5
84.02150	2.3
85.02953	90.5
87.11710	1.8
98.20634	5.3
99.04479	4.7
100.41174	2.0
101.02439	4.2
105.46996	2.0
111.00882	100.0
111.01664	4.7
112.01198	3.0
117.03469	8.7
119.05019	21.4
127.04031	9.7
129.01947	36.1
145.02946	26.0
147.17377	1.9
151.92726	2.1
158.22394	2.2
161.04549	1.9
163.04015	19.7
187.02486	7.9
203.05577	5.1
205.03528	25.5
223.04636	3.0
231.06656	3.0
247.04652	2.3
265.05646	29.6
266.06128	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	411.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.1
55.86708	1.1
57.03234	1.2
57.03455	11.4
59.01382	14.4
61.98820	3.4
67.01898	11.0
69.65548	5.2
69.65954	2.4
71.01378	3.2
72.99286	1.2
74.14836	1.1
81.03432	1.6
83.01386	31.1
84.01686	1.3
84.02153	1.7
85.02953	66.5
98.20610	2.4
99.04533	4.0
99.82643	1.5
101.02453	1.9
111.00885	100.0
112.01202	2.5
117.03479	9.0
119.05042	19.9
120.05387	1.3
127.04020	6.4
129.01939	20.8
137.69928	1.4
138.13054	1.3
143.03502	2.2
145.02963	26.3
161.04512	3.7
163.04010	17.5
171.02988	2.8
187.02513	7.9
187.07610	3.3
203.05583	2.6
205.03505	12.9
231.06549	2.0
265.05569	9.1
265.64499	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.3
57.03452	14.4
59.01381	19.6
67.01878	7.8
69.03469	2.1
70.23784	5.6
71.01349	3.5
74.05765	1.8
74.23423	1.8
78.42899	1.8
81.03477	1.9
83.01388	34.6
84.02154	3.6
85.02950	93.5
86.03287	2.8
99.04505	2.2
101.02427	3.4
111.00882	100.0
112.01195	2.2
117.03450	8.5
119.05028	19.9
127.03990	7.3
129.01947	37.2
145.02956	27.7
161.04573	4.2
163.03996	17.3
187.02441	7.5
187.07626	2.3
203.05548	4.4
203.07222	2.2
205.03519	26.4
241.25229	2.1
247.04567	2.7
248.04985	2.6
251.04271	1.7
265.05640	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1062
Annotation	Ziprasidone
Peak:m/z	Relative Intensity
56.14487	5.1
59.01374	20.7
59.20304	4.9
66.26434	4.5
68.47644	4.3
69.64938	34.2
71.01376	30.4
73.02953	7.4
81.33221	4.7
87.00864	10.7
88.98779	6.4
89.02447	19.2
94.95774	6.2
99.00889	20.1
106.95756	4.7
111.00875	6.3
112.98801	18.5
115.00360	11.4
129.01932	8.5
142.99838	13.7
143.01599	6.4
145.01404	8.1
146.95190	5.3
149.02417	7.8
150.03217	15.3
153.00407	23.7
165.05559	31.6
173.00943	13.5
174.94688	18.2
175.02504	20.4
191.03743	5.2
195.06653	12.8
215.00290	6.2
220.09088	4.5
234.96829	25.1
263.05829	10.7
286.98166	7.4
287.98300	4.8
296.41824	4.8
327.10767	16.0
337.07654	17.1
357.12030	8.0
410.98282	6.5
411.09552	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	411.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.5
57.03435	0.9
58.00592	1.1
59.01378	100.0
60.01719	0.9
61.98846	0.7
64.97601	0.4
69.03471	0.6
69.18206	0.4
69.34360	1.3
69.34782	2.1
71.01379	21.7
72.01726	0.6
72.99315	0.9
73.02948	24.8
83.01390	5.5
85.02956	4.0
89.02445	7.7
95.01397	1.1
97.02969	0.6
99.00851	0.5
99.04575	0.6
101.02444	22.3
113.02448	9.7
119.03465	2.6
121.06607	0.5
125.02483	1.1
131.03516	2.0
134.00011	0.4
137.09708	7.6
138.10013	0.5
143.03561	1.1
149.04527	0.9
154.94356	0.4
155.03526	0.7
161.04538	3.5
179.05640	0.9
189.12921	1.4
273.10718	0.4
419.67346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36591	0.7
56.69120	0.6
58.00609	0.7
59.01378	100.0
60.01714	1.0
61.98829	2.2
71.01382	14.3
71.56773	1.0
72.99317	1.3
73.02941	12.1
77.66519	0.6
83.01386	4.1
85.02956	3.8
87.00890	1.1
89.02439	5.4
95.01373	1.0
101.02441	13.6
106.06627	1.9
113.02434	7.3
119.03485	1.8
121.06592	0.8
125.02416	1.0
131.03517	1.5
131.60995	0.6
132.03018	0.7
137.09744	4.7
143.03462	1.0
143.32578	0.6
147.95604	0.6
149.04532	0.7
150.05640	2.4
153.21091	0.8
161.04581	2.8
411.20279	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.1
62.17347	0.5
71.01366	1.0
71.56107	0.7
95.88346	0.5
114.86455	0.6
117.01939	0.9
121.10194	0.6
135.02969	1.5
147.39641	0.6
167.10786	1.0
171.10262	2.5
179.14423	0.7
195.13919	8.8
196.14626	0.9
205.12468	0.7
223.13388	7.7
224.13802	0.6
228.13841	0.8
256.13165	1.3
275.20123	8.2
276.20355	0.7
293.21225	100.0
294.21548	11.8
381.57080	0.6
390.31598	0.6
411.23846	7.0
412.24203	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01706	1.6
60.76192	1.5
63.22614	1.7
69.23381	1.5
69.31332	4.7
69.31757	11.2
76.43587	1.7
77.80064	1.7
99.90635	1.8
106.77108	1.7
114.18411	2.3
228.52495	1.7
269.35645	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42797	5.4
53.22345	4.9
58.56426	4.7
59.01111	6.5
59.01379	100.0
70.87605	15.8
96.01185	4.8
190.66698	5.1
247.22688	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	412.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53083	9.6
59.01379	15.0
61.98824	11.5
69.26315	92.1
79.68224	9.9
84.11420	9.8
92.10892	11.3
98.30009	10.1
137.91870	9.5
151.04001	100.0
168.08479	9.1
168.26672	10.1
174.97211	9.0
188.74329	12.2
225.89996	10.8
231.14531	9.7
349.10822	23.8
358.49124	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	412.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39928	0.8
57.03426	1.2
58.02969	4.2
59.01374	9.9
61.98830	44.8
70.02979	1.1
71.01378	4.1
71.55874	1.6
72.00928	3.0
72.99345	1.0
81.03452	0.9
83.01383	5.8
84.01699	0.9
85.02940	5.5
87.00888	2.2
89.02427	2.9
91.05542	2.7
95.01398	1.6
96.00918	13.7
97.01694	3.9
97.02943	0.9
101.02461	1.7
111.00899	7.1
112.01209	2.1
113.02457	2.9
118.06625	3.6
119.03448	1.7
119.05012	1.9
124.04041	2.9
125.02444	2.8
127.04023	1.1
129.01976	1.3
144.08255	1.2
145.02977	2.8
145.06587	5.2
146.06155	1.2
147.03345	1.7
147.04529	29.2
148.04861	1.6
157.06628	1.0
163.04047	1.3
163.06091	1.1
164.07166	55.0
164.08372	2.7
165.07494	3.3
186.09227	1.4
188.07161	100.0
189.07510	6.4
190.05096	31.7
191.05365	1.8
200.91887	0.9
206.08206	28.2
207.08551	2.5
230.08231	3.0
260.09329	2.7
274.07205	57.2
275.07559	4.8
300.62344	1.0
304.08289	8.5
316.08386	1.7
352.10291	2.9
412.12537	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	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98293	1.0
61.98830	100.0
69.59560	5.2
69.59966	2.0
76.44217	1.0
84.66548	1.0
108.12617	0.9
128.08081	1.1
147.04504	1.9
164.07257	1.2
165.67584	1.2
167.84747	1.0
170.53111	1.3
188.07245	2.6
209.70778	1.0
274.07144	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	412.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03455	1.2
58.02972	0.7
58.52724	0.5
59.01379	5.4
61.98831	100.0
67.01897	1.7
71.01383	1.9
80.37393	0.5
83.01388	4.2
84.01722	0.7
85.02950	7.9
86.03304	2.0
87.00867	0.8
89.02434	3.2
96.00930	2.0
101.02465	1.7
110.14128	0.6
111.00881	11.1
112.01231	2.8
113.02470	1.5
117.03442	1.0
119.05061	1.4
120.05438	0.7
125.02464	0.9
127.04102	0.9
129.01926	2.5
145.02982	2.8
145.06624	0.6
146.03290	2.4
147.04562	3.9
161.04485	0.6
163.04070	1.9
164.04410	1.1
164.07178	9.1
164.08458	0.7
188.07153	15.3
189.07507	1.0
190.05037	3.5
205.03484	0.9
206.08206	4.2
208.91852	0.6
215.12921	1.1
230.08208	0.6
265.05655	1.0
274.07199	7.6
293.21985	0.6
304.08347	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.63541	1.0
70.87782	2.8
72.10097	1.1
134.50371	1.1
138.50340	1.1
177.62456	1.2
178.58052	1.1
206.74600	1.4
263.89581	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.3
61.98828	100.0
73.61895	0.8
78.22338	0.7
98.20670	1.3
217.10785	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.98832	21.6
63.13863	0.2
65.28761	0.2
69.39407	0.3
69.39810	1.2
71.01384	0.4
78.23548	0.2
85.02937	0.3
89.02451	0.4
101.02472	0.2
103.01892	0.3
117.03466	16.1
119.05062	0.2
130.08685	0.2
131.01387	3.3
137.50510	0.2
145.02928	0.3
161.02391	0.2
163.04016	1.5
173.02434	7.3
175.00366	11.2
187.47897	0.2
193.01482	0.2
193.06537	0.5
209.06078	0.2
220.05313	0.3
221.06068	0.5
237.05550	0.5
237.61414	0.2
248.34984	0.2
249.05550	1.0
251.03323	0.2
265.05035	0.8
269.04504	0.3
293.04556	100.0
323.05508	0.2
335.05634	0.9
399.69794	0.2
413.08771	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	412.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01558	0.6
59.01383	10.9
61.98832	100.0
71.01379	3.0
71.22934	0.6
71.56123	0.8
71.56533	0.9
80.11158	0.7
83.01340	0.6
85.02959	0.7
89.02448	1.5
101.02424	1.2
113.02419	1.0
117.03470	0.9
119.03529	0.9
135.04480	0.7
219.11951	0.7
293.04581	1.0
306.36853	0.7
317.46225	0.8
413.08698	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	413.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.7
61.83959	0.1
61.98829	1.9
62.70877	0.1
65.00324	0.1
71.01370	0.3
71.56503	0.1
79.01890	0.1
85.02933	0.1
86.02628	0.1
86.14761	0.1
89.02450	0.3
94.01016	0.1
101.02460	0.2
103.01891	0.6
113.02436	0.2
117.03461	17.4
118.03802	0.8
119.01458	0.1
119.03487	0.2
131.01387	3.7
132.01781	0.1
133.02876	0.1
145.02927	0.3
147.00967	0.1
147.04712	0.1
161.02422	0.3
163.04015	1.5
164.04298	0.1
171.04466	0.1
172.01651	0.1
173.02434	8.1
174.02785	0.5
175.00360	12.0
176.00761	0.6
179.41002	0.1
185.02397	0.2
189.01880	0.1
193.01469	0.1
193.06543	0.6
195.04507	0.2
209.05952	0.2
220.05276	0.3
221.06079	0.7
225.05602	0.1
237.05551	0.6
248.04726	0.3
249.05542	1.1
250.02666	0.1
250.06096	0.2
251.03484	0.4
264.04178	0.3
265.05060	0.9
269.04523	0.3
275.03510	0.2
281.04550	0.2
292.03876	0.3
293.04544	100.0
294.04889	10.8
307.06052	0.2
311.05640	0.2
323.05493	0.3
335.05643	0.8
413.08752	27.5
414.09094	3.8
431.86969	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	413.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20963	0.4
59.01373	6.7
61.98831	5.8
64.83493	0.4
68.04803	0.4
71.01372	1.9
71.42978	0.4
71.56416	0.8
73.02950	0.4
73.04070	3.1
81.35034	0.4
83.23942	0.4
85.02974	0.4
87.05654	0.6
89.02447	1.5
93.03461	1.4
95.01431	0.6
97.04067	0.6
97.91743	0.4
98.02525	0.5
101.02445	1.1
106.43522	0.5
109.02978	0.5
113.02428	1.0
115.05134	8.1
117.03447	5.5
119.03521	0.7
119.05042	0.7
122.73582	0.5
126.06715	1.2
130.08734	17.8
131.09091	0.5
133.02913	0.5
135.04472	1.1
137.02510	0.5
144.07793	1.0
147.04512	0.7
149.06004	0.6
151.04041	0.6
161.02425	2.1
163.04062	0.7
168.07829	1.1
173.02365	0.6
175.00333	1.5
175.03999	2.0
177.01907	1.4
177.05573	0.7
179.03477	1.9
183.11356	0.7
186.08850	0.6
187.03940	0.7
189.05533	0.8
191.03522	1.1
195.10143	0.6
197.05942	0.5
199.18141	2.5
203.03497	0.6
205.05074	1.1
215.03531	0.6
217.05020	0.6
231.72586	0.4
233.04555	2.3
243.17033	0.8
251.05537	1.1
253.05202	0.6
254.05817	1.0
267.06570	0.7
268.07346	0.6
269.04544	1.0
270.21863	6.2
275.05496	1.4
281.04550	1.5
282.05203	3.1
283.06107	14.9
284.06451	1.4
293.04529	11.0
293.07758	0.7
294.04947	1.3
295.06088	9.3
296.06668	3.0
297.07626	5.7
298.07928	0.6
307.06039	4.2
308.06778	1.1
309.07681	4.1
311.05716	0.6
314.04300	1.5
321.04102	0.7
321.07614	1.0
323.05661	2.5
324.06128	0.5
325.07114	3.1
326.07822	0.5
327.24173	1.3
328.05939	4.1
329.06317	0.8
335.05594	1.6
336.06351	0.5
337.07257	5.7
338.07559	0.6
340.05994	0.6
341.06638	1.9
349.07132	0.8
353.06613	3.6
354.07388	1.0
355.08087	3.4
365.06677	0.6
377.06458	1.0
383.07782	0.7
386.06445	1.9
395.07706	8.5
396.07993	1.3
411.07190	1.2
413.08752	100.0
413.23938	22.5
414.09091	15.2
414.24133	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	413.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.0
59.01369	1.9
59.07027	0.6
61.98846	3.5
71.01362	2.1
71.04997	0.7
71.56226	0.7
81.03457	13.8
83.01392	3.4
85.02948	2.0
89.02464	1.2
93.03456	1.2
95.01386	0.7
95.05029	8.4
97.02930	5.0
98.20599	2.0
99.04517	12.0
110.51404	0.7
111.00858	1.0
111.04477	0.9
113.02448	0.7
114.05573	0.7
114.98689	0.7
119.05069	0.9
121.02963	1.0
123.00844	0.6
123.04527	9.3
125.02444	36.7
126.02816	1.8
127.05171	0.9
128.03555	2.0
135.04488	1.2
137.02440	6.0
137.06129	3.2
138.03204	0.8
139.04025	5.1
145.06171	2.2
147.04530	0.9
149.02400	1.4
149.06044	0.7
151.03996	1.5
153.05519	0.7
163.04033	2.4
165.01834	0.8
165.05597	2.2
167.03491	100.0
168.03839	5.6
178.06372	1.2
179.03481	4.7
179.07172	0.8
191.03482	1.6
193.01404	2.4
197.04544	22.7
198.04930	0.8
203.03749	0.7
209.04541	11.8
221.04565	4.4
231.72278	0.8
235.02441	7.8
236.06886	4.4
239.05568	3.9
251.05586	1.3
251.09201	9.5
252.09529	1.0
265.03516	2.9
269.06595	1.9
276.32370	0.7
287.07751	12.9
288.07993	0.9
293.06699	16.1
294.06992	1.8
305.06842	1.3
323.07568	3.4
355.06696	5.6
356.06973	0.9
395.09579	1.0
413.10919	5.1
413.20227	1.8
414.23895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62207	4.5
59.01377	10.1
60.99305	10.9
61.98831	32.2
70.31413	12.6
71.01380	11.6
83.01397	4.6
85.02953	6.1
87.00864	8.7
88.98807	100.0
89.02451	56.9
95.05027	4.9
96.96006	4.8
98.20521	6.0
99.04501	6.5
101.02448	8.1
114.03192	3.9
114.67873	4.2
123.04503	12.2
123.78346	4.7
123.94033	4.1
125.02466	9.3
132.53520	4.1
137.02440	4.7
148.90958	9.4
159.20296	4.1
161.08163	19.5
163.03952	7.0
167.03506	20.7
191.07167	5.3
197.04570	7.8
268.95236	8.0
287.07593	5.1
293.06299	4.7
413.11066	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.6
57.03450	92.4
58.03793	2.2
59.01381	100.0
59.17336	1.2
61.98830	16.8
71.01382	22.4
71.56900	1.7
73.02958	7.1
83.01396	4.0
83.05031	1.8
85.02960	10.4
87.00890	4.8
88.49740	1.2
89.02443	7.3
99.00898	2.4
99.04525	75.9
101.02448	27.9
113.02442	9.2
119.03526	3.4
125.02446	33.1
125.03330	2.8
143.03474	2.5
156.79018	1.4
161.04546	6.6
183.17686	1.5
207.05066	1.9
217.16011	1.4
266.05850	2.0
269.10309	14.4
281.08276	2.1
300.57449	1.4
341.10294	3.2
413.14243	2.8
413.21805	8.4
414.22467	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03795	3.0
59.01379	95.2
64.14471	2.9
68.28776	2.9
71.01382	13.6
71.04617	6.0
73.02953	7.2
83.01365	4.9
85.02946	8.4
87.40776	2.6
89.02432	4.8
93.12370	2.9
99.04517	92.5
101.02450	26.1
113.02441	8.1
125.02437	33.4
143.03517	3.1
161.04517	6.2
185.01778	3.4
260.90836	2.8
269.10413	15.0
413.14066	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	413.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.1
61.98847	0.4
69.58865	0.9
69.59270	1.7
71.01400	0.5
74.39169	0.4
76.31323	0.4
78.95905	5.9
95.38070	0.4
96.96977	0.9
99.26999	0.4
112.98798	0.4
119.40057	0.5
120.94700	0.4
121.59656	0.4
152.99583	28.3
196.73399	0.4
221.87044	0.4
233.22639	0.5
258.60535	0.5
277.21704	100.0
278.22040	12.7
413.20947	7.0
414.21191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69706	0.5
59.01379	100.0
60.01701	1.4
71.01382	5.5
73.02940	1.4
83.01426	0.7
85.02962	1.6
89.02450	4.3
92.23821	0.6
98.19863	1.3
99.00905	0.7
101.02448	3.0
113.02498	2.1
119.03523	1.2
132.78473	0.5
161.04613	1.9
221.98320	0.5
338.97769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03442	0.9
59.01380	100.0
60.01708	1.1
66.08662	0.3
68.33422	0.3
69.21457	3.3
71.01388	9.2
71.01772	0.5
73.02939	1.9
83.01394	1.7
84.35674	0.3
85.02945	4.3
87.00883	0.6
88.68651	0.3
89.02438	2.3
95.01388	0.7
98.19884	0.5
99.00880	1.0
101.02450	6.6
101.03095	0.5
113.02448	3.9
119.03522	0.7
143.03482	0.4
146.14977	0.3
159.03049	0.8
161.04547	3.3
187.02513	0.3
209.15527	1.4
353.19531	1.7
371.20715	9.3
371.85446	0.3
372.21228	1.2
388.01474	0.3
413.08777	0.8
413.22012	1.0
430.53357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Tentoxin
Peak:m/z	Relative Intensity
50.78502	0.7
55.01862	2.7
57.03437	2.6
59.01379	37.1
61.98834	1.3
65.14738	0.8
69.03468	1.2
70.02048	1.8
70.02438	2.1
71.01384	31.6
72.99310	2.1
73.02949	10.5
75.00890	1.6
83.01398	6.3
85.02953	15.6
87.00849	1.9
89.02441	6.7
95.01398	3.1
97.02965	0.9
99.00883	4.3
99.04506	2.6
101.02445	16.6
113.02453	12.3
119.03505	2.9
128.08752	0.9
129.01915	2.0
134.99556	0.9
136.22394	0.8
152.69812	0.8
161.04515	2.9
235.17026	11.3
236.17485	1.5
251.16513	7.3
252.16785	1.0
400.63025	0.9
413.21783	100.0
414.22137	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	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03442	0.9
59.01380	100.0
60.01708	1.1
66.08662	0.3
68.33422	0.3
69.21457	3.3
71.01388	9.2
71.01772	0.5
73.02939	1.9
83.01394	1.7
84.35674	0.3
85.02945	4.3
87.00883	0.6
88.68651	0.3
89.02438	2.3
95.01388	0.7
98.19884	0.5
99.00880	1.0
101.02450	6.6
101.03095	0.5
113.02448	3.9
119.03522	0.7
143.03482	0.4
146.14977	0.3
159.03049	0.8
161.04547	3.3
187.02513	0.3
209.15527	1.4
353.19531	1.7
371.20715	9.3
371.85446	0.3
372.21228	1.2
388.01474	0.3
413.08777	0.8
413.22012	1.0
430.53357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01381	71.5
60.01712	0.9
61.98820	2.8
69.03460	0.6
71.01380	4.6
72.99385	0.5
73.02957	1.3
75.00899	0.4
83.01391	0.7
85.02965	1.7
87.05654	0.6
89.02462	1.7
98.19910	1.0
99.92542	0.4
101.02443	1.6
103.01886	1.0
113.02454	1.6
117.03461	13.0
118.03815	0.7
119.03521	0.5
121.02993	0.5
123.78168	0.5
125.02475	0.5
129.06709	0.7
130.08725	1.5
131.01390	5.1
161.04579	1.4
163.03954	1.1
165.09604	0.4
167.76253	0.4
167.99368	0.4
173.02419	6.0
175.00365	14.2
176.00676	0.7
193.06590	0.5
228.04128	0.4
237.05571	0.7
243.17282	0.5
249.05280	0.9
265.05182	1.0
293.04559	100.0
294.04889	10.9
335.05627	1.5
356.17053	0.4
413.08755	21.5
413.23856	1.9
414.09167	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	413.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55202	1.7
59.01384	15.5
66.91351	1.8
67.01888	3.5
71.01389	14.4
72.99300	2.5
75.53147	1.7
83.01370	3.6
85.02954	40.9
87.00881	44.0
87.65402	1.5
112.98826	3.0
113.02450	2.3
115.00367	43.2
125.97736	1.9
129.01982	7.5
157.01430	53.6
175.02496	20.6
189.83823	1.6
219.38370	1.6
237.22307	1.9
255.23294	100.0
256.23645	9.8
270.55310	1.6
413.25461	51.1
413.30856	3.2
414.25677	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
67.66434	4.2
70.06025	14.7
70.06361	6.3
71.87740	3.8
81.47070	3.5
83.95230	4.4
98.20575	4.0
101.48121	4.2
155.24953	3.8
196.95000	4.2
207.56209	4.3
302.65421	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34232	5.0
53.72503	5.7
59.01378	100.0
69.84796	30.3
75.93774	5.5
92.20204	5.9
96.83932	5.2
97.96283	5.7
98.20615	5.8
142.95731	5.9
150.72583	6.3
156.50722	7.2
206.20352	5.9
348.29938	5.7
378.19794	5.7
378.82825	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	415.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16347	2.1
57.03431	4.3
59.01372	9.6
60.99310	12.5
61.98812	9.1
71.01375	8.2
73.57294	2.3
83.01389	10.8
88.98808	100.0
89.02449	5.7
96.32816	2.5
98.19913	4.9
101.02425	9.5
108.02142	3.1
111.30259	2.3
113.02480	2.3
118.40576	2.4
119.76148	2.8
123.04504	4.7
125.02451	62.7
126.02787	3.3
127.03995	10.6
135.29219	2.3
139.91901	2.3
145.02933	8.4
146.03705	8.2
149.02399	7.6
152.01135	3.0
161.04620	2.7
161.06036	2.6
164.04694	8.5
167.03470	7.2
179.07120	16.5
191.03468	5.8
222.91586	3.1
228.67206	2.5
235.06065	5.8
253.07190	3.1
325.09564	3.9
353.08725	4.1
415.12320	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	415.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91219	0.2
57.03443	0.4
59.01377	12.5
61.98839	1.5
65.00320	0.3
70.28862	0.6
71.01378	4.7
71.04999	0.2
72.99308	0.4
73.02947	0.8
75.02408	0.4
79.01932	0.2
83.01379	0.5
85.02940	1.6
87.00862	0.5
89.02439	2.8
91.01902	0.5
93.03455	16.7
94.03800	0.6
95.01394	0.6
95.92336	0.2
99.00873	0.4
101.02448	2.9
103.01204	0.3
103.01893	6.5
105.03464	0.3
107.01390	0.2
113.02460	2.0
117.03486	0.5
119.05022	93.2
120.05360	4.2
121.02958	0.3
123.04550	0.4
123.08170	0.3
131.01385	27.5
132.01694	1.4
137.02435	0.2
137.34473	0.2
143.03523	0.3
145.02953	1.8
147.00938	0.4
149.02441	1.3
151.00452	0.2
159.02953	0.3
161.02516	0.8
161.04547	1.4
167.03474	0.5
173.02441	0.6
173.13365	0.5
175.00356	85.9
176.00696	5.0
187.03989	0.6
188.01070	0.3
189.01918	4.2
190.02174	0.4
191.03490	0.2
193.01410	1.6
201.01907	2.0
217.01381	1.9
218.64290	0.2
231.03094	0.3
235.13503	0.4
253.05048	0.2
277.04956	0.4
289.07581	0.2
295.06085	100.0
296.06424	10.9
313.07187	0.2
337.07114	2.6
338.07629	0.4
415.10416	2.2
415.19144	1.6
415.23059	0.3
415.24393	0.3
416.19901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03446	4.3
57.98746	0.7
58.00595	1.3
58.51713	0.6
59.01096	1.3
59.01377	14.0
61.98806	0.8
68.99817	1.3
69.03463	1.1
71.01381	10.4
71.56784	1.5
72.99310	1.8
73.02934	1.9
83.01402	5.1
85.02948	10.2
87.00878	37.2
89.02443	7.2
91.05505	4.0
97.02963	1.1
99.00883	7.3
101.02455	2.1
108.02170	1.2
109.02910	0.8
111.00897	1.0
113.02452	1.8
115.04015	3.2
117.07117	1.1
123.04531	7.2
129.01945	18.0
130.02203	0.9
130.08687	0.7
133.06589	2.4
141.01958	0.8
147.05989	0.7
149.67484	0.8
152.01198	0.7
153.05577	9.4
159.03027	4.5
161.04573	0.9
161.06068	2.9
163.04044	3.3
165.05525	0.8
209.06659	100.0
210.07019	5.2
223.06105	7.0
251.05458	0.7
251.07805	2.5
269.09985	1.0
324.02670	0.7
415.12201	4.8
415.21133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49278	1.2
57.03439	5.7
59.01376	11.2
61.98821	4.7
68.99809	2.4
69.03447	2.1
71.01130	1.0
71.01395	10.8
71.09647	3.0
71.10007	1.6
72.99312	2.6
73.02948	6.3
75.00896	1.3
81.03458	12.6
83.01392	6.2
85.02933	6.2
87.00877	45.2
87.64465	1.2
88.04045	2.6
89.02451	4.2
93.03445	1.3
95.01396	1.8
95.05020	5.4
97.02946	6.9
99.00837	1.7
99.04520	17.0
101.02448	8.1
108.02190	2.8
109.02995	6.3
111.00880	7.2
111.04527	1.5
115.00363	3.9
123.04518	4.5
125.02452	41.6
126.02833	1.2
127.04010	4.3
128.14496	1.2
134.03668	2.0
137.02437	5.8
137.03403	1.3
139.04022	4.9
146.03699	3.7
151.04036	3.0
153.05536	1.6
157.38515	1.4
161.04584	2.4
163.03874	1.4
164.04782	5.4
165.01874	1.6
165.05511	1.9
167.03490	100.0
168.03841	5.8
175.03967	1.9
177.01886	1.5
177.05545	1.8
177.66997	1.3
178.02711	8.4
179.03433	5.2
179.07137	20.1
180.07506	1.7
186.03287	1.8
190.02917	1.3
191.03485	2.5
191.05551	2.0
192.04155	2.9
193.05055	19.6
197.04544	25.4
198.04916	1.7
205.05103	2.5
207.06580	11.9
208.07097	1.6
209.04507	1.9
216.07954	1.8
221.04636	1.9
222.05168	1.9
223.09741	23.9
233.04648	3.1
236.06912	3.4
247.06062	3.0
249.04019	5.3
260.06955	2.1
264.06335	17.0
265.06784	1.5
269.06561	1.7
275.09122	1.9
279.08722	71.3
280.09036	5.9
281.19867	2.7
287.07770	6.4
295.08188	16.8
296.08575	2.7
299.20859	3.0
325.09311	4.8
339.10760	14.8
340.11508	1.6
397.11459	2.5
415.12405	55.2
415.21954	9.0
416.12552	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	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32310	0.5
54.13710	0.4
55.01870	0.8
57.03449	3.6
59.01381	4.8
61.98838	3.2
65.22602	0.6
67.01900	0.6
69.70041	3.2
71.01380	4.1
71.05025	0.9
73.02937	1.4
81.03459	14.1
83.01383	4.6
85.02973	1.1
87.00864	0.8
89.02432	2.6
93.03466	1.0
95.01398	0.9
95.05026	7.0
97.02925	3.7
99.04517	13.0
101.02432	2.3
101.03013	0.5
103.70141	0.5
105.03465	0.7
108.02181	1.6
109.02970	1.3
111.04507	1.8
113.02451	1.1
119.03517	1.1
123.04527	7.0
124.01645	0.6
125.02451	42.0
126.02782	1.9
127.04015	4.9
135.04550	0.7
137.02434	6.2
139.03995	4.1
146.03764	0.8
149.02510	0.9
151.04024	0.9
151.36362	0.5
152.01158	0.6
161.02478	0.6
163.03954	0.8
164.01192	0.6
164.04779	1.0
167.03493	100.0
168.03835	4.6
178.02690	2.8
179.03508	3.1
179.07118	2.0
191.03479	0.8
193.05067	4.9
197.04544	26.5
198.04858	1.0
205.05049	1.2
209.04630	1.7
233.04507	1.5
239.05708	0.6
251.05663	0.6
269.06665	1.9
279.08542	0.7
281.19748	0.6
287.07748	8.6
288.08093	0.6
295.08215	17.1
296.08405	1.8
325.09329	5.1
415.12375	5.1
415.16757	0.6
415.22092	0.7
432.48932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
57.03444	2.8
58.00583	5.6
58.36496	1.1
58.92079	1.1
59.01379	100.0
60.01699	1.4
69.03446	2.5
71.01380	81.0
71.55534	1.7
71.55901	1.2
72.99299	5.0
73.02950	10.4
75.00867	1.9
81.03444	2.5
83.01381	6.9
85.02939	19.9
87.00877	14.2
89.02444	82.1
90.02776	1.7
95.01387	4.6
97.02940	6.5
99.00880	5.4
101.02446	63.9
111.00896	1.2
113.02449	30.5
116.97967	1.1
119.02657	1.7
119.03499	26.4
125.02438	14.4
131.03503	5.0
141.01910	1.9
143.03497	11.2
149.04555	3.1
157.05481	1.1
161.04555	13.8
164.82600	1.0
179.04111	2.4
179.05600	29.7
185.04480	1.9
221.06644	7.6
235.08218	15.2
253.09288	8.6
263.07700	5.3
287.07681	2.7
305.08762	3.0
371.29544	1.7
415.14569	96.4
415.28162	5.2
416.14966	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06738	0.7
55.01882	3.2
55.16626	0.8
57.03440	2.3
58.00587	4.6
59.01381	100.0
60.01720	0.9
60.99295	0.8
62.05734	0.7
65.23209	0.7
68.99806	1.2
69.03454	3.6
71.01384	74.1
72.01733	1.4
72.81655	0.9
72.99302	6.8
73.02946	9.6
75.00861	0.9
77.25028	0.7
81.03455	2.4
83.01385	6.7
85.02953	18.1
85.66848	0.8
87.00879	13.6
89.02447	80.3
90.02787	1.9
95.01402	3.4
97.02958	6.9
99.00879	3.5
101.02447	58.8
102.02812	1.6
103.00376	0.9
111.00880	1.3
113.02453	24.9
115.03958	1.0
119.03497	24.7
121.02970	1.6
122.24353	0.8
125.02447	12.4
126.02818	0.7
131.03526	4.7
143.03519	10.2
149.04564	2.4
159.03003	0.8
159.21481	0.9
161.04553	13.4
179.05621	24.2
179.07196	1.4
180.05806	1.2
185.04530	2.2
199.06042	0.8
221.06709	6.0
229.05948	0.9
235.08206	13.5
235.10393	1.2
253.09357	4.9
263.07703	4.5
287.07748	2.2
305.08798	2.2
323.09537	0.8
415.14566	87.5
416.14859	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	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48752	0.7
55.01876	6.8
57.03455	5.6
58.00597	3.5
59.01379	78.2
60.01715	1.3
61.98820	1.2
69.03461	1.3
71.01381	90.3
71.56385	0.7
72.01720	1.9
72.99294	3.2
73.02946	36.9
74.03285	0.9
75.00875	1.5
81.03474	1.3
81.44906	0.6
83.01385	14.7
85.02950	52.8
86.00101	1.9
86.03268	1.5
87.00880	7.5
87.04512	1.8
89.02443	12.7
95.01388	6.3
97.02944	3.1
99.00238	1.3
99.00875	14.7
101.02441	77.3
102.02805	2.1
103.04010	9.2
111.00851	0.9
112.01673	1.4
113.02449	40.8
114.02818	0.8
115.04032	2.0
119.03509	4.5
125.02484	3.5
127.04056	1.2
129.01921	1.5
131.03499	3.0
143.03485	9.3
143.96558	0.7
145.05066	1.9
149.06033	0.7
159.02982	9.1
161.04553	65.0
162.04906	2.2
163.06110	3.8
203.07088	0.8
205.03542	0.9
205.07207	5.5
209.06607	0.7
251.09306	1.9
269.10291	100.0
270.10614	9.7
362.48798	0.6
374.19153	0.6
415.16086	53.7
416.16376	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	415.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.2
57.03439	3.6
58.00581	1.6
59.01376	32.0
61.83932	0.9
61.98827	4.3
65.00317	1.2
66.58595	0.8
66.94805	0.7
69.03442	2.0
69.41866	4.7
69.42281	1.3
71.01381	74.3
72.01717	1.5
72.99304	2.7
73.02943	24.5
75.00867	1.9
76.37260	0.8
81.03428	1.3
83.01381	9.0
85.02951	36.7
86.00080	1.8
87.00871	9.7
87.04507	2.5
89.02437	11.0
93.03418	0.8
95.01381	5.4
97.02946	3.1
98.20654	1.5
99.00893	7.3
101.02444	40.1
102.02789	1.3
103.03992	3.6
106.04262	1.1
107.01366	1.3
107.05029	100.0
108.05350	3.8
113.02445	31.6
115.04028	4.3
119.03482	2.0
119.05019	6.5
121.02908	0.8
123.04472	1.0
125.02429	4.2
129.01865	1.2
131.03490	4.2
132.35741	0.8
135.25073	0.8
143.03506	13.4
145.05069	1.8
151.00349	6.3
159.02986	6.9
161.04561	85.0
162.04901	2.8
163.00319	1.9
163.06128	2.2
164.04774	2.5
177.01958	1.0
179.07114	2.7
182.20590	0.7
187.04010	1.2
189.99078	1.2
203.05714	0.9
205.01526	1.2
205.03308	1.0
205.07201	7.9
269.10321	7.6
271.06085	6.3
311.05585	1.0
325.07104	1.2
355.08279	2.8
379.07803	0.9
385.09045	1.6
397.09338	1.9
415.10257	7.7
415.15991	30.5
416.11023	1.5
416.16098	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	415.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.5
57.03449	7.3
58.00575	3.0
59.01377	79.8
60.01696	1.4
61.98825	3.1
68.99809	1.2
69.03450	2.2
70.55504	1.6
71.01382	91.7
72.01737	1.0
72.99323	5.5
73.02945	37.8
73.08330	0.9
75.00925	2.2
83.01389	16.8
85.02949	58.2
86.00106	2.4
86.03284	1.2
87.00877	19.4
87.04501	1.4
89.02431	16.2
95.01377	6.4
97.02938	2.0
99.00867	16.5
101.02442	74.2
102.02734	1.4
103.04019	8.9
107.05043	1.4
109.02979	1.1
111.00893	1.4
112.01663	1.1
113.02449	39.9
115.04005	4.3
119.03505	4.1
123.04510	1.5
124.06717	1.0
125.02413	4.9
129.01921	8.2
131.03484	2.1
143.03500	7.7
145.05072	1.5
153.05560	3.0
153.09285	1.0
159.02979	9.9
161.04552	65.8
162.04843	2.3
163.06116	4.1
167.37793	1.2
175.67253	1.0
203.07109	1.3
205.03418	1.9
205.07062	2.9
209.06660	33.7
210.06972	2.2
223.06184	1.7
251.09322	1.9
269.10284	100.0
270.10641	9.4
324.24167	1.0
415.16074	55.7
416.16516	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	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.6
57.03447	7.1
58.00594	3.7
59.01378	71.7
60.01711	1.0
61.39664	0.3
61.98820	2.2
65.34515	0.3
68.99825	0.6
69.03461	2.2
70.72144	0.3
71.01381	94.3
71.56522	0.4
72.01709	1.7
72.99312	5.9
73.02946	37.5
74.03288	0.5
75.00865	1.9
78.98299	0.4
81.03451	1.0
83.01384	16.2
83.05004	0.4
84.02174	0.9
85.02950	55.3
86.00101	1.3
86.03291	1.5
87.00877	7.6
87.04510	2.1
88.01225	0.5
89.02444	14.5
90.02799	0.4
95.01388	8.2
97.02949	3.1
99.00883	14.2
99.04534	1.9
100.01201	0.6
101.02443	74.6
102.02766	1.8
103.04011	8.1
107.01418	0.4
107.05018	0.8
109.02972	0.4
111.00910	1.2
112.01660	1.3
113.02448	42.7
114.02787	1.2
115.00346	0.4
115.04012	2.3
119.03502	4.1
119.04986	1.6
121.06577	0.4
123.04540	0.8
125.02435	3.8
127.04003	0.8
129.01930	2.0
131.03510	3.1
135.04539	0.9
139.00327	0.5
142.99815	0.5
143.03488	8.3
145.05107	1.7
149.06042	0.8
151.00365	1.3
151.04044	0.7
159.02979	8.9
161.04555	64.9
162.04890	2.5
163.06117	4.8
167.03505	1.8
183.13788	0.4
185.11107	0.4
189.98898	0.3
191.03456	0.6
203.07184	0.5
205.01726	0.5
205.03584	2.0
205.07156	4.8
235.13554	0.6
251.09262	2.0
269.10287	100.0
270.10654	8.9
271.06104	1.7
299.77319	0.4
415.16034	52.1
416.16382	7.9
429.27490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43639	0.2
57.03450	0.3
59.01377	1.8
61.98829	4.7
63.99249	0.2
66.91725	0.2
71.01382	3.2
71.56255	0.3
73.02953	0.6
75.47725	0.2
83.01398	0.8
85.02521	0.2
85.02944	1.1
87.00902	0.3
88.75822	0.2
88.98827	0.3
89.02435	1.0
95.01411	0.2
99.00879	0.5
101.02439	1.4
108.02177	1.5
109.02969	0.6
113.02467	1.0
117.03436	0.2
119.03523	0.5
121.02946	0.3
123.00877	0.2
123.04529	0.2
125.02451	1.7
127.04075	0.3
128.03586	0.2
132.05763	0.2
135.04546	2.0
143.03514	0.2
145.02953	1.9
146.03737	58.0
147.04091	2.9
149.02428	0.3
152.01152	0.7
153.01933	0.3
161.06078	17.8
162.06421	1.1
163.04018	1.8
164.04790	39.0
165.05127	2.2
177.01888	0.3
178.02547	0.2
179.07132	100.0
180.07471	6.1
180.08711	0.1
191.03531	0.3
191.07198	0.2
193.05154	0.2
216.22232	0.2
235.06042	0.3
241.71216	0.2
315.07111	0.8
339.06985	0.3
415.12323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03445	1.9
58.00581	5.0
59.01380	100.0
61.98831	10.2
71.01381	63.0
71.56545	1.3
72.01731	1.4
72.99306	6.2
73.02933	2.2
73.89759	1.0
74.02467	4.5
81.03447	1.4
83.01382	3.9
85.02952	11.0
85.17719	1.1
87.00877	3.3
89.02444	79.6
90.02808	1.3
90.16223	1.1
95.01384	5.5
99.00854	1.5
101.01782	2.5
101.02442	46.7
102.02768	1.1
104.03526	2.8
108.02214	5.2
109.02950	2.4
113.02451	27.3
115.08785	6.2
119.03501	38.3
120.76331	1.1
125.02426	3.7
128.03542	1.3
131.03523	2.6
143.03519	5.1
143.11937	1.7
146.03705	4.5
149.04533	2.0
152.01132	4.6
153.01883	2.6
155.11855	3.2
161.04556	3.6
161.05867	1.3
164.04774	2.4
165.00093	1.5
167.03491	4.6
177.01947	1.8
179.05579	7.7
179.07133	6.1
187.10883	1.5
190.06403	1.3
193.05083	1.1
220.07498	2.5
235.09677	9.6
242.18726	1.2
295.08151	1.2
315.07187	4.7
339.07239	2.5
353.25574	1.6
360.60501	1.0
385.24649	3.0
415.16656	8.6
415.26047	5.9
416.16605	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	415.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.3
61.98831	0.5
63.32928	0.5
69.54296	0.3
70.28914	0.4
70.88313	0.7
70.88659	0.8
78.95901	5.2
83.05057	0.4
96.96964	0.8
143.91660	0.4
151.72108	0.4
152.99590	22.8
153.99934	0.5
219.40860	0.4
240.24944	0.4
261.22174	0.4
279.23288	100.0
280.20621	0.8
280.23627	12.0
370.16986	0.4
415.17078	0.5
415.22498	7.4
415.31738	0.5
416.22885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30795	0.5
56.36251	0.5
59.01365	1.0
69.90308	2.4
74.99101	6.3
77.00668	75.5
78.00996	0.7
98.20544	0.6
147.08177	2.4
149.09694	1.3
161.09697	0.9
163.11275	2.4
174.64136	0.4
187.11270	2.1
265.12469	0.7
277.21567	0.5
278.22305	0.6
279.13916	1.1
279.22424	0.8
280.14453	1.1
309.22177	2.6
321.18768	0.5
322.19470	0.6
337.21729	100.0
338.22040	14.3
404.12103	0.5
415.23151	11.1
415.32056	1.4
416.23486	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	415.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99422	0.3
55.01863	0.4
57.03448	0.9
58.00594	0.8
59.01377	100.0
60.01715	1.1
65.61907	0.3
69.18660	2.9
71.01382	18.1
71.05048	0.4
71.67271	0.2
72.01736	0.4
72.99318	1.0
73.02950	4.4
81.03450	0.3
83.01403	1.9
84.29151	0.3
85.02952	4.9
87.00898	1.0
89.02444	12.1
90.02831	0.5
94.84055	0.3
95.01366	1.5
95.96816	0.3
97.02965	0.3
99.00894	1.0
101.02438	11.2
101.03088	0.6
113.02449	8.6
119.03501	4.6
125.02422	0.4
131.03525	0.5
131.26457	0.3
137.09706	0.5
143.03535	0.8
159.02995	0.7
161.04550	4.0
179.05501	0.6
194.73041	0.3
208.29277	0.3
209.38037	0.3
211.17059	1.3
222.85164	0.3
237.33841	0.3
355.21252	2.8
366.95261	0.3
373.22290	21.0
374.22549	3.6
415.23221	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	415.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18448	0.3
55.01865	0.4
58.00590	0.5
58.92136	0.4
59.01382	100.0
60.01716	1.4
71.01383	11.6
73.02943	3.8
83.01401	1.0
85.02951	3.9
87.00895	0.7
89.02448	10.1
95.01379	0.7
99.00896	0.8
101.02444	7.7
113.02458	5.8
119.03495	3.4
120.03842	0.4
131.03534	0.4
143.03467	0.6
158.42508	0.3
159.03026	0.4
161.04546	4.2
179.05643	0.6
185.14035	0.4
195.54414	0.4
211.17174	1.1
256.07324	0.5
301.45126	0.4
355.21497	1.0
373.22296	12.7
374.22928	1.4
391.26984	0.4
406.63580	0.4
415.23471	1.4
439.27014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.1
55.73736	0.7
57.03452	5.3
58.00596	3.4
59.01381	100.0
60.01715	1.1
68.55766	0.6
69.03468	1.4
71.01383	79.2
71.56411	1.1
72.01739	1.3
72.99318	4.7
73.02943	9.2
83.01385	4.7
85.02952	22.3
87.00879	3.5
89.02447	78.3
90.02783	1.5
92.63150	0.6
95.01392	5.6
97.02924	0.8
99.00899	3.8
101.02449	49.6
102.02798	1.6
113.02454	33.3
114.02739	1.0
119.03506	34.2
125.02474	1.2
131.03529	2.9
131.26842	0.6
141.09215	1.0
143.03490	4.5
146.03711	3.6
149.04550	3.2
159.03023	2.7
161.04582	13.5
161.05943	1.3
164.04829	2.7
179.05637	5.9
179.07188	5.7
235.06168	0.9
248.67586	0.6
281.74454	0.7
291.88272	0.6
303.14566	2.7
303.44125	0.7
415.10120	0.7
415.23581	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Dendroside A
Peak:m/z	Relative Intensity
55.01880	5.6
57.03449	5.7
58.00586	3.7
59.01381	86.5
61.98820	1.2
69.03441	1.2
69.36539	1.7
69.36952	6.2
69.80535	1.0
71.01382	100.0
72.01720	1.6
72.99305	5.3
73.02948	20.3
80.25854	0.9
81.03477	1.2
83.01382	11.9
85.02952	38.7
87.00871	5.1
89.02445	69.7
90.02779	1.2
95.01382	6.6
97.02946	2.0
99.00876	8.6
101.02446	65.8
102.02775	1.8
111.00878	1.1
113.02451	46.5
113.03253	2.2
114.02757	1.1
119.03506	35.7
119.04884	1.7
125.02427	2.1
131.03467	2.1
143.03502	5.8
147.11813	1.7
149.04561	2.7
152.35158	0.9
159.02997	7.4
159.06615	1.6
161.04546	31.0
164.96411	1.1
165.12860	2.0
179.05637	7.8
189.99193	0.9
205.01416	1.4
209.06079	0.9
209.11909	1.0
257.25967	0.9
259.28162	0.9
271.06235	1.2
318.76059	0.9
325.07138	1.6
327.18323	1.8
345.19107	3.6
382.93384	1.1
415.10300	1.6
415.23401	33.7
416.23758	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46250	2.5
59.01378	100.0
68.99550	4.9
69.53290	9.5
69.53690	6.0
85.07355	3.0
96.40657	2.8
98.19827	2.6
112.98530	5.4
115.98650	2.6
154.47830	2.5
200.29601	2.9
279.23154	7.7
321.21783	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	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28421	4.0
59.01381	100.0
59.70095	4.2
70.28965	8.8
70.29379	15.0
129.43410	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	415.3213
Annotation	5alpha,8alpha-Epidioxycholest-6-en-3beta-ol
Peak:m/z	Relative Intensity
50.11696	0.5
59.01362	1.8
69.30062	1.1
69.30467	3.7
72.57536	0.5
87.00861	0.8
110.59644	0.5
111.34954	0.6
205.21660	0.5
208.10286	0.6
279.22632	0.7
279.26993	0.9
323.25958	0.6
341.27002	1.4
385.27359	1.0
415.32162	100.0
416.32510	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	417.0826
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01376	5.1
69.24718	6.3
70.00925	0.7
73.02930	0.9
77.36619	0.7
85.02955	0.8
86.14153	0.6
86.56621	0.6
89.02439	2.0
95.01359	0.7
98.20629	1.6
101.02423	2.6
107.01355	0.9
113.02440	1.0
125.02497	1.1
145.02934	2.3
151.00352	2.3
160.37651	0.7
166.02713	1.3
171.04582	0.7
181.05035	1.7
183.04446	1.3
187.03894	0.8
210.44585	0.7
211.03932	1.5
227.03482	71.5
228.03801	6.7
229.04968	1.8
239.03325	0.9
240.04161	1.5
255.02971	93.6
256.03531	12.6
257.04306	1.5
273.78055	0.7
284.03250	92.1
285.03879	23.2
286.04346	1.5
327.04932	0.8
357.12421	0.8
417.08234	100.0
417.20737	2.1
418.08578	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	417.083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.2
61.98831	0.7
68.91919	0.6
69.19960	0.6
78.62225	0.6
89.02438	0.8
98.97036	0.6
101.02465	1.4
113.02451	0.9
135.00902	0.7
145.02943	0.9
149.06117	2.0
151.00410	2.8
163.00401	0.8
166.02736	2.9
181.05048	3.0
183.04619	0.9
211.04112	1.5
211.07651	2.1
227.03506	71.5
228.03844	5.2
229.05096	0.9
239.03439	0.8
255.02986	93.4
255.10219	3.1
256.03525	15.2
257.04269	0.8
284.03268	75.1
285.03946	28.1
286.04337	1.7
325.54333	0.7
387.10733	1.6
402.13171	1.2
408.91144	0.7
417.08234	100.0
418.08627	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	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88261	2.4
59.01377	31.0
61.98830	6.6
71.01383	74.5
72.99294	3.2
73.02932	13.6
74.02480	6.1
75.00873	8.6
83.01387	8.8
85.02949	28.6
87.00893	6.3
89.02443	21.9
93.03443	15.7
95.01380	4.4
96.00915	4.5
99.00918	4.1
100.66144	2.3
101.02443	31.8
107.05002	15.7
109.02962	2.2
111.00864	3.6
113.02457	33.9
119.03505	7.5
123.04540	6.3
129.01971	2.8
133.02946	6.9
135.04538	43.0
143.03519	4.0
147.04486	4.1
149.02412	9.8
150.03242	15.5
159.03003	7.3
161.04547	100.0
162.04848	3.1
164.04803	4.8
165.05568	72.9
166.02721	21.3
166.05931	2.7
177.05531	5.8
179.05632	5.4
179.07126	7.8
181.05077	27.0
191.07158	3.2
195.06610	9.5
205.03564	4.3
207.06598	5.7
219.06602	9.8
221.06718	3.0
233.06598	6.2
237.07594	3.4
302.97049	2.6
338.13535	7.8
339.13937	2.8
382.16101	7.8
417.14127	8.2
417.19495	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	417.1552
Annotation	Magnostellin B
Peak:m/z	Relative Intensity
59.01375	1.4
60.06644	0.2
61.98810	0.3
64.75365	0.2
64.89796	0.2
65.38791	0.2
67.01875	0.5
68.99818	0.3
69.03444	0.2
69.38272	1.4
71.01375	1.1
79.41578	0.2
81.03448	0.4
84.02134	0.2
85.02951	0.7
89.02429	0.5
90.12359	0.2
93.03448	0.7
95.01395	1.0
95.05004	0.4
97.02981	0.2
98.20712	0.2
99.00856	0.2
101.02435	0.4
107.01389	0.2
107.05026	0.6
108.02171	0.6
109.02953	4.4
111.00880	0.8
113.02507	0.2
117.03436	1.1
117.56065	0.2
119.05000	0.6
121.02943	1.1
121.06616	0.4
122.03724	0.2
123.00882	4.3
123.04525	0.7
124.01655	0.7
125.02441	1.4
131.05019	0.5
133.02950	0.6
134.03764	0.2
135.04527	0.7
136.01605	0.2
137.02444	17.1
138.02881	0.6
139.00371	0.6
139.04005	0.8
145.02943	3.8
146.03381	0.3
147.04514	0.5
149.02458	2.0
149.06041	0.4
150.03197	0.7
151.00366	29.1
151.03940	1.9
152.01155	3.0
152.04782	2.7
153.01869	0.5
153.05457	0.3
154.02660	0.4
159.04535	0.5
161.02455	0.3
161.04500	0.2
162.03236	0.2
163.04021	1.0
164.04782	0.4
165.01961	1.2
166.02708	66.2
167.03320	5.1
168.03793	0.2
173.02477	0.5
174.03320	0.2
175.04004	1.6
175.07654	0.2
176.01195	0.3
176.04489	0.2
177.01935	4.2
177.05530	0.3
178.02599	0.8
179.03566	1.0
179.07130	0.5
181.05060	100.0
182.05396	5.6
184.03789	1.4
187.04045	0.3
188.04790	0.2
189.05611	0.6
190.02682	0.5
190.06354	1.5
191.03513	1.6
191.07022	0.2
192.04269	1.3
193.05064	1.2
195.02969	1.0
197.82730	0.2
198.60373	0.2
201.05685	0.2
202.02737	0.2
203.03490	0.5
203.07158	0.3
204.04242	0.2
205.05026	1.4
205.08688	1.8
206.09047	0.3
207.06613	1.6
209.04526	0.4
217.04990	0.3
219.06635	0.9
220.07304	0.3
221.04463	0.3
224.03241	0.2
225.07628	0.2
233.08241	0.3
235.06046	0.2
243.02893	0.2
243.06583	0.3
244.07355	0.3
255.06607	0.7
271.06094	0.3
283.06125	0.3
285.07550	0.2
301.07120	0.8
307.08347	0.3
314.08105	0.5
316.09653	0.3
329.10431	0.6
339.08444	0.2
341.10333	0.4
356.12598	0.3
357.09821	0.5
358.10529	0.2
359.11362	2.1
360.12006	0.3
369.10083	0.2
371.14865	0.9
372.08560	0.3
387.10822	16.1
388.11179	2.3
402.13187	13.2
403.13464	1.6
417.15698	24.2
417.20041	0.9
418.15952	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93357	1.1
54.06215	0.9
55.01878	2.7
57.03445	3.1
58.00611	1.2
59.01382	100.0
60.01708	2.1
61.98825	1.8
71.01385	47.4
71.05005	1.9
71.05367	1.1
72.01759	1.0
72.99313	2.2
73.02952	15.7
75.00859	1.7
75.52783	1.0
79.24758	0.9
83.01401	6.5
84.14473	1.0
85.02954	17.9
87.00876	3.0
87.04550	1.4
89.02454	16.8
95.01390	3.6
99.00885	3.8
99.04524	1.5
101.02449	30.0
108.02223	1.4
113.02449	17.2
119.03499	7.0
119.05046	3.1
125.02404	2.5
141.54791	0.9
143.03522	1.9
151.00403	2.6
159.02974	3.0
161.04558	15.8
163.00293	1.6
166.02689	1.9
176.98376	1.1
178.99782	1.0
181.05063	2.3
187.03984	1.6
190.99861	1.5
195.10298	2.5
237.14896	1.1
240.04353	4.6
255.03046	1.1
255.06573	3.9
255.12352	3.5
271.06134	2.1
297.03998	3.8
299.05499	1.3
329.06616	1.9
331.17752	5.4
342.96774	1.2
417.07748	1.6
417.12433	2.0
417.20969	30.9
418.21573	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	417.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14927	0.7
55.01887	1.4
57.03457	1.1
58.00589	0.9
59.01381	100.0
60.01720	0.8
61.98826	4.0
71.01385	22.4
72.99302	0.9
73.02961	4.2
74.02484	3.0
75.45611	0.7
83.01382	1.8
85.02952	8.5
87.00890	1.6
89.02444	21.1
95.01400	1.9
99.00887	2.1
101.02444	16.2
104.14112	0.7
106.06133	0.7
113.02454	9.9
115.98009	0.7
119.03505	8.9
121.23997	0.6
129.01921	0.7
129.10387	1.0
131.03526	1.1
131.04599	0.7
134.42371	0.6
143.03532	2.4
149.04591	1.1
159.03006	1.6
161.04553	20.2
177.09190	5.1
179.05606	5.4
225.10144	0.6
226.15729	2.4
357.15549	22.1
358.15866	3.2
417.21725	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.3
57.03457	1.1
59.01381	100.0
60.01714	1.8
61.98845	1.7
62.39267	1.0
71.01374	18.0
73.02962	6.3
75.00891	1.2
83.01404	3.3
85.02943	6.7
89.02455	4.5
95.01399	1.2
98.20743	2.3
99.00873	2.9
99.82130	1.2
101.02457	12.1
102.60527	1.3
113.02456	6.8
117.49300	1.2
119.03525	1.8
125.02505	1.2
137.02464	1.5
151.00308	1.8
154.72340	1.3
159.02997	1.1
161.04550	7.8
166.02705	4.2
173.45914	1.2
181.05086	6.7
211.04221	1.3
227.03503	5.0
255.02982	4.8
284.03268	3.9
285.03967	2.8
297.07169	1.4
331.17630	13.5
417.07886	6.3
417.21124	16.9
418.21606	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	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21529	1.4
59.01379	100.0
61.98837	3.5
68.40157	1.6
71.01375	4.4
71.32334	2.7
80.07481	1.4
81.19616	1.7
81.78407	1.5
89.02443	1.9
101.02436	2.3
165.03259	1.6
209.74208	1.9
241.04903	3.0
242.05098	1.6
256.07352	7.4
271.09698	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50504	0.9
51.00436	0.9
55.01870	2.1
57.03439	2.1
58.00581	1.8
59.01381	95.4
61.98812	2.7
63.21565	1.0
66.51074	1.0
69.03447	1.4
71.01384	35.7
71.56335	1.5
72.99293	2.2
73.02947	9.4
75.00865	1.5
82.99909	1.0
83.01376	5.6
84.15387	0.9
85.02948	12.8
87.00855	3.4
89.02447	19.3
95.01399	2.4
97.02935	1.1
99.00872	3.0
101.02444	29.6
101.33422	1.1
113.02442	15.0
113.67775	1.1
119.03499	9.6
119.04987	1.0
120.03642	1.0
123.04523	1.1
125.02434	1.7
131.03479	1.1
134.03676	1.1
137.02342	1.3
143.03525	1.3
151.00331	1.9
159.02997	1.4
161.04567	6.5
166.02690	3.7
167.03448	1.5
177.01883	1.3
179.05609	1.4
181.05084	5.8
195.10152	1.1
229.25403	1.0
240.04323	5.0
241.44104	1.0
255.06483	4.8
257.08749	1.1
271.07034	2.3
284.03406	1.0
305.15869	1.6
311.06888	1.3
331.17709	1.1
357.10413	2.1
357.19144	7.5
387.10632	2.1
399.20145	2.8
417.12866	7.3
417.21194	100.0
418.21628	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	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39297	0.3
55.01877	6.1
57.03448	4.7
58.00598	2.4
59.01381	51.2
60.01721	0.6
67.01881	0.4
69.03451	0.7
69.39045	2.9
71.01384	100.0
71.44608	0.3
72.01724	1.4
72.99313	2.7
73.02948	28.7
74.03297	0.5
75.00875	1.4
83.01388	10.0
84.02168	0.8
85.02953	42.4
86.03304	0.8
87.00883	4.0
87.04523	2.9
89.02448	31.1
90.02776	0.5
95.01392	7.7
97.02961	2.2
98.20657	0.6
99.00882	13.1
101.02447	56.8
102.02798	1.0
111.00889	1.5
113.02451	38.4
114.02779	1.5
115.04018	0.5
119.03504	12.1
120.03860	0.4
125.02472	1.9
126.67476	0.4
129.01917	1.8
130.30031	0.4
131.03499	1.0
139.00325	0.4
143.03497	5.3
149.04553	0.7
159.03004	9.5
160.03270	0.5
161.04561	46.5
162.04918	1.4
167.02084	0.3
179.05634	2.3
195.12782	0.3
196.05156	0.4
198.66649	0.4
205.03557	0.7
239.03549	0.4
240.04286	9.6
240.06577	0.7
241.04689	0.4
255.06595	10.2
255.19702	1.5
256.07043	1.2
297.07721	0.4
297.20657	1.0
408.46869	0.5
417.12302	1.4
417.25061	23.0
418.25409	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	5.6
57.03439	4.8
58.00589	2.5
59.01378	74.3
68.27094	0.7
69.03471	1.0
69.43307	4.6
71.01382	100.0
72.01738	1.3
72.99310	4.7
73.02945	24.2
73.03353	1.3
75.00867	0.8
83.01383	9.9
84.02171	0.9
85.02949	38.8
87.00861	4.8
87.04517	2.2
89.02444	42.1
90.02766	0.9
95.01388	7.7
97.02958	1.8
99.00871	8.7
101.02443	70.6
102.02803	2.0
113.02448	39.5
119.03506	15.3
121.24741	0.7
125.02446	2.9
129.01953	2.3
131.03505	2.7
143.03493	4.9
159.03009	8.7
161.04550	46.4
162.04863	1.2
168.32851	0.6
174.39569	0.6
179.05600	4.2
205.03600	1.5
209.74815	0.7
255.19716	2.9
271.07260	0.8
294.86981	0.7
300.09543	0.7
417.12848	1.4
417.25027	37.8
418.25189	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	417.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21660	0.5
55.01877	5.5
57.03455	4.0
58.00593	2.2
59.01381	65.7
60.01718	0.6
60.15911	0.6
61.98824	1.1
63.33661	0.6
67.01880	0.7
69.03435	1.0
69.30585	5.9
71.01384	100.0
72.01708	2.2
72.99305	3.5
73.02953	21.1
75.00880	1.8
83.01385	9.2
85.02955	39.4
86.03286	1.1
87.00883	4.4
87.04529	1.7
89.02448	38.7
90.02821	0.9
95.01380	7.8
97.02953	1.8
99.00888	10.5
101.02445	63.5
102.02790	1.5
113.02455	36.9
114.02764	1.1
115.00313	0.6
115.49823	0.6
116.44703	0.6
119.03505	15.3
121.46945	0.6
125.02473	2.9
126.60594	0.8
129.01961	1.8
131.03499	2.3
143.03496	5.3
149.04559	0.9
159.02965	7.8
159.48538	0.5
161.04555	40.5
162.04910	1.3
166.02676	0.5
168.00731	0.6
179.05595	4.7
255.06627	0.7
255.19716	2.4
256.07294	0.7
256.19742	0.6
284.03232	0.7
417.25070	34.6
418.25507	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	417.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23479	2.9
53.79625	2.7
54.80550	2.6
55.12427	2.6
59.01381	100.0
61.98816	7.5
69.45721	6.3
69.46129	22.3
70.74673	2.9
78.91613	2.9
81.69630	3.0
83.04955	3.6
83.15991	2.9
85.64941	3.4
97.10448	3.2
105.17347	3.5
108.72634	3.3
111.31734	3.0
126.91501	3.7
129.80164	3.2
156.29016	3.5
417.21106	6.3
417.33340	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	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	49.4
61.98833	100.0
71.01382	10.8
71.32621	3.7
73.02973	3.7
85.02920	3.1
86.35558	2.2
89.02440	2.7
94.01299	2.0
99.00982	2.0
101.02444	3.3
102.05577	3.4
113.02451	4.7
128.03543	7.0
144.57051	2.3
161.04523	3.6
185.37697	2.4
240.03780	2.5
269.10538	2.9
358.16022	3.9
418.16400	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11182	0.9
57.09204	1.0
60.07999	1.1
61.98830	100.0
69.20245	4.7
69.20667	6.5
71.01387	1.2
84.70601	1.1
107.78715	0.9
134.05057	1.0
140.71455	1.0
252.91383	1.1
304.55762	1.0
318.12363	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
61.98829	100.0
68.78696	0.6
69.55107	3.0
69.55526	1.3
91.72674	0.6
95.63121	0.7
112.74644	0.9
117.97798	0.7
134.64592	0.7
181.59401	0.7
201.00072	0.6
355.33859	0.7
357.29095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01374	3.4
61.98834	9.3
69.03442	1.4
69.23503	7.7
71.01385	3.0
81.03458	9.2
83.01402	3.2
85.02921	1.3
89.02436	0.9
93.03503	1.7
93.42275	0.9
94.44856	0.8
95.01375	1.4
95.05036	12.0
97.02938	3.9
99.04516	2.8
107.05095	1.1
108.02205	1.0
109.02991	0.8
111.04488	1.0
122.03732	2.1
123.04527	6.5
123.69569	0.7
125.02451	17.4
125.99641	0.8
131.05000	2.3
135.04529	1.5
137.02449	5.4
139.04012	1.2
147.08162	2.1
149.02449	1.0
149.06023	0.8
156.05821	0.8
159.13274	0.7
163.00386	0.8
164.04752	1.6
166.02628	0.9
167.03499	28.9
171.08180	4.0
173.06084	7.9
179.03520	1.1
179.81538	0.9
197.04582	3.6
201.56944	0.7
212.08344	1.3
213.05772	1.3
213.09203	7.3
215.07121	2.5
227.10783	7.0
229.08727	1.0
239.07137	1.4
242.05481	2.3
255.06525	1.0
255.10274	2.2
256.07178	2.2
257.08163	20.6
268.24585	0.8
269.08133	8.2
271.09750	2.3
272.10126	2.5
283.09689	1.2
297.07819	1.0
297.39810	0.8
299.09238	100.0
311.09180	1.9
329.10312	29.6
401.12381	2.5
419.13412	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	419.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14959	0.5
56.13297	0.5
59.01381	5.7
60.99305	14.9
61.41532	0.7
61.98831	6.1
64.67715	0.5
69.71001	3.4
71.01378	2.1
87.00867	0.7
88.98808	100.0
89.02437	1.4
89.99161	1.5
101.02457	0.9
108.02160	0.9
113.02454	1.0
119.99731	0.5
123.04490	1.4
126.84782	0.6
167.03496	2.9
213.05573	1.4
241.05382	2.9
241.07408	2.8
242.05598	0.7
242.07909	1.2
256.07361	3.0
257.04932	0.6
257.08105	1.4
329.08868	1.3
341.39914	0.6
366.56174	0.5
419.15231	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	419.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	9.1
59.01380	40.1
61.98832	86.7
65.00303	2.8
65.03941	3.2
71.01383	17.7
71.56316	3.8
72.99327	9.4
73.02945	6.2
75.00879	38.4
81.03456	4.6
83.01395	9.6
85.02961	8.4
87.00879	7.1
89.02454	16.7
93.03465	21.0
95.01391	7.9
95.05028	5.0
97.02940	7.3
99.00900	4.8
101.02428	12.1
105.01932	30.4
107.05074	2.8
108.02204	3.2
109.02959	13.5
111.04541	5.2
113.02456	7.9
117.01968	4.8
117.03474	2.6
119.03534	3.7
119.05032	10.5
121.02970	14.9
123.04516	6.8
124.01650	5.5
125.02451	69.7
126.02785	4.6
129.02025	2.2
130.09862	4.0
131.03548	5.0
133.02951	9.0
133.07755	2.6
135.00923	4.0
135.03000	58.7
135.04553	8.4
137.02451	56.7
138.03198	8.1
139.04008	10.9
143.04950	2.6
148.01685	4.0
149.02477	12.0
151.00391	13.3
151.03999	10.5
153.01941	6.9
161.02440	3.1
161.04582	5.8
161.06081	2.9
163.00377	46.8
163.04037	10.4
164.01161	52.3
165.01938	72.4
167.03508	12.1
172.10921	2.6
173.06042	3.5
176.01154	5.2
177.01936	100.0
178.02333	7.0
178.99832	5.1
179.03514	37.0
180.03952	3.1
185.06094	6.7
185.44443	2.5
189.01918	18.7
190.02583	13.8
191.03378	3.3
193.01358	8.7
193.05028	3.0
195.02983	12.5
197.04584	16.3
201.05560	4.7
203.07065	4.9
207.02925	11.3
211.07622	3.3
215.07129	8.0
225.03990	30.3
225.05901	3.5
227.07170	6.3
228.04350	2.9
241.05290	5.3
243.06458	4.1
249.04030	6.3
253.05052	3.9
255.06586	11.2
256.07373	3.8
259.06091	13.2
267.05096	9.6
269.04437	5.1
269.08044	3.5
271.06128	22.4
281.04462	15.6
282.05341	17.7
283.06131	69.0
284.06277	8.0
285.06046	13.2
287.05569	22.3
299.05563	6.0
301.07175	9.6
311.05634	11.6
313.07196	12.0
321.31274	2.6
329.06702	7.1
330.66669	2.7
341.06671	11.6
342.06973	2.9
359.07507	2.9
384.03561	3.1
419.09857	9.4
419.15051	3.0
419.20041	6.3
442.99960	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	419.1348
Annotation	Davidioside
Peak:m/z	Relative Intensity
51.68996	0.6
56.22635	0.7
59.01389	3.2
61.98832	21.0
71.01357	1.2
71.56053	1.1
89.02455	0.9
97.44397	0.6
177.60890	0.6
195.04565	1.0
196.05281	3.9
213.05513	2.5
214.06332	2.2
222.44086	0.6
224.04807	6.2
239.07080	5.9
239.09218	0.7
240.07443	0.9
241.05028	1.0
242.05846	42.9
243.06149	2.7
257.08185	100.0
258.08514	9.8
419.14136	0.9
419.18863	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85160	0.7
56.55953	0.6
57.03439	1.6
59.01371	1.3
61.34452	0.7
61.98825	1.1
69.03450	1.7
71.01375	2.6
78.57560	0.7
80.02674	1.1
81.03455	9.4
81.92521	0.7
83.01380	3.3
85.02923	0.8
93.03471	1.7
95.01404	1.3
95.05027	16.3
96.05374	1.1
97.02956	4.3
99.03983	0.6
99.04529	4.4
101.02490	1.1
105.03436	0.8
107.01414	0.7
107.05055	0.8
109.02966	1.0
113.02476	1.0
121.02985	1.3
122.03732	1.5
123.04524	8.8
125.02449	18.1
131.04991	1.6
135.04533	1.2
137.02443	6.0
139.03996	1.8
147.08147	2.7
149.02426	0.9
149.06088	1.1
151.00356	0.8
163.00362	1.4
164.04790	2.7
165.01915	0.8
166.02710	1.0
167.03496	39.0
168.03772	1.9
169.06636	0.9
171.08154	4.6
173.06071	7.8
179.03453	1.2
183.08157	0.8
189.09222	1.1
195.08142	0.9
197.04584	3.3
199.11443	0.7
212.08386	1.6
213.09232	8.8
214.09546	0.9
215.07076	2.8
227.10782	7.5
229.08615	1.0
239.07109	1.6
253.08913	0.9
255.06389	0.8
255.10190	2.9
257.08173	22.6
258.08557	1.9
269.08179	7.9
270.08545	1.1
271.09741	1.8
273.10297	0.8
283.09686	1.4
296.07037	0.9
297.11017	0.7
299.09238	100.0
300.09604	12.7
311.09195	2.6
329.10309	26.6
330.10699	2.9
341.10281	1.5
375.03214	0.7
401.12338	1.3
419.13403	7.0
420.13739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60038	0.3
57.03437	0.8
59.01365	0.4
59.79988	0.2
65.00323	0.7
71.01408	0.3
71.05324	0.4
80.72375	0.3
81.03462	3.3
83.01385	1.1
107.01419	0.6
121.02971	0.4
122.03754	2.0
125.02444	6.1
145.06529	0.3
147.08191	0.4
149.02454	0.8
149.06110	0.4
151.00372	1.4
153.07150	0.5
156.05794	0.7
159.42422	0.2
166.02570	0.3
167.08556	0.3
169.06607	1.0
171.08191	1.2
172.05264	0.4
173.06071	2.7
180.05794	1.3
180.46239	0.3
181.06519	1.0
183.04527	0.6
191.65715	0.2
195.08142	1.8
197.06056	0.4
213.05684	0.5
213.09203	9.6
214.06268	0.4
214.09503	0.6
224.04857	0.5
225.05562	6.5
226.05930	0.6
239.07109	4.5
240.04449	0.3
240.07414	0.4
241.05061	4.8
242.05786	1.3
257.08185	100.0
258.08514	9.6
258.11273	0.3
299.09225	0.5
419.13284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22547	0.2
57.33307	0.2
59.01381	2.1
61.98837	0.4
71.01377	0.9
72.01707	0.3
73.02952	0.4
85.02972	0.4
89.02444	0.4
89.33530	0.2
93.52226	0.2
98.20742	0.5
98.78786	0.2
101.02457	0.8
113.02434	0.3
127.86739	0.2
172.05275	1.1
173.06116	0.3
180.05812	3.7
181.06601	3.2
183.04488	1.6
196.05318	0.4
197.06021	0.6
204.04305	0.3
213.05504	1.3
214.06326	0.9
224.04759	1.3
225.05562	16.6
226.05902	1.8
227.03593	0.3
229.08713	0.3
239.07341	0.4
241.05070	11.0
242.05754	2.4
243.06244	0.4
257.08188	100.0
258.08533	9.7
258.11285	0.3
419.13605	2.1
419.22302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1348
Annotation	RHAPONTIN
Peak:m/z	Relative Intensity
56.75391	0.2
59.01382	0.5
69.41304	1.3
71.01397	0.3
99.00931	0.2
114.76713	0.2
121.02930	0.2
129.96466	0.2
130.62360	0.1
145.03021	0.2
156.05754	0.2
172.05246	1.0
180.05800	3.3
181.06573	2.2
182.06920	0.3
183.04572	1.3
196.05327	0.6
197.06068	0.7
213.05534	1.3
214.06250	1.0
224.04779	1.4
225.05568	16.6
226.05888	1.5
229.08656	0.2
240.04294	0.2
241.05057	11.0
242.05714	2.4
243.06218	0.2
245.46944	0.2
255.06708	0.2
257.08188	100.0
258.08517	8.4
334.54822	0.2
419.13513	4.6
419.22318	0.3
420.13641	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11913	0.4
51.45833	0.4
59.01390	2.4
61.98819	1.0
66.44376	0.4
69.22115	4.1
71.01382	1.1
81.03474	1.2
85.02951	0.6
89.02437	0.7
91.01900	0.9
101.02460	1.1
103.82671	0.4
108.02165	0.8
109.41715	0.4
113.02495	0.7
119.03465	0.4
122.03751	9.2
125.02443	0.8
137.02480	1.1
159.34825	0.5
167.35834	0.5
169.10214	1.2
171.08131	3.9
172.05264	0.7
180.05835	2.3
181.06554	2.0
183.04546	1.0
196.05176	0.4
197.06012	0.4
198.06746	0.5
201.78609	0.4
211.07655	0.5
213.09206	52.5
214.06331	0.6
214.09589	4.9
224.04778	1.4
225.05568	12.7
226.05884	0.6
239.07132	4.1
240.04085	0.5
241.05046	15.7
242.05838	26.1
243.06062	2.1
257.08188	100.0
258.08548	9.6
373.76779	0.5
419.13483	34.4
420.13782	6.0
421.94098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40684	3.5
56.81516	3.6
59.01105	5.8
59.01382	100.0
61.98824	11.8
69.63701	9.0
69.64114	14.2
71.01381	58.7
72.99329	4.3
74.02483	4.5
82.83176	4.0
83.01383	3.8
85.02961	8.0
86.40121	3.4
87.80589	3.8
89.02442	66.2
94.61853	3.6
98.19924	7.1
101.02449	29.3
113.02425	17.7
114.39632	3.6
119.03503	35.0
120.98196	3.8
121.74281	3.5
128.03534	5.0
141.72330	3.8
143.03551	8.6
143.04599	8.7
149.02455	3.9
161.04573	6.2
164.04805	25.7
179.05598	16.9
179.07132	41.4
185.85112	4.0
196.61150	3.4
197.08105	5.4
210.08804	3.4
260.90009	3.6
272.08963	6.5
306.07596	13.9
352.10971	4.1
359.13367	5.2
390.42273	4.6
393.55646	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	419.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81938	3.3
57.03436	3.5
59.01383	100.0
61.98827	24.6
64.49944	3.1
69.77954	17.7
71.01382	61.6
72.99288	3.4
73.02962	4.6
76.47077	3.0
82.06097	3.1
83.01379	4.8
85.02961	15.8
87.00878	6.7
89.02452	77.8
95.01362	5.7
101.02451	35.3
113.02454	25.4
119.03497	29.2
122.03616	3.3
125.02427	10.3
131.03471	7.3
137.02422	9.3
143.03491	7.1
146.03716	13.8
161.04567	6.5
161.06033	3.9
163.00365	7.2
164.01213	4.5
164.04768	12.1
165.01906	7.9
171.94534	3.8
177.01855	7.2
177.74875	3.9
179.03503	5.0
179.05576	17.6
179.07115	35.6
187.08684	3.6
197.08186	6.0
271.06000	4.2
281.04517	4.8
283.06113	4.6
359.13385	6.1
368.54431	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	419.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42866	0.4
55.01872	0.6
57.03482	0.5
58.00553	0.5
59.01379	100.0
60.01722	1.2
61.98830	11.5
70.94003	1.0
71.01381	10.8
72.99310	0.8
73.02950	2.2
83.01402	0.7
85.02946	4.1
86.02376	0.5
87.00869	0.9
89.02441	9.4
95.01416	0.9
98.73528	0.5
99.00915	1.5
101.02441	8.7
108.58537	0.5
113.02451	5.5
114.02884	0.5
119.03509	4.1
125.02441	0.6
127.18708	0.5
131.03526	0.5
143.03496	1.8
143.04594	0.7
159.02948	0.7
161.04565	9.2
164.88521	0.5
179.05672	2.2
200.39948	0.5
219.03026	0.7
312.15039	0.5
337.60382	0.5
359.17096	16.4
360.17575	1.6
392.23303	0.5
419.19086	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
61.98829	100.0
68.21481	0.3
71.01391	0.3
104.05090	1.0
108.04561	0.9
108.08196	0.6
119.23845	0.4
132.04558	5.9
136.06615	0.6
136.07672	12.3
148.04070	1.1
176.03593	1.0
200.19115	0.4
208.06200	1.2
218.68918	0.4
229.27428	0.4
253.13498	0.7
281.12973	3.8
282.13330	0.5
297.12631	0.6
325.11908	7.5
326.12457	0.5
357.10016	0.7
357.14523	14.6
358.14755	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	420.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
61.98831	100.0
65.87019	0.5
69.64381	1.0
69.64801	2.4
71.01400	0.5
87.04461	0.4
89.02462	0.7
94.37450	0.5
154.02025	0.4
169.14740	0.4
188.68915	0.5
216.15787	0.5
250.28323	0.5
421.16245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15356	0.5
58.02705	0.7
58.02976	8.9
59.01373	4.1
61.98832	0.9
65.85148	0.4
69.35046	4.0
71.01353	1.0
72.00911	4.2
73.04063	6.9
82.06612	1.4
83.01406	0.7
85.54214	0.5
91.05526	4.6
91.05991	0.6
97.04082	1.5
98.02478	4.1
101.02450	1.1
108.08176	1.6
112.07678	1.4
115.05118	5.4
115.27632	0.5
116.03542	1.1
118.06651	1.1
124.83122	0.5
126.09261	1.5
129.10333	15.2
130.16916	0.6
139.08786	0.7
141.10367	2.5
143.11909	1.7
147.03348	0.9
147.04518	16.7
148.04816	0.8
151.08733	1.6
152.07164	9.3
152.10718	0.8
153.05467	0.5
153.07513	0.6
155.08243	1.4
164.07156	43.2
165.07474	1.7
168.11417	16.7
169.09793	1.8
169.11800	0.9
186.12463	35.5
187.12807	2.0
196.09787	1.8
210.12471	19.4
211.10866	4.4
211.12680	0.7
228.13489	2.7
228.60277	0.5
233.16559	9.5
234.16954	0.8
249.82529	0.5
257.08099	0.9
258.08530	2.9
259.14517	1.0
277.15570	5.8
290.18738	8.7
291.19360	0.6
332.19855	5.1
376.18738	100.0
377.19067	12.0
402.20407	1.4
420.21317	13.3
421.20911	1.2
421.24460	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2757
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01375	1.4
61.98818	1.1
62.92263	0.8
69.61842	0.9
71.56141	1.5
78.28956	0.8
85.64851	0.7
89.44256	0.9
96.96033	1.9
121.02960	100.0
122.03283	4.8
131.27003	0.8
162.83856	1.1
164.83611	10.4
191.07162	1.2
211.21893	0.8
217.05200	1.2
250.64063	1.1
268.66632	0.9
333.99072	0.9
360.02783	0.9
417.13330	0.9
420.27539	49.7
421.22495	1.4
421.27884	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	421.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.6
59.01384	47.2
61.88785	2.0
61.98829	100.0
71.01385	13.2
71.10924	3.9
73.02948	3.3
75.00866	3.3
75.85010	1.9
81.03476	3.7
83.01399	7.8
85.02945	4.6
87.00877	2.1
89.02458	5.2
93.03471	10.2
95.01377	4.3
95.05038	3.1
96.96959	1.9
97.02951	2.5
98.22687	1.7
99.04545	2.3
101.02442	6.4
105.01935	4.1
109.02959	6.6
111.04549	4.3
113.02451	7.1
119.05009	6.4
121.02970	4.7
122.03757	4.5
123.04541	7.6
124.01608	3.7
125.02446	75.1
126.02757	2.4
128.03549	3.0
133.02930	4.2
135.04521	4.1
137.02457	23.6
137.71997	2.0
138.03256	2.3
139.04031	3.2
145.02982	2.5
149.02478	11.3
150.03233	23.9
151.04008	10.8
151.77621	1.8
161.04602	4.9
163.00383	8.3
163.04037	4.6
164.01172	8.1
164.04843	2.7
165.01968	12.7
165.05563	27.4
167.03491	9.5
177.01939	45.7
177.05350	1.8
179.03537	15.4
180.04248	7.8
181.05069	3.7
182.05348	2.0
189.01917	7.0
189.05473	2.0
190.02695	6.7
191.03415	1.9
195.06627	19.1
196.06917	1.8
197.04552	92.3
198.04897	6.2
207.72647	2.0
209.04465	8.8
215.07094	4.1
225.07620	2.0
255.06650	5.8
269.08075	2.2
283.06104	30.0
284.06461	3.1
285.07706	4.1
301.07147	13.5
313.07169	18.2
314.07635	2.8
315.08661	2.5
331.08099	5.1
332.08572	2.5
343.08246	2.7
361.18552	4.8
373.12973	8.5
374.13263	2.5
421.17072	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	421.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01107	0.8
59.01385	13.5
61.98828	1.4
70.93925	1.1
71.01382	3.3
73.02965	1.3
83.50609	0.5
85.02957	1.5
87.00890	1.0
89.02439	1.3
89.60950	0.5
93.03439	3.0
95.01375	0.9
99.00900	0.5
101.02453	2.0
108.02178	37.7
109.03060	2.9
113.02445	1.6
115.00381	2.2
115.16481	0.4
121.02960	31.8
122.03751	17.4
123.00876	1.8
123.04499	1.7
124.01659	1.3
134.03754	0.7
137.02441	2.2
137.06085	17.3
137.65715	0.5
138.06433	0.7
143.03676	0.4
149.06079	1.4
157.76323	0.4
161.04585	1.5
174.01738	0.5
175.02524	1.3
241.08786	1.4
244.07414	2.1
259.09735	100.0
260.10086	9.0
281.06735	0.9
361.18683	0.7
421.15024	5.2
421.20813	3.6
422.21097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88934	0.4
59.01381	2.4
71.01378	2.0
71.33530	0.5
73.02957	0.7
74.14593	0.4
80.02650	0.5
81.03459	5.9
85.02956	0.8
87.68528	0.6
93.03456	1.3
95.01398	0.7
101.02460	0.9
108.02172	4.0
108.15939	0.4
111.91988	0.4
113.02432	1.1
121.02958	21.2
122.03755	16.2
123.00858	1.5
123.04545	11.9
124.01693	0.7
124.04827	0.5
125.02468	3.8
136.01677	1.0
136.05287	0.6
137.02443	5.3
137.06088	16.9
138.06416	0.9
145.21017	0.5
153.01933	1.2
154.02693	0.8
154.74948	0.4
161.04575	1.4
243.06589	2.7
244.07373	12.0
245.07721	1.2
259.09741	100.0
260.10080	10.1
263.42065	0.5
413.62064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1505
Annotation	Ixerin Z
Peak:m/z	Relative Intensity
59.01102	0.4
59.01381	6.6
60.01717	0.3
61.98835	2.3
63.13235	0.2
65.61891	0.2
71.01380	2.1
71.56272	0.4
73.02958	0.8
76.52091	0.2
78.12185	0.3
81.03393	0.2
83.01384	0.6
85.02959	1.0
86.09866	0.3
89.02463	0.6
90.79907	0.2
93.03468	0.8
95.01398	0.5
99.00908	0.3
101.02444	1.5
108.02170	2.5
109.02945	0.5
113.02461	1.0
121.02955	13.1
122.03744	19.7
123.04484	0.4
124.01694	1.7
125.02433	0.7
126.03247	0.3
136.01614	0.6
137.02454	5.2
137.06085	35.5
138.06413	1.5
151.04010	0.9
153.01961	0.8
154.02725	2.9
161.04494	0.3
185.11909	0.5
199.13351	1.1
217.40855	0.3
244.07266	0.6
248.87727	0.3
259.09735	100.0
260.10083	9.1
275.14987	0.5
311.07571	0.3
361.22092	0.3
403.23352	0.6
421.15436	4.6
421.24374	6.3
422.15454	0.8
422.24805	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27882	9.7
61.98839	12.3
71.05019	8.2
130.55978	8.6
164.92860	9.3
228.10023	10.1
229.45804	9.7
235.56967	9.4
379.98376	9.3
404.73596	11.2
421.16364	100.0
422.16629	14.4
446.72501	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	421.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55285	2.3
59.01366	12.7
61.98822	4.9
62.27026	2.3
71.56509	3.0
71.56861	2.9
73.67713	2.9
89.02432	3.4
101.02427	2.7
102.49492	2.9
143.07190	3.4
198.91939	3.1
205.05045	5.2
221.79211	2.6
259.06146	3.5
272.27386	2.6
404.59583	2.8
421.16312	100.0
421.20767	4.8
422.16830	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	421.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34914	1.5
64.20272	1.4
70.18697	4.7
75.49576	1.4
81.55368	1.4
96.33983	1.4
101.24151	1.4
140.09009	1.6
149.55214	1.6
163.11288	100.0
164.11581	6.6
339.23340	59.3
340.23581	8.0
421.22433	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	421.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	13.1
61.98826	45.7
71.55358	16.4
71.55798	13.0
71.64481	14.0
73.34422	10.6
75.20827	11.1
75.60379	12.6
80.96526	32.8
107.25097	13.0
111.04430	11.4
130.01270	12.0
138.68349	14.0
148.22221	12.9
153.05559	23.8
207.35977	12.3
212.74399	11.9
236.29253	13.3
293.24368	12.6
371.49454	13.5
421.32492	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	422.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.8
61.98829	100.0
70.69827	1.7
71.01382	2.1
72.99310	1.4
73.02952	0.7
74.89059	0.6
75.00860	0.9
79.95717	0.8
81.03450	0.9
83.09750	0.7
89.02427	1.6
96.96031	1.3
100.95125	0.7
101.02434	1.4
119.04939	0.8
128.03662	0.7
135.04543	2.8
135.80733	0.6
163.04042	3.2
181.05078	8.4
223.06152	1.8
261.00714	1.5
302.90637	0.7
308.18805	0.7
423.06006	12.6
423.11530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38278	0.7
52.94157	0.6
53.21312	0.5
54.36173	0.7
56.85861	0.6
59.01378	11.3
61.98830	100.0
71.01379	4.4
71.04229	0.9
71.04546	0.9
73.02960	1.2
75.00843	1.1
78.91910	0.7
80.91701	1.8
85.02954	1.6
89.02464	1.8
101.02460	2.4
113.02473	1.7
119.03536	0.8
121.02959	0.7
125.02447	1.9
126.02798	1.0
128.03525	0.8
137.02397	1.2
143.03529	0.7
149.02483	0.7
150.03249	0.8
150.05602	1.6
161.02464	1.1
161.04605	1.4
165.01904	0.6
165.05569	1.3
177.02078	1.1
178.02242	0.9
178.05196	0.7
179.03487	1.7
180.03986	0.6
182.46971	0.7
195.06715	1.4
197.04608	2.5
198.05006	2.1
225.07744	0.9
255.11591	0.8
257.09457	0.8
267.11404	1.4
284.06537	1.1
285.12637	1.6
287.10184	1.0
311.10352	1.9
314.07657	0.8
329.11594	2.2
331.09274	1.0
347.12497	0.7
351.13785	0.7
363.16562	4.6
416.70554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01068	1.5
59.01378	25.4
61.98830	100.0
64.14520	1.3
71.01383	10.6
71.56055	2.4
72.99303	1.4
73.02926	3.1
75.00867	2.0
78.95949	1.1
80.91686	2.1
85.02943	3.8
87.00903	1.6
89.02448	6.8
93.03423	1.6
94.03864	1.2
97.02941	1.1
99.00863	1.9
101.02444	6.3
113.02428	3.9
113.27169	1.3
119.03491	1.5
121.02999	1.5
122.06114	1.6
124.04785	1.4
124.07806	1.1
125.02434	4.8
126.02789	2.9
128.03528	3.8
137.02444	3.0
145.02930	2.6
149.02477	2.2
150.03197	3.3
150.05573	4.3
151.03996	3.2
153.05539	1.7
160.04131	1.5
161.04575	3.8
165.01872	4.2
165.05504	3.8
166.02518	1.5
166.05908	2.3
178.02286	1.5
179.03505	2.9
179.05626	1.6
180.04167	2.9
181.04999	1.3
195.06609	4.3
195.92686	1.3
197.04579	5.6
198.04909	3.7
205.07162	1.4
225.07610	3.4
232.40027	1.3
243.11343	1.4
255.11206	1.3
256.06955	1.1
260.09454	1.4
260.12827	1.3
267.11343	3.6
284.06528	1.5
285.12415	4.9
287.10333	1.5
301.07407	1.2
303.13425	1.7
311.10406	3.3
314.07858	1.8
329.11398	4.5
331.12173	1.8
336.44571	1.4
347.12408	2.1
363.16425	8.6
364.09161	1.2
371.25046	1.3
373.09888	1.8
375.13879	1.5
423.13596	2.1
423.18506	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	423.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.3
55.22105	1.1
57.03442	3.5
59.01374	28.1
67.37737	1.3
69.43691	8.9
71.01377	7.7
73.02963	1.4
73.16415	1.2
75.74875	1.1
78.95899	2.4
80.76879	1.1
83.01385	15.3
85.02946	10.4
85.19374	1.4
87.00879	9.7
95.01352	1.9
99.00874	3.1
111.01991	1.8
113.02416	1.5
115.00368	19.0
129.01950	2.2
130.32971	1.2
157.01413	16.2
175.02464	36.0
176.02722	1.5
217.03510	100.0
218.03821	5.1
352.49899	1.3
423.25308	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
57.03460	1.6
58.00594	0.7
59.01379	100.0
60.01735	0.9
61.98819	0.9
69.42722	6.1
71.01379	28.6
72.99301	1.5
73.02946	16.8
75.00850	1.0
83.01384	5.9
84.39358	0.7
85.02943	19.3
86.00099	1.1
87.00898	3.0
87.04521	0.8
89.02465	5.1
95.01427	2.1
96.97036	0.8
97.02944	1.7
99.00876	4.5
101.02442	37.5
103.04036	2.9
113.02444	13.8
113.03139	1.0
115.04025	1.0
119.03529	1.1
125.02456	2.3
129.02028	0.8
131.03528	1.4
131.45540	0.9
134.72131	0.8
143.03514	3.0
159.03035	3.1
161.04555	9.8
163.06107	1.0
205.07352	0.9
217.10860	2.1
235.11850	51.2
236.12244	3.5
277.12991	1.3
381.17633	72.7
382.17841	7.1
423.18915	8.1
424.19064	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84145	0.9
55.01884	1.9
57.03439	1.6
58.00612	1.6
59.01381	100.0
61.98819	1.9
69.03498	1.0
69.30160	3.5
69.30586	4.4
71.01387	31.7
72.99351	1.6
73.02950	15.9
78.50162	1.0
83.01386	8.4
85.02950	19.1
85.72961	0.9
86.00096	1.3
87.00865	3.4
87.04530	1.1
89.02431	5.9
95.01389	1.7
97.02948	1.6
97.67590	0.9
98.19823	1.9
99.00883	7.0
101.02446	33.5
103.04033	2.2
113.02454	16.5
119.03463	1.1
125.02441	2.8
129.01970	1.0
143.03484	4.0
150.05659	1.4
159.02989	3.9
161.04564	12.8
163.06078	1.3
197.37480	0.9
217.10876	2.0
235.11868	50.1
236.12279	2.4
255.23984	1.0
271.68781	0.9
277.12906	2.4
285.12433	1.9
381.17651	83.2
382.18021	11.2
387.94675	1.0
423.18811	10.6
424.18896	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	423.2541
Annotation	Lygodinolide
Peak:m/z	Relative Intensity
52.08105	2.8
53.33850	2.3
57.89196	2.6
58.78937	2.5
58.85824	2.4
59.01363	8.6
61.98834	3.4
70.41765	10.0
78.40658	2.9
93.32969	2.6
108.02159	4.9
109.02929	3.8
109.06612	3.6
113.02449	2.9
119.05049	3.2
121.02966	5.9
122.03706	5.4
123.03616	4.5
123.04525	93.4
123.08142	5.6
124.04890	3.8
136.05252	5.5
137.06100	5.8
137.09647	2.6
149.02405	4.1
149.06091	4.6
150.03215	14.7
151.03989	8.7
152.04855	3.2
157.06564	4.8
164.04744	5.5
165.05505	6.1
173.06046	5.2
175.07668	30.8
176.08356	8.3
178.06381	6.3
185.06059	3.7
187.07669	2.9
189.09200	9.4
202.10043	5.5
203.07109	11.7
217.08684	4.3
217.12273	3.1
218.09476	53.5
219.09856	6.6
255.23262	14.8
257.19205	3.5
311.16855	10.8
361.25775	3.2
363.23306	3.6
379.26257	4.5
381.24316	15.6
395.25830	9.6
405.24289	17.5
406.24786	3.7
415.55194	3.2
423.25366	100.0
424.26041	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	424.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24334	0.4
59.01369	1.1
61.98820	0.8
70.18388	1.8
77.31203	0.4
78.95905	17.2
92.15564	0.4
122.00121	0.7
140.01207	4.8
152.99553	1.1
159.60356	0.4
191.16026	0.4
193.48349	0.4
196.03806	9.6
207.29182	0.4
214.04883	1.9
226.94464	0.4
227.20171	100.0
228.20499	9.0
239.50658	0.4
382.79504	0.4
424.24707	18.8
425.24796	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	425.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01725	1.9
61.98832	8.3
65.90772	1.2
71.01368	2.1
71.56685	2.6
73.41021	1.3
80.19307	1.2
80.65763	1.4
85.02921	1.5
87.00874	2.3
91.05540	4.7
113.02435	2.2
117.07081	1.9
133.06607	2.8
135.04491	1.7
142.12636	1.3
161.06065	5.3
163.04005	5.0
175.02403	4.1
215.09509	1.6
219.05093	9.8
223.06094	12.2
425.17865	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	425.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16298	1.0
57.03431	3.0
58.00593	1.2
59.01378	100.0
61.98806	3.5
64.00520	0.9
69.56954	3.4
69.57379	3.6
70.13013	1.0
71.01382	12.8
72.99285	1.5
73.02948	2.8
75.25031	1.1
78.95923	1.0
83.01381	4.8
85.02941	3.4
87.00875	30.2
99.00834	1.1
101.02438	2.0
111.00867	2.3
113.02446	3.0
115.00374	44.4
117.28218	1.0
125.00832	1.0
127.00405	1.5
131.03584	1.4
133.79465	1.0
139.00333	4.5
157.01424	16.0
161.13379	2.8
163.11215	1.3
170.29839	1.1
175.02469	79.9
176.02823	2.6
178.51056	1.0
207.10216	2.9
216.96429	1.3
217.03520	2.1
223.13385	54.1
224.13651	4.8
267.12372	24.6
268.12689	2.0
278.80725	1.2
306.20105	1.0
336.58176	1.1
353.85696	1.0
377.47299	1.0
425.09064	1.6
425.14523	26.2
426.14807	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	425.1817
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
54.49861	3.4
56.04141	3.5
59.01382	17.5
61.98833	5.8
63.96588	3.4
71.01385	7.0
71.05013	3.7
73.02924	4.5
75.00892	7.6
77.01666	3.7
78.11756	3.9
83.05035	5.1
85.02946	8.1
95.05045	4.3
97.02942	12.6
105.07160	3.8
107.05080	3.8
108.05824	10.9
109.02951	4.0
111.04548	10.6
113.06099	12.8
122.03751	8.5
123.08178	7.4
125.06099	23.8
136.05305	14.0
138.06859	8.6
139.07671	35.3
151.07645	73.7
152.04787	9.0
152.08459	30.4
153.09195	14.0
163.07642	12.7
183.24782	3.5
189.05383	4.0
189.09190	5.1
201.12843	23.1
203.10820	11.6
204.11577	36.9
219.13860	69.6
220.14240	5.3
245.11856	8.1
263.12872	100.0
264.13205	9.9
287.12793	9.4
305.13831	3.7
377.16537	3.8
410.44913	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	425.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34571	3.1
59.01381	100.0
61.50342	3.5
61.98836	50.8
62.11130	3.1
63.08096	3.5
70.02229	9.7
71.01386	44.7
73.02954	7.4
75.00872	3.4
83.01405	4.2
85.02942	14.3
87.00875	6.2
89.02451	42.9
95.01386	5.3
98.19821	4.6
99.00854	6.2
101.02442	31.1
113.02451	21.1
115.50518	3.5
119.03496	18.8
131.03482	7.2
143.03496	5.8
157.64119	3.9
161.04549	20.1
179.05598	10.7
203.12814	4.2
221.06584	5.3
277.12790	5.7
363.84009	4.0
365.18118	75.6
366.18530	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	425.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70570	2.8
59.01375	8.5
61.98833	11.1
69.29937	26.0
71.01383	8.4
73.37405	3.1
81.04915	3.0
83.05008	6.5
89.36181	3.1
98.20665	6.2
99.00924	3.8
115.66904	3.7
129.01956	8.3
142.52061	3.7
142.56302	3.1
145.25861	3.3
147.03020	22.7
161.25519	3.0
164.89594	5.2
277.21732	100.0
278.22095	9.1
329.09717	3.2
340.20358	7.8
382.52344	3.5
425.17697	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	427.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.5
69.34605	2.0
69.35025	3.9
71.01385	4.8
71.30109	0.7
73.02946	9.5
83.01380	1.9
87.00909	1.1
89.02499	1.0
91.05530	12.0
101.02444	3.5
113.02406	1.3
115.05521	1.2
117.07108	54.4
118.07438	3.1
122.50555	0.7
133.06599	1.6
135.04532	0.9
150.07394	0.6
161.06078	100.0
162.06444	5.6
179.07109	0.8
187.03989	2.0
191.77527	0.6
205.05052	64.3
206.05379	4.9
239.28677	0.8
243.39563	0.7
383.13498	2.2
387.21304	1.0
427.06659	1.4
427.12390	24.8
428.12668	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	427.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.5
66.78008	0.5
68.97348	0.4
71.01392	3.6
71.33131	0.8
73.02946	1.3
77.07616	0.4
82.04886	0.5
83.01418	0.6
84.30234	0.5
85.02947	1.4
89.02468	3.0
91.05534	11.4
95.01412	0.7
101.02453	3.7
113.01745	0.6
113.02408	3.2
115.05541	2.2
117.07109	55.7
118.07437	2.5
119.03481	2.7
130.66599	0.5
133.06604	2.1
135.04555	0.8
161.06082	100.0
162.06425	5.6
179.07089	0.6
187.03979	4.8
205.05055	58.7
206.05388	2.8
219.57811	0.5
227.78008	0.5
232.00389	0.5
283.77554	0.5
341.12390	1.3
407.93826	0.5
427.12341	11.9
428.12933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12703	0.5
57.03431	0.5
59.01379	10.2
66.47301	0.6
69.19005	5.5
69.19408	1.0
71.01380	5.1
73.02962	2.3
75.16248	0.5
83.01401	0.8
85.02957	3.8
87.00898	0.9
89.02448	2.0
91.05531	11.7
91.50980	0.5
95.01413	1.3
98.19894	1.0
101.02425	3.0
113.02463	5.9
115.05566	1.1
117.07109	52.1
118.07448	2.5
119.03510	0.6
133.06598	1.7
133.38565	0.7
136.76987	0.5
161.06091	100.0
162.06425	5.7
179.07092	0.9
187.03906	0.8
188.78316	0.5
205.05060	63.1
206.05391	4.6
361.93549	0.7
383.13153	0.8
427.12430	21.2
428.12869	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	427.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.0
59.01380	17.3
61.98835	3.5
69.33500	0.7
69.64693	1.7
69.65090	4.3
71.01380	8.4
72.32282	1.0
73.02954	3.8
83.01384	1.8
85.02959	6.4
87.00884	1.0
89.02460	2.3
91.05528	8.1
95.01400	1.3
97.59048	0.8
98.02379	0.9
101.02457	6.3
102.05609	1.6
111.00892	1.0
113.02433	4.7
117.07108	49.7
118.07392	2.1
119.03531	1.1
128.03506	5.5
131.03513	1.1
133.06612	1.6
142.62614	0.7
146.01709	0.8
146.04584	0.9
147.04486	1.9
152.08463	1.0
155.08310	0.9
161.06078	100.0
162.06372	5.2
165.05615	2.3
174.01700	4.1
179.07124	1.3
179.10739	1.5
187.03992	1.8
188.04729	3.1
203.07132	3.5
205.05051	70.6
205.12294	2.6
206.05351	4.7
265.05533	1.3
292.11130	0.9
307.08258	2.5
400.90732	0.9
427.12381	23.3
427.18094	1.5
428.12747	2.8
428.20218	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	427.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.8
65.38821	0.5
69.42665	2.8
69.43079	1.1
71.01389	5.1
73.02953	1.3
83.01416	0.5
85.02957	2.3
89.02437	2.3
91.05541	8.0
91.06059	0.8
95.01392	0.7
101.02438	3.1
113.02455	2.7
115.05542	2.0
117.07109	56.4
118.07439	3.2
119.03502	1.7
125.35649	0.4
133.06570	1.3
135.04517	0.9
143.03384	0.5
161.06081	100.0
162.06444	5.9
179.31793	0.4
187.03989	4.5
191.10133	0.5
205.05052	59.6
206.05415	4.1
240.07648	0.4
341.12424	1.4
385.11334	0.5
427.12460	11.9
428.12756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.0
61.98824	0.6
66.75874	0.3
69.21025	4.0
71.01389	4.0
72.99321	0.6
73.02945	1.3
80.01589	0.4
83.01382	0.6
85.02955	1.3
89.02445	2.1
91.05533	8.8
92.05824	0.4
93.03419	0.4
95.01350	0.4
96.95956	0.4
99.00822	0.4
99.82184	0.4
101.02448	3.1
113.02428	3.0
115.05541	2.1
117.07106	56.8
118.07430	2.4
119.03498	1.7
133.06581	1.2
135.04471	0.4
147.12848	0.4
161.06081	100.0
162.06435	5.8
178.25568	0.4
179.07112	0.4
187.04016	4.8
189.78818	0.3
191.95177	0.3
195.13611	0.4
205.05052	58.8
206.05414	4.3
229.89355	0.3
341.12451	1.0
385.11316	0.5
427.12448	12.2
428.12933	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	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	100.0
59.01380	92.6
59.89156	1.4
60.09602	1.7
61.98828	5.1
66.02773	1.7
71.01385	16.1
71.08090	4.7
73.02952	2.7
81.03436	2.8
85.02969	4.5
89.02450	13.9
99.04524	78.8
99.05174	3.8
100.04859	2.9
101.02447	24.7
113.02451	12.7
119.03513	4.3
125.02449	36.4
143.03543	3.4
161.04602	3.4
167.09267	1.7
179.05661	3.4
184.48001	1.6
205.12372	5.5
245.22833	1.9
261.55005	1.8
316.39600	2.1
364.34589	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11259	0.4
57.03441	0.8
59.01381	100.0
60.01720	0.9
61.98832	8.3
69.03452	0.7
71.01388	1.5
73.02957	1.2
75.00891	0.9
76.54638	0.4
78.95920	1.7
83.01458	0.4
85.02960	0.9
86.34565	0.4
89.02472	0.6
93.13470	0.5
98.19908	0.8
99.03121	0.4
101.02466	1.4
111.08161	3.2
113.02494	0.6
121.02957	8.1
125.02489	0.8
131.26874	0.4
135.04541	0.5
148.05315	7.3
151.11343	0.8
152.99600	0.6
161.04643	0.4
163.03932	0.9
163.07655	5.9
163.26738	0.5
164.08171	0.4
168.00716	0.6
176.17496	0.4
179.14395	1.6
205.76628	0.5
223.13396	5.0
226.62427	0.4
297.17093	1.0
427.12540	1.0
427.19147	0.9
428.20532	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.5
56.93439	0.5
57.03448	1.6
59.01379	100.0
60.01689	0.9
61.98820	2.6
64.67506	0.7
69.85448	1.8
71.01382	16.5
73.02953	5.5
73.78833	0.5
83.01382	3.8
85.02949	6.8
87.00895	1.3
88.98824	1.6
89.02451	3.8
95.01415	2.3
95.05033	0.6
97.02939	1.5
99.00901	1.6
101.02445	4.9
111.00894	0.9
113.02460	9.9
117.07121	1.7
119.03529	0.7
125.06122	0.8
136.05339	1.5
138.06885	4.5
139.00377	1.3
139.07649	1.2
151.07643	4.4
152.08435	13.5
153.09215	23.5
154.09579	1.3
157.01491	0.8
161.04604	3.5
161.06133	2.3
161.09740	0.7
163.03999	0.6
165.09212	1.6
167.07254	0.6
174.01810	0.9
188.04828	0.7
189.09262	0.6
203.07204	1.7
205.03442	0.6
205.05040	2.6
205.12320	11.1
205.14047	0.9
206.12686	1.3
216.67262	0.7
223.13451	2.0
244.99855	0.5
267.90512	0.7
287.96921	0.6
367.17603	8.9
368.18250	1.2
379.10303	1.2
385.18958	1.6
427.12680	1.5
427.20203	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01694	1.2
61.98837	5.4
69.03445	1.4
69.25096	4.7
69.25529	2.7
71.01382	21.5
72.99297	3.6
73.02946	13.5
75.00852	1.4
80.74614	0.7
83.01381	4.1
85.02934	7.1
87.00864	1.3
89.02449	5.8
95.01378	2.1
95.04990	1.6
97.02944	1.8
99.00866	1.5
101.02449	12.9
105.07104	1.0
108.16363	0.7
109.06602	1.5
113.02453	9.6
113.06104	1.7
119.03483	1.1
123.08146	1.8
125.02387	0.9
129.34505	0.8
131.03511	0.8
136.05296	2.7
137.06111	0.9
138.06862	11.4
139.07651	3.3
143.03459	1.6
151.07661	9.5
152.04794	1.2
152.08434	22.6
153.09216	61.4
154.09523	3.3
161.04498	4.0
161.05876	1.3
162.73439	0.8
163.11235	0.8
165.09167	2.5
167.07112	0.9
176.79710	0.7
178.80083	0.8
179.10846	0.8
189.08878	0.6
190.10001	2.2
205.12329	21.5
206.12640	1.0
219.47791	0.9
223.13347	6.9
244.11301	0.8
249.14951	1.1
349.16360	0.9
363.48022	0.9
367.17514	4.6
385.18631	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09449	2.8
53.29778	2.7
59.01382	100.0
61.98817	3.6
63.41496	3.2
85.46464	2.7
92.45818	3.1
94.69263	2.8
98.20661	7.3
111.61739	2.5
115.20248	2.9
293.21082	4.4
427.28479	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	427.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09449	2.8
53.29778	2.7
59.01382	100.0
61.98817	3.6
63.41496	3.2
85.46464	2.7
92.45818	3.1
94.69263	2.8
98.20661	7.3
111.61739	2.5
115.20248	2.9
293.21082	4.4
427.28479	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30406	1.2
59.01380	100.0
61.98802	2.1
67.52918	1.2
70.41248	2.3
70.41628	2.7
90.96826	1.2
91.04001	2.7
116.71548	1.2
127.60361	1.3
202.79581	1.2
275.20184	1.4
293.21140	10.2
294.21759	1.7
338.42218	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
58.00591	2.8
59.01379	100.0
69.03455	1.4
71.01382	45.2
72.99318	4.8
73.02949	16.4
83.01367	2.5
85.02955	14.7
86.00101	2.3
87.00871	11.1
87.04523	3.3
89.02448	51.7
95.01400	2.5
98.19814	1.8
99.00901	1.2
101.02446	35.3
103.04016	11.6
104.35529	0.8
113.02447	16.7
115.04006	9.3
119.03506	22.6
131.03508	9.9
143.03511	15.7
145.05042	3.0
149.04474	1.1
161.04521	4.3
163.06123	29.0
164.06384	1.0
171.26363	0.8
179.05663	5.3
205.05234	1.5
205.07156	24.7
206.07585	1.3
247.08240	5.0
251.13696	0.8
283.11749	1.4
294.17133	0.8
294.40143	0.8
429.13461	0.8
429.17722	9.3
430.17590	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39421	1.1
57.03440	4.3
59.01377	100.0
60.01706	1.5
60.35789	1.0
61.98826	1.2
65.56921	1.0
69.65296	5.9
71.01379	20.2
72.99304	4.2
73.02937	6.1
83.01382	4.1
85.02943	6.1
87.00877	6.9
89.02442	20.8
90.35918	1.1
94.30331	1.0
95.01389	1.5
97.06596	6.0
98.20696	1.2
101.02435	9.8
102.85840	1.2
107.05026	15.5
113.02424	6.4
119.03508	5.9
120.05779	2.0
121.06586	1.7
131.62305	1.1
135.04494	3.4
143.03479	2.2
147.74699	1.1
159.08109	1.3
159.11781	1.3
161.04549	2.5
161.09744	11.2
161.13348	5.6
163.06110	1.6
163.11308	1.9
179.05539	1.7
187.11264	16.3
189.09290	5.8
197.11491	1.0
203.10672	2.0
205.07115	1.4
205.12367	6.3
207.10239	3.7
223.13385	68.9
224.13768	5.4
229.08492	1.9
229.12305	2.5
249.11377	6.6
267.12350	60.4
268.12628	2.4
291.12372	1.5
309.13510	1.8
429.17389	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	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.5
57.03453	2.4
59.01382	100.0
60.01722	1.4
69.25103	11.9
71.01385	21.5
72.99321	1.8
73.02946	4.6
79.30772	1.0
83.01401	2.9
85.02968	4.7
87.00873	3.7
89.02450	16.6
95.01435	2.0
97.06583	2.9
101.02464	9.3
107.05054	6.6
113.02459	11.8
119.03506	7.1
120.05765	1.9
121.06593	21.5
131.03473	1.8
135.04536	1.4
143.03491	2.0
161.04579	8.7
161.09680	4.7
161.13347	3.5
179.05641	2.0
187.11288	7.3
189.09239	2.0
203.10730	1.6
205.12296	3.1
207.10225	4.0
212.30894	1.1
223.13400	38.1
224.13620	3.1
249.11284	3.3
256.70724	1.4
267.12387	32.9
283.11838	1.6
309.13422	1.9
347.81894	1.1
369.15436	1.2
429.08054	1.3
429.17273	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	429.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12225	0.8
53.26238	0.9
57.03450	3.3
57.57806	0.8
58.00601	1.2
59.01381	100.0
60.01714	1.8
61.98826	1.4
66.94183	0.7
69.25084	7.3
71.01386	12.5
72.99317	1.4
73.02964	3.2
81.97873	0.8
83.01411	2.9
83.05038	0.9
85.02975	3.1
87.00902	2.6
89.02454	13.3
95.01447	0.9
97.06561	1.5
98.19936	1.5
101.02454	6.7
107.05019	4.1
113.02461	5.6
119.03480	5.0
131.03543	0.8
143.03523	1.3
149.04601	1.0
161.04570	2.4
161.09743	3.1
161.13359	1.7
163.11343	0.9
166.32663	0.8
167.03503	0.8
174.26071	0.7
179.05652	2.6
182.07704	0.8
187.11226	5.5
189.09259	1.0
205.12459	2.3
207.10374	2.2
223.13403	30.9
224.13840	2.3
249.11449	2.6
267.12378	39.8
268.12750	2.5
309.03989	1.2
309.13406	1.2
369.15402	1.5
429.16876	1.1
429.21722	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92769	0.8
57.03447	3.7
59.01380	100.0
61.98816	1.3
69.19171	6.2
69.19595	3.0
71.01379	15.4
71.05020	1.3
71.63240	0.9
72.99310	1.1
73.02946	2.8
80.71255	0.7
83.01377	2.7
83.05012	1.2
83.37302	0.7
83.38609	0.8
85.02949	3.4
87.00878	5.7
89.02446	15.4
93.03467	0.9
95.01382	1.4
95.05006	0.9
97.06589	6.6
99.04478	0.9
101.02448	7.4
107.05038	15.6
113.02464	7.5
119.03513	4.8
120.05797	2.2
121.06632	1.1
131.03574	1.0
135.04518	3.0
141.05534	1.5
149.04530	0.8
159.08148	1.2
161.04532	1.4
161.09705	11.7
161.13370	5.5
163.11273	2.5
165.09196	3.7
179.05588	1.9
187.11295	14.3
188.11642	1.5
189.09212	5.3
203.10756	2.8
205.12296	5.5
207.10222	3.8
223.13391	67.3
224.13803	4.7
229.12257	1.5
231.10262	0.9
249.11308	7.4
249.26093	0.8
255.02914	1.2
267.12372	68.2
268.12766	5.7
293.83209	0.8
309.13394	0.9
429.08179	1.0
429.17456	8.1
430.18118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.7
64.65846	0.1
71.04241	0.4
83.36513	0.1
99.00857	0.2
99.92581	5.1
100.92691	0.2
100.93363	3.7
107.55801	0.2
113.92652	0.3
115.92076	100.0
116.92083	6.2
116.92867	5.8
117.92653	0.3
132.92329	1.1
142.94487	0.2
172.95461	5.0
173.95583	0.3
255.23274	0.8
290.56274	0.2
325.02524	0.2
355.15878	0.6
371.15161	0.2
381.17212	0.8
381.29324	0.2
411.18262	0.2
429.19455	3.7
429.33850	0.5
430.19653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	10.3
61.98822	3.6
71.01372	5.6
72.99307	0.9
73.02945	2.8
73.04076	25.8
74.02477	1.6
80.05064	1.2
83.01402	1.1
84.04549	4.6
84.05728	0.9
85.02943	3.4
87.00900	2.1
88.04077	1.2
89.02448	2.6
95.01404	1.3
101.02447	3.1
102.05615	41.7
113.02452	1.8
115.00321	1.3
115.08779	2.2
116.91037	1.1
119.03486	1.4
121.02921	1.1
123.04476	1.0
128.03546	100.0
129.03860	2.1
129.10332	6.7
130.08737	12.5
131.03517	1.0
139.08752	4.1
140.05930	1.6
140.07146	3.5
141.10310	2.4
143.11879	1.8
146.04597	26.8
155.08292	1.3
155.11913	2.6
162.03247	4.0
169.09793	6.1
171.15070	7.3
175.02394	1.4
180.04303	9.1
187.10867	3.2
195.06644	12.3
195.15105	1.1
197.12920	1.4
197.16493	1.0
199.18141	3.8
199.47052	1.1
207.15051	1.6
208.13460	1.7
215.13982	3.7
224.17673	2.1
225.16071	3.3
238.19118	2.7
241.11787	0.9
242.18790	1.7
256.20276	2.6
259.13055	1.1
281.19855	3.8
284.23474	5.8
298.63120	1.1
300.19269	27.9
301.19586	2.6
380.77707	1.0
385.24612	8.0
393.17563	1.8
411.22861	1.5
429.23495	85.4
430.23706	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	429.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68728	0.6
52.11314	0.8
59.01381	100.0
60.01713	0.8
61.98834	1.2
68.17852	0.6
68.88221	0.7
69.28182	5.0
69.85139	0.6
70.07362	0.8
71.01381	1.2
89.02448	1.2
91.04034	1.7
92.58558	0.7
93.03459	1.0
98.20644	1.4
101.02444	0.7
148.25319	0.7
152.16998	0.7
152.96425	0.8
161.04573	0.7
168.81873	0.7
169.11627	0.6
183.38663	0.7
245.99367	0.7
295.22763	8.5
296.23102	0.9
358.63327	0.7
379.68164	0.7
383.58829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
60.01731	1.3
62.57848	1.2
71.55869	2.0
89.10808	1.5
91.04003	2.3
91.06056	1.2
180.06485	1.5
222.75583	1.3
295.22797	12.4
387.71603	1.6
423.86963	1.3
429.30569	2.0
436.26596	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37430	0.4
59.01379	5.0
61.98830	100.0
70.73383	0.9
71.01395	1.2
78.64898	0.4
78.82760	0.3
85.02961	0.4
89.02476	1.0
99.00924	0.4
101.02460	0.6
113.02442	0.5
119.03539	0.7
123.04532	0.9
128.56181	0.4
143.03520	0.4
145.02939	0.4
283.06079	0.4
285.48819	0.4
311.05649	0.8
443.42020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40694	1.1
59.01381	33.8
60.99047	1.3
60.99313	14.6
61.98822	8.2
67.28104	1.0
70.72169	2.6
70.72507	1.9
71.01389	8.3
72.99300	1.5
74.02444	1.9
83.01393	2.0
85.02955	2.0
85.84293	1.4
87.00932	1.2
88.04025	1.3
88.98808	100.0
89.02443	11.4
91.86103	1.0
95.01364	2.2
99.32917	1.2
101.02431	6.0
108.02155	1.6
113.02463	3.9
115.00334	1.1
119.03493	5.6
123.04507	3.4
125.02452	2.1
128.03481	1.5
128.92653	1.2
133.02942	3.3
135.04561	1.5
137.02473	1.1
148.90932	4.6
152.01141	1.6
161.02438	17.1
161.04497	1.4
179.03438	4.9
179.05583	1.6
179.85063	1.2
195.06577	1.2
208.92990	1.6
209.08083	3.5
222.92517	9.2
224.94086	3.1
234.96461	1.3
250.91939	3.9
251.09273	2.5
268.92953	3.1
268.95468	1.9
272.94467	1.2
312.30417	1.2
341.08701	6.8
396.17767	2.9
413.20447	1.5
430.98386	6.8
431.10791	1.6
431.16071	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37009	0.8
64.51425	0.7
69.46214	0.6
69.46770	5.6
69.47093	0.7
71.51477	0.7
72.24648	0.7
77.03970	2.5
79.01879	2.5
93.03458	3.2
105.03433	1.4
117.03457	14.0
119.04999	1.6
121.02947	4.3
133.02875	1.3
135.04482	2.4
149.02408	2.5
159.04507	4.0
161.02425	6.3
161.05341	0.9
163.00377	1.6
163.04039	4.2
165.01933	1.1
175.03891	0.9
183.04482	0.9
190.02550	0.8
191.03508	1.3
197.06020	1.2
203.03561	1.3
208.13795	0.7
211.07581	1.1
224.04915	0.9
225.05438	1.2
237.05292	1.0
239.07002	2.6
253.05302	0.8
257.33429	0.8
268.03821	3.1
269.04642	4.0
281.04477	5.2
282.05231	4.1
283.06110	61.9
284.06464	6.7
293.04532	2.3
295.06076	2.9
308.03305	1.2
309.03976	1.0
311.05600	100.0
312.05960	12.2
314.04337	1.5
323.05682	5.1
341.06656	14.3
341.10599	1.2
342.07190	1.1
431.09814	54.4
432.10056	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	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	12.0
64.52607	0.7
67.31424	0.7
70.66940	1.6
72.51450	0.7
75.15929	0.7
77.49748	0.7
83.67564	0.8
88.98805	100.0
89.02445	4.2
89.99102	1.1
112.62588	0.7
115.00325	0.9
175.02463	1.1
187.05489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.6
59.01101	1.1
59.01380	16.2
61.98825	2.2
68.99815	5.5
71.01385	4.5
73.02939	3.1
76.02430	0.7
78.32116	0.6
85.02938	1.8
88.98788	0.9
89.02446	3.2
92.76859	0.6
93.43281	0.7
94.52848	0.6
99.00880	17.0
99.89058	0.6
101.02451	3.1
109.85873	0.7
113.02441	2.2
117.49605	0.7
119.03473	0.6
161.04535	2.1
183.04440	0.7
198.73827	0.7
210.03220	5.5
211.03996	47.6
212.04350	3.1
224.04892	1.2
225.05566	6.5
226.05934	0.6
239.03499	10.0
240.03961	0.7
253.05115	7.0
254.05843	83.0
255.06187	6.9
268.07370	2.5
269.08185	100.0
270.08490	9.0
283.06180	1.7
311.05502	1.8
319.87451	0.7
321.04666	0.7
358.28543	0.7
431.13943	0.9
431.22925	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	431.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96951	0.2
53.92027	0.2
57.03465	0.2
58.00603	0.2
59.01377	24.6
60.00867	0.2
60.01713	0.3
65.40480	0.2
68.99808	0.4
69.40987	1.5
71.01382	6.2
72.99335	0.3
73.02944	7.6
83.01383	1.6
85.02952	1.1
88.98782	0.2
89.02448	2.0
95.01387	0.4
99.00889	1.1
101.02439	6.1
111.08125	0.4
113.02451	3.1
119.03516	1.0
125.02390	0.2
128.61829	0.2
131.03503	0.6
137.02455	0.2
138.88696	0.2
143.03506	0.8
149.04514	0.4
153.09209	2.6
161.04517	1.1
163.03992	0.3
170.51202	0.2
171.81967	0.2
173.81369	0.2
179.05508	0.2
209.15469	2.0
210.03230	0.7
211.03987	43.3
212.04353	2.8
221.06750	0.2
226.06139	0.2
227.03491	0.2
227.16490	0.3
238.02762	0.4
239.03485	26.8
240.03790	2.1
240.05945	0.3
245.93924	0.2
253.05061	2.3
254.05829	90.4
255.06171	8.1
268.07364	0.2
269.08176	100.0
270.08511	9.7
284.03281	0.3
311.05615	0.4
371.20752	0.7
389.21774	0.6
411.05234	0.2
431.13611	5.7
431.22791	0.7
432.13736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1347
Annotation	Dihydroformononetin 7-O-glucoside
Peak:m/z	Relative Intensity
58.13982	0.3
59.01380	4.1
60.27714	0.3
61.98818	1.2
69.37193	1.6
69.37601	0.5
70.40739	0.3
71.01379	0.6
72.34631	0.3
83.29497	0.3
85.02938	0.5
89.02453	0.4
97.17642	0.3
99.00903	0.4
163.04018	0.4
189.29736	0.3
210.03267	1.3
211.03996	44.4
212.04352	3.2
226.35884	0.3
238.02689	0.9
239.03488	26.9
240.03812	1.4
253.05023	3.9
254.00351	0.7
254.05833	89.0
255.06155	7.8
269.08179	100.0
270.08524	9.4
270.10913	0.2
283.05978	0.5
290.46405	0.3
311.05646	0.9
431.08694	0.4
431.13614	4.9
432.13998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.26835	0.9
61.98830	2.1
71.01375	4.0
73.02944	2.5
80.26859	1.0
87.00880	2.4
88.98819	1.4
89.02450	2.5
101.02428	3.8
103.04010	1.2
106.53308	1.0
113.02495	1.6
119.03494	1.0
120.56171	1.0
123.04520	4.2
125.02443	2.0
143.03525	1.0
161.02452	2.7
161.04529	1.9
163.06122	3.2
176.04796	2.4
179.03491	4.7
179.97592	0.9
194.05838	6.6
209.08179	16.0
211.21846	1.0
431.15543	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	431.1556
Annotation	Zizybeoside I
Peak:m/z	Relative Intensity
55.01879	8.0
57.03455	8.5
58.00572	1.6
59.01378	71.1
61.98829	3.9
69.03458	2.0
69.20215	5.6
69.20631	7.0
71.01380	100.0
72.01712	1.7
72.99298	4.0
73.02950	29.9
75.00869	2.9
80.91680	3.9
83.01392	17.4
85.02953	45.2
87.00874	7.4
88.98796	3.6
89.02442	24.8
95.01384	8.1
97.02941	4.4
99.00879	13.7
99.04531	1.8
101.02444	83.9
102.02777	1.8
103.03979	3.2
112.01662	1.4
113.02448	45.6
119.03495	9.0
123.04519	5.0
124.01600	1.4
125.02446	9.0
131.03482	2.2
143.03484	4.1
153.05528	1.3
159.02986	6.4
161.03239	2.6
161.04561	46.5
163.06117	3.2
167.99121	1.2
168.00601	3.0
179.05663	1.8
193.39900	1.4
203.06982	1.8
205.03525	1.7
221.06636	2.4
269.10306	46.1
270.10602	3.3
279.97763	1.3
431.15561	49.3
432.15979	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	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27008	0.2
55.61326	0.2
59.01383	2.2
61.98821	0.4
62.96397	0.4
66.42490	0.2
70.22268	0.8
78.95905	56.9
80.91833	0.2
96.96963	6.3
109.70276	0.2
117.03550	0.2
145.02948	0.4
146.03729	2.1
150.97995	1.9
152.99586	100.0
153.99931	1.8
161.06091	2.1
171.00638	4.5
212.04903	0.4
254.74539	0.3
255.06636	0.6
277.21799	0.5
283.05975	0.2
295.23013	0.2
311.05487	0.2
392.63763	0.3
431.09396	0.2
431.15598	0.5
431.21945	4.7
431.31512	0.5
432.22534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05819	0.2
59.01365	0.7
62.96403	0.5
70.21915	0.2
70.22266	0.7
78.95903	49.8
86.43400	0.2
96.96959	6.0
101.97570	0.2
105.58534	0.2
110.83624	0.2
112.51964	0.2
120.17848	0.2
145.02963	0.2
150.98036	1.9
151.29980	0.2
152.99586	100.0
153.99899	1.7
171.00627	4.1
192.63127	0.2
277.21796	0.8
431.21994	4.6
431.31564	0.7
432.22311	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24091	0.3
59.01378	2.2
61.98851	0.3
62.96403	0.4
66.10362	0.4
70.06556	0.3
78.95906	73.9
96.96967	6.3
101.94944	0.3
124.75829	0.4
141.83031	0.3
145.02939	0.6
150.98003	1.9
152.99597	100.0
153.99960	1.8
171.00658	2.8
181.11005	0.3
229.56129	0.4
233.07007	0.3
233.88795	0.3
277.21753	0.9
419.33090	0.3
431.22028	8.8
432.22403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03436	0.4
58.00588	0.9
58.52002	0.4
59.01380	100.0
60.01713	1.6
61.98839	1.0
68.99814	4.9
69.03461	0.9
71.01380	26.1
71.04975	0.4
71.35110	0.4
72.01742	0.5
72.99315	1.2
73.02947	30.5
74.03267	0.5
75.00867	0.6
76.85603	0.4
83.01382	8.2
85.02946	4.6
86.62045	0.4
87.00885	0.9
88.98808	0.6
89.02446	8.8
95.01395	1.2
97.02961	0.5
99.00886	15.1
101.02444	26.8
102.02812	0.7
111.08180	1.2
113.02444	12.2
117.03412	0.5
119.03497	3.9
125.02431	1.2
130.78935	0.4
131.03531	2.8
135.02948	0.7
143.03493	2.4
149.04558	2.3
153.08044	0.8
153.09207	10.2
154.09569	0.5
155.03520	1.1
161.04556	7.1
163.04106	0.6
179.05608	1.4
191.14354	0.5
203.05560	0.7
209.15446	8.4
210.03116	0.5
210.15860	1.0
211.03992	46.4
212.04375	3.1
227.03401	0.6
227.16415	1.0
238.02762	0.7
239.03482	25.4
240.03911	2.3
253.05022	2.1
254.05832	87.5
255.06148	7.0
269.08179	98.3
270.08514	9.1
283.06210	1.2
311.05554	2.3
312.05930	0.6
330.35080	0.4
331.17426	0.7
344.30307	0.5
371.20660	3.1
389.21902	2.0
431.13745	6.6
431.22794	1.4
432.13965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67728	0.3
59.01376	0.7
67.90404	0.3
69.23263	2.6
76.37386	0.3
78.95888	0.4
89.03967	0.3
89.75803	0.3
98.20596	0.6
107.00709	0.3
117.03468	17.2
118.03732	0.6
119.05027	28.5
120.05380	1.5
121.02953	1.4
123.04525	0.3
124.48635	0.3
138.26915	0.3
138.60497	0.3
145.02950	100.0
146.03281	4.8
146.17439	0.3
152.99596	0.3
163.04007	19.8
164.04337	0.8
229.69997	0.3
263.62042	0.3
267.19699	1.3
285.17746	0.7
285.20694	8.1
286.20969	0.6
431.24350	24.9
432.24741	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	431.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29200	0.3
59.01372	0.7
78.95904	0.4
80.64293	0.4
89.41949	0.4
93.03423	0.4
98.20654	0.6
117.03466	17.5
118.03776	0.4
119.05029	27.7
119.94491	0.3
120.05347	1.1
121.02943	2.0
133.02971	0.4
145.02951	100.0
146.03287	6.2
152.99567	0.4
163.04008	21.1
164.04379	1.0
185.81296	0.3
191.72472	0.3
267.19681	1.9
285.20721	8.5
286.20953	0.7
311.05658	0.4
413.23248	0.6
431.24353	27.4
431.30362	0.9
432.24643	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3166
Annotation	CHEBI:86434
Peak:m/z	Relative Intensity
59.01378	5.2
61.98820	1.2
64.08873	0.6
71.01380	13.3
71.05003	1.3
71.55331	1.2
73.89458	0.5
77.55507	0.5
80.02670	0.9
83.05002	1.4
87.77612	0.6
96.95957	0.8
117.03419	1.0
119.05029	1.2
123.08142	2.1
129.58766	0.5
135.08200	0.6
145.02927	3.0
152.99478	0.7
163.03934	0.8
197.08278	0.6
200.45244	0.6
215.12796	1.3
283.06055	1.2
311.05637	1.8
331.26312	1.0
341.24744	1.2
343.26178	1.6
355.26480	1.3
357.27917	5.8
358.28262	0.7
359.29526	40.3
360.29922	6.4
373.27499	2.9
387.32581	1.0
391.28552	19.5
392.29071	2.7
431.31595	100.0
432.31940	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	431.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84668	0.4
57.03452	0.9
58.00596	1.0
59.01387	3.0
61.98818	0.5
69.03468	0.5
69.37838	0.7
69.38242	2.4
69.77852	0.4
71.01376	0.5
87.04531	0.4
125.09733	1.0
127.11282	5.8
155.10773	0.9
157.12320	2.9
167.14372	2.3
169.15950	2.0
181.15985	0.6
185.15480	1.0
190.65622	0.4
195.14026	0.4
197.15475	2.0
199.17038	0.7
202.76500	0.4
213.14946	4.8
214.15318	0.5
225.14969	0.5
237.18567	2.2
241.14452	0.6
243.16011	8.0
244.16278	0.6
253.18086	1.1
255.16003	1.0
255.19614	3.2
264.04150	0.6
269.17801	0.5
271.18994	0.8
273.20670	0.9
283.19098	0.6
311.05673	0.6
377.30609	1.3
388.07236	0.9
395.31821	0.9
403.05844	0.7
411.31168	1.2
413.32727	6.9
414.33093	1.1
416.06787	0.6
429.32224	7.8
430.32501	0.9
431.05499	1.4
431.09720	1.7
431.15009	1.2
431.33768	100.0
432.06027	2.2
432.34103	14.0
433.58994	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31385	0.6
59.01377	10.1
61.01801	0.4
61.98829	100.0
71.01375	3.4
71.33323	0.7
85.02946	1.1
89.02438	2.6
101.02463	1.9
113.02496	1.6
118.18732	0.4
119.03493	1.1
119.05019	0.7
125.02484	0.8
146.65193	0.5
161.04562	1.3
167.03493	1.2
179.05650	0.6
198.32491	0.5
226.94243	0.6
313.07294	1.8
343.08319	0.8
433.11212	0.7
433.24438	1.6
459.06497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01695	0.7
61.01814	0.6
61.98829	74.4
62.04800	0.6
68.78866	0.5
69.60856	1.3
69.61266	2.9
71.01387	1.8
73.02955	1.2
83.01389	0.8
89.02433	0.9
98.86367	0.6
101.02429	1.7
119.05006	0.8
139.09439	0.6
151.00314	1.2
168.47783	0.6
195.25204	0.6
271.06128	2.8
379.81473	0.5
433.10751	1.8
433.40842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36990	0.8
54.50389	0.7
55.26189	0.7
59.01381	9.9
61.98830	4.9
65.00341	3.2
68.56585	0.9
69.54202	3.2
69.54607	2.2
71.01406	5.2
73.02945	0.8
81.03429	1.2
83.01408	3.6
84.11921	0.8
85.02914	1.2
85.11056	0.8
88.31155	0.9
89.02474	2.0
93.03454	4.7
95.01385	1.8
97.02949	3.6
98.20616	1.7
99.00867	0.8
101.02460	2.5
107.01413	5.4
109.02967	1.3
113.02455	2.4
119.05028	28.0
120.05376	2.4
121.02975	1.7
123.04507	0.8
125.02450	5.4
125.03406	1.4
131.03383	0.8
133.02922	1.1
135.00914	1.2
135.04515	1.0
136.01672	1.7
137.02429	3.4
143.05035	2.0
144.58235	0.8
145.02946	2.1
149.02425	0.9
150.99174	1.5
151.00375	22.5
151.04085	1.4
153.01958	1.0
155.03482	2.5
161.06059	1.7
163.00398	9.7
164.01132	1.3
165.01878	5.1
167.03500	2.5
177.01910	4.0
179.03462	1.5
185.06097	1.2
187.04056	3.1
193.01385	6.5
197.04564	1.0
205.01433	3.0
207.02994	1.3
219.02930	1.1
223.02484	10.0
227.07184	2.7
229.05054	0.8
239.04375	0.8
243.29121	0.8
271.06116	18.8
272.06482	2.1
283.06110	7.0
284.06284	1.0
313.07181	18.9
314.07443	2.5
325.07108	4.8
343.08224	100.0
344.08600	13.2
355.08206	2.4
373.09360	4.0
415.10391	2.5
433.11340	6.1
433.25073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21739	1.2
57.03437	1.7
59.01378	12.6
68.99798	1.4
69.33952	10.2
71.01396	7.8
77.70955	1.3
83.01394	6.5
83.78291	1.5
85.02942	1.8
86.00053	1.2
87.00869	8.0
89.02442	4.8
93.03455	6.7
95.01353	1.5
97.02960	8.0
101.02431	2.9
108.02172	3.3
109.02940	5.8
111.00885	2.1
113.02387	1.4
117.03445	1.5
119.05011	4.8
120.02112	2.5
121.02922	2.1
123.00874	1.3
123.04526	7.0
124.01621	2.5
125.02397	5.0
129.01944	2.1
133.02939	7.2
135.04482	1.3
137.02446	36.9
138.02931	1.8
139.04005	2.1
143.05020	3.0
147.04472	1.8
149.02408	2.4
150.92064	1.3
151.00354	1.5
151.03995	2.1
153.01921	9.0
157.06601	4.8
159.04443	1.9
161.06030	2.9
163.00385	3.3
164.01155	51.9
165.01941	14.8
167.05008	1.2
169.06541	2.0
169.62659	1.3
172.05309	1.5
177.01953	3.6
180.05775	1.7
181.06567	4.1
183.04497	1.6
185.06044	7.9
187.07671	1.7
189.05534	1.6
197.06096	2.1
199.07713	1.8
203.07088	9.7
209.06094	8.3
224.04761	2.1
225.05510	4.9
227.07137	5.9
228.04218	6.8
229.04799	1.6
229.08633	2.9
242.05696	1.3
243.06541	2.6
253.05060	100.0
254.05415	8.6
255.06718	6.1
269.04453	2.3
270.05237	3.5
271.06125	61.1
272.06619	6.3
273.07675	28.8
274.08105	2.1
313.07278	2.7
343.60022	1.2
345.23679	1.2
430.18655	1.4
433.11365	9.5
440.30640	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	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09141	0.6
58.85635	0.6
59.04616	0.5
63.73017	0.5
65.00315	3.1
69.03452	1.0
69.56957	2.9
69.57372	1.2
71.01385	0.7
71.12390	0.5
72.97569	0.5
79.01904	1.6
81.03458	1.7
82.56414	0.6
83.01399	3.1
83.05040	0.7
93.03469	5.4
95.01391	1.3
95.05021	0.6
97.02966	3.8
98.20576	1.2
101.02423	0.7
101.44829	0.6
105.03448	1.7
107.01388	4.6
109.02918	1.1
117.03461	1.1
119.05025	30.0
120.05332	1.5
121.02952	4.8
123.00873	1.7
123.04495	1.0
125.02461	11.5
135.00874	0.6
136.01672	0.9
137.02361	2.7
143.05042	3.5
145.02965	3.3
149.02426	5.6
151.00383	10.0
152.00752	0.7
155.03488	0.9
161.06145	0.8
163.00363	4.8
163.04034	0.9
164.01031	1.0
165.01930	8.6
167.03496	2.6
168.03859	0.8
176.99554	0.6
177.01933	2.0
179.03496	1.6
185.06104	1.0
187.03979	2.1
190.57950	0.6
191.03481	1.4
193.01410	26.4
193.03217	1.3
194.01753	1.4
196.63487	0.6
197.04436	1.1
199.07648	0.8
205.01453	1.6
207.02991	1.8
219.03015	2.9
223.02480	3.5
227.07246	0.8
243.06479	0.7
269.08179	1.7
271.06137	9.3
283.06100	3.0
285.07745	0.7
311.05502	0.7
313.07169	100.0
314.07532	11.2
325.07272	1.9
325.78339	0.6
343.08209	25.0
344.08398	3.0
355.08109	1.5
373.09528	0.6
415.10498	1.8
430.01755	0.6
433.11374	16.5
434.11737	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	433.1138
Annotation	Naringenin 4'-O-glucoside
Peak:m/z	Relative Intensity
51.88110	0.7
57.23414	0.6
59.01374	12.3
61.98816	3.2
62.12836	0.6
64.85483	0.8
69.03453	1.2
69.39606	1.8
69.40030	3.6
71.01387	5.8
82.95408	0.9
83.01381	5.4
85.02955	2.2
87.00851	1.7
89.02438	3.8
93.03456	4.8
95.01389	2.0
95.05022	0.8
97.02948	3.0
97.49002	0.7
99.00916	0.9
101.02468	3.4
108.02178	2.2
109.02983	4.1
110.21163	0.6
113.02460	2.6
117.03475	1.6
119.01350	1.4
119.03518	1.8
119.05013	1.4
120.02212	3.4
121.02960	2.2
123.00900	0.9
123.04533	6.3
124.01659	2.1
125.02462	4.6
132.02217	0.8
133.02971	5.5
136.01636	1.0
137.02444	37.0
138.02806	1.1
143.05037	4.5
149.02470	1.9
153.01958	2.0
157.06570	5.0
159.04485	2.2
160.01654	1.0
161.04570	1.0
161.06062	3.0
163.00357	4.2
164.01155	58.7
165.01941	14.7
167.05011	2.3
168.43207	0.6
169.06671	0.9
172.05235	0.8
173.06058	1.3
177.01913	3.3
179.03514	0.9
180.05803	2.3
180.10361	0.7
181.06554	4.0
183.04468	1.8
185.06090	7.2
185.55673	0.7
186.06395	0.7
187.03912	0.9
189.05594	0.7
197.06128	2.6
199.07655	2.0
203.07144	8.2
208.05322	0.9
209.06093	8.6
210.06592	1.0
211.03886	1.6
213.11406	0.9
216.73611	0.7
223.04019	0.8
225.05534	5.8
226.05869	0.7
227.07106	5.5
228.04305	6.5
229.04951	2.2
229.08710	1.3
241.05002	0.9
242.05846	1.3
243.06572	2.7
253.05052	100.0
254.05415	9.7
255.03096	1.0
255.06613	1.7
257.08237	0.8
269.04468	1.8
270.05304	4.4
271.06113	53.7
272.06442	6.5
273.07684	9.0
313.07147	1.2
422.77112	0.7
433.11499	7.8
433.16766	0.9
434.11368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.0
65.00323	4.5
69.03445	0.8
69.86262	3.3
71.01350	1.6
77.03950	0.7
81.03480	2.7
83.01377	3.8
84.43938	0.5
85.02971	0.6
89.02449	2.0
89.37194	0.6
93.03465	6.5
95.01385	1.8
97.02940	5.4
101.02429	0.9
105.03452	2.6
107.01375	4.7
109.02932	1.9
113.02437	1.0
117.03451	1.1
119.05028	41.3
120.05349	2.0
121.02954	6.9
123.00868	2.8
123.04526	1.5
125.02449	14.6
133.02917	1.0
135.00865	0.9
135.04539	0.8
135.40800	0.6
136.01688	0.8
137.02438	5.0
142.86931	0.7
143.05028	3.0
145.02969	3.8
147.04552	0.7
149.02466	5.6
151.00374	12.5
152.00781	0.7
155.03473	1.0
161.06052	1.9
163.00388	6.0
163.04007	1.4
164.01106	1.2
165.01917	10.0
167.03497	3.5
175.15234	0.6
177.01910	2.9
179.03444	2.2
185.06136	3.2
187.03981	3.8
191.03477	2.4
193.01407	29.1
194.01759	2.0
199.07710	1.4
205.01387	1.9
207.02939	2.2
219.02927	3.4
223.02472	4.1
227.07161	1.4
229.05052	0.7
239.07108	0.8
241.08746	1.2
245.08365	0.8
269.05243	0.6
269.08228	1.4
271.06110	9.3
272.06363	0.9
283.06122	2.5
285.07596	0.7
309.30484	0.6
313.07175	100.0
314.07538	10.8
325.07178	2.7
343.04022	1.3
343.08209	26.2
344.08496	3.2
355.08212	1.6
389.85034	0.6
415.10422	1.8
433.11362	15.0
434.11554	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	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80869	0.8
65.00339	3.4
69.34636	5.9
69.34966	1.4
79.01888	1.5
81.03461	2.0
83.01394	2.6
90.69044	0.7
93.03455	4.9
93.64428	0.8
95.01408	1.3
97.02951	4.2
98.20622	1.4
105.03487	1.9
107.01385	5.1
107.80830	0.7
107.96106	0.6
109.02910	0.9
117.03535	1.2
119.01388	0.8
119.05032	38.0
121.02951	6.2
123.00901	2.1
123.04521	0.8
125.02451	11.9
133.02982	1.6
135.00803	0.7
135.04469	1.0
137.02452	3.9
143.05043	3.9
145.02956	2.9
149.02432	5.0
151.00371	11.8
152.00757	0.8
155.03445	1.1
161.06035	1.3
163.00388	5.2
163.04073	1.3
164.01219	1.6
165.01941	8.3
167.03455	3.6
177.01872	1.9
179.03505	1.7
185.06082	1.7
185.71495	0.7
187.04034	3.8
193.01410	25.1
194.01895	0.9
199.07559	1.3
205.01418	2.0
207.02943	1.9
219.03008	2.4
223.02481	3.1
227.07066	1.6
229.04973	0.7
241.08635	1.0
269.08145	2.6
271.06094	9.4
283.05994	2.5
285.06891	1.3
313.07175	100.0
314.07498	11.5
325.07028	1.4
343.08231	28.2
344.08572	2.8
355.08090	1.7
415.10367	1.8
433.11310	15.6
434.11618	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	1-phenyl-3-(3-C-glucosyl-2,4,6-trihydroxyphenyl)propane-1,3-dione
Peak:m/z	Relative Intensity
50.83051	0.6
59.01379	8.4
61.98833	7.4
65.00325	3.3
68.31119	0.5
69.24666	5.7
71.01376	4.6
73.02961	0.6
81.03456	1.5
83.01396	2.9
85.02956	1.0
87.61897	0.5
89.02438	2.3
93.03469	4.8
95.01382	1.9
97.02936	3.1
101.02435	2.6
107.01372	6.5
109.02956	0.6
111.00848	0.8
111.04505	0.9
113.02433	2.5
119.05030	33.8
120.05341	1.5
121.02953	2.6
123.04533	1.3
125.02438	5.6
133.02959	1.2
135.00865	0.8
136.01657	1.7
137.02435	2.4
143.04994	2.2
145.02963	2.4
149.02438	1.5
151.00372	23.0
151.03915	0.8
152.00679	1.0
153.01929	0.8
155.03448	2.8
161.02481	1.0
161.04527	0.8
161.06009	1.2
163.00374	11.0
164.01103	1.6
165.01955	5.5
167.03487	2.1
177.01932	5.0
179.03505	1.7
181.01482	0.7
185.06070	2.3
187.03944	2.9
191.03540	1.0
193.01404	5.2
197.04630	1.7
199.07645	0.7
205.01472	3.6
207.02966	0.9
219.02885	1.5
223.02466	9.2
224.02615	0.8
227.07129	1.5
231.02998	1.1
234.99527	0.6
249.04019	0.7
271.03076	1.0
271.06100	19.2
272.06494	1.5
283.06113	6.8
284.06747	0.8
297.07816	1.0
313.07144	18.3
314.07516	1.8
325.07034	4.6
343.08209	100.0
344.08536	11.3
355.08264	2.1
357.09903	1.3
373.09207	2.8
397.09097	2.1
415.10272	2.4
416.10553	0.7
433.11478	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	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
58.00598	0.6
59.01379	96.8
60.01690	1.3
61.98827	10.6
63.02410	0.8
65.00323	3.9
68.76428	0.7
68.99834	0.8
69.03455	1.6
69.75578	1.4
69.75993	2.3
71.01384	18.2
71.72630	0.7
72.99334	1.6
73.02946	6.4
79.01894	1.1
81.03465	2.5
83.01372	5.8
85.02945	5.6
87.00874	1.2
89.02446	15.5
93.03449	7.0
95.01376	3.6
95.04982	0.7
97.02944	5.8
98.20655	0.7
99.00918	1.5
101.02440	13.3
103.04046	0.6
105.03461	1.9
107.01393	5.0
108.02180	6.6
109.02981	1.8
113.02460	9.2
117.03423	1.2
119.01300	0.7
119.03620	6.8
119.05023	43.2
120.05373	2.0
121.02956	6.7
123.00874	2.4
123.04523	1.8
124.01637	1.0
125.02454	14.8
126.02784	0.9
131.03511	0.8
133.02943	1.4
135.04538	1.1
136.01651	0.8
137.02415	4.7
139.00345	1.1
143.03482	1.8
143.05008	3.7
145.02917	4.6
146.03322	1.1
147.04488	1.0
148.03592	0.6
149.02463	6.5
149.04494	1.1
151.00371	13.1
151.04048	1.3
155.03464	1.1
159.02986	1.0
161.02504	1.0
161.04556	5.8
161.06056	2.4
162.52303	0.7
163.00391	6.9
163.04025	2.6
164.01152	1.8
165.00525	1.0
165.01930	18.6
167.03496	4.1
177.01979	2.9
179.03508	2.5
179.05591	3.6
185.06049	2.7
187.03996	3.6
190.99925	0.8
191.03488	2.0
193.01413	24.3
194.01738	1.6
197.04509	0.9
197.11887	1.4
199.07571	1.0
205.01440	1.6
205.05014	1.0
207.02983	2.1
209.06152	0.7
218.05580	0.6
219.03011	2.5
223.02507	2.9
225.05583	1.3
226.06523	0.9
227.07143	2.5
228.04134	0.7
229.04851	0.8
241.05009	1.3
241.08806	0.8
243.06526	0.9
253.05043	2.4
255.02940	2.8
255.06551	1.3
256.03763	4.9
256.07260	1.0
257.04236	1.3
269.04282	0.7
269.08270	1.9
270.05417	0.7
271.06107	23.8
271.09369	1.2
271.19064	3.2
272.06436	2.1
283.06024	2.3
285.03900	2.1
285.07434	1.0
286.04373	1.1
311.05872	1.1
313.07159	100.0
314.07602	7.5
325.07132	1.9
338.09119	0.8
343.08218	26.7
344.08386	3.2
355.08157	1.4
358.11063	0.7
373.13248	1.7
384.84167	0.7
415.10095	1.5
433.11029	20.7
433.24487	5.0
434.11517	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	433.1501
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
59.01371	2.2
69.38060	2.9
71.01376	0.4
98.19927	0.7
99.00914	0.4
101.02466	0.6
109.57530	0.4
213.05559	25.0
214.05910	1.5
233.30237	0.4
241.05057	45.8
242.05357	4.2
255.06674	0.9
256.07401	85.3
257.07721	7.7
257.10211	0.6
271.09744	100.0
272.10086	9.5
313.31931	0.4
433.15262	1.9
433.24371	0.7
434.15039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.15
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
59.01390	0.5
70.01331	0.9
78.05425	0.3
106.95062	0.5
121.93795	0.4
141.18755	0.4
157.76849	0.4
192.14555	0.4
213.05556	23.5
214.06023	1.2
228.09343	0.5
233.78748	0.4
240.04320	0.4
241.05060	45.1
242.05382	2.6
255.06630	1.7
256.07410	84.4
257.07764	7.5
271.09750	100.0
272.10114	9.6
403.98941	0.5
433.15042	6.1
434.15268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25802	0.2
51.75915	0.2
59.01377	4.3
69.61738	1.5
95.01400	0.2
113.19029	0.2
128.41386	0.2
143.38963	0.3
153.05312	0.2
213.05551	23.3
214.05881	1.9
240.04248	0.3
241.05048	46.8
242.05380	3.7
242.38669	0.3
255.06587	1.7
256.07391	86.2
257.07727	7.0
271.09729	100.0
272.10062	8.8
433.09512	0.5
433.14941	3.7
434.15182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00968	1.0
59.01496	24.6
60.01806	1.0
61.01896	0.7
61.98611	1.3
61.98953	3.0
66.45103	0.5
69.19868	1.7
69.20294	4.6
71.01089	0.8
71.01518	3.9
73.02721	0.8
73.03085	1.9
76.98660	0.6
85.03059	0.9
88.21380	0.5
89.02589	3.5
101.02587	3.5
105.66321	0.6
113.02630	1.9
119.03621	1.0
152.60020	0.6
161.04715	1.2
179.05714	0.8
179.07193	0.9
197.11949	0.6
200.94872	0.5
211.04071	4.0
211.16060	0.6
212.04428	3.4
213.05673	22.8
214.05986	1.4
229.08777	1.2
239.03674	1.7
240.03906	2.0
241.05086	44.5
242.05434	3.5
254.05852	6.0
255.06287	8.3
256.07443	81.1
257.07712	7.3
269.08151	6.9
270.08475	5.4
271.09766	100.0
272.10095	8.9
284.08331	0.6
356.55450	0.6
391.23260	1.7
433.15143	4.7
433.24832	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72973	0.4
51.80528	0.4
54.96875	0.5
55.01883	0.8
57.03448	1.0
58.00573	0.6
59.01380	100.0
60.01715	1.3
61.98831	12.4
63.02400	1.6
65.00327	1.8
65.03944	0.6
67.01914	0.9
69.03455	0.7
69.21461	3.4
69.21866	0.9
71.01382	13.3
71.42940	0.4
72.99300	1.0
73.02947	5.0
75.00869	0.5
79.05536	0.8
81.03458	16.1
81.03934	1.0
82.03790	0.7
82.89954	0.5
83.01389	3.7
85.02964	5.0
87.00906	0.6
89.02444	7.1
93.03450	4.6
95.01395	2.3
96.89487	0.4
97.02926	2.1
98.19868	1.1
99.00874	1.7
101.02441	9.6
106.04223	2.3
107.01383	4.4
108.02174	1.5
109.02973	2.6
111.00889	0.7
113.02441	5.2
119.03540	3.6
119.05019	12.8
120.05313	0.8
121.02964	2.0
122.03745	0.7
123.04525	50.0
124.01657	0.6
124.04887	2.1
125.02454	5.3
134.03760	0.5
135.00934	0.8
135.04530	0.8
136.01685	0.6
137.02426	2.3
138.03220	0.9
143.03490	0.8
143.05011	0.5
145.02975	0.8
147.66389	0.5
149.02470	1.4
151.00360	10.7
152.01135	2.0
155.03477	0.7
159.03004	1.1
161.02493	0.7
161.04546	3.0
161.06050	0.5
163.00398	2.5
163.03984	0.9
164.01105	0.7
165.01939	3.5
166.22182	0.6
167.03525	1.4
169.01340	0.6
175.02446	0.5
177.01923	1.5
178.99890	1.9
179.03484	0.8
179.05621	1.1
185.06049	0.5
187.03978	0.7
191.03493	0.8
193.01436	7.3
197.11807	0.8
205.01479	0.5
207.03055	0.8
219.02994	0.8
223.02496	1.4
227.07146	0.9
229.08691	95.1
230.09048	9.1
253.08690	1.2
256.03580	0.6
269.04498	6.1
269.07458	0.7
270.04764	0.7
271.06131	7.9
271.09390	1.0
271.19138	1.5
272.06421	0.7
283.06311	1.0
313.07187	25.7
314.07513	2.7
325.06995	1.2
331.17551	1.0
343.08185	16.4
344.08643	2.2
355.07980	0.5
373.13522	0.9
373.18362	0.6
385.08923	0.6
391.13715	0.6
415.10153	0.9
433.11230	10.4
433.24484	15.3
434.11603	1.5
434.24924	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.9
57.97626	0.6
59.01381	100.0
59.12801	0.6
60.01703	1.4
60.95348	0.7
61.98840	1.6
69.45221	4.7
71.01384	3.7
75.21088	0.6
76.56416	0.6
85.02989	1.0
86.72897	0.5
89.02452	2.5
90.98640	0.6
95.67437	0.6
98.20754	0.6
99.04539	0.8
101.02466	2.7
104.40908	0.6
113.02464	0.9
113.30710	0.5
119.03548	0.9
161.04611	1.5
199.81653	0.5
200.58224	0.6
213.05565	17.1
214.05978	0.9
241.05072	31.8
242.05469	2.5
255.06711	1.6
256.07410	55.9
257.07700	4.7
271.09753	62.3
272.10092	6.3
313.07227	0.8
313.10559	0.7
373.22345	6.0
376.77432	0.6
433.15115	3.3
434.15634	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17289	0.6
57.48883	0.6
59.01381	100.0
60.01717	0.7
61.98833	7.9
63.02380	1.0
65.00315	3.3
71.01382	6.8
71.11655	1.3
72.99326	0.8
73.02956	3.4
74.02487	1.2
75.00890	1.0
81.03450	0.9
83.01392	3.3
85.02967	2.8
87.00898	1.9
89.02446	3.5
93.03457	3.4
95.01389	0.6
97.03002	0.8
99.00883	0.8
101.02438	5.2
104.08175	0.6
107.01391	5.4
113.02471	2.8
115.00395	1.4
119.03558	1.7
119.05030	15.9
120.05353	0.8
121.02923	0.9
123.04513	0.7
125.02447	1.4
131.03493	1.0
151.00363	19.2
152.00977	0.9
161.04604	1.5
163.06123	1.1
164.01115	1.0
165.01910	1.2
175.02521	1.0
177.01906	2.4
193.01385	1.2
240.58330	0.6
269.04434	1.4
270.76703	0.6
271.06113	34.9
272.06424	3.2
277.90683	0.7
292.42264	0.6
296.07535	0.6
313.07016	5.1
343.08301	2.3
373.22473	1.0
433.11136	4.7
433.20886	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	433.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58714	0.4
59.01379	100.0
60.01719	1.3
62.37608	0.5
63.34930	0.5
68.33897	0.4
69.39098	2.4
69.39515	1.5
71.01389	1.8
73.02949	1.9
79.55267	0.4
82.27078	0.5
83.01375	0.5
85.02957	0.6
89.02438	1.0
98.20663	1.0
101.02441	2.4
113.02431	0.9
119.03538	0.7
133.68504	0.5
161.04630	1.0
235.27925	0.5
269.41647	0.5
331.17685	0.7
403.43628	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23042	0.5
59.01379	100.0
60.01713	1.5
61.01810	0.8
61.98829	5.2
63.02410	0.5
69.77805	2.8
71.01382	6.0
72.99316	0.5
73.02946	3.6
83.01373	1.3
85.02946	1.8
88.43981	0.6
89.02446	4.4
95.01450	0.8
98.20619	0.8
101.02452	3.7
107.01382	1.3
108.02193	0.7
109.02980	0.7
113.02419	2.3
119.03498	1.7
119.05028	0.9
121.02994	1.2
125.02425	0.5
137.02423	0.7
143.03493	0.6
148.01656	0.6
149.02461	0.5
151.00375	5.8
161.04524	2.2
163.00333	2.1
165.01949	4.1
178.99883	2.6
179.05551	0.7
187.04004	0.6
193.01378	0.9
211.03923	0.6
213.05444	0.6
223.06194	0.6
226.02777	0.8
227.03371	1.4
243.02985	6.1
244.03426	0.5
245.04614	0.7
254.02315	1.3
255.02992	13.1
256.03394	1.3
271.02478	30.9
271.05930	3.2
272.02908	3.2
272.05670	0.5
273.03772	0.8
276.61972	0.5
299.01959	0.6
300.02753	44.8
301.03476	30.8
302.03735	2.7
313.07169	3.1
419.83627	0.5
433.07626	30.5
433.19717	1.0
433.24365	2.2
434.07990	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27678	0.7
56.54280	0.6
57.04084	0.6
59.01381	100.0
60.01711	0.7
67.02666	0.7
68.99831	0.6
69.71768	2.9
71.01376	4.0
73.02942	1.6
75.07965	0.7
81.69324	0.8
85.02975	1.5
89.02470	2.6
98.19913	0.8
99.00892	1.8
101.01879	0.8
101.02434	3.2
113.02470	1.4
114.35112	0.6
119.03539	1.1
131.03511	1.1
161.04524	1.0
185.76743	0.6
213.05638	2.4
221.06801	1.0
241.04979	3.7
256.07401	6.7
271.09720	7.3
331.17798	3.4
367.57907	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70916	0.4
55.01878	7.5
59.01384	2.4
60.66287	0.4
70.01453	2.0
71.01372	5.8
71.31141	0.4
71.91771	0.5
72.99305	0.5
73.02943	0.4
78.95905	54.3
83.01385	27.5
87.00887	1.5
96.90989	0.5
96.96961	7.6
99.00874	3.0
101.02366	0.6
103.20758	0.4
110.65961	0.4
111.00888	9.2
112.98812	2.4
127.00376	0.6
127.07573	0.5
137.16959	0.5
142.99870	9.8
145.01447	1.7
150.28989	0.4
150.98007	1.6
152.99586	100.0
153.99919	1.6
154.99857	15.6
156.00269	0.5
171.00636	4.8
173.00885	1.7
219.77936	0.4
224.15219	0.5
277.21710	32.8
277.62204	0.4
278.22134	3.8
279.23428	0.8
289.22028	0.5
291.23361	0.6
303.23132	0.4
322.61478	0.4
361.23819	0.6
433.22656	14.1
434.22888	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2359
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
62.96418	0.5
69.29021	2.7
78.95903	60.5
83.01389	0.8
96.96969	6.5
97.19134	0.3
110.98541	0.5
140.08066	0.3
147.82603	0.3
150.98003	1.9
152.99590	100.0
153.99924	1.9
154.99815	0.6
167.01083	0.3
171.00639	4.6
177.93910	0.3
223.74330	0.3
265.21707	3.7
277.21686	0.7
279.23395	1.1
348.18774	0.3
375.22498	0.3
433.23581	5.8
434.23920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62898	0.7
55.01875	1.9
57.03448	3.5
58.00600	4.5
59.01380	100.0
60.01714	1.3
61.98835	0.6
62.02907	0.7
69.38718	5.8
71.01383	70.5
72.01728	1.1
72.99312	4.2
73.02952	11.4
75.00890	0.8
83.01382	6.9
85.02953	19.1
87.00874	4.7
87.04531	2.8
89.02445	64.1
90.02818	0.9
93.03471	1.5
95.01400	6.0
97.02976	1.1
97.29301	0.7
99.00900	3.9
101.02448	45.6
102.02770	0.7
105.46145	0.8
113.02450	28.0
114.02770	0.8
119.03498	28.4
119.04960	5.6
121.02979	1.1
125.02439	4.1
131.03513	2.9
143.03482	5.4
148.33339	0.7
149.02452	0.8
149.04579	1.7
151.00375	1.7
159.03017	3.2
159.10199	3.7
161.04558	22.7
162.04881	0.8
163.00461	0.9
165.01945	1.2
167.03510	0.9
179.05620	10.4
193.01460	3.2
195.13901	1.2
201.15062	1.4
207.03018	0.8
223.02539	0.8
271.06079	2.3
271.09689	0.8
271.19165	4.6
313.07178	11.7
314.07617	1.5
315.18314	2.0
321.15491	5.6
343.07977	3.4
357.19260	1.2
363.20279	0.9
415.10571	1.5
415.23828	0.8
433.11154	3.2
433.24524	27.0
434.25162	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	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33050	0.6
55.01872	1.4
57.03451	3.0
58.00586	3.2
59.01380	100.0
60.01716	0.8
61.98837	3.1
69.03493	0.7
71.01380	63.4
72.99314	6.5
73.02963	2.0
83.01400	3.1
83.05013	0.7
85.02950	10.6
87.00868	3.4
89.02444	83.8
90.02780	1.5
93.03465	1.8
95.01385	5.1
97.76450	0.7
98.20613	2.0
99.04510	0.9
101.02443	31.3
107.01348	0.7
113.02448	25.0
114.02824	0.8
119.03506	30.0
119.04947	4.6
120.03831	1.2
121.02982	1.4
123.04578	0.9
125.02444	11.3
131.03496	3.4
137.02470	1.4
143.03520	5.4
145.03017	0.6
147.04594	0.9
149.04579	2.2
151.00410	2.3
161.04581	4.7
163.00362	0.6
164.01328	0.7
165.01881	1.1
165.05600	1.8
173.06143	0.7
175.02441	0.7
178.99930	1.0
179.05602	10.8
193.01477	1.9
225.09431	0.8
227.07230	1.3
229.04947	1.0
253.05104	2.8
259.06104	7.1
269.04510	4.2
271.06235	5.0
271.09854	2.3
273.07794	1.0
287.05594	5.6
288.05692	0.7
311.05643	0.9
313.07181	7.2
343.08319	2.7
433.11160	5.4
433.25040	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59267	0.5
55.01886	0.6
57.03445	3.8
59.01379	100.0
60.01708	0.7
61.98819	0.8
63.40440	0.5
65.44857	0.6
68.99821	0.8
69.92895	0.5
71.01378	7.4
71.04962	1.6
73.02960	2.0
83.01404	0.9
85.02950	2.7
89.02448	8.2
99.00888	2.9
99.04545	2.5
101.02443	6.5
113.02431	4.6
114.33850	0.5
119.03496	4.2
125.02472	1.7
136.64119	0.6
141.62299	0.6
143.03526	0.7
154.84277	0.6
159.02991	1.0
161.04608	5.0
165.05568	1.4
174.79039	0.6
179.05609	1.1
212.35600	0.5
213.05522	1.6
220.03705	0.8
235.06155	1.1
241.05069	4.1
249.13290	0.6
256.07391	6.7
271.06662	1.2
271.09729	7.1
289.16595	0.8
313.07144	1.0
373.22308	17.2
374.22632	1.4
433.24014	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70746	0.3
59.01380	1.3
61.98819	0.4
69.53786	0.3
71.25959	0.5
72.91766	0.3
76.92751	0.3
78.95905	0.6
93.03470	0.5
105.00008	0.4
117.03468	17.4
118.03812	0.8
119.05032	25.2
120.05382	1.3
121.02998	1.8
123.04463	0.4
124.61790	0.3
126.82387	0.3
133.02942	0.7
134.03722	0.3
145.02954	100.0
146.03305	4.9
152.99583	1.3
163.04008	17.6
164.04324	0.7
167.64296	0.3
169.44823	0.3
198.17441	0.3
269.21344	2.2
271.09772	0.3
287.22278	8.0
288.22595	0.8
374.93399	0.3
415.24878	0.7
433.25952	30.2
434.26205	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	433.2594
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01377	1.3
61.98824	0.3
69.34565	1.6
76.99596	0.2
78.95902	0.7
98.19819	0.5
99.08188	0.3
117.03466	17.2
118.03763	0.5
119.05029	24.7
120.05379	1.3
121.02928	1.6
123.04501	0.5
134.03818	0.2
145.02956	100.0
146.03290	5.1
152.99570	0.9
162.03264	0.2
163.04012	18.4
164.04349	0.7
180.40254	0.2
192.68678	0.3
207.37149	0.2
269.21262	1.4
287.22272	7.9
288.22681	0.6
369.39410	0.3
393.95450	0.2
415.24948	0.7
433.25949	30.3
434.26291	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	434.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.8
59.01379	19.5
59.96372	0.6
61.98830	100.0
63.02397	1.6
63.05196	0.6
64.88734	0.6
65.00327	2.7
65.02878	0.5
69.43256	2.3
69.43675	1.8
71.01372	5.7
71.01649	0.6
73.02944	2.3
79.92365	0.6
81.03456	2.9
83.01407	2.6
85.02969	2.4
87.00890	1.6
89.02442	4.3
91.05540	1.1
93.03456	4.3
97.02908	0.7
101.02438	4.8
107.01384	4.2
108.36985	0.6
109.02979	0.8
113.02457	2.6
119.03518	2.0
119.04997	1.0
123.04526	6.7
125.02442	4.4
137.02437	1.3
145.05051	0.6
151.00377	18.9
153.01947	0.6
159.03040	0.6
161.04597	1.7
163.06175	1.7
167.03458	1.1
169.01450	1.8
178.99922	1.3
205.07222	2.0
206.45914	0.6
209.08194	7.5
217.44604	0.6
229.08714	4.9
233.69594	0.6
245.04640	2.5
247.08218	1.0
247.11839	1.8
255.03075	2.1
255.06700	1.8
272.06604	1.9
273.04120	2.7
273.07596	4.6
294.45563	0.6
313.05875	0.9
324.08850	0.7
341.05069	11.0
341.08771	0.9
393.17703	6.3
434.12106	0.7
434.21353	1.1
435.09326	4.7
435.13519	3.6
435.18860	1.1
449.09241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86597	2.1
51.46720	2.5
52.62250	2.0
53.80025	2.0
59.01378	36.6
60.01708	5.1
61.98833	100.0
71.01367	6.5
73.02944	2.7
73.11001	2.2
77.00741	2.4
89.02434	3.3
98.19852	8.0
99.04633	2.4
119.03541	3.6
119.83083	2.2
119.95824	2.4
150.55956	2.2
165.01884	3.5
230.59254	3.0
255.02971	3.7
271.02518	3.0
272.02820	7.3
300.02670	4.5
301.03024	13.3
302.03632	10.3
388.87668	2.7
434.08099	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	434.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.7
59.01381	27.8
60.01693	2.0
61.98833	100.0
69.60034	10.1
71.01386	10.6
73.02943	2.0
82.24339	1.5
83.01382	1.7
85.02962	3.4
89.02457	7.2
101.02429	6.1
119.03500	1.8
119.05040	1.9
121.02956	1.9
125.02425	4.4
137.02417	2.3
237.07675	4.3
314.07538	3.7
341.77155	1.7
434.20865	3.8
435.22061	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	435.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
59.01377	5.7
61.98820	1.7
69.57757	4.5
71.01362	2.4
81.03461	1.2
83.01367	2.3
83.52868	0.6
89.02448	1.9
90.07327	0.5
93.03463	4.4
95.05012	2.0
97.02948	11.7
100.89438	0.6
101.02456	1.1
107.05051	0.9
108.83015	0.5
108.83788	0.6
113.02497	0.6
115.05567	0.8
117.03468	0.6
119.03532	0.9
119.04985	1.8
121.02930	1.4
123.04510	2.0
124.01690	0.7
124.64596	0.6
125.02446	6.5
133.02953	1.7
134.03732	1.9
135.04552	4.7
135.51770	0.6
137.02444	19.8
138.03200	0.9
139.03996	1.7
143.05013	2.1
145.06584	0.9
147.04541	0.7
149.02437	11.7
157.06599	5.1
159.04518	9.3
161.02502	0.8
161.05978	0.9
165.01901	2.3
166.02690	1.9
167.05145	0.6
169.06621	1.9
171.04526	2.2
172.05325	1.4
173.06055	5.0
183.04530	3.1
185.06059	8.4
186.06706	1.8
187.03983	0.9
187.07649	3.9
189.05511	2.9
199.04002	6.5
201.05574	69.4
202.05954	4.7
203.07216	1.2
205.08734	2.9
211.04114	0.9
211.07610	2.5
213.05595	1.0
227.03494	1.2
227.07074	0.7
229.05052	100.0
229.08719	4.0
230.05388	8.4
240.04243	1.1
255.06645	14.4
256.06985	1.2
258.05365	0.7
271.06195	1.6
272.06812	0.8
273.04089	15.9
273.07687	37.1
274.04410	1.5
274.08047	2.8
329.08728	1.4
391.10364	3.1
435.08420	3.0
435.13956	9.1
436.13370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03197	1.1
56.41602	1.1
57.03441	3.1
59.01384	9.7
69.03471	1.3
69.90156	4.6
71.01376	4.0
78.98536	1.1
81.03468	4.1
83.01388	5.9
85.02910	1.5
87.00848	1.3
89.02445	4.9
93.03447	15.6
95.01401	3.1
95.05035	7.0
97.02952	32.6
98.19968	1.4
101.02432	2.7
105.03461	1.4
107.05035	2.7
109.02930	4.5
113.02445	1.2
117.03513	1.5
119.03596	1.5
119.05012	4.5
121.02935	4.9
121.17060	1.1
123.04518	6.8
124.01620	1.2
125.02457	20.5
133.02937	6.1
134.03745	7.3
135.04521	18.6
137.02446	66.2
138.03198	3.6
139.03995	6.2
143.05014	1.9
145.06532	2.6
146.03703	1.5
147.04498	2.7
149.02443	37.0
150.02815	1.2
151.04005	1.5
161.02541	2.0
161.05998	1.7
163.57277	1.2
164.01166	2.3
165.01938	7.6
166.02681	3.6
167.03476	1.2
169.06573	4.9
171.04512	8.6
172.05247	1.1
182.07413	1.3
185.06059	5.5
186.06792	4.0
187.07620	11.1
189.05582	9.8
205.08678	11.8
211.07634	7.8
213.05537	1.9
221.44406	1.1
227.07175	1.5
229.08659	10.5
231.06644	1.5
255.06622	45.4
256.06946	4.0
272.06824	1.5
273.07684	100.0
274.08017	7.6
329.08716	3.6
435.12933	40.7
436.13107	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	435.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.4
59.01374	4.1
60.01709	0.5
68.99818	1.0
69.03453	1.1
71.01378	1.3
71.23096	0.8
77.03959	0.5
81.03454	10.9
83.01372	3.5
85.02969	0.5
93.03455	6.2
95.01396	1.5
95.05025	10.4
97.02950	5.2
99.04514	5.0
105.03488	0.4
107.01403	0.6
107.05006	0.6
108.02185	0.9
108.82059	0.4
111.04545	0.6
113.02492	0.9
119.05019	7.6
120.39268	0.4
121.02960	1.4
121.06641	0.6
122.03723	1.7
123.00896	0.5
123.04529	17.5
124.04849	0.6
125.02448	20.8
126.02750	1.1
135.04538	1.3
137.02464	3.1
137.06087	11.9
139.04042	3.2
141.05574	1.1
147.04521	1.5
149.02405	0.9
149.06033	1.0
151.04008	1.0
163.00308	0.6
163.07622	0.5
165.01901	1.2
165.05556	6.7
166.02631	0.8
167.03493	46.1
168.03831	2.3
177.01868	0.5
177.05402	0.6
179.03493	9.4
180.04175	1.0
181.05028	2.7
185.39188	0.5
189.05597	4.3
191.03442	0.7
193.01334	0.6
193.05045	1.6
197.04523	3.3
205.63681	0.5
206.02260	0.5
206.18367	0.5
207.02853	0.6
209.04546	14.5
210.04909	0.9
221.04524	2.8
231.06631	0.5
239.05618	1.1
244.66457	0.4
271.09793	0.6
273.07681	8.4
274.08130	0.7
285.07617	2.3
315.08725	100.0
316.09045	9.8
327.08505	1.1
345.09784	26.1
346.10226	2.6
357.09918	1.3
387.10764	0.6
407.60135	0.5
417.11926	1.4
435.12860	5.0
436.13196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.2
59.01384	25.9
61.98828	4.0
69.28120	2.5
69.28529	7.6
71.01380	7.1
73.02956	4.3
81.03462	6.0
83.01399	3.7
83.88708	1.0
85.02956	4.2
87.57252	1.4
89.02460	1.3
93.03431	7.0
95.01385	2.3
95.05037	3.2
97.02943	6.9
98.59807	1.2
99.04561	1.3
99.08169	1.1
101.02473	3.5
107.05013	1.5
109.02947	1.6
111.04519	2.0
113.02430	7.0
119.05030	8.2
119.35473	1.1
123.04527	15.6
125.02465	20.5
127.07657	100.0
128.08008	4.3
135.04572	2.3
137.02438	8.1
137.06091	3.2
139.03981	1.5
143.03503	1.9
149.06096	1.2
151.00398	1.5
151.04016	1.6
155.03503	1.9
163.00432	1.6
165.01932	1.3
165.05484	1.9
167.03496	39.6
167.04913	1.9
171.06630	71.7
172.06950	3.4
177.05528	1.8
179.03494	20.4
180.04253	1.9
189.05603	3.8
193.04993	2.0
197.04546	11.9
199.13408	4.4
209.04573	2.9
221.04613	2.1
239.05612	3.9
273.07693	21.1
285.07690	7.5
315.08704	10.6
326.41690	1.4
327.08487	2.4
345.09778	92.1
346.10095	11.5
357.10260	2.3
417.11856	2.1
435.13773	11.9
435.22119	3.0
436.13876	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	435.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.4
59.01378	18.8
60.01698	0.7
61.98839	2.9
68.24795	0.4
71.01380	2.9
73.02961	2.4
77.68470	0.3
79.63180	0.4
81.03436	0.6
83.01378	1.0
85.02943	3.0
87.38667	0.4
89.02427	0.5
94.42218	0.3
95.01389	0.6
97.02899	0.5
99.00862	0.6
99.04523	3.2
101.02453	2.7
110.52029	0.5
113.02443	4.2
119.05019	0.6
119.18046	0.4
125.02460	1.9
127.07649	100.0
128.07983	4.6
128.96280	0.4
136.79520	0.4
143.03479	2.0
145.08679	0.6
161.04634	0.4
164.07143	1.6
167.03499	1.1
168.31400	0.4
171.06622	71.6
172.06981	3.7
180.34053	0.4
199.13354	0.8
253.17366	0.4
273.07581	0.9
345.09525	0.4
349.15005	1.5
393.13879	0.6
435.14978	8.1
435.22357	0.8
436.15353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35283	0.4
57.03447	2.3
59.01381	13.1
60.57586	0.4
61.78627	0.4
61.98837	0.7
68.43990	0.4
69.26031	2.6
69.26436	1.0
71.01389	4.0
73.02952	1.3
79.01997	0.4
83.01406	0.7
85.02957	3.2
89.02449	1.1
98.19932	1.1
99.00864	0.5
99.04529	1.5
99.08176	0.7
101.02446	2.5
101.03030	0.5
108.74850	0.3
113.02442	3.2
125.02449	1.1
127.07658	100.0
128.07979	3.8
135.03276	0.4
143.03511	1.8
145.08688	0.6
161.04622	0.5
171.06635	72.9
172.07002	3.5
273.20786	1.2
349.14972	1.2
375.73483	0.4
435.15067	8.5
435.25443	3.7
436.15384	1.0
436.25983	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.9
59.01096	0.7
59.01380	8.7
61.98839	2.6
70.98611	0.4
71.01378	6.4
73.02940	1.7
83.01413	0.6
85.02946	3.1
89.02446	0.9
93.03453	2.7
95.01405	2.1
99.00858	0.6
101.02451	3.7
108.02154	1.3
109.02955	0.5
111.00841	0.5
113.02444	2.4
120.02221	0.5
121.02959	47.8
122.03799	6.5
123.00882	1.1
124.01662	1.1
125.02451	1.4
136.01631	1.0
136.05293	1.4
137.02448	3.3
137.06110	4.2
149.02451	2.8
151.04021	13.2
151.05231	0.8
151.07602	0.9
152.04346	0.5
153.01932	2.3
154.02713	1.8
159.02959	0.6
161.04588	3.3
199.13432	0.4
243.04128	0.6
257.05588	0.5
257.08078	0.6
258.08960	22.8
259.09323	2.3
273.11319	100.0
274.11676	10.0
274.14432	0.3
289.08237	0.7
289.16452	1.0
317.07733	1.2
370.07849	0.4
396.27994	0.4
435.14117	1.0
435.22424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94906	24.0
53.98225	27.7
56.56142	25.9
56.85532	24.2
59.01379	61.2
68.21867	26.1
69.80844	100.0
69.81264	46.8
71.01372	31.1
98.20586	33.6
98.59551	24.8
142.45319	27.2
324.79871	28.2
440.47186	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	52.2
61.98836	24.4
69.32629	31.2
69.33031	100.0
96.95981	13.4
108.02195	17.3
125.51288	14.3
126.90495	39.6
139.62929	13.8
199.16960	83.1
218.21094	13.6
235.86769	15.4
436.78357	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	435.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03443	2.5
58.00589	0.9
59.01382	18.2
67.01891	5.1
69.97520	3.1
71.01383	20.8
72.99302	4.4
73.02930	0.9
78.95903	1.2
83.01388	4.9
85.02954	53.3
86.03306	1.9
87.00879	77.7
88.01186	1.3
92.32092	0.6
95.01385	0.7
111.00887	2.1
112.98811	4.0
113.02448	1.7
115.00377	58.3
116.00710	1.5
129.01949	11.7
139.23822	0.7
152.99609	1.4
157.01425	69.0
158.01776	2.7
175.02483	31.1
176.02852	0.9
207.15800	0.7
257.28500	0.7
259.20648	0.7
262.86005	0.7
267.20819	0.7
267.23291	4.5
268.23792	0.6
275.20239	0.8
277.21719	100.0
278.22095	9.3
280.30365	0.7
435.23865	51.6
436.24231	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	435.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54708	1.5
55.01876	10.4
57.03451	8.7
59.01373	17.1
67.01875	6.1
68.99825	1.6
69.03432	1.5
70.97200	3.1
70.97523	2.0
71.01008	1.7
71.01383	29.3
73.02951	4.2
78.95892	9.8
80.96303	2.1
83.01385	58.0
85.02952	30.0
87.00876	37.7
95.01381	3.8
99.00868	3.4
104.72338	1.6
112.98788	2.5
113.02434	8.4
115.00372	71.3
116.00690	2.4
127.00361	6.3
129.01938	6.8
139.00334	1.9
152.99583	12.6
153.99864	3.9
154.99960	3.8
157.01424	41.9
170.25386	1.7
175.02469	100.0
176.02710	2.1
182.24811	1.6
203.88481	1.7
230.35567	1.7
261.21997	2.3
267.22308	1.7
269.77802	1.5
273.22290	1.5
277.21719	68.8
278.22073	7.9
278.58069	1.5
317.20990	2.3
412.97739	1.6
435.23856	85.7
436.24124	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	435.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43002	16.5
58.05265	15.0
69.60868	54.7
69.61282	45.6
96.96020	32.6
128.42450	14.7
133.34550	15.0
139.03960	15.2
148.58492	15.8
179.00165	18.1
187.73048	14.7
192.26543	15.6
261.88834	16.6
435.35590	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	436.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.5
61.98830	100.0
63.89858	0.9
70.84705	1.5
70.85040	1.8
71.01378	2.2
75.00874	0.8
83.01380	1.5
89.02443	2.0
93.03441	2.5
94.03771	0.9
95.05003	1.6
97.02944	6.8
98.03284	2.2
101.02461	1.5
119.35949	0.9
123.04505	0.8
125.02466	13.8
126.02843	1.6
133.02989	1.4
135.04523	2.2
136.04832	1.1
137.02454	8.4
138.02780	4.4
143.30632	0.8
149.02472	5.1
150.02773	2.2
165.01941	1.6
187.07695	0.9
188.07985	1.6
190.05945	1.2
206.08926	1.2
230.05380	2.2
230.08958	1.6
255.06578	2.0
256.06873	7.2
273.07666	6.7
274.08047	14.9
275.08426	1.2
381.94852	1.1
436.13339	7.5
437.13892	1.1
437.48184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12708	0.7
59.01386	2.4
61.98832	100.0
65.54861	0.6
69.45055	4.8
71.01381	1.0
89.02457	1.6
97.02961	1.0
98.03311	0.6
101.02448	0.6
116.81866	0.5
119.03486	0.6
122.70153	0.5
135.04613	0.6
137.02451	1.6
138.02802	0.7
150.02840	0.6
178.02724	2.5
193.05051	6.7
195.12973	0.6
256.07101	1.5
274.08041	2.3
301.38284	0.6
373.11365	1.2
436.13379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19697	0.5
59.01384	1.4
61.98831	100.0
69.23593	0.5
69.24253	3.9
71.16966	0.5
104.05094	1.1
107.03793	0.7
108.04564	2.0
119.05114	0.5
122.06127	5.5
123.04582	0.6
125.02466	0.5
125.71674	0.5
132.04565	13.8
134.06154	0.7
137.02470	0.8
148.04018	0.8
150.05615	0.5
151.00348	0.5
152.07175	16.6
153.07523	0.6
161.69327	0.5
167.03528	0.7
176.03596	1.7
208.06274	0.8
269.12952	1.4
273.12424	1.2
275.09326	1.3
297.12421	7.3
298.12772	1.0
313.12076	1.1
316.09131	1.7
341.11420	18.1
342.11633	2.5
346.09702	0.7
373.14020	18.7
374.14352	2.8
443.19293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39475	2.0
56.83781	2.2
57.03426	3.8
59.01379	17.8
61.98832	100.0
71.01366	14.1
73.02943	5.3
79.96571	2.2
80.71892	2.1
85.02950	9.5
98.02065	2.4
98.19896	4.4
101.02467	11.0
101.96702	2.2
113.02412	6.1
115.87412	2.6
161.04518	7.2
163.04037	2.5
235.51440	2.4
291.18243	14.9
437.23837	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	436.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43289	2.5
54.90834	2.2
55.01867	8.3
57.03444	7.0
59.01373	10.7
61.98801	2.5
64.91563	2.1
67.01888	9.2
69.72755	2.2
71.01392	24.8
71.56230	3.3
72.01721	4.8
72.99289	2.9
73.02960	6.4
78.95908	3.9
83.01393	55.1
84.01703	7.8
85.02956	24.6
86.03286	5.9
87.00884	35.3
88.01228	4.9
99.00872	5.7
101.02436	2.5
107.91323	2.7
111.00870	3.1
113.02449	10.6
115.00377	57.3
116.00726	12.6
127.00334	5.7
152.99567	5.8
153.99965	3.1
155.00000	5.3
155.63683	2.2
157.01419	31.4
158.01794	12.1
160.73148	2.7
175.02469	87.8
176.02824	32.8
177.03011	3.8
274.22546	3.3
277.21725	21.2
278.22061	62.1
279.22955	3.0
318.21545	3.5
436.24185	100.0
437.24518	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	437.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
57.03448	2.3
58.00597	1.4
59.01379	100.0
60.01719	1.6
61.98829	7.9
69.03456	1.8
69.19769	1.3
69.20177	9.5
71.01379	34.9
72.99315	3.4
73.02946	15.1
75.00896	1.7
78.95904	1.1
83.01386	7.7
85.02950	22.7
86.00101	1.5
87.00883	4.4
87.04510	2.0
89.02464	9.3
89.06070	1.0
95.01395	3.5
97.02966	2.6
98.20597	1.8
99.00877	7.1
101.02442	33.6
103.04026	1.9
111.00935	1.5
112.01609	1.3
113.02451	15.9
115.04057	1.1
121.02940	1.6
123.30287	0.9
125.02462	2.9
131.03444	1.5
135.04524	3.3
143.03503	2.4
145.17732	1.0
150.03139	2.2
159.03004	3.0
161.02443	3.3
161.04550	12.2
163.03670	0.9
163.06142	2.1
165.05580	1.7
179.03517	2.9
208.68842	1.0
231.12399	1.7
237.07661	2.2
249.13428	39.3
250.13831	2.4
257.08127	1.5
275.18558	5.9
291.14478	3.4
345.96786	1.0
395.19202	72.4
396.19516	8.4
437.19183	3.9
437.24741	17.3
438.24463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03452	2.6
58.00594	0.7
59.01379	100.0
60.01717	1.0
61.98819	0.6
65.88659	0.5
69.03447	0.9
69.45687	1.6
69.46113	2.4
71.01378	27.4
72.99311	1.7
73.02943	14.2
75.00876	0.6
83.01393	5.3
85.02953	20.0
85.03458	1.2
86.00108	0.9
87.00873	3.3
87.04539	0.5
89.02436	5.0
95.01406	1.1
97.02966	2.1
99.00888	5.7
101.02446	33.7
103.04035	2.2
109.02871	0.6
111.00913	0.9
112.01691	0.8
113.02447	13.9
115.04015	1.2
119.03580	0.9
125.02457	3.2
127.04066	0.5
129.02007	1.0
131.03532	1.3
131.51163	0.5
131.91734	0.6
143.03487	3.0
159.03029	2.6
161.04549	8.8
163.06125	1.3
174.67430	0.5
183.10345	1.0
205.07295	0.9
231.12462	1.8
249.13426	44.8
250.13782	4.1
291.14584	2.1
395.19199	67.9
396.19559	8.0
437.20215	10.3
438.20697	1.1
450.64911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
57.03452	2.6
58.00594	0.7
59.01379	100.0
60.01717	1.0
61.98819	0.6
65.88659	0.5
69.03447	0.9
69.45687	1.6
69.46113	2.4
71.01378	27.4
72.99311	1.7
73.02943	14.2
75.00876	0.6
83.01393	5.3
85.02953	20.0
85.03458	1.2
86.00108	0.9
87.00873	3.3
87.04539	0.5
89.02436	5.0
95.01406	1.1
97.02966	2.1
99.00888	5.7
101.02446	33.7
103.04035	2.2
109.02871	0.6
111.00913	0.9
112.01691	0.8
113.02447	13.9
115.04015	1.2
119.03580	0.9
125.02457	3.2
127.04066	0.5
129.02007	1.0
131.03532	1.3
131.51163	0.5
131.91734	0.6
143.03487	3.0
159.03029	2.6
161.04549	8.8
163.06125	1.3
174.67430	0.5
183.10345	1.0
205.07295	0.9
231.12462	1.8
249.13426	44.8
250.13782	4.1
291.14584	2.1
395.19199	67.9
396.19559	8.0
437.20215	10.3
438.20697	1.1
450.64911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
57.03448	2.3
58.00597	1.4
59.01379	100.0
60.01719	1.6
61.98829	7.9
69.03456	1.8
69.19769	1.3
69.20177	9.5
71.01379	34.9
72.99315	3.4
73.02946	15.1
75.00896	1.7
78.95904	1.1
83.01386	7.7
85.02950	22.7
86.00101	1.5
87.00883	4.4
87.04510	2.0
89.02464	9.3
89.06070	1.0
95.01395	3.5
97.02966	2.6
98.20597	1.8
99.00877	7.1
101.02442	33.6
103.04026	1.9
111.00935	1.5
112.01609	1.3
113.02451	15.9
115.04057	1.1
121.02940	1.6
123.30287	0.9
125.02462	2.9
131.03444	1.5
135.04524	3.3
143.03503	2.4
145.17732	1.0
150.03139	2.2
159.03004	3.0
161.02443	3.3
161.04550	12.2
163.03670	0.9
163.06142	2.1
165.05580	1.7
179.03517	2.9
208.68842	1.0
231.12399	1.7
237.07661	2.2
249.13428	39.3
250.13831	2.4
257.08127	1.5
275.18558	5.9
291.14478	3.4
345.96786	1.0
395.19202	72.4
396.19516	8.4
437.19183	3.9
437.24741	17.3
438.24463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71705	0.5
55.01877	6.2
57.03450	5.7
58.00603	3.3
59.01383	60.7
61.98838	3.5
64.77039	0.5
69.03455	1.6
71.01385	69.9
72.01726	1.1
72.99308	4.6
73.02950	32.0
75.00866	1.7
81.03472	0.7
81.36246	0.6
83.01392	15.1
85.02955	43.3
86.00108	2.1
86.03300	0.6
87.00881	6.0
87.04514	0.6
89.02450	12.6
95.01376	6.0
97.02953	2.5
98.19844	1.4
99.00883	11.5
101.02448	72.3
102.02773	1.8
103.04008	5.7
111.00884	2.7
112.01674	0.7
113.02451	30.8
114.02775	0.7
115.04021	1.7
119.03517	3.5
125.02459	3.1
127.04033	1.5
127.11259	0.8
129.01978	1.9
131.03523	1.9
139.08176	0.6
143.03513	4.7
145.05087	1.3
146.90329	0.6
159.02957	6.3
161.04561	33.7
162.04887	1.2
163.06145	3.0
205.03642	0.9
205.07190	2.2
225.14842	0.8
230.00249	0.7
273.17188	0.9
280.85025	0.7
291.18146	100.0
292.18481	8.2
335.17212	0.7
437.23914	65.3
438.24338	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	437.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.4
57.03454	5.0
58.00602	3.0
59.01381	63.6
61.98819	4.5
63.97644	0.5
68.99810	0.7
69.03455	1.6
69.83197	0.6
71.01381	69.7
71.56465	0.9
72.01726	1.2
72.99301	3.7
73.02946	30.4
73.75379	0.6
75.00867	1.7
83.01392	14.3
85.02950	42.3
86.00103	2.2
86.03296	0.7
87.00883	4.8
87.04507	1.3
89.02451	13.0
95.01398	5.1
97.02946	2.6
99.00893	8.7
101.02447	65.0
102.02773	2.1
103.04007	7.0
111.00880	1.9
113.02450	27.3
114.02792	0.8
115.04080	0.8
118.08344	0.7
118.37193	0.7
119.03512	3.9
125.02445	2.3
127.04090	0.7
129.01933	1.3
131.03525	1.7
143.03508	5.8
145.05016	1.5
159.03001	7.0
161.04568	32.1
163.06107	2.9
205.03511	1.4
205.07179	1.6
273.17090	1.2
291.18130	100.0
292.18448	9.1
343.93738	0.7
360.09570	0.8
437.23904	60.3
438.24228	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	437.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71705	0.5
55.01877	6.2
57.03450	5.7
58.00603	3.3
59.01383	60.7
61.98838	3.5
64.77039	0.5
69.03455	1.6
71.01385	69.9
72.01726	1.1
72.99308	4.6
73.02950	32.0
75.00866	1.7
81.03472	0.7
81.36246	0.6
83.01392	15.1
85.02955	43.3
86.00108	2.1
86.03300	0.6
87.00881	6.0
87.04514	0.6
89.02450	12.6
95.01376	6.0
97.02953	2.5
98.19844	1.4
99.00883	11.5
101.02448	72.3
102.02773	1.8
103.04008	5.7
111.00884	2.7
112.01674	0.7
113.02451	30.8
114.02775	0.7
115.04021	1.7
119.03517	3.5
125.02459	3.1
127.04033	1.5
127.11259	0.8
129.01978	1.9
131.03523	1.9
139.08176	0.6
143.03513	4.7
145.05087	1.3
146.90329	0.6
159.02957	6.3
161.04561	33.7
162.04887	1.2
163.06145	3.0
205.03642	0.9
205.07190	2.2
225.14842	0.8
230.00249	0.7
273.17188	0.9
280.85025	0.7
291.18146	100.0
292.18481	8.2
335.17212	0.7
437.23914	65.3
438.24338	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	437.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59201	0.3
55.01880	6.3
56.97424	0.4
57.03446	4.4
58.00596	2.4
59.01378	61.4
60.01700	0.7
61.98827	1.4
67.01891	0.4
68.99817	0.4
69.03460	1.3
69.37791	1.5
69.38197	1.1
71.01381	65.7
72.01726	1.0
72.99309	3.2
73.02945	30.9
74.03283	0.4
75.00869	1.1
75.43575	0.3
81.03475	0.7
83.01386	14.5
84.01720	0.4
85.02950	40.6
86.00104	2.5
86.03307	0.8
87.00876	4.9
87.04512	1.7
89.02444	12.0
95.01384	5.6
97.02966	2.3
99.00879	10.2
99.04509	0.5
101.02441	62.0
102.02800	1.7
103.04004	6.1
109.02956	0.4
111.00893	1.9
112.01677	1.0
113.02448	28.7
114.02780	1.0
115.04014	2.0
119.03505	3.6
125.02441	1.6
127.04005	0.8
127.11259	0.6
129.01933	1.6
129.12869	0.6
131.03500	1.6
141.01990	0.5
143.03496	4.7
144.03786	0.4
145.05060	1.3
159.02968	6.4
161.04549	35.5
162.04915	1.4
163.06111	3.4
205.03499	0.8
205.07201	2.0
273.17136	0.6
291.18118	100.0
292.18460	8.7
298.28421	0.4
298.96201	0.4
335.16879	0.5
437.23886	60.0
438.24222	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	437.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.81284	0.6
57.03439	3.1
58.00588	0.9
59.01379	12.8
61.98814	0.8
63.97795	0.6
67.01893	3.7
71.01382	17.7
71.13217	1.6
72.99297	3.1
73.02934	1.7
83.01386	3.5
85.02953	47.4
86.03304	1.1
87.00879	56.7
88.01220	1.2
98.20879	0.7
111.00874	1.7
112.98791	3.7
113.02457	1.6
115.00381	48.4
116.00703	0.8
129.01958	9.1
157.01427	63.4
158.01750	1.9
172.69075	0.8
175.02478	26.7
176.02745	0.9
202.76591	0.7
237.33943	0.7
261.22110	0.8
279.23282	100.0
280.23572	10.5
325.18390	1.2
343.55151	0.8
437.25418	45.8
438.25818	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	438.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88305	0.5
61.98830	100.0
69.93514	1.2
69.93914	0.8
72.50906	0.5
77.22141	0.4
78.95913	4.7
96.96020	6.3
96.96961	10.0
111.08418	0.6
113.33862	0.5
118.96648	0.6
144.06577	0.5
217.00414	0.6
335.17850	0.7
344.43341	0.6
442.28937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.72007	2.5
76.39635	0.5
88.17298	0.3
91.00967	0.4
96.96951	1.0
111.64034	0.4
141.94202	0.4
384.18356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84069	0.2
70.14276	0.4
70.14645	0.4
78.95908	18.3
101.77940	0.2
122.00134	0.7
140.01204	4.9
152.99580	1.3
166.02762	0.3
172.32761	0.2
196.03799	9.3
214.04843	1.9
241.21724	100.0
242.22067	9.1
259.99155	0.3
352.78445	0.3
369.53351	0.2
438.26239	19.9
439.26590	3.0
442.37888	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28824	0.4
59.33041	0.4
59.67496	0.4
68.04102	0.4
69.70068	1.5
69.70481	1.0
75.61526	0.5
78.95906	35.5
79.79356	0.4
79.95741	1.8
96.36999	0.5
96.96013	100.0
96.96960	77.8
97.95950	0.6
98.62596	0.4
121.20603	0.4
127.47184	0.5
279.36670	0.4
428.26965	0.5
439.08539	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
69.68118	0.8
69.68528	2.0
78.95907	9.3
79.95738	2.6
84.04061	0.4
96.96015	100.0
96.96935	17.6
175.02477	0.4
285.05350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	7.8
56.85618	3.3
59.01389	25.1
60.90021	3.9
61.98832	100.0
71.01390	17.4
73.02960	13.8
83.01386	21.1
83.05009	5.3
83.45242	3.7
89.02457	6.7
99.00903	6.6
101.02452	8.7
111.00889	15.6
113.02435	5.1
129.01944	4.6
149.22969	3.9
154.99881	32.7
161.06050	4.2
163.04002	8.8
165.05495	5.8
187.04042	5.2
189.36041	3.9
195.06651	7.2
223.06099	10.6
229.05045	4.7
333.05313	5.7
365.04636	5.7
393.05829	4.5
405.20523	4.5
442.10464	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	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74117	0.6
55.01869	1.1
57.03459	1.2
57.33579	0.6
59.01382	6.5
61.98830	3.1
67.01897	0.6
67.63998	0.6
67.75732	0.5
71.01395	3.8
71.55988	0.8
72.99311	2.2
73.08569	0.5
73.13283	0.5
75.00874	0.9
78.95923	1.0
79.98690	0.6
83.01381	0.7
85.02940	3.0
86.49269	0.5
89.02446	1.1
93.03455	2.9
95.01380	1.6
96.96011	14.5
96.96989	2.1
99.00920	0.7
101.02430	1.5
105.01949	0.5
108.02172	0.8
108.44155	0.5
109.02934	1.1
113.02446	1.3
115.00387	0.8
119.03519	0.6
119.05002	1.8
121.02987	2.8
122.03743	8.1
123.04485	0.5
125.02433	1.2
127.04020	0.8
133.02956	1.3
133.06593	9.1
135.04530	0.7
136.01654	1.1
137.02477	4.6
137.06082	1.0
139.00394	1.0
143.05112	0.6
145.02960	1.0
147.04463	0.6
148.75201	0.5
149.02443	22.0
150.03227	55.5
151.03748	1.7
159.04543	0.7
161.02440	0.9
161.04578	1.3
164.04799	5.7
165.01929	29.9
165.05566	55.6
166.02313	2.2
166.05891	3.0
173.05946	0.9
177.05539	0.6
179.03542	0.9
180.04292	24.2
181.04784	1.9
195.06619	100.0
196.06944	6.9
199.07617	0.9
214.06335	0.7
215.07126	3.2
223.06088	1.0
233.08133	4.4
243.08717	2.5
253.05029	1.1
269.04416	0.7
277.07303	0.7
281.13858	0.8
301.07199	2.3
316.09570	1.6
331.11874	10.1
332.12506	1.1
391.09094	0.6
391.13974	13.4
392.14389	2.0
395.13306	1.2
407.12231	0.6
439.16385	6.5
440.16724	1.0
447.09488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45588	0.7
57.02742	0.9
57.03414	1.0
59.01379	8.8
61.98834	8.8
71.01386	2.9
71.55706	1.4
72.99301	1.1
75.00890	1.2
77.82870	0.9
78.07835	0.9
85.02960	3.2
89.02462	2.1
90.40172	0.8
93.03452	2.0
96.96009	1.6
96.96974	1.0
101.02448	2.0
111.00871	1.3
113.02469	1.3
115.65564	1.0
121.02998	2.7
121.44940	0.8
122.03756	7.6
125.02449	1.4
135.04578	1.4
137.02454	4.1
137.06088	0.9
149.02449	20.5
150.03236	55.6
151.03630	1.3
160.96187	0.9
161.04527	1.2
163.04060	1.2
164.04825	4.8
165.01939	27.5
165.05574	57.2
166.02217	0.9
166.05931	3.2
179.03511	1.1
180.04294	24.7
181.04909	1.4
195.06625	100.0
196.06946	5.3
243.08693	1.6
253.04956	0.9
301.07214	2.3
316.09460	2.3
331.11856	9.0
338.28543	1.0
340.67752	0.9
364.04233	1.0
380.13858	0.8
389.88211	0.9
391.13959	12.0
392.14221	1.8
397.16904	1.4
439.16946	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
61.98832	5.3
66.24490	0.5
67.72279	0.5
70.19900	0.6
71.01373	2.1
71.57087	0.5
72.99303	0.7
75.00866	0.8
83.01415	0.9
85.02934	1.9
89.02455	1.8
93.02939	0.7
93.03417	2.8
96.95990	2.9
101.02467	1.5
109.02951	0.9
111.00876	0.8
113.02451	1.5
119.05013	0.8
121.02966	2.6
122.03741	7.7
123.00882	0.6
123.04520	0.9
127.04032	0.7
133.02959	1.9
135.02972	0.9
135.04503	1.8
136.01685	1.0
137.02412	5.6
137.06044	1.3
145.02914	1.0
149.02443	21.8
150.03224	52.2
151.03561	3.0
155.58211	0.6
163.03964	0.8
164.04773	6.1
165.01924	30.6
165.05566	51.7
165.79121	0.5
166.02415	0.6
166.05894	2.0
173.06120	0.7
176.52271	0.5
177.91458	0.5
180.04286	25.7
181.04819	1.6
195.06616	100.0
196.06964	6.7
215.07120	0.6
216.86632	0.5
243.08698	6.7
244.09019	0.8
253.05072	0.8
284.06482	0.6
301.07126	2.5
315.08725	1.1
316.09406	1.8
331.11862	7.4
332.12006	1.0
391.13959	13.7
392.14407	1.7
439.16638	2.5
440.16919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10771	2.2
51.28915	2.6
51.95636	2.5
55.79827	2.2
57.03438	4.1
59.01381	47.1
59.27415	2.7
60.99310	3.9
61.98833	17.3
63.15759	2.4
71.01382	63.7
71.55734	4.0
71.56125	3.6
72.99324	3.8
73.02958	12.5
73.46103	2.2
75.00851	3.7
78.20221	2.3
83.01408	4.6
85.02976	22.4
87.00869	6.0
88.00449	2.6
88.98814	43.9
89.02446	100.0
93.03477	3.5
95.01414	2.4
96.96015	8.1
96.96957	4.6
97.02976	2.9
99.00884	2.7
101.02455	27.8
111.00878	3.9
112.98532	3.3
113.02454	11.2
117.05602	13.4
119.03519	6.0
119.05009	3.7
123.04498	4.3
125.02425	8.0
127.04031	2.9
129.01907	3.0
133.60129	2.6
134.03815	3.7
135.03020	5.0
135.04514	8.1
143.18967	2.8
149.02473	3.2
150.03224	11.4
153.01965	3.2
161.04568	11.7
164.01099	2.9
164.04781	2.9
165.05542	8.2
180.04393	3.7
184.87314	2.5
195.06648	12.6
253.05005	10.2
255.02840	3.0
261.09811	23.2
284.03149	5.2
285.04340	3.9
293.15985	22.3
294.16446	3.0
294.20020	2.5
322.34555	2.9
328.17496	3.0
395.88953	2.6
397.16974	4.8
439.08182	3.7
439.17722	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49829	2.9
52.99946	2.3
59.01379	5.7
59.93264	2.3
62.14284	2.2
73.02942	7.4
83.01376	3.7
85.02952	5.6
87.00903	3.2
115.00370	4.7
160.28857	2.2
160.84206	7.0
161.04555	15.4
162.83937	18.3
175.02455	7.3
245.10780	2.7
277.21729	100.0
278.22012	10.4
281.24814	5.8
321.31598	2.8
437.17749	2.6
439.05896	3.4
439.27124	9.3
440.05344	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
59.01614	0.3
61.98853	0.5
62.36225	0.3
63.33742	0.3
69.26143	3.1
71.01392	2.2
72.48633	0.3
73.02942	0.5
84.41409	0.3
85.02953	0.8
92.90833	0.4
95.05074	0.4
98.19839	0.7
101.02438	0.6
113.02441	1.0
149.85777	0.3
161.04514	0.6
171.10251	0.4
277.21719	100.0
278.22037	9.5
291.23352	0.6
319.22678	0.7
331.22882	0.6
395.46664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63221	2.2
55.01865	6.5
57.03439	15.1
59.01373	15.4
61.40631	2.4
62.83204	2.3
67.01885	9.1
71.01386	4.4
71.32940	4.2
83.01386	32.5
85.02949	79.3
99.04520	3.3
101.02415	2.7
111.00883	100.0
127.04013	6.5
129.01923	32.2
133.08728	2.5
134.03740	17.0
138.21748	2.3
160.01666	11.5
175.04019	11.4
175.22169	2.6
179.03574	2.9
187.02498	8.6
193.05031	10.5
205.03528	23.3
240.46947	2.5
265.05652	27.8
265.56152	2.7
344.71454	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	441.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.2
57.03441	6.3
57.97085	1.1
59.01382	9.8
62.03719	1.1
67.01890	12.5
69.48641	10.0
71.01390	1.9
72.99319	1.4
81.03453	1.2
83.01383	30.5
84.02177	1.6
85.02952	42.9
89.03983	1.1
93.12033	1.2
99.00838	1.5
99.04508	5.7
103.01109	1.2
111.00879	100.0
112.01222	3.2
117.03477	2.0
127.04011	5.1
128.91060	1.1
129.01935	12.0
132.02162	2.2
134.03748	18.2
134.75221	1.3
143.03490	2.2
149.06079	1.4
157.28328	1.2
160.01660	11.3
161.02205	1.4
161.04503	4.8
171.02969	1.9
175.03990	16.3
176.04405	1.2
178.02615	1.4
187.02463	9.0
193.05063	20.6
203.05576	3.0
205.03540	5.8
247.60184	1.2
261.07855	2.3
265.05719	4.8
385.99570	1.1
405.50461	1.2
405.55893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26847	1.2
55.01873	5.4
57.03445	11.8
59.01375	13.8
59.30260	1.1
67.01895	11.0
68.02236	1.2
69.03451	1.5
71.01403	4.2
83.01386	30.6
84.02166	2.3
85.02956	78.8
91.15150	1.3
98.20681	2.2
99.04527	2.8
101.02432	2.1
111.00885	100.0
111.74754	1.4
112.01181	3.2
127.04031	4.0
129.01952	33.4
132.02170	3.0
134.03738	17.1
143.03493	1.2
160.01649	7.9
161.04549	3.9
171.02974	1.8
175.03967	13.5
175.68132	1.2
187.02509	9.3
193.05087	12.5
203.05479	1.7
205.03539	25.0
209.28421	1.4
217.26366	1.4
223.04691	1.6
226.71095	1.3
247.04489	1.5
261.07605	1.5
265.05624	26.6
266.05893	2.1
321.00146	1.3
447.49420	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88491	6.0
59.01378	74.9
61.98829	71.7
69.95941	15.3
69.96329	17.4
71.01380	60.3
73.02925	15.5
83.01393	6.6
85.02968	9.6
89.02439	71.9
96.95989	14.2
99.00871	8.2
101.02447	32.2
113.02431	29.1
119.03512	23.4
143.03494	8.2
154.31120	7.8
159.21033	6.8
161.04604	16.0
165.01894	21.7
177.01942	8.8
179.03493	37.4
179.05673	41.1
180.04227	27.2
192.04274	9.4
193.04993	12.9
194.05824	23.2
195.06636	100.0
211.06096	16.9
225.07715	56.5
241.07188	28.6
262.86191	6.6
319.27866	7.0
341.10876	86.1
342.11078	8.5
357.12051	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1766
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01875	4.7
57.03453	4.5
58.00596	1.8
59.01379	47.5
61.98826	1.8
62.91308	0.7
69.03461	2.2
71.01382	100.0
71.56193	0.7
72.01713	1.4
72.19218	0.9
72.99326	3.9
73.02947	35.6
75.00886	1.1
77.80315	0.7
81.03441	1.1
83.01388	12.2
84.02174	0.9
85.02954	46.6
86.00089	1.6
87.00886	8.1
87.04527	2.1
88.93635	0.6
89.02445	13.3
95.01370	6.8
97.02943	3.1
99.00880	11.4
99.04534	0.8
100.01225	0.8
101.02446	51.0
102.02782	1.3
103.04025	6.8
113.02452	43.8
114.02769	0.9
115.04034	2.2
115.05543	2.2
119.03493	3.5
125.02466	3.5
127.04015	1.0
131.03528	4.4
131.04985	5.0
133.06602	8.1
143.03503	12.0
145.05016	1.7
159.02989	10.3
160.16031	0.9
161.04558	72.6
162.04893	2.5
163.06149	3.7
167.66705	0.8
195.06506	1.0
205.03403	1.1
205.05226	1.4
205.07132	7.6
207.79459	0.8
266.96906	0.9
277.10779	1.0
441.17688	40.4
442.17776	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	441.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80059	4.0
52.39146	3.9
55.01974	4.0
58.98212	3.5
59.01379	19.2
61.98825	45.3
63.33806	3.8
69.37283	34.7
71.01377	11.6
71.05016	17.3
72.99317	7.3
75.00861	13.5
78.95878	4.9
85.02947	6.8
89.02428	8.8
98.19884	5.9
98.95597	5.2
101.02462	6.8
101.45816	3.6
107.12537	4.7
117.04810	7.5
117.05579	100.0
123.04500	6.2
125.02424	9.9
128.54520	4.0
134.04744	9.7
135.04497	5.5
155.67798	4.1
253.05070	4.5
324.36435	4.3
441.19318	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	441.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62960	3.1
59.01380	40.0
61.98822	10.8
71.01382	36.8
71.56363	6.3
73.02942	18.5
83.01400	8.7
85.02950	26.0
89.02430	6.1
95.01414	6.3
99.00883	6.7
101.02451	35.6
111.00857	8.9
113.02449	15.5
125.02459	4.6
134.03627	4.4
161.04543	11.3
174.01746	5.0
175.02498	4.1
175.03960	4.5
235.11830	53.8
381.17627	100.0
382.18185	8.1
416.30838	3.8
441.19025	22.4
442.19058	4.0
448.38574	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	441.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34635	4.6
59.01377	30.8
68.92707	5.6
69.22317	53.3
69.22648	6.1
70.36695	5.9
71.01371	29.9
73.02943	16.4
83.01390	12.1
85.02951	17.6
101.02457	35.1
111.00853	6.9
113.02435	16.9
161.04588	11.9
169.01387	17.7
220.01413	5.2
235.11830	49.4
244.41988	5.5
297.83093	5.6
381.17664	100.0
382.18051	11.3
441.19156	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	441.2492
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	1.4
69.28369	2.2
71.01379	5.6
73.02944	2.3
78.12629	0.3
83.01399	1.0
85.02940	1.9
89.02438	1.8
95.01411	0.3
97.84660	0.2
101.02430	3.3
113.02452	2.9
116.32087	0.2
119.03502	0.6
125.02453	0.3
149.04486	0.2
152.17880	0.3
161.04587	0.7
244.07327	0.2
246.03171	0.2
356.36374	0.2
381.22668	0.3
399.24023	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	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
58.00581	0.4
59.01378	100.0
60.01719	0.7
61.98826	1.4
71.01382	3.6
71.51884	0.3
72.99310	0.3
73.02951	0.8
78.25750	0.3
83.01381	0.8
85.02946	1.5
87.00861	0.3
89.02437	2.0
95.01398	0.6
98.20663	0.7
99.00912	0.4
101.02425	1.7
101.58635	0.3
113.02446	1.8
119.03507	0.5
128.67482	0.3
146.93713	0.3
153.55365	0.3
161.04593	0.8
175.44893	0.3
179.05704	0.4
229.49020	0.4
240.28217	0.3
255.08885	0.3
269.44153	0.3
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
59.01380	100.0
60.01707	1.0
61.98834	1.3
71.01386	4.9
71.56061	0.6
72.99333	0.7
73.02959	0.9
73.53631	0.4
75.00900	0.5
83.01413	0.4
85.02967	1.2
89.02449	1.4
101.02448	2.5
113.02464	1.9
119.03521	0.8
121.94797	0.4
133.68193	0.4
150.06277	0.4
150.97020	0.4
161.04620	1.1
162.83392	0.4
187.47385	0.4
266.55466	0.5
349.38016	0.4
362.29440	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98822	2.0
62.46712	1.8
71.01366	4.4
85.02943	2.0
101.02431	3.3
116.91312	1.8
119.03465	2.1
141.22876	1.5
173.72572	1.8
343.26761	1.6
441.27750	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75103	4.2
64.75404	4.2
67.18454	4.7
67.52183	4.6
69.19370	36.7
69.19773	11.7
96.95985	8.6
100.21704	4.5
101.88597	5.2
109.15591	4.1
119.39402	4.3
119.66175	4.0
122.63464	4.4
160.84186	9.9
161.04553	17.7
162.83899	13.7
255.23193	4.6
279.23297	100.0
280.23679	12.3
290.78888	4.4
295.20490	5.3
387.26669	4.6
387.31552	5.2
400.86874	4.9
442.06821	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	443.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.7
61.98816	0.7
69.36515	2.3
71.01385	3.4
73.01652	0.3
73.02932	0.8
83.01399	0.3
85.02937	1.5
87.00877	0.4
89.02451	0.9
93.03447	0.3
93.47506	0.3
94.06237	0.3
101.02448	1.6
107.05033	1.0
113.02449	1.0
117.03473	26.6
118.03833	1.0
119.05031	7.1
120.05336	0.3
121.02945	0.5
124.32812	0.3
130.08731	0.6
134.03741	6.9
135.04533	21.0
135.08148	3.9
136.04849	1.1
143.03532	0.5
144.04582	0.4
145.02957	100.0
146.03307	5.3
161.04567	2.3
161.05917	0.6
163.04012	7.0
164.04384	0.3
187.04057	0.4
205.04990	0.5
229.56763	0.3
252.40625	0.3
307.08224	18.3
308.08566	2.0
425.08154	0.4
425.18137	0.3
443.13525	32.2
444.13953	5.0
444.19742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01863	1.6
57.03440	1.4
58.00581	1.9
59.01381	45.1
69.62084	3.4
71.01383	29.3
72.99296	1.9
73.02938	4.7
78.92260	0.5
80.32188	0.5
83.01381	3.9
83.04992	0.5
85.02952	10.5
87.00864	1.2
89.02443	19.5
91.66318	0.6
95.01369	3.2
99.00873	1.7
101.02444	20.8
111.04538	0.9
113.01252	0.6
113.02460	9.8
119.03505	8.0
123.08167	0.7
125.02388	0.6
155.81761	0.5
161.04578	1.2
171.11804	0.6
172.43478	0.6
189.12779	1.5
209.89775	0.5
219.13873	1.4
237.15009	1.6
260.83701	0.5
281.13962	0.7
289.18933	0.6
443.19193	100.0
444.19571	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	443.1925
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01874	3.1
57.03448	2.1
58.00611	2.0
59.01382	46.2
60.01697	1.4
61.98834	11.4
68.51355	0.7
69.74189	4.6
71.01382	32.0
72.01728	1.0
72.99303	2.6
73.02956	6.7
83.01405	5.3
83.05010	1.1
85.02955	11.8
86.42105	0.7
87.00872	2.9
89.02447	22.7
95.01395	2.1
95.04994	0.8
98.20750	0.7
99.00863	2.5
101.02450	22.6
111.04547	0.9
113.02457	12.5
119.03513	7.3
121.06591	1.1
123.08204	0.8
131.03516	0.9
135.04518	2.3
136.90347	0.7
144.02811	0.9
146.95099	0.8
159.03098	0.9
161.04555	3.0
171.11821	1.1
189.12868	2.1
204.65222	0.8
232.66852	0.8
233.13445	0.8
237.14955	1.9
281.13995	3.2
432.30927	0.8
443.19214	100.0
444.19543	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	443.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76231	0.6
59.01373	0.8
65.34105	0.6
71.55629	0.6
72.46579	0.6
78.33871	0.6
93.67943	0.6
136.58722	0.7
159.08452	3.9
161.06380	1.2
171.27461	0.6
173.90984	0.6
217.07181	1.2
240.80214	0.6
242.23680	0.5
259.99509	0.8
277.07474	1.8
278.07285	1.0
285.13620	0.6
293.06866	0.6
345.13898	1.6
357.13776	2.0
359.15350	100.0
360.15503	15.5
425.20218	1.1
427.21613	51.0
428.21671	9.8
443.24768	6.8
444.24728	1.3
454.92795	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70966	0.4
57.01418	0.4
64.97749	0.4
69.35271	3.6
74.99082	0.6
83.53918	0.4
86.33668	0.4
87.51269	0.4
93.00121	0.4
98.20599	0.8
102.24869	0.5
159.08453	4.3
161.06403	1.0
173.92778	0.4
217.07195	1.0
218.05882	0.6
242.38585	0.4
261.04459	0.7
275.05893	0.5
277.04898	0.5
277.07513	2.8
345.13824	1.0
357.13855	2.2
358.13583	0.4
359.15329	100.0
360.15500	16.2
377.16434	0.6
425.20129	0.6
427.21585	49.3
428.21799	10.5
443.24808	7.6
443.31506	1.2
444.24951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63454	1.8
57.77081	1.8
59.01370	3.4
61.98817	8.7
67.61149	1.6
69.38258	14.8
72.34829	1.7
102.68671	1.9
110.49632	1.6
121.74139	2.0
145.02956	3.7
151.78235	1.8
179.36147	1.7
192.78337	2.1
307.30045	100.0
308.30386	11.3
322.54999	1.7
351.29007	50.7
352.29105	4.3
369.30054	97.9
370.30307	12.4
443.33755	49.6
444.34283	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	444.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.4
61.98830	100.0
70.03008	0.6
71.32488	1.1
89.02425	0.9
93.73776	0.5
96.00924	1.0
110.37824	0.6
114.01978	1.4
129.10361	1.0
131.04657	1.9
151.08766	0.7
168.11488	1.3
236.68553	0.6
248.22244	0.5
281.19763	2.8
299.21014	1.3
310.18445	0.6
400.22141	0.7
440.12222	0.7
444.24402	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	444.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.0
61.98830	100.0
65.55453	0.4
67.11871	0.5
71.01382	2.0
71.04130	0.7
71.04449	0.6
89.02454	2.4
101.02459	1.3
113.02443	0.8
119.03503	0.6
130.66408	0.5
133.06648	0.5
189.88503	0.5
205.07254	0.7
208.17427	0.5
212.05388	0.5
302.33884	0.6
444.24576	0.6
445.17334	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	444.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62875	1.2
59.01380	13.4
61.98830	100.0
63.08964	1.2
64.32018	1.3
71.01367	2.7
71.35066	2.6
85.91610	1.3
91.69862	1.1
121.02938	2.1
139.38182	1.3
159.85652	1.3
212.96465	1.2
295.21622	1.2
385.18665	2.1
445.29767	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	445.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56182	0.4
59.01385	5.2
61.57809	0.4
61.98819	1.6
63.02404	2.8
65.00333	2.4
71.01379	1.5
71.57103	0.4
73.02972	0.6
75.00877	1.1
77.19306	0.4
83.01398	2.2
85.02980	0.5
89.02449	1.2
89.97344	0.4
93.03467	2.5
95.01382	0.9
99.00896	0.4
101.02466	1.1
107.01398	4.1
108.02186	0.4
109.02937	1.1
113.02426	1.0
116.77086	0.3
117.03485	0.5
121.02970	0.5
123.04514	0.5
135.00929	0.4
137.02469	0.6
143.03409	0.4
143.05023	1.1
145.02950	1.1
151.00381	10.4
153.09209	0.8
154.04262	0.7
159.04457	0.9
161.04591	0.8
163.00410	1.9
164.01126	1.7
165.01897	0.4
167.23576	0.4
169.01462	1.1
169.06593	0.9
169.40817	0.4
171.04489	0.9
178.99844	0.9
183.04446	0.5
185.06088	1.6
187.03986	0.7
201.05640	0.4
211.03996	0.9
213.05519	1.2
214.02577	0.5
225.95213	0.4
226.02919	0.4
227.03476	1.9
229.05035	3.5
230.78180	0.4
239.03514	1.3
240.04169	0.7
241.04955	0.5
243.02977	1.3
255.03014	4.4
256.03702	0.6
257.04541	4.8
269.04413	0.5
271.02527	4.3
272.02924	0.6
277.42108	0.4
283.02341	0.4
284.03302	1.5
285.04050	100.0
286.04404	8.6
300.02756	5.2
301.03467	9.3
302.03885	0.4
385.18311	0.4
409.43594	0.4
435.86798	0.4
445.07657	4.8
446.08292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59941	1.0
55.01871	1.5
57.03440	4.4
58.00587	3.4
59.01379	100.0
61.84787	1.2
61.98827	8.1
69.03440	2.3
69.38246	5.6
69.38667	3.8
71.01382	61.7
72.99296	5.2
73.02946	14.5
83.01383	5.1
85.02954	19.5
86.00068	1.8
87.00873	12.1
87.04510	2.7
89.02443	57.4
93.03436	1.3
95.01376	4.1
95.05023	1.4
97.02930	4.1
98.19794	2.0
99.00900	2.9
99.04518	2.1
101.01785	2.1
101.02448	38.9
103.04027	7.6
105.01916	2.7
113.02449	22.8
113.03633	1.2
114.02752	1.6
115.03999	5.3
117.85155	1.2
119.03514	28.8
119.05021	25.1
123.00844	1.4
124.01633	2.6
125.02416	2.3
125.06084	2.3
128.03554	1.3
131.03516	12.0
136.05254	1.5
137.06050	5.2
138.05717	1.7
138.06845	8.8
143.03505	13.8
145.05046	2.8
149.04462	1.4
151.07631	5.7
153.09221	17.5
161.02391	1.7
161.04539	12.5
163.04010	1.7
163.06108	12.8
163.11296	3.3
178.02689	2.6
179.05595	11.3
179.10754	2.7
193.04988	3.3
195.06651	2.2
205.07169	13.0
205.12329	7.7
221.06683	6.3
223.05992	1.9
223.13484	3.9
247.08228	3.9
283.15491	4.2
299.11368	24.9
300.11725	1.8
445.16199	53.4
445.21762	12.7
446.16425	5.7
446.22351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60907	1.6
57.03430	4.5
58.00585	4.9
59.01381	100.0
60.99327	2.0
61.98821	19.4
69.03425	2.5
70.68593	2.1
70.68950	3.2
71.01379	49.3
72.99297	7.3
73.02943	16.1
75.00864	5.1
83.01378	4.5
85.02952	17.9
86.00091	3.2
87.00883	16.4
87.04506	2.6
88.98811	8.2
89.02446	56.2
95.01396	4.3
96.96021	4.1
96.96968	3.1
101.02449	37.1
103.00381	3.2
103.04002	7.6
107.05012	5.0
108.02184	4.1
109.02934	5.2
112.59460	2.0
113.02451	22.0
115.04025	4.9
119.03515	25.2
119.05068	10.8
123.04528	10.7
128.03532	4.5
131.03497	9.9
137.06128	2.8
143.03517	12.3
149.02431	7.6
149.04590	2.7
152.01131	6.2
153.01955	6.5
153.09151	3.3
161.04506	6.8
161.05943	1.7
163.06137	14.0
163.07478	2.9
167.03458	5.2
179.05591	8.9
180.07944	4.5
181.08659	7.8
189.84549	2.3
205.07191	14.7
205.12206	2.2
219.77475	2.1
234.28981	1.7
247.08136	5.2
283.02405	7.2
299.11380	25.7
300.11520	2.3
322.70975	1.9
401.11569	2.4
445.17578	46.1
446.08353	2.2
446.17191	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	445.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98826	9.1
71.01391	1.5
71.55697	1.3
76.23572	1.0
77.10352	1.1
78.95905	5.2
79.62526	1.0
89.02458	0.8
102.78717	0.9
111.70109	0.9
121.02952	1.5
129.48399	0.8
149.00113	5.7
152.08411	1.0
153.09209	2.6
205.15956	4.5
213.96817	1.0
223.13443	1.2
223.89519	1.0
238.11328	1.1
355.16754	21.5
356.16986	2.6
385.17834	13.4
386.18246	1.3
445.11462	1.4
445.20041	2.2
445.29837	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.0
57.03443	2.5
58.00584	2.5
59.01381	100.0
60.01696	1.4
61.98832	30.4
63.81903	1.1
68.74274	1.2
71.01000	2.1
71.01382	41.4
71.56152	1.8
72.01704	1.4
72.99302	2.2
73.02948	11.8
75.00876	1.3
83.01381	3.9
85.02959	16.2
87.00871	3.3
89.02443	31.8
95.01385	4.9
99.00890	3.1
101.02444	24.8
113.02457	25.3
115.04018	1.9
119.03501	11.5
121.06564	1.4
122.03738	19.1
123.00884	1.2
125.02422	3.1
131.03502	1.6
137.06091	16.7
137.09718	12.6
143.03481	6.4
152.08397	1.9
153.09200	7.8
153.81714	1.2
159.02934	3.2
161.04536	22.1
163.06046	1.3
163.11203	1.9
168.00600	1.8
175.11143	1.6
179.05646	9.3
194.86484	1.4
205.07179	2.3
205.10611	1.4
205.12331	15.0
223.13312	3.0
229.39911	1.2
325.03607	2.0
385.18735	11.7
386.18958	1.5
445.07596	2.7
445.16898	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	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.2
57.03451	4.1
59.01378	100.0
60.01713	1.2
61.98823	1.3
62.25034	0.9
69.65428	5.5
71.01380	25.6
73.02934	7.9
83.01379	1.5
83.04990	0.9
85.02950	10.6
89.02433	4.7
95.01353	1.6
97.02974	1.7
98.20681	0.8
99.00869	3.2
101.02441	12.9
111.57698	0.8
113.02454	10.6
113.06071	1.3
119.03482	1.0
125.02429	0.8
137.09729	1.3
142.59938	0.9
143.03474	1.0
143.10709	1.0
151.07574	0.8
152.08289	0.9
153.05576	1.1
153.09177	3.4
159.02994	3.6
161.04550	18.4
165.09193	1.9
170.89499	1.0
187.11200	1.6
205.12329	4.5
210.35089	0.9
223.13374	15.0
254.64491	0.9
269.04379	1.5
297.03925	2.0
325.03665	0.9
338.96133	0.9
385.19006	1.2
445.07596	2.8
445.20819	1.7
466.25278	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58778	0.5
58.00588	0.6
59.01381	100.0
60.01689	0.7
60.18538	0.6
61.98833	1.8
69.03490	0.6
71.01382	11.4
71.56500	0.7
72.99336	0.9
73.02948	2.2
75.00886	1.4
83.01366	1.0
83.69587	0.6
85.02953	2.5
87.00893	1.7
89.02446	10.9
95.01388	0.9
99.00865	0.7
101.02441	8.2
113.02448	4.8
119.03504	7.0
129.01942	0.9
131.03523	1.2
143.03549	1.7
152.08458	0.6
153.09233	2.0
161.04533	3.7
161.09770	0.7
179.05635	2.8
187.11304	3.9
205.12383	4.2
209.11937	1.6
223.13417	1.0
227.03534	1.6
233.11880	2.3
255.02945	3.1
256.26691	0.6
277.14517	2.4
283.02533	3.0
284.03348	0.9
285.04123	3.9
385.18546	3.4
391.70358	0.6
445.21057	1.6
447.09903	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30529	0.7
55.46890	0.8
58.00586	1.1
59.01379	100.0
60.01711	1.3
61.98829	9.0
69.48619	5.6
71.01379	21.1
72.99303	2.2
73.02940	1.5
78.95888	1.4
80.38832	0.7
83.01367	1.0
85.02940	3.1
87.00852	1.4
88.98795	1.3
89.02445	29.4
95.01373	2.5
96.96023	1.4
96.96964	1.5
98.20551	1.6
101.02447	17.6
108.02156	1.5
109.02980	0.8
113.02452	7.4
119.02657	1.1
119.03508	15.5
123.04483	1.2
125.06097	0.8
131.03445	1.9
143.03503	2.4
149.09647	1.5
151.07703	1.2
153.09206	1.1
153.82632	0.9
161.04616	4.2
161.05707	0.8
167.10759	1.0
174.78348	0.8
175.02502	0.8
179.05586	13.0
179.10744	1.1
181.12480	0.9
205.12224	0.9
209.11781	1.0
223.09729	1.6
223.13371	6.1
235.13393	1.2
237.14938	1.0
239.07780	0.9
247.13301	1.2
265.14392	3.7
332.79581	0.8
345.84537	0.8
385.18860	1.1
415.23257	0.9
445.05579	2.0
445.13309	0.9
445.20538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3319
Annotation	Di-n-decyl phthalate
Peak:m/z	Relative Intensity
55.01890	0.4
59.01377	1.3
59.60546	0.4
61.98833	6.7
69.50224	2.7
73.59377	0.3
90.68379	0.4
105.07109	8.3
106.07468	0.4
107.05035	0.5
134.03731	1.9
135.04527	100.0
136.04843	4.0
137.02451	0.8
137.06079	0.7
143.99117	0.8
167.03465	0.5
217.33247	0.4
235.62469	0.4
341.75931	0.4
364.20917	0.9
401.34244	10.5
402.34711	2.0
403.32257	0.7
445.33072	3.7
446.33237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23222	0.3
55.05278	0.3
59.01379	9.7
61.98835	2.1
69.22259	3.1
83.01398	0.6
89.02467	0.9
93.03430	0.5
101.02450	0.5
103.37750	0.3
107.01376	1.0
125.02390	0.3
132.02101	0.4
135.00882	0.4
151.00348	2.3
153.01863	0.4
155.86551	0.3
159.04504	0.4
161.04546	0.7
163.00371	0.9
164.01096	0.4
165.01920	0.3
169.01433	0.4
171.04637	0.4
173.06075	0.3
178.99834	0.4
183.04579	1.7
185.02444	0.4
185.05934	0.5
187.03986	0.6
200.04747	0.3
211.03993	2.2
213.05487	0.3
213.34586	0.3
227.03490	67.6
228.03854	6.1
229.04988	1.7
239.03415	0.8
241.04984	0.5
243.03021	0.7
255.02974	85.7
256.03540	12.6
257.04446	1.7
269.04385	0.4
284.03247	71.2
285.03943	25.1
286.04401	1.8
327.05197	2.3
357.06055	0.4
387.20413	0.9
447.09296	100.0
448.09610	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	447.0931
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.17354	0.5
64.77985	0.5
67.31718	0.5
69.71917	2.9
75.59235	0.6
96.38113	0.5
98.20522	1.0
107.01389	1.2
109.02966	0.5
125.02529	0.6
151.00359	2.3
174.03224	0.5
178.99901	0.9
183.04483	1.8
185.02548	0.6
185.39636	0.5
186.09212	0.5
211.04008	1.9
227.03503	69.5
228.03874	6.6
229.05064	2.1
239.03493	0.6
255.02988	82.5
256.03540	12.8
257.04468	1.9
269.04407	0.5
284.03262	64.0
285.03986	27.1
286.04410	1.3
327.05081	1.8
447.09317	100.0
448.09637	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	447.0932
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
54.66610	0.6
55.01854	0.6
57.03460	0.7
58.00608	0.7
59.01380	17.7
60.48402	0.6
61.98829	7.9
69.62856	4.5
71.01382	17.3
72.01690	0.9
72.99298	2.0
73.02943	1.9
78.95904	12.9
83.01385	1.9
85.02944	2.3
87.00879	26.4
89.02448	2.3
93.03455	1.9
96.95447	0.6
96.96021	3.3
96.96969	20.7
99.00896	1.0
101.02444	2.9
103.03981	0.8
109.02935	1.1
113.02444	2.2
115.00375	48.7
116.00744	0.7
119.03515	1.0
121.02969	1.2
123.04497	1.0
125.02443	1.9
127.00351	1.1
133.02979	1.3
135.04567	1.5
137.02403	1.0
140.07243	0.8
145.02824	0.6
149.02461	1.9
149.53105	0.7
151.00449	1.0
151.04059	1.6
163.00380	1.4
163.04016	1.5
164.01125	1.4
165.01868	0.7
167.03497	3.2
169.06544	0.8
175.02472	100.0
176.02763	3.3
177.01907	8.6
178.02678	2.5
179.03464	1.5
189.01942	2.0
190.02631	1.5
193.01407	0.8
195.03024	1.6
211.07436	0.8
227.03418	1.4
255.02896	2.4
255.06555	3.1
256.03372	0.8
267.06586	2.8
269.04529	0.8
271.06107	0.9
283.06122	9.1
284.03214	1.6
285.04031	1.5
285.07605	0.8
301.07184	11.1
311.05609	3.0
329.06625	8.3
330.06998	1.0
393.34085	0.7
447.08444	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.2
61.98830	45.7
69.67741	0.4
69.92745	0.7
69.93153	1.6
71.01379	4.7
73.02939	1.2
77.03982	0.5
83.01395	1.1
85.02947	1.4
89.02456	3.5
90.03219	0.5
93.03457	4.7
95.01379	1.4
97.02926	0.7
97.15746	0.4
99.00919	0.5
100.08846	0.4
101.02465	2.5
103.04063	0.4
104.03514	0.5
104.40282	0.4
105.03471	1.2
107.01353	0.4
107.05048	0.6
108.02141	0.6
109.02941	0.7
111.00970	0.6
113.02464	2.4
119.03500	1.5
120.24931	0.5
121.02929	2.9
123.04550	2.9
125.02438	1.5
133.02942	2.9
134.70911	0.4
135.00850	0.7
135.04549	0.7
136.01683	1.8
137.02451	2.3
142.56097	0.4
143.03407	0.6
145.02907	0.6
147.00827	0.6
149.02444	3.1
150.03162	0.8
151.00400	0.4
151.03992	1.6
152.41241	0.4
157.06519	0.5
161.02402	1.3
161.04581	1.1
163.00374	1.9
163.04042	0.5
164.01151	1.1
165.01936	3.1
168.05847	0.8
171.21046	0.5
175.04056	0.8
176.01230	0.5
177.01924	2.3
178.02740	0.9
179.03473	1.3
179.05634	1.2
181.06654	0.6
183.08086	0.6
185.06107	0.4
189.01921	0.6
190.99812	0.7
192.00563	0.5
193.01482	2.7
197.06137	0.7
199.07597	0.9
201.05595	0.7
205.01393	0.8
205.12326	0.9
206.02251	0.7
206.12752	0.7
211.04068	0.5
213.05536	0.5
216.65077	0.5
219.03027	1.6
225.05637	1.4
226.06067	0.6
227.03421	3.0
227.07169	1.0
240.04242	0.6
241.05101	1.7
243.06618	1.2
253.05057	1.9
255.03076	2.7
255.06329	0.5
256.03726	1.2
257.04388	0.9
269.04581	1.3
271.06046	1.0
281.04575	0.9
282.05270	1.0
284.03183	2.3
285.04089	3.4
297.03983	2.0
298.04742	1.6
299.05603	62.7
300.05939	6.4
309.04086	2.8
311.05560	1.1
324.08197	0.5
325.03525	1.4
327.05084	100.0
328.05441	10.6
330.03741	1.7
331.17606	0.6
339.05063	3.2
357.06171	7.3
387.20041	1.2
447.09305	80.6
448.09631	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04930	0.3
55.71252	0.4
59.01381	10.4
61.98831	5.6
65.00333	0.9
69.22433	3.8
71.01370	0.8
71.22500	0.3
77.03966	1.4
79.01890	1.0
83.01405	0.5
93.03467	0.4
94.75297	0.3
97.03000	0.7
101.02401	0.5
105.03496	0.6
107.01374	0.7
107.04984	0.5
108.02184	0.4
108.33019	0.3
109.02936	2.9
113.02464	0.6
119.01344	0.4
119.05048	1.1
121.02957	2.2
123.00845	0.4
125.02446	1.0
131.01439	0.4
133.02960	16.3
134.03743	0.5
135.04562	1.9
137.02423	0.8
145.02933	0.8
147.04526	1.4
148.01678	0.4
149.02448	1.4
151.00377	0.6
151.03989	0.6
153.01936	0.9
161.02452	2.3
163.00388	3.2
163.04036	3.4
165.01913	2.4
168.04308	0.4
173.02432	0.8
175.00526	0.4
175.03989	3.6
177.01961	1.1
179.03481	0.4
183.06618	0.7
187.04001	0.5
191.03499	1.8
193.01402	1.6
197.06010	0.6
199.04012	1.7
200.49806	0.4
201.01933	2.1
203.03392	0.5
206.13048	0.4
211.03928	1.0
211.07626	0.5
212.04759	0.5
213.05530	1.3
214.02664	0.4
217.05069	0.6
224.04797	0.4
225.05563	1.6
226.02742	0.4
227.03479	0.9
227.07127	0.7
229.05052	0.8
240.04468	0.8
241.05103	0.8
242.25125	0.4
243.03026	0.5
251.03409	0.6
253.05008	1.9
255.02977	1.3
255.06628	1.4
259.06015	0.4
267.02975	0.3
269.04532	2.1
270.05127	0.4
271.05988	0.4
281.04565	0.8
284.03262	10.4
285.03986	8.6
297.04037	17.5
298.04761	10.9
299.05594	21.1
300.05957	1.4
309.03973	1.0
311.05566	3.0
324.02692	0.8
325.03473	1.1
327.05081	100.0
328.05438	11.2
339.05099	3.6
340.05795	0.5
341.06543	1.4
357.06146	31.6
358.06522	3.6
369.06119	3.7
393.06168	1.3
399.07019	0.6
429.08255	0.4
447.09290	25.1
448.09610	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	1.5
59.01381	21.8
61.98798	1.5
69.59194	2.9
69.59597	3.6
71.01359	1.9
79.63026	1.0
89.02460	2.6
107.01447	1.2
109.02943	2.2
121.02936	2.4
125.02473	1.7
133.02948	17.0
133.21289	1.1
135.04515	2.1
148.67377	1.3
149.02408	1.9
151.00342	1.1
158.17938	1.0
161.02414	2.0
163.00352	3.7
163.03996	2.5
165.01962	2.5
175.04004	3.7
177.01904	1.2
179.05612	1.2
183.06781	1.1
188.04865	1.2
199.04019	2.3
201.01816	2.1
201.60387	1.0
213.05603	1.2
225.05463	1.4
240.04327	1.8
241.04944	1.5
253.05219	2.0
255.03017	1.4
269.04385	1.5
281.04337	1.4
284.03110	7.1
285.04077	14.3
297.04050	22.1
298.04773	16.1
299.05566	28.1
300.05969	3.0
311.05670	5.9
315.11166	1.1
325.03354	1.6
327.05060	100.0
328.05441	8.8
339.05029	11.0
357.06131	56.5
358.06619	5.5
369.06158	2.1
387.07288	1.4
429.08310	6.4
430.08115	1.4
441.62048	1.1
447.09308	53.6
448.09637	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	447.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24363	0.8
59.01381	13.9
61.98829	9.6
69.03453	3.3
69.68201	4.8
69.97176	0.7
71.01383	9.6
73.02933	2.0
75.32016	0.6
75.46374	0.6
78.95854	0.6
81.03455	1.7
83.01393	1.0
85.02939	2.4
87.00881	5.5
89.02449	7.8
95.01379	2.5
96.96980	1.0
97.02968	2.0
99.04501	1.2
101.02438	2.5
107.01383	1.7
108.02171	1.1
109.03008	0.9
113.02444	3.9
115.00357	3.4
119.03473	0.9
121.02964	1.4
123.00894	7.7
123.04517	2.1
124.01669	15.5
125.02452	55.6
126.02790	2.2
133.05072	15.5
135.04547	1.4
136.01665	1.3
137.02454	6.7
139.04054	0.9
149.02415	2.3
149.99586	31.2
151.00333	3.4
151.03995	1.7
161.04582	2.3
163.04044	0.9
167.03490	2.0
168.00642	59.8
169.01425	7.8
175.02472	10.2
177.01933	1.9
179.03505	2.8
227.03601	0.9
236.58827	0.7
237.14948	1.2
255.02968	1.3
269.04443	1.1
284.03165	1.3
301.07169	1.6
313.05661	12.5
331.06677	1.1
429.10010	1.8
447.11417	100.0
447.21906	2.7
448.11755	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	447.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14066	0.4
53.58950	0.3
55.25658	0.4
59.01381	1.0
62.96405	1.2
69.87074	0.3
70.43138	1.0
78.95905	39.8
87.88887	0.4
96.96967	1.9
137.30692	0.4
149.00095	19.2
150.00362	0.5
158.92525	1.7
179.01120	2.2
185.64050	0.4
205.15999	1.5
255.02882	1.1
284.03287	0.7
322.01193	0.4
347.08228	0.5
350.28638	0.4
355.57983	0.4
417.12292	0.9
431.10364	2.9
432.10779	0.5
447.13416	100.0
448.13770	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	447.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	95.1
61.98829	9.9
63.18795	1.4
64.83463	1.4
71.01375	12.7
73.02934	4.1
77.34935	1.6
83.01409	2.3
85.02945	4.3
87.00874	6.2
88.98812	1.6
89.02448	14.3
91.68093	1.4
93.03514	1.5
95.01389	2.2
96.96018	1.6
101.02446	6.1
108.02167	7.0
109.02946	2.9
113.02427	5.0
114.79099	1.5
115.00358	4.9
119.03471	1.8
123.00906	2.1
124.01649	1.5
125.02448	4.4
128.03467	1.7
134.03746	1.7
135.04475	1.5
137.02411	4.7
139.00311	1.9
139.04022	2.1
149.02432	6.5
149.99614	2.7
161.04567	5.3
164.03531	1.8
165.01932	19.8
168.00655	2.7
175.02451	12.8
177.01891	3.3
179.05489	1.6
180.04283	30.3
180.05795	2.6
181.04694	3.0
192.04251	1.5
195.02957	9.5
195.06625	38.8
196.06978	2.5
207.06651	3.8
210.05295	22.4
225.07681	100.0
226.08020	7.2
227.03461	2.8
255.03123	2.6
267.06607	3.5
271.08441	2.7
284.03284	5.4
285.04123	2.7
327.04999	2.0
447.11676	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	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.18938	1.9
61.98828	6.9
63.31161	1.9
64.53190	1.7
69.20325	3.5
69.20659	20.4
71.01378	11.4
72.48633	1.7
73.02967	2.2
75.46090	2.0
85.02936	4.0
87.00871	6.6
87.20290	2.0
89.02439	21.2
101.02431	6.3
108.02172	8.9
109.02981	3.2
113.02454	5.5
115.00352	8.8
119.03535	3.0
123.00880	2.1
125.02438	3.8
137.02393	5.5
149.02507	3.8
151.04001	2.3
156.37994	1.9
161.04550	6.7
165.01935	19.4
165.05620	2.3
170.03102	1.9
175.02489	19.1
177.01930	5.3
180.04280	37.2
192.04294	3.1
195.02985	11.4
195.06631	41.1
207.06564	5.0
210.05325	24.0
225.07658	94.9
226.08006	6.5
245.44577	2.1
255.02861	2.9
256.53320	1.8
271.08255	5.8
283.06036	2.1
284.03159	3.5
285.03745	2.5
301.07339	2.3
447.10275	6.2
472.04535	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	447.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.5
57.03435	8.4
59.01377	72.3
61.98823	4.5
66.09502	1.8
69.90691	9.6
71.01381	95.8
72.99296	4.8
73.02940	16.8
74.02423	1.9
83.01379	15.2
85.02448	2.9
85.02955	56.0
87.00872	10.5
89.02447	58.6
95.01380	9.7
95.05023	4.5
97.02940	5.4
99.00872	35.4
101.01785	4.1
101.02440	74.5
102.02715	2.3
105.01992	2.3
105.03421	2.4
109.02985	3.1
113.02451	70.4
119.03497	28.0
123.00820	2.6
123.04527	100.0
124.01702	2.2
124.04826	3.7
125.02453	5.0
131.03503	3.3
137.02419	4.4
138.03233	3.4
139.03966	2.3
143.03497	22.3
149.02437	2.2
159.02969	2.7
161.04543	70.0
162.04718	2.2
179.05595	17.5
203.05638	2.2
221.06621	7.3
223.68527	1.7
229.53757	2.0
256.87570	2.1
323.09811	99.9
324.10098	6.8
412.89310	2.3
447.15289	2.4
448.14395	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10952	0.3
51.82452	0.4
59.01380	15.8
60.01725	0.4
61.98834	2.7
64.12820	0.3
67.81026	0.4
69.03464	0.4
71.01383	4.5
73.02931	1.1
75.00440	0.4
75.00844	0.5
80.48596	0.3
85.02959	1.8
86.56063	0.3
89.02457	3.0
99.00888	0.4
101.02444	4.5
106.65540	0.4
113.02484	1.9
119.03470	1.0
143.03458	0.4
151.00299	0.6
161.04539	2.0
167.14372	0.8
179.05707	0.6
183.13895	6.6
183.83797	0.3
184.98247	0.3
193.12340	1.5
211.13387	100.0
212.13728	6.6
221.19138	0.4
227.03508	4.9
227.07036	1.9
230.34366	0.3
235.08342	0.5
243.10226	7.0
244.10487	0.5
253.06641	0.8
253.09279	13.3
254.09633	0.7
255.02983	5.3
255.05405	0.6
256.03601	0.9
270.05377	0.5
284.03268	4.6
285.04001	1.9
286.04318	0.4
299.05576	0.5
326.48114	0.4
327.05087	1.3
384.96091	0.4
402.57114	0.4
447.09109	6.6
447.14517	0.5
447.22299	1.0
448.09698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	12.4
61.98822	2.8
69.49286	2.2
71.27390	0.3
89.02445	0.5
93.03465	0.6
101.02460	0.5
107.01378	1.2
113.15092	0.3
119.03484	0.3
125.02441	1.0
127.78123	0.4
132.02197	0.4
135.00876	0.3
145.02933	0.4
151.00377	2.8
161.04613	0.4
163.00378	0.7
165.02048	0.3
169.01434	0.4
169.06570	0.3
171.04539	0.4
175.04008	0.4
178.99924	0.6
182.03745	0.3
183.04430	1.7
185.06148	0.6
187.03996	0.4
200.04871	0.4
211.03944	2.0
213.05659	0.4
218.95532	0.3
227.03491	73.3
228.03862	5.8
229.05037	1.3
239.03490	0.7
241.05109	0.4
243.02975	0.5
255.02980	93.3
256.03580	13.4
257.04483	1.6
267.02994	0.3
269.04587	0.5
284.03256	75.9
285.03934	24.1
286.04321	1.7
299.05692	0.5
327.05048	1.7
357.06171	0.4
386.76700	0.3
387.20352	1.0
447.09305	100.0
448.09628	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	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01704	0.8
61.98835	1.3
70.84782	1.2
71.01386	5.5
73.02959	0.7
85.02972	1.8
87.00918	0.5
89.02455	3.9
89.52220	0.4
95.70274	0.4
99.00880	0.5
101.02463	3.2
113.02457	3.4
119.03524	2.2
159.03011	0.6
161.04561	4.0
178.34450	0.5
179.05630	0.8
226.02922	0.8
227.03491	1.5
255.02928	2.1
269.04672	1.3
284.03369	2.3
284.06744	0.6
285.04129	2.0
327.05325	1.8
357.06305	0.8
387.20236	8.3
388.20782	0.6
447.09167	3.6
447.22052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31954	0.8
58.00587	1.2
59.01380	100.0
60.01719	1.0
61.98835	8.5
67.05769	0.8
69.30321	2.2
69.30729	5.7
71.01376	17.8
72.99324	1.5
73.02941	3.1
77.03939	1.3
79.01873	1.4
82.25661	0.8
83.01373	1.2
85.02952	4.2
89.02450	23.2
95.01355	1.9
97.02959	0.9
101.02441	11.7
107.01381	1.1
109.02942	3.1
113.02448	9.7
119.03487	9.3
119.04878	0.9
121.02962	2.1
125.02446	1.2
129.48817	0.9
133.02045	1.1
133.02966	13.5
134.03691	1.4
135.04497	1.8
143.03461	1.9
149.02505	1.9
149.04506	0.9
151.00551	1.0
153.01904	1.5
159.02939	1.3
161.02454	2.1
161.04544	5.3
163.00365	3.1
163.03951	2.6
165.01938	2.2
168.04294	1.2
175.03984	3.0
177.02049	0.9
179.05548	9.4
183.06581	1.5
193.01477	1.0
199.04057	2.2
201.01964	1.2
207.13831	1.0
211.09615	1.4
213.05554	1.4
225.05498	1.6
227.03491	1.4
227.07048	1.0
241.05066	1.9
255.02921	1.2
268.42111	0.8
269.04510	1.9
278.02646	0.8
284.03287	6.2
285.04010	13.2
286.04346	0.9
297.04062	19.6
297.07288	0.7
298.04791	13.5
299.02063	1.3
299.05576	25.8
300.05997	2.1
311.05606	6.4
324.02841	1.0
325.03577	1.2
327.05081	71.8
328.05472	6.8
330.03659	1.1
339.05099	7.1
341.06427	1.4
353.15164	0.8
357.06140	33.6
358.06461	3.9
369.06067	1.8
387.20139	7.5
388.20331	1.1
429.08328	5.1
436.06161	0.9
447.09274	34.7
448.09833	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01723	1.0
61.98829	33.4
65.63258	0.5
67.79041	0.6
69.48348	1.1
69.48756	2.5
71.01379	7.4
73.02942	1.6
85.02952	2.0
89.02441	4.3
95.81041	0.5
101.02438	5.6
109.22881	0.6
113.02440	4.0
119.03526	1.8
123.08167	0.8
138.01978	1.4
139.02266	0.7
144.98691	0.6
158.49799	0.6
159.03003	0.6
161.04547	5.1
163.11259	0.6
179.05614	1.5
189.12828	1.9
207.13905	3.9
225.15030	1.0
230.97197	0.5
387.20325	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	447.2387
Annotation	Ugaferin
Peak:m/z	Relative Intensity
52.14545	0.5
57.03441	0.8
59.01373	5.1
61.98835	4.2
64.93076	0.6
69.82556	2.7
71.01382	0.7
78.95890	1.1
83.01385	0.9
93.03426	0.7
117.03470	19.8
119.05023	49.0
120.05373	2.0
133.02966	2.9
134.03777	0.8
135.04543	4.8
145.02950	100.0
146.03320	5.2
152.99564	1.5
161.02446	16.4
163.04007	37.0
164.04391	1.9
179.03468	1.3
214.57335	0.6
221.19099	8.4
227.03497	3.6
255.03008	5.8
265.18060	5.8
283.19122	9.0
284.03314	3.0
284.19461	1.4
285.03976	1.5
285.20709	1.6
291.19647	1.0
300.02774	1.2
301.03275	0.9
301.20206	20.7
302.20670	1.9
327.05051	0.9
429.22583	1.4
447.09409	5.0
447.23871	55.0
448.09561	0.9
448.24283	8.6
450.11343	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.2
61.98831	100.0
64.16609	0.6
69.65082	3.8
71.01376	4.8
72.99294	0.7
73.02945	1.1
85.02976	1.2
85.08449	0.6
89.02437	3.6
98.20590	1.2
101.02456	2.4
113.02460	1.2
119.03506	1.2
125.02431	1.1
143.03566	0.8
161.04544	1.0
179.05637	1.2
205.05016	1.3
248.60564	0.6
389.22061	2.5
406.52145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.3
59.71805	1.6
61.98832	100.0
69.31204	14.4
78.95906	4.6
80.98401	1.7
90.84927	1.7
96.63769	1.8
119.05089	2.0
128.48700	2.0
137.35394	1.8
152.99622	3.4
179.07153	2.5
256.03256	4.2
286.04468	2.2
291.19644	4.2
448.09131	3.8
448.31836	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.3
60.01726	1.5
61.98832	100.0
63.02389	0.4
65.00327	0.7
69.34103	0.4
69.34413	3.4
71.01390	3.7
73.02959	0.8
83.01381	0.9
85.02970	1.2
89.02456	2.9
93.03470	0.9
97.02952	0.5
98.00784	0.4
98.20609	0.8
99.00883	0.7
101.02439	1.9
102.84959	0.4
104.03527	1.3
107.01373	1.0
113.02460	1.4
119.03506	1.4
119.05043	0.5
121.02988	0.8
123.04471	0.6
125.02444	1.2
133.02940	1.1
133.86386	0.4
135.04526	0.9
137.02383	0.4
149.02512	0.6
150.02829	0.4
151.00365	2.9
152.01181	2.1
161.04610	1.1
165.01950	0.5
178.99863	2.3
179.05623	0.6
193.01321	0.6
216.14136	0.4
228.03853	0.5
254.05263	0.4
256.03439	0.4
259.06155	0.5
261.13425	0.5
269.04477	5.9
286.04572	0.6
289.62985	0.4
299.05563	3.7
300.05939	9.0
301.06192	0.8
327.05115	3.9
328.05429	17.4
329.05725	1.7
358.06516	1.7
389.21741	1.9
407.19135	1.5
448.09634	16.0
448.22650	0.8
449.10446	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	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.7
59.20621	0.6
61.98831	100.0
62.85143	0.6
63.94883	0.6
64.26332	0.6
64.58633	0.6
69.56176	1.5
69.56590	2.5
75.99540	0.6
98.19975	0.9
106.81089	0.6
110.15514	0.7
125.02458	2.1
144.43538	0.6
167.03496	1.6
204.79279	0.6
259.06183	1.1
269.04489	1.2
311.69641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08071	0.5
53.00102	0.5
59.01381	27.2
60.01702	0.5
60.88251	0.4
61.98831	100.0
65.00340	0.5
69.74125	2.4
71.01385	6.2
72.99319	1.4
73.02943	0.8
83.01392	0.7
85.02970	1.5
87.00888	2.4
89.02436	3.6
93.03465	1.9
96.96955	0.6
99.00864	0.7
101.02435	3.0
107.18977	0.6
109.02975	3.7
113.02460	1.7
115.00385	3.6
116.00703	1.1
119.03525	1.6
125.02452	2.0
135.00896	1.3
135.04520	0.7
137.02440	0.5
143.03569	0.9
143.05069	0.6
145.02960	0.6
149.02440	0.7
161.04573	1.6
165.01923	0.8
167.03517	0.5
169.06554	0.6
175.02483	7.0
176.02844	3.4
179.03575	0.5
179.05579	0.8
185.06085	1.1
213.05655	1.2
227.03415	1.1
229.05034	2.4
256.03760	0.9
257.04544	33.0
259.06140	1.4
287.05664	3.1
302.07724	0.8
319.88098	0.5
329.06671	0.9
330.07089	0.9
408.40387	0.7
419.09735	1.0
447.73621	0.6
448.09793	0.8
449.10916	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	448.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50328	1.1
59.01378	3.0
61.98832	100.0
67.81495	0.9
68.04575	1.0
69.84659	2.9
69.85052	2.0
71.24976	1.1
86.85189	1.1
89.02510	1.3
126.90474	7.0
140.92410	1.1
200.59477	1.2
212.58093	1.2
388.48193	1.2
448.95795	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.65180	1.0
65.34696	1.1
70.68879	1.0
78.95885	5.3
81.48623	0.9
90.81591	1.0
91.67751	1.0
98.19839	2.0
110.98529	5.9
167.01163	4.4
168.38882	1.2
185.02200	2.1
208.11871	1.0
214.18063	1.0
255.23357	1.2
280.23682	3.3
281.24847	63.7
449.26706	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.5
59.01104	0.7
59.01384	9.7
61.98833	21.8
65.00337	0.6
69.03465	0.5
69.49355	1.3
69.49767	2.1
71.01383	3.4
71.05038	1.1
73.02940	0.7
78.63167	0.4
81.03455	12.2
82.03826	0.5
83.01382	3.3
85.02962	1.1
89.02435	1.9
93.03432	2.3
95.01399	0.8
95.05035	6.9
97.02967	3.5
99.04517	11.1
101.02471	2.2
105.03466	0.7
107.01378	0.7
109.02978	0.7
111.04504	1.7
112.71011	0.5
113.02433	1.2
117.03465	10.5
118.03808	0.6
119.03508	1.1
121.02939	0.8
123.04514	5.1
125.02449	33.0
126.02763	1.0
135.04555	1.1
137.02451	4.2
139.03998	3.7
140.73430	0.5
149.02402	1.6
151.00369	1.0
151.04018	1.1
161.02486	2.1
165.02026	0.9
167.03496	100.0
168.03839	4.1
179.02072	0.6
179.03479	2.9
186.62943	0.5
193.01445	2.2
197.04556	23.0
198.04906	0.9
207.02945	0.6
209.04570	1.6
227.03479	1.3
235.02470	6.0
239.05655	0.6
255.02986	2.0
259.06146	2.0
265.03476	1.3
269.04523	1.6
269.06961	0.9
284.03265	3.9
287.07925	5.7
296.07266	0.7
329.06674	16.4
330.07086	1.6
341.06509	0.8
359.07819	2.4
369.09979	4.0
432.93283	0.5
449.10962	2.7
450.12753	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	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48914	0.5
53.12276	0.4
57.03442	2.7
59.01377	8.9
61.98531	0.8
61.98832	12.4
63.11671	0.4
65.00334	0.4
66.58032	0.4
68.99790	0.7
69.49251	0.9
69.49664	2.1
71.01399	2.7
71.05004	1.2
73.02923	0.6
78.63023	0.5
81.03458	13.6
82.03802	0.5
83.01388	2.5
85.02962	1.1
86.45818	0.5
89.02453	2.1
93.03458	1.8
95.01387	0.9
95.05035	6.3
97.02948	4.0
98.20642	0.9
99.04517	11.4
101.02460	2.2
107.01404	0.4
108.06547	0.4
109.02953	0.7
111.04565	1.0
113.02459	1.3
113.90158	0.4
117.03473	11.6
118.03792	0.7
118.51060	0.4
119.03496	0.9
121.02985	0.9
123.04525	6.7
124.01752	0.5
125.02449	32.5
126.02785	1.3
135.04512	1.7
137.02448	5.1
139.04015	3.0
149.02440	1.0
151.00372	1.1
151.04025	1.3
161.02434	2.2
164.01152	0.5
165.01945	1.5
167.03493	100.0
168.03810	4.9
179.03508	1.8
193.01407	2.3
197.04543	21.1
198.05008	0.5
207.02895	0.6
209.04512	1.6
223.02647	0.5
227.03557	1.2
227.05627	0.7
232.29265	0.4
235.02483	4.6
255.03014	1.5
259.06146	0.8
265.03491	0.8
269.04218	0.7
269.06671	1.6
284.03275	1.8
287.07867	5.8
288.08197	0.8
329.06665	15.8
330.06958	1.8
330.10654	0.5
359.07544	2.4
369.10083	1.7
389.21698	0.9
443.34241	0.4
449.10800	1.6
449.24451	0.6
450.12314	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.6
59.01108	1.0
59.01382	14.1
61.98532	0.8
61.98832	13.9
62.74277	0.5
63.02398	9.2
64.99992	1.0
65.00322	10.7
67.43983	0.6
71.01384	5.8
74.55688	0.6
77.79350	0.7
83.01382	8.8
85.02931	0.9
87.00901	0.9
89.02451	4.7
93.03456	1.8
95.01381	0.8
96.79522	0.5
101.02437	3.3
107.01394	17.6
111.00860	1.8
113.02447	1.6
117.03461	4.6
119.03475	1.8
119.05017	1.6
123.00887	1.8
123.04552	0.7
124.01672	4.7
125.02460	9.7
133.02930	0.9
134.03734	2.5
135.04564	5.2
136.04909	0.5
137.02431	0.7
139.00407	1.3
149.02425	1.1
151.00372	62.2
152.01158	36.9
155.05025	0.7
157.06569	0.6
159.04491	0.7
161.04546	0.8
169.01443	4.9
169.06551	1.2
177.05565	1.6
178.99873	33.3
179.05536	0.9
180.00410	2.0
181.06564	0.8
183.04654	0.6
197.06020	1.0
201.05559	1.5
215.07112	0.9
225.05522	3.1
241.05089	1.3
243.06535	1.5
259.06149	5.2
269.04547	100.0
270.04898	9.0
286.04895	3.9
287.05566	3.5
314.17392	0.6
329.06393	1.3
449.10907	56.2
449.23630	1.3
450.11151	7.3
465.37445	0.6
467.30026	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91010	0.2
57.03447	0.5
58.00607	0.4
59.01380	44.5
60.01714	0.3
61.98831	22.5
65.00336	0.5
71.01382	5.7
71.56156	0.4
71.56514	0.3
72.99316	1.7
73.02943	0.8
75.00887	0.3
75.03095	0.2
81.03466	0.6
82.97681	0.3
83.01392	1.4
83.05007	0.3
85.02944	1.6
87.00893	0.6
87.04497	0.5
89.02446	6.7
90.72784	0.3
93.03465	4.2
94.03797	0.3
94.82804	0.3
95.01395	0.6
99.00849	0.4
101.02447	2.8
105.17310	0.3
107.01429	0.9
108.02191	0.4
109.02958	10.2
110.03316	0.4
113.02448	2.0
115.00391	0.4
115.08754	0.3
115.92139	0.3
117.03442	0.4
119.03497	2.5
121.03016	0.3
123.04515	0.3
125.02450	3.7
127.22178	0.4
131.03485	0.5
133.02951	0.4
135.00880	5.6
135.04517	0.6
137.02478	0.7
143.03522	0.6
143.05028	2.3
145.02968	0.7
147.04509	0.3
149.02472	0.8
149.04538	0.3
150.03195	0.4
151.00352	1.4
157.06598	0.6
159.04527	0.8
161.04568	1.5
161.06075	0.9
163.00356	0.5
165.01907	0.3
169.06554	0.7
171.04536	0.4
175.02493	1.1
179.05626	2.0
185.06090	3.1
187.04013	2.0
189.05624	0.6
201.05569	0.5
211.04019	0.9
213.05542	2.6
215.03403	0.5
227.03487	3.5
227.09242	0.6
229.05049	5.4
230.05460	0.5
243.06769	0.4
255.02892	1.6
256.03754	2.4
257.04547	100.0
258.04861	7.5
259.06070	2.1
269.04611	1.0
287.05569	5.8
287.18588	0.8
288.05881	0.6
299.05673	0.9
303.14377	0.4
329.06696	1.0
336.66415	0.3
369.09906	0.4
389.14233	0.4
401.12189	0.4
419.09735	3.3
449.10876	47.9
449.25021	1.6
450.11133	6.6
452.12708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1091
Annotation	Dalbergioidin 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.91010	0.2
57.03447	0.5
58.00607	0.4
59.01380	44.5
60.01714	0.3
61.98831	22.5
65.00336	0.5
71.01382	5.7
71.56156	0.4
71.56514	0.3
72.99316	1.7
73.02943	0.8
75.00887	0.3
75.03095	0.2
81.03466	0.6
82.97681	0.3
83.01392	1.4
83.05007	0.3
85.02944	1.6
87.00893	0.6
87.04497	0.5
89.02446	6.7
90.72784	0.3
93.03465	4.2
94.03797	0.3
94.82804	0.3
95.01395	0.6
99.00849	0.4
101.02447	2.8
105.17310	0.3
107.01429	0.9
108.02191	0.4
109.02958	10.2
110.03316	0.4
113.02448	2.0
115.00391	0.4
115.08754	0.3
115.92139	0.3
117.03442	0.4
119.03497	2.5
121.03016	0.3
123.04515	0.3
125.02450	3.7
127.22178	0.4
131.03485	0.5
133.02951	0.4
135.00880	5.6
135.04517	0.6
137.02478	0.7
143.03522	0.6
143.05028	2.3
145.02968	0.7
147.04509	0.3
149.02472	0.8
149.04538	0.3
150.03195	0.4
151.00352	1.4
157.06598	0.6
159.04527	0.8
161.04568	1.5
161.06075	0.9
163.00356	0.5
165.01907	0.3
169.06554	0.7
171.04536	0.4
175.02493	1.1
179.05626	2.0
185.06090	3.1
187.04013	2.0
189.05624	0.6
201.05569	0.5
211.04019	0.9
213.05542	2.6
215.03403	0.5
227.03487	3.5
227.09242	0.6
229.05049	5.4
230.05460	0.5
243.06769	0.4
255.02892	1.6
256.03754	2.4
257.04547	100.0
258.04861	7.5
259.06070	2.1
269.04611	1.0
287.05569	5.8
287.18588	0.8
288.05881	0.6
299.05673	0.9
303.14377	0.4
329.06696	1.0
336.66415	0.3
369.09906	0.4
389.14233	0.4
401.12189	0.4
419.09735	3.3
449.10876	47.9
449.25021	1.6
450.11133	6.6
452.12708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	Okanin 3'-glucoside
Peak:m/z	Relative Intensity
54.79034	0.7
55.01872	1.6
57.03447	1.5
57.32045	0.7
58.00589	1.1
59.01381	100.0
60.01715	2.0
61.98830	21.4
63.02399	3.1
65.00327	8.1
69.03453	0.9
71.01383	23.1
72.99311	1.8
73.02953	9.9
75.00878	0.7
81.03462	1.7
83.01380	8.0
85.02953	13.1
87.00884	2.3
89.02451	10.9
93.03474	1.1
95.01406	2.5
97.02956	1.4
99.00885	3.3
99.04546	2.4
101.02448	25.1
103.04012	1.1
107.01395	16.2
107.05064	0.8
109.02987	1.8
113.02459	13.0
117.03479	1.7
119.03481	4.1
123.04594	0.8
124.01679	1.7
125.02474	9.2
127.04008	1.0
131.03494	1.1
133.03006	0.8
134.03770	2.5
135.04527	41.1
136.04877	1.9
137.02470	1.1
139.00383	1.1
143.03535	2.9
149.02490	0.8
151.00372	73.4
152.01193	13.3
154.60709	0.7
159.02994	1.8
161.02507	1.2
161.04579	9.3
167.03468	5.2
169.01422	1.5
175.00262	4.2
178.99854	11.9
179.05635	2.2
181.06642	0.8
193.01555	0.9
197.04642	1.5
201.05687	0.8
202.74077	0.7
209.11885	2.4
225.05690	1.2
227.07220	1.4
227.13087	1.2
233.50635	0.7
243.06667	1.3
251.13037	0.8
257.04532	4.5
259.06168	1.5
260.51807	0.6
261.13422	20.1
262.13889	2.0
269.04538	35.4
269.13898	6.9
270.04889	3.3
272.07034	2.0
281.06693	0.8
286.04770	1.1
287.05621	53.2
287.08936	2.8
287.15207	2.3
288.05972	5.3
303.14462	1.5
329.06485	1.0
329.16150	2.1
347.17230	2.4
359.07742	0.8
374.37228	0.8
389.18164	2.0
389.22278	1.6
407.19196	42.4
408.19556	4.5
429.63013	0.9
449.10782	19.2
449.20013	6.9
449.24359	9.5
450.11295	2.7
450.25284	1.2
473.71957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.6
60.33397	0.5
61.98829	1.9
62.96412	22.2
66.13049	0.6
77.14014	0.7
78.95908	56.6
80.97471	32.1
88.05802	0.6
89.58656	0.6
91.85432	0.5
96.95984	0.5
98.20763	1.4
99.00908	0.9
109.22486	0.6
149.00090	14.7
179.01190	1.4
189.96500	0.6
200.84882	0.6
203.30313	0.6
205.15968	8.8
228.99870	0.8
242.98242	4.5
285.12592	2.2
355.09842	0.6
355.16785	16.3
355.35217	0.6
356.17078	2.4
385.17862	19.8
386.18213	1.7
449.14990	100.0
450.15396	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	449.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.4
61.98822	2.5
62.96408	24.5
70.18131	1.8
70.18525	1.7
74.19854	0.8
78.95908	57.0
80.97469	30.2
88.16439	0.8
94.50688	0.8
96.95995	0.8
121.02960	1.1
149.00081	15.4
152.99641	1.2
164.69121	0.9
179.01164	1.4
205.15979	6.8
242.98206	4.6
261.22974	0.9
285.12570	1.3
291.94455	0.8
347.51773	0.9
355.16757	15.5
356.16986	1.5
385.17831	22.0
386.18121	2.5
389.21500	0.9
449.14902	100.0
450.15356	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	449.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54890	0.9
58.66655	1.0
59.01366	4.1
59.24891	0.9
60.36632	1.0
61.98814	2.5
62.96113	1.5
62.96412	24.2
66.19297	0.9
71.56133	1.5
73.98277	1.0
76.87307	1.0
78.95908	63.4
80.97469	37.5
80.97866	0.8
84.86852	1.0
96.95998	2.4
99.00850	2.3
111.21168	1.2
149.00090	17.0
179.01172	1.8
205.15965	6.8
210.64664	1.0
225.19926	1.1
242.98322	6.2
285.12561	2.7
331.19043	1.2
345.20621	1.3
355.16721	16.1
356.17084	1.9
371.18390	2.4
385.17847	23.2
386.18314	3.0
389.19742	2.1
449.14957	100.0
450.15454	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	449.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45869	0.7
54.59408	0.6
59.01381	100.0
60.01727	1.0
61.98827	2.3
70.83447	1.0
70.83796	0.8
71.01406	1.5
89.02470	1.2
101.02456	1.7
113.02488	0.7
119.05051	0.6
123.00949	0.6
125.02471	1.7
127.04029	0.7
137.02438	5.1
138.03230	1.4
151.00475	0.8
152.04825	1.9
153.05577	18.3
154.05862	0.6
157.54008	0.7
159.02921	0.6
161.04526	0.9
165.01945	0.7
196.63818	0.6
197.04529	0.8
212.06879	5.9
227.09235	19.1
228.09688	1.6
243.06587	0.9
269.04648	1.1
449.10764	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	449.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.1
59.01379	100.0
61.98829	39.2
69.32224	6.3
69.32645	8.9
71.01376	15.1
73.02930	6.1
76.20367	1.7
80.08424	1.5
81.03456	6.1
83.01384	3.5
85.02958	3.6
87.00896	4.1
89.02439	8.9
101.02438	11.9
106.31646	1.6
113.02423	8.0
117.03500	2.5
119.03471	4.1
119.05000	1.6
121.02935	1.8
123.04524	17.6
125.02449	30.6
137.02428	6.2
151.00345	2.2
161.04515	5.6
167.03474	6.8
167.29385	1.8
175.02429	1.8
179.03531	2.5
193.01323	2.6
197.04553	28.8
227.12885	4.8
245.08165	15.4
269.14008	3.3
287.07785	4.6
287.15005	4.6
303.05963	1.9
329.05936	3.1
329.15961	9.4
347.17053	12.1
359.07593	8.2
389.17642	7.9
389.22299	3.1
449.10339	5.1
449.19666	2.9
454.03836	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	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
57.03452	1.3
58.00593	2.0
59.01379	100.0
60.01717	0.9
61.98841	0.5
65.00340	0.7
65.02624	0.4
68.15788	0.4
69.03465	0.9
71.01382	28.6
71.19476	1.0
72.99318	2.1
73.02949	15.3
75.00898	0.5
83.01391	4.4
85.02956	8.5
86.00106	0.6
87.00885	5.9
87.04531	2.0
89.02446	31.0
90.72186	0.4
95.01398	1.5
97.02942	1.0
99.00922	1.0
99.04545	0.7
101.02446	26.2
102.02785	0.7
103.04005	4.0
107.01384	0.7
113.02451	12.5
115.04039	2.9
119.03510	12.1
125.02467	2.5
125.18356	0.5
127.04076	0.7
131.03510	5.9
135.04527	3.0
143.03505	7.8
145.02974	1.1
145.05095	1.8
149.04622	1.7
151.00351	5.5
155.03519	0.5
161.04564	4.5
163.06133	9.0
163.07390	0.6
179.05609	6.3
179.65593	0.5
205.07178	9.6
247.08296	3.2
257.03882	0.7
261.13538	2.1
265.09268	0.6
280.45053	0.5
284.03436	0.5
285.04047	0.9
286.03796	1.0
287.05743	3.4
287.08969	0.7
296.06323	1.2
407.19214	34.6
408.19504	3.7
449.10074	2.4
449.20056	4.6
450.12210	0.5
450.20349	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76889	1.5
57.03451	4.7
59.01144	1.5
59.01382	18.1
61.98804	3.9
63.66600	1.4
67.01884	2.6
71.01384	17.1
71.52407	1.5
71.55259	2.8
72.99303	1.9
73.02937	2.2
78.95909	8.8
83.01388	5.5
85.02946	30.4
85.34049	1.5
87.00877	55.9
89.02532	1.6
93.03427	1.6
96.96047	2.1
100.38799	1.5
111.00924	2.5
111.08162	10.0
112.98762	1.8
114.99562	2.7
115.00365	45.5
121.02956	2.4
129.01944	3.4
143.31378	1.8
145.02960	5.2
152.99565	11.5
157.01428	38.7
167.10788	1.8
175.02470	27.2
195.13908	7.0
233.17155	1.4
239.80254	1.6
247.20604	2.4
251.98087	1.6
254.74394	1.9
291.19659	100.0
292.20023	11.3
306.91406	1.6
337.06458	1.6
380.49612	1.5
430.74457	1.5
449.21890	44.7
450.22031	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	449.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19256	0.5
57.03453	1.5
59.01380	100.0
60.01714	1.4
61.98828	7.9
64.66089	0.5
69.81168	2.9
71.01381	13.2
72.99316	1.6
73.02940	1.5
75.00903	0.7
81.03492	0.9
83.01372	2.8
85.02956	3.8
87.00890	1.7
89.02444	15.3
93.03465	0.8
95.01391	0.8
96.96029	2.1
98.20546	0.9
101.02450	10.4
107.01436	1.0
113.02453	6.0
115.00385	0.7
119.03497	6.6
121.02964	1.0
125.02435	8.5
131.03552	0.8
133.03012	1.1
138.16086	0.5
140.07199	0.8
143.03552	1.4
143.24644	0.6
149.02455	1.2
150.03252	1.0
151.00369	3.7
153.01895	1.5
161.04547	3.7
165.01962	1.3
172.05269	1.2
173.06129	1.1
178.99788	2.6
179.05591	4.8
201.05643	0.8
215.07220	1.9
241.05103	0.8
243.06706	1.7
259.06097	20.1
260.06558	1.7
283.06042	4.0
287.05612	9.9
288.06000	0.7
301.07211	1.5
313.07666	0.8
389.21808	18.4
390.22168	1.5
405.09235	0.8
421.11328	2.9
449.11063	1.4
449.16489	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67982	0.7
54.24864	0.6
55.56503	0.5
59.01379	100.0
60.01711	1.1
61.98833	2.6
69.49395	3.8
71.01378	7.0
73.02934	0.6
85.02943	0.9
87.00864	0.7
89.02443	8.4
95.01369	0.9
101.02448	3.2
113.02460	2.5
119.03497	3.4
123.04536	1.3
125.02504	0.8
143.03534	0.8
149.02498	1.1
161.04579	0.8
179.05603	3.2
191.92165	0.5
193.01440	0.6
243.06667	1.6
257.04498	1.1
294.16379	0.6
316.11069	0.5
329.06696	0.9
369.09763	0.8
448.94110	0.6
449.11115	2.1
455.41531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	44.3
70.39036	47.3
70.39375	13.0
88.24297	14.5
144.39764	13.8
147.83391	15.6
148.22086	13.8
281.24829	100.0
332.90094	13.6
335.43964	15.6
354.37491	13.4
449.32373	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	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.3
61.98830	100.0
71.01387	2.2
71.55947	0.6
73.02962	1.0
85.02966	1.4
89.02454	2.3
95.38225	0.4
101.02457	2.0
112.76341	0.4
113.02449	1.0
115.00358	0.5
119.03520	0.9
125.02448	1.1
144.84305	0.5
161.04610	0.8
244.07071	0.8
287.05630	1.0
288.06097	0.8
448.27957	0.5
450.11295	1.2
451.21463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36995	0.4
59.01381	6.5
61.98828	100.0
71.01381	2.8
76.65189	0.4
83.01386	0.6
85.02949	1.0
89.02444	1.4
98.20643	1.7
101.02462	1.2
113.02442	1.0
119.03517	1.1
125.02457	1.0
126.29420	0.5
131.03529	0.4
131.46542	0.4
135.69594	0.4
136.01639	0.5
161.04501	1.0
167.03638	0.5
244.06917	0.5
287.05273	0.5
288.02777	0.5
288.05905	1.0
289.10663	0.5
289.20023	0.5
305.15915	0.5
330.06100	0.5
348.68628	0.4
360.07153	0.5
360.83679	0.4
450.11124	1.1
451.11758	0.7
451.21552	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	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14078	0.5
57.03445	1.1
59.01373	2.3
61.00750	0.4
61.98830	100.0
63.99240	0.5
69.56998	2.4
69.57411	0.7
70.75755	0.4
71.01411	0.7
72.83048	0.4
78.71695	0.3
81.03510	0.5
83.01376	0.8
85.87759	0.4
89.02449	0.6
101.30714	0.4
107.01350	0.4
113.02515	0.6
120.01275	0.5
121.02876	0.6
125.02453	9.3
126.02781	4.7
149.02483	0.8
150.02815	1.0
151.00325	2.7
152.00868	0.7
153.01808	0.8
165.01866	0.6
173.05992	0.5
178.99927	1.5
180.00310	0.5
180.03935	0.5
201.05508	0.5
202.06029	0.4
215.07228	0.4
216.07442	0.6
245.08348	1.1
259.03558	0.7
259.06046	3.9
260.06445	7.0
269.04486	3.1
270.04846	6.6
286.06100	0.4
287.05655	3.0
288.05927	4.8
288.08377	0.4
306.02847	0.4
360.38559	0.4
380.12393	0.4
397.44855	0.4
450.11203	9.1
451.11880	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	16.0
59.01683	0.9
61.98831	100.0
69.20647	0.4
69.42205	2.4
69.42627	1.5
71.01382	3.8
72.08775	0.5
73.02951	1.2
85.02967	1.0
87.00912	0.6
89.02443	4.0
95.01424	0.5
101.02435	3.6
113.02465	1.2
118.56136	0.6
119.03517	1.3
119.05009	0.5
123.04550	0.7
125.02464	0.7
135.04539	0.5
161.04642	1.3
167.03510	1.1
187.13519	0.8
258.72952	0.6
289.20370	0.9
331.17966	1.2
349.18759	2.9
390.22275	0.8
391.19827	2.2
451.26154	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	451.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51913	0.6
55.01852	0.7
56.43179	0.6
59.01382	5.2
59.84419	0.6
60.45095	0.8
61.98822	1.3
68.99809	1.3
69.40111	5.3
71.01377	4.6
72.99287	3.1
73.02901	0.8
75.00873	24.2
75.02583	1.1
76.01168	0.8
83.01389	2.3
85.01019	0.7
85.02939	0.8
87.00865	0.8
87.05840	0.6
89.02432	2.2
98.19881	1.4
99.00892	2.8
99.99714	0.8
101.02450	1.9
103.00365	7.2
106.00224	0.7
107.41525	0.7
108.90203	13.5
108.93752	7.6
109.07608	0.6
110.93427	3.0
111.00920	1.2
112.98813	14.3
113.02448	1.3
114.98410	0.8
115.00344	0.8
115.02033	1.0
117.01957	1.6
119.00555	0.7
119.03460	1.3
124.98853	0.9
125.02426	1.2
126.90337	2.1
127.00374	0.9
129.01927	1.2
137.02434	2.7
138.92853	0.9
143.01527	1.3
145.01437	3.2
150.03156	0.8
151.03961	0.7
153.01897	2.8
157.01372	1.2
165.05530	1.9
168.91457	3.2
171.01071	1.1
180.91454	1.5
185.06065	1.2
192.95857	2.4
195.06635	0.9
226.06441	0.9
227.07072	1.1
228.93454	0.9
230.03407	1.0
231.03163	23.0
232.03384	0.9
234.96919	1.8
236.96558	0.9
263.05801	6.9
271.05936	1.7
303.01733	5.7
315.05350	0.7
335.04172	2.2
359.04297	4.4
361.27615	0.8
403.02945	0.8
415.03024	1.1
419.06525	1.1
433.03842	1.0
451.08984	100.0
452.09238	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	451.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51563	0.4
57.03445	5.4
59.01377	6.6
61.98828	5.5
68.84385	0.3
69.03465	1.4
70.93687	0.9
71.01378	3.0
72.99301	0.5
75.00874	0.5
81.03465	0.7
83.01392	9.0
85.02953	0.9
87.00876	1.2
88.98824	0.4
89.02438	3.1
93.03462	2.0
95.05012	0.6
97.02982	0.6
101.02457	1.9
105.03445	0.6
108.02180	0.5
109.02956	7.2
113.02448	1.3
115.00356	0.7
119.03486	0.5
121.02940	0.9
122.03759	0.8
123.01009	0.5
123.04531	8.7
125.02448	40.5
126.02796	1.4
132.43294	0.4
133.02985	0.5
135.04514	0.7
137.02446	100.0
138.02759	3.9
143.03522	0.6
145.02983	2.8
149.02449	4.5
150.03226	10.0
151.00392	0.8
151.04016	23.2
152.04353	1.1
153.01968	4.5
159.04529	0.9
161.04590	0.5
161.06082	0.9
164.01146	0.9
165.01910	1.9
165.05612	0.7
166.02722	1.8
167.03384	0.5
175.02530	1.0
179.03569	0.5
179.05644	0.6
185.06009	0.9
187.04066	1.0
193.01489	0.4
194.02356	0.4
203.07169	1.4
209.04543	1.3
227.07216	0.9
239.05681	0.7
245.08156	1.4
249.69368	0.4
271.06110	9.5
288.47113	0.4
289.07178	5.3
290.07654	0.4
313.09314	2.7
329.08911	1.7
364.77121	0.4
404.12622	0.5
409.17532	0.5
451.12476	16.7
451.18747	1.0
451.25815	0.6
452.12637	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	451.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01376	7.8
61.98833	6.6
64.50126	0.6
65.00313	2.5
67.80183	0.6
68.99824	1.7
71.01377	2.8
71.47868	0.8
73.02975	0.6
79.89568	0.5
81.03454	0.8
83.01387	10.3
85.02962	1.7
89.02442	2.9
92.46845	0.6
93.03466	0.7
95.82610	0.6
101.02437	2.5
107.01372	3.6
107.05027	0.8
109.02955	3.1
113.02461	1.0
119.03490	1.3
123.04543	0.8
125.02447	4.9
134.03769	2.5
135.04541	7.3
137.02496	3.2
151.00375	15.4
151.04024	1.2
152.00810	0.6
153.01942	100.0
154.01187	0.6
154.02237	3.8
163.04025	0.9
164.01231	2.9
165.01918	1.3
175.02542	0.6
176.09007	0.5
176.10614	0.6
177.01903	0.7
179.03659	0.5
179.05615	0.9
185.72206	0.6
209.04428	0.7
230.64207	0.7
253.05151	3.0
254.05658	0.6
271.06119	5.0
322.00027	0.6
449.65085	0.5
451.12619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.4
59.01379	23.5
61.98827	4.2
71.01398	4.1
71.55379	1.4
81.03442	0.8
83.01388	1.3
85.02953	4.6
87.00882	1.9
91.05532	23.0
93.03438	1.3
97.02940	1.4
111.04464	0.8
113.02450	3.8
115.05534	17.0
116.05878	0.9
117.07103	37.3
118.07431	1.8
125.02443	4.0
133.06599	45.5
134.06923	2.1
135.04514	3.4
143.03508	7.7
155.03482	1.8
161.06081	100.0
162.06450	5.2
163.04005	14.0
185.04530	5.4
187.04002	36.2
188.04361	1.6
205.05081	15.0
223.06120	19.9
224.06355	1.6
340.91986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	36.5
61.98817	39.2
67.67213	5.7
69.03449	10.1
71.01380	13.8
71.05018	39.2
71.56371	10.6
71.79871	5.9
83.01388	10.6
85.02946	11.1
93.03507	7.9
101.02440	21.7
101.13320	5.7
105.03401	6.6
121.02979	33.6
124.01698	6.3
125.02399	9.6
134.03735	5.7
137.02483	14.2
161.02454	73.8
168.00615	16.9
177.09134	7.2
183.08099	6.2
189.01913	11.6
221.08176	100.0
226.06273	11.4
227.07050	25.8
311.07574	6.0
315.26550	5.8
336.95758	5.6
389.12332	23.8
451.08966	24.6
451.20721	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	451.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98527	1.5
61.98830	22.2
65.69729	1.0
68.00554	1.1
71.01379	11.2
72.45574	1.0
73.02930	5.1
83.01374	1.5
85.02935	3.8
89.02452	9.6
99.00813	1.1
101.02437	11.7
102.62016	1.0
113.02458	4.6
119.03502	4.0
143.03476	1.2
149.04524	1.8
161.04515	4.8
167.03452	2.2
179.05589	1.6
187.13403	6.5
223.32390	1.1
260.28360	1.1
305.24594	1.4
313.06903	1.3
331.17612	7.3
349.18735	14.0
350.19098	1.8
391.19720	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	451.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.9
55.61186	0.5
57.03448	2.3
58.00586	1.5
59.01381	100.0
60.01719	1.5
61.98832	1.8
63.47576	0.6
69.38831	4.9
71.01383	29.0
72.99321	1.8
73.02950	15.2
77.98488	0.6
83.01391	6.9
85.02959	18.3
85.03461	1.1
86.00094	1.1
87.00889	2.4
87.04535	0.6
89.02453	5.3
95.01406	1.9
97.02975	2.1
99.00886	5.6
99.04558	0.9
99.08179	0.7
101.02451	33.5
102.02791	0.8
103.04026	2.7
109.02922	0.7
111.00870	0.8
112.01720	0.7
113.02466	12.9
115.04015	0.7
119.03516	1.4
125.02460	2.1
131.03540	1.5
139.00383	0.5
143.03539	2.4
145.02989	0.6
145.05034	0.7
159.03023	2.3
161.04558	8.6
163.06174	1.0
167.91667	0.6
188.21971	0.8
197.11835	0.9
197.66727	0.6
205.07141	0.8
245.13963	1.6
263.14996	45.1
264.15424	3.3
290.34744	0.6
305.16196	1.5
326.47397	0.6
328.10056	0.7
409.20773	69.5
410.21078	6.8
451.21744	6.1
452.21997	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	451.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.9
61.98795	1.0
71.01376	4.0
72.99332	1.5
73.02953	3.1
83.01401	7.3
85.02968	2.7
86.00051	1.0
87.00880	100.0
101.02468	6.7
111.00885	18.4
112.12102	1.0
112.98790	3.1
116.92848	1.3
127.00354	2.0
129.01944	6.1
147.02957	2.2
152.17284	1.2
173.00960	1.4
219.50372	0.9
229.49245	1.5
255.23210	4.2
273.22141	1.5
277.21713	57.2
278.22052	5.9
281.23856	1.1
291.23178	4.4
319.22577	1.1
331.22546	2.7
389.23206	2.1
424.49170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93624	0.9
57.03445	1.6
57.46557	0.9
58.00575	1.1
59.01109	1.1
59.01382	17.2
61.98826	1.2
67.01884	3.0
67.84251	1.0
68.99807	1.2
70.58014	1.0
70.88237	2.8
71.01386	21.0
72.99316	3.8
73.02958	1.3
83.01393	3.9
85.02959	34.7
87.00882	67.2
87.27059	0.9
91.66856	1.0
99.00876	1.2
111.00858	1.9
112.98812	4.0
113.02480	1.9
115.00377	61.4
129.01958	6.5
130.01981	0.9
152.99557	2.0
157.01430	35.6
158.01828	1.5
167.95882	1.0
171.10306	1.7
175.02469	29.6
179.14481	1.0
195.13899	9.8
198.26364	1.0
205.12413	1.2
207.70268	1.0
211.13416	1.0
223.13330	8.0
223.16953	1.0
246.48154	0.9
256.13129	2.7
262.93008	1.1
275.20087	7.3
276.20334	1.1
293.21243	100.0
294.21585	10.5
294.33905	1.0
450.21661	1.2
451.23340	68.1
452.23660	11.9
470.14383	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.3
58.02972	0.4
59.01382	4.0
61.98835	1.3
70.33388	0.1
71.01387	0.6
73.02957	0.2
80.05083	0.2
81.03461	9.3
82.03783	0.2
83.01387	0.2
83.05028	24.4
84.05376	0.6
85.02965	0.3
89.02473	0.3
95.01446	0.1
99.04517	3.1
100.04816	0.2
100.07674	0.2
101.02454	0.9
107.06145	0.7
108.04558	1.0
113.02480	0.1
125.02456	1.5
125.07213	3.0
126.05646	0.4
126.11530	0.1
133.02954	0.3
143.08266	1.3
144.08655	0.2
149.99561	0.2
161.04616	0.2
168.00653	0.3
183.15001	0.1
189.13924	0.2
207.15022	3.0
208.13431	0.3
224.17691	5.0
225.16089	12.1
226.16391	0.7
242.18745	1.5
250.15517	0.3
268.16571	0.3
280.86450	0.1
290.22369	0.3
307.17612	0.6
307.23877	0.2
309.21616	0.6
324.26550	1.8
325.27011	0.1
333.18985	0.3
333.22946	4.1
334.23471	0.3
337.25635	0.1
339.27698	0.3
341.29135	0.1
349.18512	0.3
351.24023	1.1
367.27094	1.6
368.27374	0.2
385.28076	0.3
406.30429	0.1
433.31854	5.6
434.32150	1.0
451.32889	100.0
452.33200	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	452.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.6
61.98830	38.4
69.41882	5.9
69.42298	5.2
71.01363	2.1
85.02915	1.7
93.03448	2.0
103.04014	1.8
125.02469	3.0
137.02397	2.1
138.02748	2.0
149.99596	2.5
168.00594	5.2
169.01097	3.0
181.06514	2.0
182.07085	1.4
183.08159	15.7
185.06013	2.8
194.54750	1.4
198.06816	4.3
225.05397	2.0
226.06355	37.5
227.07123	90.9
228.07492	7.3
235.26874	1.4
251.07097	1.8
269.08081	4.0
314.05789	1.9
389.12384	100.0
390.12714	11.9
452.09286	10.2
475.72308	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42072	0.5
52.45552	0.5
61.98832	100.0
63.15419	0.4
71.18642	0.6
71.18969	0.7
76.07860	0.6
142.93246	0.6
221.16110	0.6
226.12949	0.5
236.38824	0.5
257.75372	0.6
270.39676	0.5
374.02826	0.5
405.25635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19376	0.8
53.03469	0.7
55.10033	0.9
59.01382	7.8
59.91978	0.9
60.01715	0.8
61.01798	0.9
61.98830	100.0
65.64998	1.0
69.60201	5.8
70.92666	0.8
71.01377	2.4
72.99303	1.9
75.00882	2.7
81.03452	0.9
89.02463	2.5
98.20646	1.1
100.04063	1.5
101.02457	2.2
102.71182	0.9
110.02502	1.1
110.27513	0.8
111.02927	0.9
112.45011	0.9
123.04489	0.8
131.97444	0.8
150.03258	1.5
153.01930	3.3
154.02293	1.4
154.43411	0.9
161.04581	1.1
167.38902	1.1
186.15175	0.9
195.06653	1.0
245.08015	1.2
318.28156	1.0
342.10657	0.9
453.15070	1.2
466.38412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
62.96414	0.3
65.89021	0.2
68.72690	0.1
70.69043	0.2
71.56432	0.3
75.45258	0.1
78.95905	27.7
93.28104	0.2
95.33440	0.2
96.96958	0.7
104.97440	0.2
122.00150	1.0
122.98511	0.3
123.88956	0.2
140.01193	5.5
152.99590	2.9
159.37083	0.2
166.02786	0.3
171.00627	1.5
196.03802	10.7
197.04109	0.4
198.26389	0.2
214.04903	1.9
237.22183	0.3
255.23288	100.0
256.23630	9.2
260.98178	0.2
382.58182	0.2
452.27814	27.7
453.28091	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	452.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28528	0.2
56.63100	0.2
59.01393	0.2
61.98839	0.4
64.90008	0.2
69.27691	1.0
69.28122	1.1
78.95905	6.1
98.19862	0.4
140.01199	1.8
152.99597	0.8
171.00630	0.3
196.03816	1.0
214.04849	2.4
255.23289	100.0
256.23636	9.3
452.27817	8.0
453.28268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28972	4.7
54.63996	5.4
55.35391	5.0
59.01382	100.0
61.98831	87.9
62.67950	5.7
71.01385	27.3
71.56586	8.4
73.02947	10.3
74.76557	4.9
83.01405	8.1
85.02974	13.4
87.00867	7.4
89.02442	8.5
101.02465	13.0
105.06806	5.7
111.00887	7.4
113.02428	8.9
118.99929	5.8
139.23340	5.6
203.87589	5.4
245.68694	6.0
303.97943	5.1
340.13968	6.2
453.22607	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	453.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68131	0.3
61.98822	0.4
71.10494	0.5
74.96983	0.3
78.19707	0.3
99.00921	0.5
99.92593	5.7
100.92713	0.5
100.93352	3.1
115.92079	100.0
116.92083	4.9
116.92873	6.0
132.92334	1.2
141.77922	0.3
172.95453	5.1
193.86935	0.3
218.63918	0.3
279.23450	0.8
304.63174	0.3
328.22739	0.3
331.03677	0.3
379.15942	0.7
405.17337	0.8
435.18478	0.6
453.19412	2.8
473.63538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
67.12955	0.5
70.13562	1.1
70.13960	1.3
70.54822	0.6
71.01390	7.8
74.59906	0.5
75.94272	0.6
99.92586	25.1
100.92682	1.0
100.93362	5.4
115.92081	100.0
116.92137	4.3
116.92860	61.1
117.92899	4.0
122.15015	0.6
132.92320	0.7
144.95985	0.9
172.95465	34.6
173.95552	2.6
185.26654	0.6
231.21043	0.6
255.23505	1.1
279.23425	3.1
379.15854	1.4
395.15421	1.1
435.18564	1.1
453.19534	4.7
454.19843	0.8
457.05392	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.2
57.03455	4.8
58.00597	2.9
59.01382	66.4
60.01721	0.9
61.98838	2.6
69.03473	1.1
69.34886	6.2
71.01385	63.1
72.01701	1.2
72.99313	4.1
73.02952	25.1
75.00888	1.5
83.01389	12.9
85.02955	36.7
86.00098	2.0
87.00876	6.3
87.04537	1.3
89.02452	18.6
95.01416	5.1
97.02985	2.0
99.00883	9.2
99.04527	0.8
101.02450	58.1
102.02805	1.6
103.04028	6.8
111.00887	4.1
113.02457	24.0
115.04021	1.5
118.00323	0.8
119.03529	6.2
120.38736	0.7
122.59927	0.8
125.02483	2.4
131.03499	2.0
143.03542	4.9
145.05092	1.4
145.12355	2.9
159.02991	5.7
161.04567	33.0
163.06145	3.0
177.56912	0.8
205.03580	0.8
205.07115	1.7
215.12921	0.8
289.16595	1.1
307.17636	100.0
308.17975	7.9
377.41150	0.7
453.23407	59.0
454.23734	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	453.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19036	1.1
56.67963	1.2
61.98808	1.2
67.67960	1.1
70.62186	2.7
70.62531	1.9
83.01396	2.9
91.18585	1.0
116.92791	1.5
128.49751	1.2
174.01691	100.0
175.02037	3.8
198.75078	1.3
201.80240	1.1
231.34521	1.0
232.13553	1.2
337.31018	1.2
393.30243	1.3
432.50500	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12271	0.3
59.01387	0.7
61.98830	100.0
69.34190	2.4
75.96778	0.3
78.95899	1.0
165.17487	0.3
168.22433	0.4
168.23903	0.4
210.03665	0.4
226.55321	0.3
280.93637	0.3
351.28540	0.4
357.09033	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38352	0.4
59.01377	2.5
61.98832	100.0
63.86649	0.5
66.88889	0.4
71.01396	1.2
83.01401	0.4
85.02953	0.9
89.02475	0.7
98.19905	1.7
101.02507	0.5
104.25571	0.5
113.02512	0.6
119.03519	0.4
159.13055	0.4
161.04572	0.6
222.23970	0.5
229.05057	0.9
229.38231	0.4
254.99249	0.4
454.24106	0.6
478.33035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.9
61.98831	100.0
70.96135	0.8
74.27671	0.4
79.92953	0.4
85.13676	0.3
106.74100	0.4
108.58809	0.4
118.71514	0.4
189.09377	0.4
342.47491	0.4
386.93399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30220	0.6
59.01381	0.9
61.98833	100.0
64.08394	0.5
69.47576	0.6
72.94356	0.7
89.43783	0.5
152.71997	0.6
248.19975	0.6
273.15665	0.6
325.76495	0.6
455.26807	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2652
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01878	0.9
57.03438	1.1
58.00579	1.9
59.01381	37.5
61.41763	0.5
61.98838	3.2
64.06931	0.5
71.01384	23.3
71.12848	0.6
71.13167	0.9
72.99303	2.2
73.02950	1.9
83.01378	1.5
85.02960	6.1
87.00863	1.2
89.02446	20.0
94.19821	0.4
95.01392	2.4
95.05035	0.7
101.02448	13.1
111.08121	1.0
113.02448	7.3
113.09738	0.6
113.26077	0.5
115.05529	1.9
117.07103	0.6
119.03518	7.4
135.68880	0.5
153.37894	0.5
161.06075	1.1
169.74141	0.6
179.05638	0.7
179.14384	0.8
187.03978	2.0
189.99258	0.6
205.15961	0.7
223.13417	1.6
234.07922	0.5
275.20187	6.4
277.21722	0.8
293.21225	23.7
294.21533	2.4
343.45895	0.5
455.26498	100.0
456.26862	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	455.353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90956	0.2
61.51889	0.2
69.37954	0.6
69.38371	1.3
111.84487	0.2
169.29524	0.2
249.46519	0.2
318.96625	0.2
448.07416	0.2
455.35278	100.0
456.35623	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	455.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31306	0.7
68.61201	0.7
69.84532	3.0
72.96865	0.7
76.30257	0.7
89.49316	0.7
105.36835	0.7
206.95764	0.8
384.51050	0.8
455.35297	100.0
456.35635	17.3
456.41537	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	455.353
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
61.98819	0.2
63.59216	0.2
71.19011	0.3
72.55092	0.2
97.06642	0.2
116.65483	0.1
126.80744	0.1
148.06090	0.2
174.50984	0.1
210.02206	0.1
235.16856	0.1
279.78378	0.1
407.33142	1.3
439.32095	0.2
441.33862	0.2
455.35287	100.0
456.35638	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	456.172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07460	0.3
56.09883	0.3
56.29271	0.4
59.01383	1.5
61.98829	100.0
69.12749	0.4
69.64414	1.5
69.64827	0.7
88.52266	0.3
98.20562	0.4
121.28654	0.4
125.02460	0.5
125.22449	0.4
142.48996	0.4
190.02737	0.5
191.03484	2.9
195.06789	0.5
197.16977	0.4
205.05119	0.7
217.05087	1.5
235.06099	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	457.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.6
61.98838	3.1
71.01389	19.7
71.56325	2.0
72.99318	3.6
73.02940	1.4
83.01347	1.6
85.02940	3.7
87.00877	31.6
93.03520	1.9
96.96015	3.0
96.96967	1.6
97.76053	1.3
101.02439	1.9
104.98791	1.2
106.92065	1.4
108.55708	1.2
113.02439	2.6
115.00376	48.6
115.92039	1.7
119.03461	1.4
119.05037	8.5
133.06581	3.7
163.04018	5.6
175.02473	100.0
176.02800	1.2
178.02686	2.0
191.07089	3.4
205.05075	2.7
221.04523	2.0
233.08183	2.5
279.85468	1.2
457.13135	1.5
458.17920	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	457.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04231	2.1
55.01886	5.2
57.03441	9.1
59.01374	23.6
61.98827	13.3
69.59995	15.7
71.01384	23.0
72.99297	4.0
73.02923	4.3
73.92889	2.2
78.95894	4.6
83.01385	3.2
85.02954	14.1
87.00883	4.4
88.04053	5.4
89.02465	11.8
90.42329	2.8
93.03467	11.8
95.01375	2.7
96.96014	8.8
96.96951	9.3
97.02968	3.1
101.02454	12.2
108.02162	9.8
109.02940	5.7
111.00897	4.1
112.88171	2.5
113.02455	20.4
117.03452	10.5
119.03536	6.4
119.05031	58.5
120.05401	3.1
121.02995	3.1
123.00882	3.9
123.04505	9.1
131.03505	9.2
132.06657	4.0
133.06598	100.0
134.06934	4.4
135.04536	4.8
137.02455	8.0
138.03227	10.3
145.02956	46.4
145.06606	2.5
147.04509	10.1
149.06071	2.3
152.01140	3.3
153.01933	3.8
153.05583	8.4
159.04524	6.2
161.04564	3.7
161.06053	13.2
163.04028	43.7
164.04800	2.6
172.05251	6.3
173.06042	8.8
175.03983	8.7
175.07683	2.7
177.05421	4.4
178.06375	5.0
179.07135	5.0
185.06004	6.0
187.07664	3.5
189.05565	3.1
189.09172	5.3
190.22273	2.5
191.07137	6.0
193.05183	3.3
193.08688	4.9
199.07603	7.2
200.04742	3.7
203.03523	26.8
203.07127	17.0
205.05064	16.7
214.06316	5.1
215.07094	34.1
216.07529	4.7
217.04996	4.0
218.05843	26.9
219.06656	4.2
220.07343	3.2
221.04562	18.2
221.08090	5.0
233.08180	62.5
234.08572	5.4
236.06891	29.6
247.06134	7.6
251.09259	74.3
252.09760	2.5
257.19489	3.0
259.06143	15.5
259.21558	2.6
265.07294	3.2
277.07135	12.6
395.13327	15.4
439.12445	13.4
457.13480	7.3
458.13120	4.6
458.22488	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
57.03451	2.2
58.00593	1.2
59.01378	100.0
60.01713	0.8
61.98820	0.8
68.99801	0.4
69.03454	1.4
71.01379	33.5
71.32880	0.9
72.01723	0.6
72.99308	2.1
73.02946	16.5
75.00872	0.6
81.03490	0.7
81.07341	0.4
83.01381	5.5
85.02949	21.7
86.00110	0.9
87.00879	3.5
87.04510	0.8
89.02440	5.6
94.44929	0.4
95.01385	2.7
97.02960	1.8
99.00888	5.5
101.02444	28.6
102.02781	0.8
103.03998	2.3
107.05061	1.2
108.01513	0.5
109.02957	0.5
112.01646	0.5
113.02449	14.7
114.83635	0.6
115.04001	1.6
119.03490	1.2
125.02406	2.3
127.03975	0.6
129.01982	0.9
131.03502	1.3
135.00926	0.6
143.03485	3.9
145.05060	0.6
151.04004	1.1
159.03017	2.7
161.04553	15.3
162.03221	4.9
163.03963	0.7
163.06136	1.5
167.03519	1.1
167.09496	0.4
177.05568	1.3
179.03510	1.1
180.04282	14.5
181.04671	1.2
195.06612	22.5
196.06972	0.7
203.07161	1.0
205.07222	1.4
251.09254	2.3
269.10284	36.2
270.10651	2.1
311.05719	1.1
311.11313	1.4
357.11868	5.7
380.18588	0.5
391.76996	0.5
397.14801	0.5
415.16074	64.8
416.16422	7.3
457.17139	6.6
458.17188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1715
Annotation	Pectinolide F
Peak:m/z	Relative Intensity
55.01873	3.2
57.03455	2.1
59.01381	100.0
69.52293	7.7
69.52634	1.1
71.01382	33.2
72.41509	1.0
72.99324	1.3
73.02952	15.2
76.65417	1.2
83.01361	5.1
84.62566	1.0
85.02952	16.6
87.00879	2.7
88.49022	0.9
89.02457	4.9
95.01381	2.7
97.02972	1.8
99.00881	5.0
101.02451	31.0
103.04005	2.7
113.02455	14.7
115.04015	1.5
118.91016	1.1
119.03522	1.9
119.99021	1.0
125.02428	2.7
131.03448	1.3
143.03526	3.2
156.25188	1.0
159.02945	2.6
161.04543	15.8
163.06125	1.4
205.07246	1.8
232.69528	1.2
233.64709	1.4
245.94963	1.1
251.09238	1.2
269.10306	37.9
269.13074	2.2
270.10547	1.8
311.11533	1.7
415.16080	65.3
416.16388	8.3
457.17267	5.6
458.17282	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23651	0.7
55.01885	2.3
57.03453	2.3
58.00586	1.3
59.01379	100.0
60.01701	1.8
61.98831	4.6
69.03473	0.8
69.86480	3.8
71.01379	34.3
72.99315	1.5
73.02945	13.5
81.03457	1.0
83.01383	6.6
83.05025	0.9
85.02950	21.7
87.00875	6.8
88.98812	1.2
89.02434	4.9
92.54015	0.7
95.01395	2.9
97.02945	1.9
98.19884	1.1
99.00872	6.8
101.02443	27.7
103.04021	2.4
109.02953	2.3
111.00922	0.9
112.01687	1.9
113.02451	17.1
119.03470	0.7
123.04550	1.1
125.02459	4.4
127.04037	2.4
131.03477	1.0
142.22604	0.7
142.24225	0.7
143.03532	5.1
145.05193	1.0
149.06075	10.4
155.03500	0.9
159.03011	2.6
161.04541	19.7
163.06120	1.6
165.05591	1.1
180.04233	1.0
203.07166	2.2
205.07164	1.1
262.39334	0.8
269.10287	34.1
270.10742	2.3
275.44431	0.7
342.23981	0.8
397.15204	1.3
398.15402	0.8
415.16071	63.1
416.16272	7.0
422.30774	0.7
446.57404	0.7
457.17661	0.9
457.26657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Pectinolide F
Peak:m/z	Relative Intensity
50.41763	0.5
55.01878	2.6
57.03451	2.8
58.00599	1.1
59.01381	100.0
60.01698	0.5
61.98835	1.9
63.13860	0.4
68.64652	0.5
69.03470	0.5
69.49537	3.0
71.01385	33.4
72.01752	0.5
72.99319	1.6
73.02947	13.8
75.00874	0.6
81.03446	0.5
83.01395	5.7
85.02954	17.4
85.03458	0.9
86.00118	0.5
86.15356	0.4
87.00871	4.0
89.02441	5.4
93.03463	0.7
95.01415	1.8
97.02936	0.8
97.61949	0.4
99.00884	5.0
99.04531	0.8
99.08172	1.8
101.02444	25.7
102.02817	1.0
103.04017	2.8
107.05032	0.7
112.01701	0.7
113.02447	15.7
115.04025	1.3
119.03520	1.3
123.04530	3.6
125.02432	2.5
127.03991	0.6
127.07658	2.7
129.01920	0.6
129.05598	1.1
131.03474	1.6
141.01996	0.7
143.03477	3.8
145.05080	0.6
153.05606	1.9
159.03027	3.1
161.04572	13.8
161.05940	0.8
163.06163	1.6
171.06744	0.5
175.02515	0.6
203.07230	1.2
205.07222	1.4
251.09332	2.4
269.10309	34.1
270.10641	2.2
293.73672	0.5
311.11511	1.5
352.10056	0.5
415.16092	59.6
416.16364	6.6
449.05997	0.6
457.11136	0.8
457.17007	5.5
468.18625	0.5
476.21741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01658	0.4
55.01870	2.5
57.03436	2.7
58.00595	1.5
59.01380	100.0
60.01723	1.1
61.98830	2.2
63.35086	0.4
63.96865	0.4
71.01382	34.0
71.56234	0.4
72.01746	0.5
72.99309	2.2
73.02946	13.1
75.00883	0.8
81.03461	1.0
83.01389	5.2
85.02953	19.7
86.00112	0.6
86.03214	0.4
87.00871	3.2
87.04522	0.6
89.02441	6.0
95.01388	2.4
97.02957	1.8
99.00867	4.9
99.04517	0.8
99.08173	1.3
100.12946	0.4
101.02448	26.2
102.02763	0.5
103.04021	2.3
104.21487	0.4
107.05069	0.5
111.00857	0.5
112.01668	0.4
113.02451	14.7
114.02799	0.5
115.04031	1.4
119.03503	1.6
123.04510	2.7
125.02431	2.6
127.04024	0.8
127.07649	1.8
129.01987	0.7
129.05589	0.5
130.74229	0.4
131.03525	1.3
141.01952	0.9
143.03491	4.0
153.05565	0.9
159.02980	3.0
161.04562	13.6
161.05875	0.5
163.06116	2.1
164.69943	0.4
171.06656	0.8
175.02525	0.6
187.03955	0.4
191.09195	0.4
203.07118	1.1
205.03571	0.5
205.05420	0.4
205.07199	1.3
244.84518	0.5
251.09108	1.9
269.10297	32.7
270.10568	2.4
311.11325	1.3
403.47961	0.5
415.16089	55.9
416.16473	6.8
457.17053	5.1
458.17599	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01379	100.0
60.01708	0.8
61.98827	5.9
62.00772	0.6
69.53342	4.3
69.53751	1.3
71.01377	13.6
71.34307	0.6
73.02951	7.4
74.69851	0.6
74.96973	0.6
77.72696	0.6
79.61126	0.5
83.01401	2.5
85.02924	4.7
87.00911	0.9
89.02455	4.1
92.09344	0.8
95.01369	1.5
98.19875	0.8
99.00890	1.4
99.04560	0.7
101.02444	11.4
113.02438	5.8
115.00340	0.7
119.03528	2.3
119.05073	0.6
122.33882	0.7
131.03510	0.6
135.81323	0.6
143.03500	1.2
149.04529	0.7
149.09752	1.3
161.04515	3.5
163.04062	2.5
178.06340	1.5
193.08647	3.1
310.64050	0.6
311.14966	1.2
375.79776	0.7
415.23657	1.4
457.25238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41416	0.2
55.01877	0.6
55.32161	0.2
57.03450	0.9
58.00591	0.6
59.01381	16.2
61.98831	0.7
69.03445	0.4
71.01383	15.5
72.01742	0.4
72.99311	1.2
73.02944	5.8
75.00875	0.2
81.03481	0.2
83.01383	1.4
85.02947	7.5
86.00056	0.2
87.00880	2.1
87.04517	0.6
89.02449	4.2
95.01395	1.0
97.02934	0.4
99.00878	1.3
99.04557	0.2
101.02444	9.5
103.04002	2.0
110.37855	0.2
113.02454	7.0
115.04018	0.9
119.03521	1.3
125.02438	0.5
129.01955	0.3
131.03537	1.3
133.06584	1.0
139.95007	0.2
142.99873	0.5
143.03510	3.9
144.03737	0.2
145.05052	0.5
149.09720	100.0
150.10046	5.6
159.03003	1.5
161.04553	17.4
162.04900	0.7
163.06088	1.1
168.63570	0.2
203.05649	0.2
205.03528	0.4
205.07181	3.1
229.12550	0.2
293.13867	0.4
307.10373	0.3
311.15021	2.9
339.04965	0.2
457.20770	13.8
458.21057	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29689	0.3
55.01875	1.2
57.03450	1.6
58.00587	0.6
59.01379	20.8
61.98835	1.1
66.89855	0.3
69.03461	0.5
69.39740	0.3
71.01382	24.1
72.99316	1.3
73.02945	8.3
75.00870	0.7
81.03461	0.5
83.01392	2.8
85.02951	10.4
86.00107	0.5
87.00871	2.8
87.04508	0.8
89.02443	4.8
89.49890	0.3
95.01395	1.4
97.02948	1.1
99.00867	2.7
99.04532	0.3
101.02442	14.4
103.04029	2.2
106.12888	0.3
113.02449	12.9
115.04018	1.2
119.03493	1.4
125.02448	0.9
129.01906	0.3
131.03516	1.8
142.99660	0.3
143.03493	4.7
145.05060	0.8
147.80508	0.3
149.09717	100.0
150.10043	5.0
151.03998	0.5
159.03012	2.9
161.04550	26.4
162.04860	0.4
163.06160	1.2
205.03500	0.5
205.07182	2.6
307.10269	0.7
311.01300	0.3
311.14972	3.3
311.31839	0.3
366.50894	0.3
376.26651	0.3
397.22189	0.3
457.20773	16.7
458.21021	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
59.01380	96.4
59.01688	4.4
61.98827	8.5
63.81333	1.6
69.28860	6.6
69.29273	9.5
71.01378	30.3
72.99297	2.3
73.02937	6.9
75.00847	2.2
77.84748	1.6
81.03435	4.4
83.01354	3.2
85.02960	14.7
85.39297	1.8
89.02459	16.6
89.16425	1.9
95.01358	5.3
99.04520	88.7
99.92612	3.0
101.02438	36.5
110.05138	1.9
113.02441	32.5
119.03511	6.8
123.04523	4.0
125.02452	43.3
126.02731	2.8
131.03488	4.6
143.03494	3.9
149.09715	2.3
161.04562	7.3
179.05510	2.3
231.38573	1.9
232.73578	2.0
248.91080	2.2
276.03210	2.1
457.23993	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	457.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33441	0.1
69.04820	0.2
69.32694	1.5
76.78035	0.2
83.52307	0.1
99.92583	5.0
100.92683	0.2
100.93362	4.4
115.92076	100.0
116.92085	4.8
116.92864	5.6
117.92630	0.2
132.92325	1.0
136.09238	0.2
142.77570	0.1
172.95459	4.6
173.95543	0.4
244.22606	0.2
268.22531	0.2
283.26346	0.8
294.19952	0.2
383.18930	0.6
399.18417	0.4
409.20578	0.8
439.21542	0.2
457.22607	4.1
458.22583	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
56.02274	0.6
57.03432	0.6
58.02966	2.2
59.01381	51.5
61.98829	3.9
69.88370	3.8
71.01382	13.4
73.02933	5.0
73.04074	13.7
80.43606	0.6
83.01390	1.6
85.02943	6.2
87.00874	1.8
87.05634	2.2
88.04047	1.1
89.02433	4.5
95.01364	1.2
97.04063	4.9
98.02494	2.3
99.00886	1.2
99.05592	0.9
99.08102	0.7
101.02451	7.6
107.47141	0.7
110.02452	1.0
113.02465	6.0
115.00365	1.1
115.05137	32.2
116.03474	0.7
116.05527	0.9
117.86745	0.7
119.03522	1.9
123.04546	1.6
126.06725	2.2
127.07683	1.5
128.07149	1.0
130.08743	70.7
131.09038	2.0
140.07172	2.0
143.03506	1.1
143.11890	1.3
144.07802	2.0
153.10365	1.5
155.11885	1.9
157.13460	3.1
159.03000	1.1
161.04559	6.5
163.06081	0.7
168.07777	3.9
168.09019	1.6
169.06134	1.2
173.13446	0.7
175.02454	2.3
183.11359	3.0
186.08838	2.0
199.18172	11.6
200.18376	1.0
208.56865	0.7
209.16606	0.9
214.15602	1.0
225.16124	1.3
238.15652	1.8
243.17056	4.0
247.08269	0.9
270.21872	22.7
271.22153	2.0
311.15018	4.3
314.20877	2.8
327.23987	3.4
352.71179	0.7
397.22516	1.3
413.24045	100.0
414.24319	10.8
415.23352	1.1
439.25592	1.7
457.20776	4.8
457.26694	17.8
458.21121	1.0
458.26938	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.0
65.24771	0.4
69.40430	1.1
69.40852	2.3
71.01384	1.3
79.48876	0.4
87.00872	0.5
89.02451	1.1
89.19288	0.4
113.32054	0.4
129.71483	0.4
133.23157	0.4
161.04587	0.4
179.05602	1.7
207.17543	1.9
218.25748	0.4
277.21716	17.1
278.22095	1.2
305.34171	0.4
386.45041	0.4
397.31348	0.6
409.33990	1.1
413.34271	1.1
456.35635	17.8
457.36014	100.0
458.36517	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	458.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62864	0.3
59.01375	1.0
61.98829	100.0
65.09045	0.3
65.19576	0.3
69.47060	1.2
69.47491	1.3
79.72468	0.3
90.59769	0.3
93.03455	0.4
93.49122	0.3
103.01830	0.5
108.02190	0.4
109.02963	0.4
117.37528	0.3
118.55110	0.4
119.05012	3.8
125.02438	1.0
131.01398	0.7
136.01654	0.5
138.77271	0.4
153.01970	0.4
164.01120	0.5
175.00330	2.2
189.02051	0.4
193.01392	1.9
203.18552	0.4
222.40320	0.3
295.06180	2.8
313.07162	5.7
313.10437	0.5
459.12912	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	458.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90087	1.0
60.00904	69.2
65.55891	1.1
69.25768	7.3
69.26201	3.6
75.86548	1.0
98.20653	2.5
112.98371	1.0
113.19238	1.1
122.15307	1.1
131.80478	1.0
142.68091	1.1
147.08118	1.9
149.09763	1.3
163.11201	2.6
187.11270	1.5
202.88306	1.0
277.21664	3.6
279.13876	1.3
280.14218	1.2
309.22171	3.1
337.21735	100.0
338.22012	12.0
439.18231	1.4
458.23734	12.0
459.24057	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	459.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
57.03456	21.4
59.01371	14.9
61.98830	18.0
62.96112	3.0
67.01888	9.0
68.99789	6.7
69.46653	15.7
69.47079	8.7
71.01385	100.0
72.99290	5.6
73.02934	13.8
74.77847	3.4
75.00854	6.2
75.36150	4.0
78.95889	3.9
83.01377	30.7
85.02950	24.9
87.00874	5.0
90.47094	3.6
94.65682	3.0
99.00890	25.5
101.02426	11.0
103.23608	3.7
103.92014	3.8
111.00887	43.0
111.62492	3.1
112.98858	3.5
113.02503	5.8
113.65221	3.8
115.00365	5.9
116.92852	21.2
116.97292	3.5
117.01936	7.1
118.21545	3.2
121.02973	17.5
123.04532	58.9
127.05125	3.4
129.01942	72.0
139.00226	3.2
145.01472	3.5
154.91785	3.2
161.04491	3.8
173.00868	9.6
175.02429	3.5
179.94749	3.2
209.51106	3.3
213.36223	3.2
280.99664	3.5
362.75720	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92586	0.3
59.01382	4.5
60.01707	0.4
61.98822	1.5
71.01376	0.9
75.66840	0.4
77.03974	0.8
79.01897	0.8
81.03474	0.8
83.01390	1.7
87.00898	0.5
89.02432	0.4
93.03458	0.6
95.05021	1.0
96.65279	0.4
101.02426	0.5
105.03446	0.8
107.01369	0.4
109.02937	0.3
113.02412	0.5
115.00319	0.5
118.04282	0.6
119.05029	1.9
121.02943	1.8
123.04511	0.7
125.02433	1.2
125.37206	0.4
133.06610	0.7
135.04514	1.1
137.06053	0.6
140.19048	0.4
145.02800	0.4
146.03709	0.6
147.04497	1.0
149.02475	2.4
150.03186	0.3
159.04503	0.7
161.02415	1.6
161.06061	3.8
162.03198	0.8
163.00380	0.4
163.03995	5.7
163.11234	0.4
165.01936	0.9
165.05513	0.8
165.82034	0.4
175.02480	0.4
175.04001	0.7
177.01888	0.4
177.05507	0.6
179.03497	0.6
189.05583	1.0
190.02748	3.1
191.03464	4.1
203.03473	2.8
204.04204	3.5
205.05048	84.2
206.05389	5.4
215.03532	3.0
217.05038	0.6
231.03017	1.2
233.04535	100.0
234.04884	7.1
245.04576	2.7
246.04877	0.5
257.12973	0.4
263.05536	3.0
310.10001	0.4
339.08713	52.0
340.09048	5.4
353.08810	2.3
369.09769	1.6
459.12952	64.9
460.13235	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	459.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.5
59.88805	0.7
61.98820	2.2
62.63742	0.9
65.00323	1.3
71.01367	2.2
79.01887	1.1
82.41698	0.7
83.01364	2.2
85.02935	0.8
88.98788	1.2
89.02443	7.1
95.01397	0.8
101.02410	1.1
105.03400	0.9
107.01381	1.0
117.07055	1.1
119.05016	1.9
121.02982	1.1
123.04528	1.5
125.02442	1.0
129.90436	0.7
131.67754	0.6
135.04543	1.4
137.06024	1.9
146.03758	0.8
147.04515	2.6
149.02426	3.0
151.00371	4.8
161.02438	3.4
161.04826	0.9
161.06015	5.0
163.00296	0.8
163.03996	3.2
169.23909	0.7
175.03944	1.4
189.05499	0.8
190.02715	5.5
191.01721	1.2
191.03482	21.3
193.01393	1.0
203.03497	12.0
204.04211	5.0
205.05048	53.8
206.05319	3.1
215.03485	1.2
217.05098	4.8
229.46237	0.8
231.03091	1.6
233.04529	100.0
234.04855	7.9
236.03299	0.8
245.04538	9.6
247.06137	0.9
263.05591	26.1
264.05923	1.3
275.05484	1.0
279.06989	1.2
339.08719	46.6
340.08978	4.6
353.08691	4.0
355.13065	0.7
365.87155	0.8
369.09802	12.1
370.10193	1.1
411.11160	1.0
416.19543	0.7
441.11960	0.9
459.12967	52.9
460.13324	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	459.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85928	1.5
59.01380	20.5
68.02416	1.6
69.93941	3.6
69.94341	3.8
71.01379	14.3
73.02947	49.9
85.02969	2.0
87.00883	2.2
89.02442	16.6
99.00876	4.6
101.02431	7.1
110.79179	1.8
111.00896	1.9
113.02441	6.2
116.92848	5.7
116.97266	4.2
117.01940	100.0
118.02298	2.4
118.05077	4.3
119.03512	10.1
131.03488	1.7
143.03479	2.4
151.00323	1.7
161.04614	1.7
179.05649	9.7
341.10818	21.9
342.11172	2.9
437.00174	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51924	0.8
59.01366	2.3
61.98822	2.5
63.49017	0.8
71.01377	2.1
71.55104	0.9
73.02947	42.8
74.03260	1.1
81.84824	0.9
87.00894	1.4
92.95982	1.4
99.00882	5.0
101.02467	0.8
116.92863	5.0
116.97292	1.9
117.01943	100.0
118.02275	1.9
118.05086	1.3
175.02437	1.0
284.96310	1.1
287.81580	0.9
341.10919	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01381	100.0
60.01719	1.5
61.98832	2.5
62.00632	0.6
69.42696	1.1
69.43102	4.4
69.87025	0.6
70.99688	0.6
71.01389	8.4
73.02963	2.8
76.53485	0.6
83.01424	1.2
85.02950	3.4
87.00912	0.6
89.02445	4.3
95.01385	0.6
98.19860	1.2
99.00875	1.2
99.04512	0.7
101.02457	8.3
101.97212	0.6
113.02458	4.5
119.03537	2.7
136.21591	0.7
143.03543	0.9
158.30299	0.8
159.03079	0.8
161.04561	5.8
178.99760	0.6
209.98299	0.7
213.52438	0.7
216.77838	0.7
248.55623	0.7
397.94531	0.7
399.23883	13.0
399.28702	1.0
400.24283	1.0
452.39407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01379	100.0
60.01709	1.2
61.98824	3.0
67.36348	0.7
71.01384	10.4
72.99301	0.8
73.02953	2.1
83.01405	0.9
83.05048	0.6
85.02928	3.7
87.00893	0.8
88.41882	0.6
89.02436	4.8
95.01437	1.1
99.00869	0.8
99.04526	0.6
101.02445	7.7
113.02442	5.1
119.03526	2.9
125.02448	1.0
130.57671	0.6
161.04536	5.7
179.05638	1.0
230.45952	0.9
399.23843	13.2
399.28629	0.9
400.24191	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01727	1.0
61.16272	0.7
61.98835	1.6
70.88554	1.6
78.95993	0.9
93.53587	0.7
121.02998	2.1
177.64812	0.8
214.91977	0.8
249.18716	1.2
291.19861	1.1
293.17706	2.1
325.20175	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	459.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03452	2.2
58.00600	1.6
58.34468	0.4
59.01381	100.0
60.01709	1.0
61.98840	3.2
67.79733	0.4
69.03462	0.8
70.24953	1.7
71.01383	22.0
72.01729	0.9
72.99310	2.0
73.02948	10.1
75.00865	0.8
83.01384	2.5
85.02951	9.7
86.00091	1.1
87.00888	5.9
87.04501	2.6
89.02448	13.6
95.01400	1.5
97.02974	0.8
99.00897	1.8
99.04520	3.1
101.02448	19.4
102.02757	0.5
103.03999	3.2
111.00898	0.8
113.02455	8.6
115.03990	2.0
119.03511	5.8
125.02469	1.4
127.04055	0.6
131.03513	4.5
143.03511	7.0
144.03815	0.5
145.05086	1.7
149.09695	2.5
150.10086	1.3
151.10330	0.6
161.04556	4.7
163.06139	9.8
163.07411	0.8
179.05569	0.6
205.07161	9.0
227.03490	2.5
228.04102	0.4
247.08290	1.9
255.02948	3.8
255.19730	1.1
256.03592	0.8
283.02554	0.5
284.03296	5.8
285.03864	2.0
329.19684	0.9
399.23917	7.6
400.24341	1.0
417.24966	8.1
418.25534	0.7
459.09232	3.0
459.21967	3.7
460.10199	0.7
460.22427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.98866	1.0
60.01720	1.5
61.98821	2.0
70.74671	3.1
70.75041	1.0
71.01402	2.6
71.04468	1.0
93.08195	1.2
101.02413	1.0
121.02954	1.2
121.24271	0.9
122.08729	1.1
204.50970	1.1
212.53813	0.9
293.17642	2.8
325.20322	6.0
431.06210	1.2
459.29556	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	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
57.03442	3.0
58.00585	1.2
59.01379	100.0
60.01718	1.5
61.82966	0.4
61.98830	3.4
69.03468	0.8
70.09989	1.9
71.01382	23.1
72.99306	2.4
73.02949	8.5
75.00867	0.8
81.03472	0.7
83.01385	3.0
85.02950	8.6
86.00123	1.1
87.00877	5.2
87.04504	2.4
89.02446	14.0
95.01398	2.1
97.02980	0.7
99.00900	1.8
99.04526	2.6
101.02445	19.6
102.02805	0.6
103.04012	4.1
105.26672	0.4
109.02963	0.6
111.00903	1.1
112.01659	0.5
113.02451	9.6
115.04038	2.0
119.03513	6.7
120.03923	0.5
125.02451	1.5
131.03528	2.9
142.49118	0.5
143.03500	6.2
145.05141	1.6
149.09756	3.1
150.10081	2.5
151.10358	1.0
159.03032	0.9
161.04573	5.2
161.33684	0.4
162.04951	0.6
163.06134	9.1
163.07402	0.7
170.94257	0.5
179.05663	0.5
205.07155	7.7
227.03488	2.8
247.08307	1.7
255.02940	4.6
255.19814	0.7
256.03503	0.5
284.03223	6.2
285.04047	2.2
297.20728	0.5
300.26767	0.5
313.16586	0.7
329.19806	1.5
399.23846	8.2
399.28662	0.6
400.24573	1.0
417.24924	7.5
418.25510	0.9
459.09583	1.9
459.21722	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99503	0.3
55.01881	0.5
57.03449	1.0
58.00594	0.8
59.01381	100.0
60.01708	1.4
61.98830	4.9
62.49760	0.3
69.03461	0.5
71.01387	15.6
71.57040	0.5
72.01702	0.3
72.99295	0.6
73.02950	5.7
75.00883	0.7
79.13136	0.3
83.01404	2.4
85.02950	5.2
87.00889	1.2
87.04539	0.6
89.02451	8.2
89.06098	0.4
93.03495	0.5
93.73752	0.3
95.01398	1.4
97.02990	0.4
99.00890	1.0
99.04568	0.3
99.08199	0.3
101.02451	9.7
103.04022	0.5
109.02928	1.4
113.02454	7.3
115.03989	0.3
119.03495	3.0
119.05027	0.8
121.03001	1.0
123.00851	0.3
123.04575	0.4
125.02462	1.1
129.02007	0.4
131.03557	0.7
135.04539	0.4
143.03493	1.7
151.00365	0.3
151.03998	0.6
153.01895	0.5
161.02470	0.5
161.04556	4.3
163.06155	0.9
167.03397	0.3
175.00410	0.4
175.02495	0.3
179.05690	0.6
205.07227	0.8
219.02893	0.3
237.07707	1.5
255.19775	1.1
283.06418	0.5
295.06201	0.8
313.07306	1.3
315.08667	0.4
339.04984	0.7
369.06305	0.5
399.23969	1.3
417.25012	7.2
418.25522	1.0
459.09094	0.5
459.26682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
69.28780	1.9
98.19912	0.5
101.46702	0.2
103.71830	0.3
107.05031	30.5
108.05370	1.1
111.36164	0.3
116.92862	0.6
121.16778	0.2
145.02173	0.2
146.71262	0.3
147.08229	0.4
159.62819	0.2
163.11285	100.0
164.11610	5.4
171.58507	0.3
211.40504	0.3
229.51805	0.3
238.09900	0.5
261.21289	0.3
265.12238	0.4
280.14600	0.5
283.17032	22.8
284.17404	1.9
295.17010	13.3
296.17383	1.0
408.56348	0.3
444.26556	0.3
459.29019	75.1
460.29391	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	459.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.8
70.22928	11.4
71.01372	9.1
79.66103	3.3
82.62574	3.1
89.02443	8.6
107.05063	4.3
108.43067	3.0
113.02425	3.9
140.26349	3.1
163.11250	8.0
179.05545	6.7
279.20395	6.0
279.23303	100.0
280.23587	12.2
283.17038	10.0
459.18207	3.3
459.37692	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	460.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.3
61.98830	33.4
69.28474	11.3
69.28892	5.4
71.01383	21.2
72.99317	2.1
73.02947	3.7
75.00885	2.3
75.26921	1.8
83.01389	3.3
85.02968	8.8
85.03499	1.8
87.00890	2.6
89.02451	15.9
93.03456	2.1
95.92252	1.7
97.02996	2.1
101.02438	11.2
113.02465	6.8
119.03449	2.5
119.92655	1.8
123.04520	15.6
124.36783	1.9
138.03230	2.4
138.06897	5.8
139.00397	3.5
139.07663	3.3
140.01149	2.1
151.07663	4.4
153.05576	3.9
153.09212	23.5
155.03467	2.8
161.04576	13.4
163.04012	4.1
165.09227	4.0
175.02504	2.0
185.67140	2.1
191.03517	4.6
198.66951	1.8
205.05037	72.1
206.05333	2.6
208.84550	1.8
215.03442	2.3
221.11832	14.9
233.04543	100.0
234.04895	7.7
239.12880	15.3
245.04483	4.0
277.07202	12.9
353.08755	47.6
354.09128	5.6
397.11374	59.6
398.11716	4.7
401.18036	3.9
477.80493	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Parkinsonin A
Peak:m/z	Relative Intensity
59.01389	2.9
61.98830	4.8
69.29848	2.1
69.30276	2.4
71.01363	1.2
73.02920	0.8
78.66416	0.5
89.02460	0.9
90.06113	0.5
92.29385	0.6
98.19854	1.0
101.01392	0.6
101.02455	1.1
104.64492	0.5
106.18390	0.6
107.01396	1.2
108.00262	0.4
108.02164	0.6
109.02912	0.8
113.02422	0.5
121.02930	1.0
131.01337	0.6
132.02118	0.7
133.02931	2.0
134.03748	2.9
135.00867	0.6
137.02426	1.2
147.04552	1.1
149.02455	2.3
151.00359	2.3
161.02443	1.3
163.00342	2.8
163.03912	0.5
164.01117	1.2
165.01927	1.5
166.02481	0.6
167.38785	0.6
173.02481	0.6
178.99849	0.7
179.03496	0.7
189.01900	0.8
191.03436	1.2
214.06152	0.6
219.13846	0.9
225.05711	0.8
227.03514	1.0
240.04367	0.6
241.04994	1.6
253.05042	0.7
255.03032	2.4
263.12927	2.2
269.04544	2.3
270.05286	2.5
271.02417	1.4
272.03149	0.5
284.03247	1.4
285.04007	0.6
296.03278	1.0
297.04047	14.1
298.04819	82.3
299.05228	7.1
300.02893	1.1
301.03525	4.2
308.03183	1.4
309.03867	2.7
311.05551	0.5
313.07178	13.6
314.07825	1.3
323.05774	1.5
326.04315	7.4
327.05008	1.0
330.03738	1.1
341.06659	100.0
342.06976	9.3
353.06540	2.0
371.07721	4.0
372.08109	0.8
411.19235	0.5
456.05878	0.6
461.10947	37.7
461.24258	1.6
462.11273	4.5
464.96033	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35571	0.2
52.66312	0.2
54.84541	0.2
55.01881	1.4
57.03444	1.4
58.00589	0.8
58.23546	0.2
59.01381	17.3
61.98831	2.0
69.03450	0.6
71.01385	26.4
72.01714	0.4
72.99306	1.3
73.02950	8.3
75.00865	0.5
81.03464	0.4
83.01392	3.1
84.02163	0.3
85.02953	12.8
86.00095	0.3
87.00876	2.3
87.04523	0.3
89.02442	6.9
93.03528	0.2
95.01388	1.8
97.02964	0.5
99.00886	4.0
101.02451	16.5
102.02795	0.3
103.04013	1.7
104.92572	0.2
109.02974	0.3
111.00898	0.3
113.02453	9.8
114.02783	0.4
115.04012	0.5
119.03506	3.2
121.02953	0.4
125.02465	0.6
129.01978	0.3
131.03513	1.0
143.03517	2.2
145.05070	0.5
159.03024	2.4
161.04559	15.3
162.04924	0.5
163.06163	1.4
163.07422	0.2
172.05299	1.3
173.05972	0.5
178.85413	0.3
180.05814	3.0
181.06540	2.0
182.06975	0.3
183.04555	1.3
196.05322	0.7
197.06160	0.5
201.05489	0.5
205.07248	1.2
213.05550	1.7
214.06339	0.9
224.04771	1.6
225.05569	16.7
226.05888	1.3
231.10280	0.6
241.05077	11.2
242.05766	2.4
255.06604	0.6
257.08197	100.0
258.05975	0.5
258.08536	7.9
260.69379	0.2
271.23981	0.2
286.59689	0.2
299.09430	0.3
315.18127	11.3
316.18515	1.0
461.23923	16.2
462.24109	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	461.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.3
61.98834	2.9
62.16249	2.4
78.95913	2.1
98.20720	4.5
121.16010	2.5
132.02179	6.8
134.04672	3.1
145.02974	8.1
160.01654	19.4
183.58472	2.1
213.05498	3.0
241.05096	2.7
256.07419	6.7
271.09729	9.5
273.91241	2.3
285.09171	3.9
289.08990	2.2
301.08795	2.5
317.08029	7.5
321.07553	4.5
327.06808	3.5
328.07349	6.2
329.08133	13.3
332.10663	3.1
336.09976	4.5
339.06528	3.1
341.08014	4.3
343.09717	6.8
345.07724	9.8
356.07150	3.9
357.07669	69.9
358.08264	18.2
359.09003	4.4
360.10052	14.6
371.09195	13.3
372.09900	12.4
373.06552	10.6
373.11136	4.7
385.07184	9.2
386.07751	8.1
387.08386	3.6
388.09399	14.2
399.08878	14.1
400.09503	76.8
401.10107	32.9
402.10748	3.7
403.11917	5.4
412.09470	2.8
413.10516	6.1
414.10861	13.7
415.11838	94.6
416.08493	16.1
416.13535	31.5
429.13458	16.8
430.14203	100.0
431.10568	71.2
431.16135	8.7
432.11652	9.2
444.12143	10.9
445.13116	10.3
446.13724	53.2
447.14011	6.5
461.16083	94.5
461.29230	2.8
462.16434	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	461.1661
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
50.78359	0.5
55.01866	2.1
57.03450	3.4
58.00605	1.3
58.05044	0.5
59.01380	30.6
61.98832	5.5
62.68419	0.7
69.03447	1.3
69.33691	4.7
69.34100	1.1
71.01383	55.0
72.01702	0.7
72.99306	1.9
73.02950	17.9
75.00874	1.9
78.14202	0.5
78.91866	1.0
81.03438	0.7
83.01390	5.5
84.02200	0.7
85.02955	28.5
86.00105	1.4
87.00876	9.2
87.04514	2.2
89.02453	12.4
93.03487	1.3
95.01395	5.4
95.86207	0.6
97.02960	2.1
99.00880	5.5
99.04547	0.9
101.02451	31.4
103.04007	4.7
111.00888	2.4
113.02451	27.3
115.04031	2.8
119.03480	2.9
123.00890	63.9
123.04527	0.9
124.01229	1.9
125.02446	2.5
131.03514	5.3
137.02425	1.9
138.03232	100.0
139.00401	1.4
139.03563	3.7
143.03508	11.8
144.03943	0.6
145.05098	1.8
151.04042	0.6
153.05579	56.5
154.05943	2.6
159.02988	6.2
161.04559	62.1
162.04874	2.0
163.06134	1.8
163.62692	0.6
165.05664	1.2
179.05647	0.8
179.07106	1.4
195.06732	0.7
205.03596	1.2
205.07176	9.0
220.35194	0.6
237.07649	0.7
251.05386	0.7
288.55502	0.6
297.09744	0.7
307.10275	0.9
315.10788	7.0
359.63339	0.6
461.16684	24.7
462.17221	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	461.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.8
61.98825	1.4
64.32403	0.4
70.68554	1.4
71.01385	6.4
71.86406	0.4
72.99308	2.9
73.02944	2.8
75.00874	100.0
76.01254	0.9
83.01382	1.2
85.02956	3.9
87.00867	0.7
89.02454	1.8
89.21998	0.4
95.01380	0.6
99.00868	1.0
101.02444	5.5
102.98639	0.5
112.98927	0.4
113.02446	2.7
119.03455	0.5
120.89778	0.4
125.02440	1.3
145.02960	0.5
149.02458	0.5
161.04568	3.7
198.58234	0.4
212.90034	0.5
221.11984	0.5
269.10309	6.0
269.12741	0.7
270.10822	0.6
415.16116	11.9
416.16464	1.1
461.13348	1.2
461.20190	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33703	2.1
58.00580	3.4
59.01381	100.0
59.07797	2.2
61.98817	7.7
69.44946	15.4
71.01006	4.1
71.01383	67.9
72.99307	3.4
73.02935	9.7
83.01392	3.6
85.02963	16.4
85.09935	2.4
87.00871	3.1
87.91279	2.2
89.02450	80.8
95.01377	4.7
101.02452	36.7
101.27354	2.0
108.02198	2.1
108.38447	2.2
113.02450	36.9
119.03505	34.3
119.04949	2.2
120.03911	2.4
123.00870	2.1
123.04533	8.0
125.02441	3.9
131.03458	3.3
134.09177	2.2
137.02470	3.6
137.06068	2.6
138.03207	3.4
138.06862	6.1
139.00380	5.3
143.03535	5.4
151.07596	2.9
152.08459	2.1
153.09224	19.8
155.03464	2.5
161.04550	16.5
165.09142	2.3
179.05621	18.8
180.06033	2.1
203.10736	5.7
206.09412	4.5
221.11832	18.9
233.04535	3.6
234.04741	2.6
238.18253	2.5
239.12958	13.3
280.68652	1.9
299.11191	3.4
347.44543	2.5
401.18112	15.7
461.16324	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	461.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79186	0.4
55.01878	2.2
55.30621	0.5
56.99825	0.5
57.03437	2.4
58.00595	3.5
59.01379	100.0
60.01714	1.0
68.41525	0.5
68.99844	0.5
69.03458	2.0
69.85302	2.0
71.01384	46.0
72.01759	0.5
72.99312	6.1
73.02946	19.3
75.00851	0.6
81.03464	0.5
81.84491	0.5
83.01379	3.9
85.02953	19.4
86.00105	2.5
87.00877	14.7
87.04507	5.8
89.02446	50.3
90.02795	0.6
95.01391	2.8
97.02947	1.2
99.00898	1.2
99.04566	0.7
101.02444	47.0
102.02793	0.8
103.04009	14.3
113.02448	17.5
115.04008	8.1
119.03506	22.8
120.03867	0.5
125.02450	1.6
127.04061	1.2
131.03503	14.6
131.04457	1.0
143.03497	24.0
145.05075	6.1
149.04578	0.9
150.84360	0.4
161.04572	4.6
163.06122	37.3
164.06488	1.5
179.05641	2.1
205.07169	36.5
206.07588	1.3
247.08228	6.6
270.72879	0.5
287.96500	0.5
304.64285	0.5
315.18381	1.5
461.10834	0.7
461.23840	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	461.2392
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
55.01878	5.9
57.03446	5.5
57.11730	0.3
58.00591	2.7
59.01379	61.4
60.01706	0.7
61.98821	0.3
62.08791	0.2
67.01896	0.4
68.99816	0.4
69.03458	1.6
69.33218	0.5
69.33626	1.5
71.01380	100.0
72.01717	1.5
72.99306	4.1
73.02945	34.2
74.03270	0.6
75.00861	1.9
81.03461	0.8
81.38422	0.2
83.01385	12.1
84.02162	0.7
85.02950	52.6
86.00104	0.9
86.03293	0.8
87.00875	6.4
87.04484	1.3
89.02446	18.8
90.02748	0.4
95.01387	8.3
97.02944	2.9
99.00880	14.6
99.04507	0.7
100.01181	0.3
101.02443	60.9
102.02782	1.2
103.04014	5.1
109.02928	0.3
111.00875	2.0
112.01665	0.3
113.02449	40.8
114.02790	0.8
115.04020	1.9
119.03508	5.9
125.02445	3.6
127.04018	0.8
129.01935	1.8
131.03494	2.4
143.03503	7.3
145.05081	1.4
159.01666	0.5
159.02991	10.0
161.04561	69.4
162.04898	2.3
163.06116	2.8
178.04845	0.5
179.05592	0.7
204.58188	0.2
205.03551	1.5
205.07173	2.4
219.13828	0.9
237.15033	0.5
297.17123	0.3
315.18103	47.4
316.18488	3.8
461.23904	64.0
462.24249	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	461.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09669	0.4
55.01875	5.6
57.03450	4.9
58.00603	2.7
59.01379	64.7
60.01730	0.7
67.01902	0.4
68.99845	0.4
69.03455	1.8
71.01382	100.0
72.01724	1.6
72.99313	4.5
73.02946	33.9
74.03292	0.7
75.00886	2.0
77.03908	0.3
81.03449	0.9
83.01385	11.9
83.01884	0.6
84.02156	0.7
85.02953	49.1
86.00103	1.1
86.03295	1.5
87.00871	7.6
87.04477	1.7
89.02444	21.9
93.39451	0.3
93.50771	0.3
95.01390	7.0
97.02954	2.5
99.00883	14.6
99.04532	0.6
101.02444	64.8
102.02781	1.2
103.04007	5.5
109.02948	0.5
111.00902	2.1
113.02451	42.6
114.02796	1.2
115.03986	2.4
116.25330	0.3
119.03503	8.7
125.02467	3.4
127.04023	0.9
129.01950	1.7
130.02132	0.4
131.03514	2.8
143.03485	8.5
144.11295	0.4
145.05048	1.6
159.02992	10.4
161.04555	78.0
162.04904	2.8
163.06148	3.8
166.57811	0.4
178.04697	0.5
179.05615	1.6
184.11697	0.4
205.03546	1.4
205.07175	3.7
219.13910	0.7
237.14906	0.4
297.17139	0.5
315.18109	48.0
316.18466	4.3
374.46609	0.4
413.47159	0.3
461.23917	64.3
462.24289	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	462.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01041	1.2
56.14630	1.4
58.51593	1.2
59.01374	6.2
60.20093	1.1
61.98831	100.0
69.34574	11.6
71.01393	5.8
73.02959	1.3
83.01411	1.4
85.02975	1.6
98.20601	2.0
101.02434	5.2
161.04462	2.1
258.08560	1.7
297.47336	1.5
462.24310	4.7
463.09473	1.9
463.24881	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	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55241	0.7
59.01379	4.6
61.98831	100.0
67.42538	0.8
71.01386	4.2
73.02943	1.4
74.02492	1.0
83.01402	1.0
85.02937	1.9
89.02419	1.2
99.00885	1.0
101.02429	2.6
113.02446	1.9
149.40446	0.7
190.77707	0.9
255.02815	0.8
271.02316	1.0
300.02716	1.1
301.03772	1.3
462.24478	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	462.2627
Annotation	Cytochalasin Z1
Peak:m/z	Relative Intensity
59.01381	1.1
61.98837	0.4
62.96417	0.4
70.29071	1.0
78.95905	22.1
104.97491	0.4
122.00134	1.0
134.04796	0.4
134.98482	0.5
140.01205	5.5
149.00093	4.8
152.99553	1.3
194.98857	12.8
196.03798	10.9
202.30074	0.4
214.04875	2.8
229.53780	0.4
247.20651	0.9
265.21710	100.0
266.22086	9.0
271.02206	0.4
300.02615	1.2
400.32999	0.7
417.34042	0.5
418.33972	2.1
444.31757	0.9
461.32672	0.9
462.26239	24.3
462.33066	6.1
463.11252	8.6
463.26257	2.5
463.32486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.23057	3.7
63.75434	3.2
66.84471	3.8
69.18721	41.6
70.48779	4.2
78.95914	5.6
83.96739	3.2
84.80610	3.1
88.58757	4.1
96.96042	5.8
102.81400	3.6
106.05638	4.0
114.97757	4.1
151.07666	4.6
167.01158	4.5
173.43491	3.7
186.08981	3.9
249.66115	3.6
295.26407	51.9
420.35526	8.0
462.37067	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	463.0885
Annotation	Isoetin 5'-glucoside
Peak:m/z	Relative Intensity
53.05590	0.7
59.01382	14.1
60.99337	1.1
61.98830	9.1
63.02431	1.9
65.00371	2.2
69.53032	5.1
70.37964	0.8
70.49513	0.7
71.01391	4.9
73.02974	1.0
83.01427	2.2
85.03011	2.3
88.98800	9.0
89.02455	1.7
101.02488	2.7
107.01383	3.8
108.02223	1.2
109.02991	4.4
113.02496	2.0
121.03009	3.1
123.00919	1.1
125.02470	1.2
135.00908	1.4
143.03568	0.9
148.01727	1.6
149.02507	1.8
151.00377	19.6
152.00945	0.9
159.04639	0.9
161.04558	1.8
163.00371	4.1
171.04630	0.8
178.99852	9.6
183.04552	1.6
187.04044	1.5
199.04030	2.0
211.04031	1.6
212.43883	0.8
215.03606	1.2
226.02791	2.7
226.56242	0.9
227.03500	5.3
228.04214	1.3
229.05075	1.0
243.02930	9.6
244.03450	1.0
245.04698	1.9
254.02187	2.0
255.00258	1.0
255.00688	0.6
255.02971	25.8
256.03500	2.0
257.12970	2.8
271.02466	52.8
272.02945	6.1
273.04047	2.0
283.02542	3.0
284.03061	1.8
285.04053	16.3
286.04358	1.1
299.02005	1.4
300.02744	73.7
301.03506	100.0
301.11801	1.9
302.03912	8.9
343.04642	0.9
421.20551	2.1
445.07736	43.8
446.07938	4.6
463.08713	30.4
463.21719	2.5
464.08798	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	463.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25941	5.9
71.57607	0.6
107.01382	1.4
108.02174	1.5
109.02957	1.0
110.89059	0.6
121.02950	1.7
148.01700	0.8
151.00377	10.3
163.00388	2.2
178.99854	6.3
199.04182	0.7
210.27248	0.7
211.03975	1.0
226.02722	1.5
227.03445	2.9
229.05032	0.6
243.02979	7.0
244.03355	0.9
245.04466	1.4
254.02257	2.5
255.00189	1.1
255.02979	21.2
256.03461	1.7
271.02475	46.8
272.02911	5.9
273.04031	1.2
283.02563	1.6
299.02057	0.8
300.02750	100.0
300.99677	0.7
301.03445	60.2
302.03906	3.6
463.08817	67.1
464.09116	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40141	0.6
51.38283	0.7
59.01386	3.3
61.98834	7.5
66.83085	0.7
67.77106	0.6
71.01391	1.0
71.46065	0.6
89.02441	0.7
90.51941	0.6
93.03458	1.0
101.02445	1.0
110.00095	5.2
111.00880	2.4
124.01648	0.7
130.26169	0.6
136.98843	0.6
137.99579	2.8
139.00377	4.9
151.00308	1.1
161.04561	0.9
163.48366	0.6
165.99077	8.7
166.99838	3.2
171.04495	0.8
178.99815	1.3
183.04463	0.7
193.98512	1.0
194.99055	0.6
197.50061	0.6
198.03255	1.8
201.05565	1.6
226.02715	2.0
227.03490	2.5
228.04121	1.3
243.02986	36.2
244.03404	2.7
245.04526	2.0
254.02277	2.4
255.02995	13.7
256.03381	2.1
271.02472	52.0
272.03171	15.6
273.03778	1.4
283.02347	0.9
287.01898	1.1
300.02750	38.0
301.03525	61.6
302.03973	5.0
304.02231	2.1
343.04327	1.1
463.08813	100.0
464.09097	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	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.5
61.98832	4.8
63.61235	0.5
71.01387	2.9
71.56684	0.9
72.99303	0.8
73.02959	0.6
83.01418	0.5
85.02946	1.6
87.00890	0.6
89.02437	2.1
93.03481	1.0
99.00872	0.6
101.02440	2.9
111.00858	1.4
113.02443	1.7
119.03491	0.6
121.02943	1.3
125.02453	0.8
134.03798	0.7
137.02425	0.9
139.00385	3.1
149.02426	0.9
150.03212	1.1
151.00403	1.1
161.04517	1.2
165.01924	1.2
165.05591	1.6
165.99060	1.1
166.99727	0.7
171.04439	0.7
175.02567	0.6
193.01341	1.8
193.05045	1.0
193.98520	1.2
199.04004	0.7
209.11797	1.0
226.02832	0.8
227.03491	11.5
243.02971	21.2
244.03468	1.7
254.02148	1.7
255.02972	67.5
256.03366	5.7
271.02466	73.1
272.03113	14.7
273.03659	1.1
283.02332	0.7
300.02734	43.5
301.03403	8.4
301.06915	1.1
315.05081	0.8
341.75409	0.5
343.04507	6.5
344.05060	0.7
352.38922	0.7
373.05383	1.4
403.19800	0.6
413.86987	0.5
414.38986	0.5
463.08795	100.0
463.22186	2.1
464.09100	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	463.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63254	0.5
58.10136	0.5
59.01378	3.0
61.98849	1.0
62.96393	1.7
62.96708	0.5
69.37767	4.5
78.95898	10.6
83.02543	0.5
93.32256	0.5
96.96997	0.6
98.19822	1.2
140.01144	1.2
149.00090	33.1
155.53261	0.5
192.98125	0.6
194.98857	100.0
195.99168	3.1
196.03784	2.0
199.95860	0.5
253.35654	0.7
265.21710	19.8
266.22037	8.7
271.02429	2.2
300.02774	2.6
301.03458	1.7
418.34436	1.1
462.26245	3.4
462.33163	1.8
463.11160	60.6
463.25482	3.5
464.11444	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.3
61.98836	1.4
69.83095	0.3
71.01385	1.6
71.56405	0.4
72.99350	0.3
73.02935	0.5
78.96007	0.3
82.99553	0.3
83.01421	0.4
84.45046	0.3
84.90719	0.3
85.02933	0.6
88.98818	0.7
89.02460	1.1
95.01416	0.3
101.02447	1.1
107.01400	0.7
108.02113	0.4
108.04590	0.5
109.02944	0.4
113.02464	0.5
119.05077	0.6
121.02975	0.4
126.27706	0.3
136.07658	0.6
137.02423	0.4
151.00328	1.9
163.00374	0.5
178.99837	0.7
201.05615	0.4
211.04027	0.4
227.03497	1.3
228.04263	5.7
229.04773	0.4
239.03499	4.2
240.03990	0.4
242.05876	0.5
243.02982	0.9
243.06572	2.4
245.04553	0.3
254.02176	0.3
255.02997	6.7
256.03772	20.4
257.04126	1.8
257.12881	1.6
259.09738	0.5
269.04532	0.7
270.05383	0.5
271.06113	100.0
272.06464	8.5
283.02576	0.6
284.03284	0.8
285.04056	1.1
286.08466	48.7
287.08847	4.7
300.02747	5.7
301.03714	6.0
301.10803	95.1
301.19894	1.5
302.07846	0.6
302.11148	8.8
315.13202	0.4
343.04462	0.4
421.20663	0.9
445.07855	1.5
463.08737	3.0
463.15988	3.1
463.25623	4.5
464.16144	0.6
464.25766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.162
Annotation	Icariside A5
Peak:m/z	Relative Intensity
55.03942	0.3
59.01382	2.5
61.98829	1.4
63.86356	0.3
64.81483	0.3
69.32475	3.1
71.01384	1.4
71.37558	0.3
80.20276	0.4
83.01402	0.4
85.02959	1.0
87.00898	0.4
89.02449	0.4
95.97714	0.3
99.77116	0.3
101.02440	0.9
113.02454	0.6
119.03515	0.3
137.02446	0.5
161.04608	0.5
162.04936	0.4
221.68364	0.3
227.03572	0.4
228.04266	6.2
229.04700	0.4
237.01910	0.4
239.03522	4.2
240.03922	0.6
241.08717	0.7
242.05908	0.9
243.06667	2.3
247.82576	0.4
255.02969	4.4
256.03757	18.8
257.04041	1.7
263.31149	0.4
271.06113	100.0
272.03564	0.4
272.06418	7.6
286.08472	47.5
287.08826	3.5
300.02811	1.9
301.03961	2.2
301.10800	98.2
302.11160	8.9
420.19531	0.6
463.08771	1.2
463.15829	1.3
463.25040	1.5
464.17673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42208	0.5
57.03461	0.9
58.00586	1.0
59.01382	100.0
60.01724	0.7
61.98832	6.7
71.01384	20.5
71.56786	0.7
72.99319	1.2
73.02956	0.9
78.20686	0.4
83.01368	0.7
85.02969	3.8
87.00900	1.9
89.02444	27.9
95.01419	1.0
101.02441	10.5
113.02448	8.5
119.03497	11.6
121.02946	0.6
125.02441	0.8
131.03506	1.2
143.03499	3.0
149.04585	1.2
161.04591	3.8
165.09175	4.2
167.03677	0.6
179.05614	9.9
193.05074	0.5
205.12402	0.8
257.08405	0.6
271.02609	0.7
300.02914	1.0
318.11438	0.5
403.20071	0.8
408.40536	0.6
463.09015	0.9
463.16583	0.7
463.22241	1.2
487.74292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3794
Annotation	Certonardosterol E2
Peak:m/z	Relative Intensity
59.01387	0.7
61.63487	0.4
69.64308	2.0
71.45947	0.5
83.79624	0.4
96.95991	0.9
98.19915	0.7
107.05058	0.8
108.71397	0.4
109.02952	0.7
120.05807	2.9
122.03735	0.9
123.08166	0.5
125.02443	0.6
125.06096	3.9
135.08160	18.9
136.08507	0.6
137.02475	0.4
137.06093	2.5
151.07666	0.8
153.09160	0.8
165.05565	1.5
170.05872	1.8
177.09157	0.5
180.67589	0.4
222.42223	0.4
255.03151	0.5
271.02362	0.8
295.26410	5.3
300.02808	0.8
301.03647	0.5
302.60056	0.4
344.30719	0.5
403.35773	2.0
404.36292	0.6
405.33859	0.7
421.36957	27.5
422.37244	4.0
463.37982	100.0
464.38297	13.5
464.44995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64554	0.7
58.00611	0.7
59.01381	8.8
61.98832	100.0
69.24067	6.6
69.24477	1.1
71.01384	3.0
81.33001	0.7
83.01411	0.7
85.02969	0.9
86.94608	0.8
89.02476	2.4
89.36575	0.7
98.20705	1.4
101.02473	2.0
104.81055	0.8
113.02437	0.9
119.03529	1.6
169.62195	0.7
177.13361	0.9
184.40622	0.7
226.06424	0.8
227.06702	1.3
241.08801	1.3
242.09148	3.1
257.21445	0.9
303.21793	5.1
464.26129	4.2
465.27048	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.3
60.01717	0.3
61.98832	100.0
69.83414	0.7
69.83810	0.6
71.01381	2.6
78.93639	0.3
82.89085	0.3
83.01418	0.4
85.02991	0.4
88.31699	0.3
88.49014	0.3
89.02440	2.3
94.99532	0.3
101.02467	1.3
109.03006	0.3
113.02453	1.1
119.03532	1.3
125.02441	1.6
137.02426	0.5
149.04539	0.3
151.00395	0.6
152.66136	0.4
153.01881	0.7
167.03517	0.4
177.01872	0.3
178.99921	0.4
179.05574	0.6
197.04677	0.4
213.07043	0.3
285.04141	0.9
303.05148	1.0
405.21295	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	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15738	1.2
59.01379	16.2
59.65491	1.2
61.98830	100.0
71.01380	2.0
73.02930	1.6
74.79300	1.2
78.95910	2.1
85.02932	1.7
92.05012	1.3
98.20668	5.6
230.47400	1.5
230.49600	1.8
306.73044	1.4
315.17963	1.6
317.07813	1.3
342.06348	1.4
382.26212	1.3
455.04123	1.4
461.16464	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	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03786	2.1
59.01383	70.4
61.98831	100.0
71.01379	9.2
71.04627	5.1
78.95898	3.6
85.02946	4.3
97.41395	3.0
101.02435	2.9
137.47179	2.2
161.04547	3.3
164.88010	2.3
217.04851	2.4
266.54663	2.6
299.75146	2.5
301.03116	2.6
464.09308	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	465.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83749	1.5
54.05639	1.5
57.03442	5.5
59.01380	100.0
59.13420	1.7
60.05160	1.6
61.98830	38.4
69.56047	10.9
71.01390	21.5
71.32251	1.6
72.99327	3.5
73.02936	3.6
75.00882	2.8
78.95907	2.3
81.03475	3.5
83.01392	6.3
85.02965	5.2
87.00848	2.4
89.02451	20.9
93.03454	7.8
95.01391	5.3
97.02947	3.3
98.19967	2.6
99.04527	3.7
101.02454	9.7
102.02786	1.8
105.01930	2.0
107.05015	2.9
109.02936	5.1
109.23805	1.5
111.00896	2.6
111.04501	3.4
113.02468	11.6
113.03216	2.1
115.00311	1.8
119.03474	8.5
119.05016	5.7
121.02939	4.8
123.04543	6.0
124.01694	2.5
125.02451	67.7
126.02827	1.6
130.89424	1.6
133.02968	2.5
133.06668	2.1
137.02420	18.0
139.00388	2.0
139.04042	2.8
143.03519	2.2
147.04510	2.7
149.02446	3.9
149.09694	3.2
151.04050	8.9
151.73631	1.6
152.54025	1.7
155.03468	1.7
161.04570	6.6
163.00363	5.1
164.01146	6.4
165.01917	7.0
167.03532	11.9
167.10776	6.2
168.11307	1.7
171.04562	3.1
173.06133	1.8
175.02466	3.2
177.01921	32.7
179.03534	11.9
179.05606	5.3
185.06042	2.0
189.01906	5.3
190.02690	5.1
191.03583	2.7
193.01451	1.9
197.04550	78.2
198.04868	4.5
209.04552	7.4
211.07613	2.3
215.03642	2.3
215.07100	4.7
227.05432	2.4
246.78281	1.7
255.06616	6.3
259.06094	2.6
283.06140	25.0
284.06360	2.8
285.04230	3.0
285.07599	4.6
301.07132	14.2
303.05075	7.5
303.89908	2.2
313.07120	18.5
315.08533	2.5
331.08209	9.7
343.08167	5.5
377.63510	1.8
403.10416	2.8
405.13782	3.5
405.21399	15.7
406.21567	2.1
421.10950	1.7
465.09943	12.6
465.19891	2.4
466.10474	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	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96669	0.6
54.07227	0.5
54.78516	0.6
57.03444	2.4
59.01379	8.4
61.98825	3.5
71.01384	3.4
71.05016	0.9
73.02935	1.0
75.00868	0.6
81.03460	13.8
83.01392	2.3
84.02163	0.6
85.02946	0.6
89.02437	2.8
93.03451	1.1
95.01355	0.8
95.05040	5.4
97.02948	2.3
98.20608	1.0
99.04516	10.0
101.02444	2.4
109.02959	5.2
111.04491	1.5
113.02467	1.3
119.03526	0.8
121.02940	1.2
123.04514	6.7
124.01718	0.5
125.02444	26.6
126.02798	1.0
133.02959	10.8
134.32491	0.5
135.04549	0.7
137.02434	5.3
139.03973	2.7
143.66586	0.6
145.05043	1.2
149.02437	0.9
151.03999	0.7
161.02420	0.5
161.04591	1.0
163.04025	1.4
164.01155	1.3
165.01976	0.9
167.03491	100.0
168.03859	3.1
177.01947	3.6
179.03502	1.4
191.03494	0.7
191.22003	0.5
192.00740	0.8
193.01401	2.9
194.12247	0.6
197.04546	17.8
205.01399	0.8
207.13907	0.8
209.04552	2.2
235.02467	16.6
236.02811	0.7
253.05040	1.0
265.03522	3.5
269.06665	1.6
271.06198	1.3
287.07785	7.7
291.60022	0.5
303.08719	0.6
327.05139	1.8
345.06137	23.9
346.06503	2.2
355.06631	0.8
375.07184	2.9
383.14307	0.5
405.21359	5.1
433.49973	0.6
465.10205	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.4
59.01379	24.7
59.30527	1.6
61.98817	7.6
65.00309	6.9
65.03955	1.7
68.99822	3.2
69.03448	1.7
71.01382	9.4
71.05004	1.9
78.95894	2.2
79.01870	1.6
81.03457	25.5
83.01381	10.2
85.02982	2.1
89.02425	8.8
93.03461	14.6
95.01398	3.9
95.05032	8.3
97.02952	13.0
99.00893	3.8
99.04514	14.4
101.02439	4.1
105.03448	2.4
107.01362	6.2
107.05035	3.8
108.02150	3.1
109.02946	8.9
111.00837	2.0
111.04510	4.7
112.05349	1.5
113.02456	3.4
119.03511	5.8
121.02962	12.7
123.00916	2.4
123.04517	17.5
125.02451	84.0
126.02728	1.8
128.89032	1.9
132.02214	1.8
133.02940	5.2
135.04532	4.4
136.01608	1.6
137.01456	2.3
137.02452	29.7
139.03979	4.0
149.02412	13.7
149.09669	4.1
150.03152	2.5
151.00371	14.2
151.04016	21.0
153.01945	13.1
153.05518	1.6
153.09227	2.3
155.03529	2.9
161.02429	2.9
161.04485	2.6
163.00375	12.9
163.03963	4.2
164.01143	4.9
165.01924	18.2
166.02670	2.2
167.03491	100.0
167.10791	10.8
168.03818	3.0
168.46091	2.0
177.01939	24.5
179.03467	15.2
179.05592	2.9
180.56956	1.9
181.01369	2.8
183.02875	2.5
191.03511	2.9
193.01422	38.5
194.01797	3.5
195.02985	30.1
196.03299	1.5
197.04550	24.2
205.01387	27.9
206.01941	3.6
207.02979	21.1
208.03220	2.2
211.02406	9.2
219.02948	3.5
221.00977	3.3
223.02473	61.8
224.02837	2.5
225.04041	21.9
225.15013	2.4
229.19038	2.4
235.02513	9.8
237.04025	6.7
251.01930	8.7
253.03557	20.5
255.05070	7.5
269.06592	2.6
271.09677	1.9
281.02869	2.7
287.07687	4.9
299.05524	3.2
303.05109	3.3
325.05536	3.1
327.04922	3.5
331.91119	1.9
345.06116	95.7
346.06375	9.2
357.06033	5.5
375.07184	31.0
405.21289	8.4
447.09357	4.4
465.09976	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	465.1036
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03445	14.5
59.01380	8.5
61.98830	4.3
63.02393	0.8
65.00331	3.0
69.51974	0.7
71.01379	3.5
71.56823	1.2
73.32294	0.8
81.03461	0.8
83.01385	4.6
85.02974	1.6
87.00872	1.1
89.02477	2.1
93.03538	0.8
95.01391	4.1
97.21647	0.9
99.00886	0.7
99.04528	2.9
101.02429	3.4
107.01390	3.0
109.02945	3.3
111.00897	2.5
113.02436	1.0
121.02976	1.5
123.00861	1.9
123.04538	2.5
124.01670	6.2
125.02446	100.0
126.02779	3.2
133.02939	1.3
135.04543	0.7
137.02440	3.2
139.00385	1.4
139.04005	1.6
149.02435	4.4
150.03200	2.7
151.00349	9.4
151.03999	5.7
152.01152	14.7
153.01947	6.2
160.01678	1.6
161.02419	1.1
161.06091	1.7
173.06079	1.2
174.03247	2.4
175.03998	8.6
176.01082	1.3
177.01929	5.5
178.99870	7.6
188.04724	1.0
189.05527	5.3
191.03525	2.1
193.05013	3.7
199.04005	1.9
203.07329	0.8
211.04153	0.9
213.05264	0.9
215.07108	2.3
216.04150	1.0
217.05026	8.8
218.05290	1.0
227.03459	1.0
229.05090	1.0
231.06599	2.4
241.05023	2.3
257.04562	1.8
258.05139	0.9
259.06097	16.1
260.06412	1.0
267.02838	0.8
274.04828	1.3
275.05609	9.9
276.05768	1.0
284.03259	1.2
285.04016	26.9
286.04382	2.5
303.05075	10.9
380.97809	0.9
405.10593	0.9
406.81332	0.9
421.11337	2.9
423.18820	0.9
437.10864	17.4
438.11258	2.5
447.09189	8.7
452.43832	0.9
465.10345	76.5
466.10748	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	465.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.9
60.99305	15.5
61.98822	22.6
67.26077	1.6
70.50989	5.8
71.01388	3.0
72.00903	2.8
74.41451	2.0
78.44026	1.6
78.95898	2.7
81.03406	2.1
87.00858	2.5
88.00368	2.1
88.98809	100.0
89.02441	58.4
91.30149	1.7
92.41745	2.2
96.96004	2.3
103.04019	2.5
103.92028	2.4
111.00794	1.7
115.00350	1.7
122.89408	5.8
123.04522	2.7
125.02456	9.9
137.02412	2.7
147.04526	12.6
148.91005	19.2
149.02396	2.2
150.03262	2.2
151.03902	2.2
164.07156	22.0
165.02042	2.4
165.05528	3.0
167.03487	9.1
175.02515	1.9
176.90504	3.6
177.01898	4.0
179.03642	2.2
195.03014	2.3
195.06625	7.5
197.04503	4.6
205.01434	3.2
207.02968	2.1
223.02521	4.0
225.04004	2.2
248.92523	2.0
250.94057	8.2
270.94705	2.7
284.96094	3.7
285.03845	2.5
327.10965	2.6
345.06146	7.8
375.06876	2.6
427.65747	2.2
447.01785	2.5
465.02307	7.9
465.09982	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	465.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	32.7
61.98831	100.0
71.01374	9.8
71.55627	4.9
73.14851	3.0
81.03464	4.9
83.01395	3.8
85.02982	4.8
87.00856	4.1
88.98804	19.2
89.02459	17.5
93.03493	4.5
97.02957	5.9
99.04534	4.5
101.02418	5.6
109.02962	7.2
113.02420	7.8
119.03543	4.7
120.71016	3.3
121.02952	7.2
123.04545	5.3
125.02447	36.9
134.04681	3.8
137.02467	10.1
139.04018	5.2
149.02477	7.4
151.03975	6.6
153.01918	10.1
155.03438	4.5
163.00414	7.0
164.07166	6.1
165.01938	19.3
167.03531	26.1
177.01923	14.9
178.02728	3.5
179.03535	31.5
180.04285	15.4
193.01457	11.9
194.05852	10.5
195.03001	11.2
195.06650	51.0
197.04556	13.6
205.01422	5.9
223.02472	15.1
225.03972	5.0
225.07555	16.1
243.07767	4.6
275.05893	4.1
276.65491	3.7
285.04016	3.6
299.05515	4.6
325.82703	3.4
345.06161	23.9
357.11862	11.9
368.70694	3.4
375.07150	10.2
442.35989	3.8
465.10333	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	465.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13861	3.6
59.01382	38.8
61.98828	7.9
67.01879	5.1
69.03465	4.9
69.26279	42.3
71.01385	41.6
72.99297	10.2
83.01394	15.0
85.02946	46.9
87.00877	96.2
95.82096	4.6
96.95992	4.5
97.06587	10.0
112.98822	5.8
113.02457	6.6
115.00377	96.8
123.04501	7.1
125.09694	10.0
129.01886	8.8
144.45230	4.9
151.44159	5.0
157.01445	51.5
163.11342	6.5
175.02469	51.1
185.11804	8.3
191.14301	10.2
207.10181	7.3
209.11839	46.3
225.11362	4.8
235.14432	5.1
245.19084	23.5
253.68169	5.0
289.18069	57.1
297.23322	6.8
307.19131	43.4
308.19492	5.6
332.59409	4.8
342.42410	5.1
407.79169	4.8
442.58603	6.0
465.21365	100.0
466.21521	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	465.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.0
58.00585	1.0
59.01382	100.0
60.70597	0.9
61.98846	4.5
69.43777	6.7
71.01382	21.1
73.02939	1.4
83.01373	1.3
85.02965	4.5
87.00850	1.3
89.02446	27.6
95.01383	1.6
95.43792	0.8
98.20623	1.2
101.02456	12.4
107.27396	1.0
107.73505	0.9
112.05283	1.2
113.02447	8.4
119.03506	13.3
125.02447	2.9
134.07338	2.0
137.09732	1.9
143.03519	2.6
149.04500	1.0
149.09732	17.9
151.59630	0.9
153.09225	5.3
161.04561	8.3
164.97441	0.8
167.03468	1.7
167.10776	34.1
168.11124	1.4
179.05609	10.4
197.04575	1.6
225.14909	5.6
228.55446	1.0
243.16014	6.0
285.04117	1.6
375.07089	1.4
405.21323	20.6
406.21506	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.0
58.00594	1.4
59.01380	100.0
60.01711	1.8
60.45868	1.1
61.98830	92.2
71.01389	37.6
71.56322	1.8
72.99310	3.0
73.02937	3.2
75.00873	3.3
78.95914	1.8
81.03433	1.4
82.13226	1.2
83.01389	4.9
85.02947	8.7
87.00868	2.9
88.71375	1.1
89.02447	51.4
92.38161	1.1
93.38492	1.0
95.01385	2.7
97.02966	1.8
99.04544	1.5
101.02437	26.1
107.01401	2.1
109.02915	2.5
113.02444	18.2
113.31266	1.2
115.00365	1.3
119.03502	22.2
123.04521	3.7
125.02452	41.5
126.02767	1.8
131.03468	2.4
137.02457	4.1
139.04007	1.4
140.97934	1.4
143.03482	6.0
149.02455	4.9
149.04550	2.2
149.09734	5.5
151.00356	11.8
151.03975	1.6
152.01126	2.0
153.01949	10.2
161.02364	2.2
161.04564	5.9
163.04022	1.7
163.11266	1.7
165.01904	1.4
167.03520	6.9
167.10779	11.5
174.83574	1.3
175.00356	1.9
175.02591	2.7
175.04018	4.7
177.01866	7.5
178.99843	5.9
179.05632	13.1
181.01447	5.1
181.12440	2.1
189.05611	1.6
195.02919	1.2
197.04556	3.5
199.04036	2.0
215.03496	1.5
217.05020	2.7
225.14845	2.1
241.05031	2.0
243.16045	3.9
244.03798	1.4
247.57515	1.0
259.06009	2.8
275.05551	8.8
285.04031	21.7
286.04373	2.2
299.05655	2.0
303.05099	28.9
304.05347	1.6
326.05579	1.2
341.05127	2.4
343.06784	3.0
345.06039	1.6
345.93600	1.1
375.07230	1.3
405.21259	72.5
406.21591	4.7
437.11349	1.2
437.23697	1.2
447.09262	2.3
461.83453	1.5
465.09973	3.0
465.23648	2.0
485.25201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
57.03447	2.7
57.56852	0.5
58.00601	0.6
59.01381	25.6
59.57513	0.5
61.98829	4.4
67.42686	0.5
71.00999	1.0
71.01381	14.9
72.99306	1.9
73.02940	1.8
83.01385	2.0
85.02952	6.4
85.06606	1.0
87.00858	1.1
89.02448	9.6
95.01382	2.0
101.02443	11.4
111.00887	0.9
113.02452	5.2
115.07621	0.9
119.03518	3.9
131.03529	0.6
134.91420	0.4
139.00375	0.8
141.12831	0.6
157.06454	0.4
161.04582	1.0
169.12340	1.2
179.05548	0.6
185.15691	0.6
191.01970	1.2
195.17540	5.1
196.17885	0.5
209.18936	0.5
211.04016	0.8
237.18671	0.6
239.20201	1.0
255.19661	1.8
257.21198	5.2
271.22726	0.6
277.16730	0.6
285.20667	1.0
286.40921	0.5
287.22189	0.7
299.22345	1.1
302.03091	0.6
303.21774	30.6
304.22137	1.9
345.22751	0.9
354.82434	0.5
423.22232	1.5
465.27051	100.0
466.27429	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	465.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
57.03435	1.1
58.00589	1.0
59.01383	24.0
61.98835	4.5
65.94143	0.5
71.01002	0.9
71.01382	15.2
71.05029	1.2
72.99310	1.7
73.02944	1.5
77.44344	0.6
83.01390	1.8
85.02959	3.7
87.00866	1.7
88.98799	0.5
89.02454	11.7
95.01414	1.3
97.03030	0.7
98.20639	1.4
99.08138	1.0
101.02452	9.0
113.02466	5.1
119.03529	4.5
129.09187	1.2
155.10759	0.9
157.06592	8.7
161.04591	0.5
163.04024	1.6
165.86533	0.6
169.12318	1.6
171.13985	0.6
178.06367	1.9
181.15996	4.6
183.13837	0.6
191.01852	0.7
193.08659	1.5
195.17532	1.2
198.93752	0.6
209.19072	0.6
230.94978	0.6
237.18706	0.7
239.20232	0.7
255.19688	1.6
257.21246	4.8
285.20700	1.1
287.22281	1.3
299.22253	1.5
303.21771	32.5
304.22067	2.8
345.22614	0.7
419.67078	0.6
465.27036	100.0
466.27390	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59677	2.4
59.01371	3.5
61.98815	5.1
66.06097	3.0
72.89087	3.0
83.12538	3.3
84.79491	2.7
108.02157	8.4
121.02893	2.9
122.03771	4.0
123.04526	100.0
124.04845	3.3
150.03220	18.2
169.59102	2.8
175.07646	13.6
178.06360	4.0
189.09155	3.1
203.07100	6.3
218.09460	21.2
240.67117	3.0
289.06204	3.2
423.29138	4.4
437.30716	5.0
465.30151	41.5
466.30109	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	466.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.5
59.54753	0.7
61.98832	100.0
65.64973	0.7
71.01392	2.7
71.56705	0.7
75.83083	0.8
83.01369	1.2
87.21753	0.7
89.02460	1.1
92.51600	1.0
95.25343	0.6
99.95004	0.7
101.02455	1.5
101.31045	0.9
112.43290	0.8
119.05013	0.8
127.00418	0.8
131.95876	0.7
191.34746	0.7
303.21793	1.5
304.22076	1.7
317.58624	0.8
403.19690	0.9
465.27081	3.0
466.27466	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	466.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.4
61.48841	0.6
61.69151	0.6
61.98833	100.0
71.01397	2.0
71.56226	0.6
73.02979	1.1
85.02949	1.1
89.02451	1.1
101.02462	1.4
119.34577	0.6
153.05548	1.0
165.01956	1.0
168.04163	0.8
172.02304	0.7
178.69235	0.7
195.06641	0.8
208.03871	0.8
223.06210	1.2
294.86554	0.7
339.54630	0.8
381.17761	1.8
467.15479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10918	0.4
59.01382	7.3
60.01699	0.6
61.01776	0.5
61.98832	100.0
69.57140	3.0
71.01367	3.5
77.77569	0.4
83.01382	0.6
85.02954	1.6
89.02456	2.0
97.34479	0.4
99.00878	0.6
99.04525	0.5
100.20627	0.4
101.02441	2.5
113.02466	1.9
117.33575	0.5
119.03551	0.9
125.02475	1.4
145.05106	0.6
161.04602	0.8
167.03529	1.4
168.03891	1.0
269.10468	0.6
340.26178	0.5
406.21896	1.9
431.15512	3.8
467.12421	1.0
467.21167	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2935
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
61.98848	0.6
62.96404	0.4
71.03268	0.8
73.88314	0.3
78.95905	18.2
83.66105	0.3
105.76026	0.4
122.00137	0.5
132.32896	0.3
133.93251	0.4
136.05321	2.6
140.01189	5.1
149.06099	3.9
152.99593	1.5
155.76282	0.4
162.06871	1.3
171.10281	1.3
196.03809	8.7
202.09950	0.9
203.10597	0.4
214.04877	1.6
218.72124	0.4
269.24854	100.0
270.25189	9.4
352.24277	0.6
367.26337	2.4
449.30896	0.8
466.29388	24.4
467.29974	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	467.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.3
61.08715	0.6
69.36160	4.0
69.36572	1.6
73.03669	0.8
79.63631	0.6
84.37978	0.6
84.47077	0.8
86.62857	0.8
87.85747	0.7
92.27058	0.6
98.19897	1.6
102.47555	0.6
102.94631	0.6
128.73849	0.7
138.87585	0.7
143.91293	0.8
148.12529	0.8
160.01155	0.7
194.94691	0.7
195.04265	0.7
197.06148	1.0
300.07800	1.8
301.08826	1.1
317.08093	1.4
318.08829	1.6
328.07382	1.0
329.07977	1.0
332.07138	0.8
333.11334	1.8
342.08841	1.4
344.10403	1.5
345.07593	1.0
346.08438	3.4
357.11279	4.3
361.10712	1.5
391.13361	4.1
409.14575	4.6
418.12042	3.6
419.12936	2.2
420.13632	6.6
421.13937	1.2
433.14426	6.5
434.15259	13.4
435.15933	9.5
437.13876	1.2
445.86322	0.9
449.17358	3.0
450.17883	1.0
452.16257	36.4
453.16602	7.0
467.18613	100.0
468.18997	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	468.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34385	0.4
59.01377	4.1
61.98829	100.0
63.99263	0.3
67.81557	0.4
70.72215	1.1
71.01388	1.0
75.00885	0.4
81.49528	0.3
81.53979	0.4
83.01415	0.4
84.18974	0.3
96.96018	0.4
101.02460	0.5
113.02506	0.4
119.07525	0.4
141.83257	0.4
148.55241	0.4
161.04619	0.6
164.07166	0.6
217.70476	0.3
224.48041	0.3
271.06192	0.5
392.09488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18518	0.3
61.98832	100.0
69.33887	3.2
69.34205	0.3
74.20156	0.3
98.19901	0.5
99.74982	0.4
348.57632	0.3
395.48871	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
57.03463	0.7
59.01377	2.5
61.98832	100.0
65.51273	0.3
69.99721	0.3
71.01384	1.6
71.55981	0.4
72.99334	0.5
73.02964	0.7
75.00896	0.4
85.02965	0.9
87.00877	0.4
89.02457	1.0
99.00910	0.6
101.02439	1.4
108.02195	0.3
113.02447	1.2
116.03835	0.3
119.03535	0.3
121.02962	0.5
123.04553	0.5
126.90501	2.5
134.03749	0.5
137.02458	0.7
148.05301	3.8
149.06137	0.5
159.04556	1.1
161.02368	0.4
162.03239	0.4
163.07671	5.5
163.08975	0.5
164.01167	0.5
165.01932	4.0
174.03343	0.5
179.03450	0.3
180.04227	2.2
187.04013	3.4
188.04828	0.4
195.06621	4.5
201.05617	0.7
202.06273	0.6
203.07130	0.6
210.05432	0.5
217.05136	0.5
217.08533	0.4
219.10356	0.3
225.07719	1.3
227.07037	0.3
229.05089	0.9
230.05930	0.9
230.65909	0.3
245.08130	2.5
263.09250	3.6
271.06140	0.4
293.54794	0.3
306.94891	0.9
307.08267	0.5
307.66113	0.3
421.15225	0.6
425.14508	2.2
469.13528	0.7
469.23077	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44840	0.5
53.12423	0.5
56.04221	0.4
59.01366	2.5
61.98831	100.0
69.23438	4.8
71.01392	1.7
73.02943	0.7
82.37636	0.5
85.02978	1.1
86.02874	0.5
89.02441	0.6
101.02481	1.2
106.68787	0.5
113.02438	0.6
253.40160	0.6
271.06116	0.7
317.98026	0.6
409.21271	1.0
418.77374	0.6
468.31454	0.6
469.15231	2.2
484.75375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84919	0.4
59.01385	1.2
61.98831	100.0
69.62793	1.1
69.63202	1.9
71.01389	0.5
85.35411	0.4
87.00883	0.6
124.83361	0.4
165.02020	1.2
179.03531	0.5
180.04327	0.7
195.06705	1.3
225.07716	0.6
327.71323	0.5
396.48532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86221	0.5
59.01389	0.8
61.98831	100.0
69.89008	1.9
71.01383	0.4
74.34939	0.4
87.00902	0.6
89.02464	0.4
90.23025	0.4
90.92247	0.4
105.46496	0.3
109.02930	0.4
119.03599	0.3
224.72098	0.4
232.55479	0.4
247.06151	0.6
410.34109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.0
58.43106	2.2
59.01384	13.5
60.44084	2.7
68.99825	8.0
71.01387	24.2
71.55140	5.2
72.99301	12.2
73.02934	2.9
75.00877	7.5
75.02546	2.4
76.53374	2.6
83.01392	16.0
85.01024	3.2
85.02959	10.4
87.00860	8.5
88.98812	6.0
99.00883	27.6
99.02599	3.1
100.98839	2.7
101.02455	2.9
103.00417	3.0
109.02944	6.1
111.00871	31.1
112.98817	75.2
114.98472	5.9
115.00383	11.1
115.02053	3.2
117.01935	7.0
126.90517	53.1
127.00434	2.6
127.40926	2.4
128.03528	24.6
129.01941	14.5
130.92220	2.9
142.99826	19.6
143.01563	5.4
143.03516	4.3
145.01431	68.3
146.01823	3.0
153.00435	5.0
154.99831	2.8
157.01442	4.3
171.01099	12.7
173.00967	15.4
175.02490	3.6
187.02481	3.1
205.03479	7.1
231.03217	6.8
234.53909	2.7
263.05759	49.6
333.06381	3.1
365.43774	3.0
391.06851	3.4
406.83972	2.7
409.08023	3.8
433.13318	4.3
451.09241	8.5
469.10092	100.0
470.10629	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
57.03453	8.2
59.01381	16.7
61.98830	5.3
68.99820	8.8
69.85628	6.5
69.86026	6.9
71.01380	37.7
71.90583	2.6
72.99307	14.3
73.02950	6.4
75.00875	8.0
75.02580	3.5
83.01403	21.1
84.99306	4.9
85.01025	6.7
85.02948	14.2
86.35731	2.6
87.00886	7.2
88.98863	3.2
89.02455	5.5
89.52859	2.5
95.83237	2.9
99.00884	34.3
99.64988	3.0
101.02452	7.5
105.51725	2.7
111.00875	32.2
112.98814	100.0
112.99608	5.2
113.02443	4.0
114.98467	3.5
115.00375	14.2
115.02111	4.2
117.01919	9.4
128.03571	8.0
129.01947	13.3
142.99844	21.1
143.01459	5.5
145.01430	84.5
146.01768	5.9
157.01427	8.3
157.77975	2.8
166.75946	3.0
171.01031	13.1
173.00914	21.0
187.02457	4.9
203.47697	2.8
205.03539	6.9
231.03220	9.1
237.38766	2.7
263.05780	59.8
307.06732	3.2
312.75809	2.8
451.08932	3.8
469.10037	89.6
470.10431	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	469.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96770	1.0
59.01379	3.4
71.01385	1.9
99.00856	1.5
104.16652	0.9
116.95532	0.9
117.07098	6.9
118.03743	0.9
140.90332	1.0
161.06087	11.3
205.05081	6.4
213.05544	9.8
241.05057	25.8
242.05380	2.4
256.07407	64.6
257.07733	6.0
271.09747	100.0
272.10114	7.4
433.15063	18.6
434.15231	1.4
457.76862	1.0
469.13345	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	469.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.2
59.54415	0.4
61.98811	0.7
67.64478	0.4
69.28518	3.7
71.01371	3.6
72.57242	0.5
73.02941	1.9
83.01398	0.9
85.02946	3.6
89.02392	0.5
91.05539	6.1
98.19880	1.0
99.00849	0.7
101.02456	1.5
113.02441	4.3
115.05595	1.2
117.07106	50.9
118.06184	0.5
118.07437	3.0
122.06113	1.0
123.15234	0.5
125.02451	1.0
133.06595	1.0
143.03539	2.4
152.07179	2.1
161.06079	100.0
162.06422	6.1
187.04013	2.2
192.50716	0.6
203.48193	0.6
205.05049	53.4
206.03664	0.6
206.05324	3.1
216.10341	0.6
242.37578	0.5
260.12955	0.7
383.13263	1.0
399.02328	0.5
407.23880	0.6
469.13519	7.1
469.19913	3.1
470.13657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98217	0.4
59.01381	12.3
61.98811	0.6
71.01381	3.9
71.55360	0.8
72.42659	0.4
73.02940	1.5
81.03455	0.5
83.01383	1.0
85.02950	3.7
87.00888	0.5
91.05530	5.8
95.01386	1.0
97.02994	0.7
99.00876	0.7
101.02451	0.6
113.02454	5.0
115.05523	1.5
117.07107	52.6
118.07446	2.3
119.45329	0.5
124.37017	0.5
125.02448	1.1
133.06612	2.1
135.04507	0.7
143.03488	2.4
161.06082	100.0
162.06438	5.7
162.65852	0.4
179.07147	0.9
187.04002	2.8
205.05055	54.0
206.05383	3.3
223.06311	0.6
286.86728	0.5
321.31561	0.5
323.29843	0.4
383.13458	0.6
384.13953	0.5
469.13449	7.8
470.13461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.0
61.98819	1.2
65.02851	0.6
69.28236	2.5
69.28664	2.4
71.01381	4.1
72.47330	0.5
73.02936	2.1
83.01411	0.8
85.02953	4.1
91.05524	5.3
95.01375	0.6
97.02931	0.8
98.20683	1.2
101.02431	1.4
111.42168	0.5
113.02431	4.8
115.05545	1.4
117.07104	56.2
118.07423	2.3
122.06156	0.9
125.02459	1.4
127.79378	0.4
133.06593	2.3
135.04556	1.4
143.03520	3.1
152.07217	2.6
161.06078	100.0
161.38342	0.5
162.06409	5.6
163.03967	0.8
167.73274	0.6
186.05377	0.6
187.04001	2.4
201.97673	0.5
205.05045	54.4
206.05435	3.3
216.10176	0.9
383.13443	0.9
469.13480	8.5
469.19894	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	469.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00033	0.6
59.01377	12.3
59.76139	0.7
61.98829	5.8
69.22248	5.0
69.22671	1.5
71.01382	2.4
73.02953	1.6
85.02948	4.1
87.00880	1.2
91.05518	5.8
98.20679	1.6
101.02415	1.1
113.02502	3.9
115.05511	1.5
117.07106	53.7
118.07435	2.9
125.02422	1.1
133.06630	1.8
143.03537	1.3
145.21696	0.8
161.06076	100.0
162.06418	5.2
170.80504	0.7
187.03964	1.4
205.05054	52.9
206.05327	3.7
383.13235	1.3
400.77493	0.9
405.42670	0.7
469.13519	7.0
469.23367	1.0
469.33740	0.8
470.13943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01376	17.3
61.98821	2.0
62.33137	0.3
69.03453	1.0
71.01382	5.2
71.56617	0.3
73.02944	7.4
74.03271	0.3
75.00866	0.5
81.03471	0.4
83.01379	1.9
85.02956	1.4
87.00868	0.6
89.02461	0.4
91.05528	8.9
92.05865	0.4
93.03464	0.3
96.15653	0.3
97.02951	0.6
99.00861	0.4
101.02441	6.3
101.83846	0.3
113.02451	1.7
115.05544	0.8
117.07104	57.1
118.07443	2.7
125.02423	1.0
131.03459	0.3
133.06593	2.2
135.04533	0.7
143.03499	0.9
161.06070	100.0
162.06401	5.5
179.07050	0.6
187.03996	1.3
203.05603	1.3
205.05043	68.2
206.05392	3.7
221.06677	1.0
263.07816	1.8
295.00858	0.3
425.14359	1.5
469.13498	15.7
470.13858	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	469.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89341	0.8
59.01375	11.9
71.01387	2.1
73.02949	1.3
80.66988	0.8
83.01378	1.0
85.02943	2.5
91.05535	10.1
92.46081	0.7
112.95866	0.8
113.02428	3.3
117.07111	50.0
118.07423	3.2
143.03456	1.8
154.02382	0.8
161.06078	100.0
162.06390	5.5
178.39067	0.7
205.05051	58.3
206.05330	2.8
342.93616	1.0
469.13501	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	469.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.3
61.98821	1.9
67.54929	0.3
69.03484	1.0
69.65253	0.8
69.65662	1.7
71.01382	5.8
73.02940	6.3
80.56154	0.3
81.03443	0.7
83.01367	1.2
85.02933	0.9
85.33291	0.3
87.00910	0.5
89.02441	0.4
91.05530	10.6
92.05826	0.4
97.02969	0.6
99.00858	0.7
101.02434	2.7
112.09724	0.4
113.02456	1.3
115.05557	1.0
117.07105	53.4
118.07445	2.6
125.02465	0.6
131.17021	0.3
133.06583	1.5
135.04523	0.5
144.33148	0.4
161.06078	100.0
162.06418	5.7
179.07202	0.8
187.03963	1.1
193.05051	0.5
203.05508	0.5
205.05045	63.8
206.05353	4.2
206.07127	0.4
232.82675	0.4
247.13420	0.7
288.41800	0.4
305.60193	0.4
383.13129	0.5
425.14325	1.2
469.13510	15.4
470.13882	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.7
59.01381	11.7
61.75440	0.5
61.98825	1.6
64.80306	0.5
71.01389	3.2
73.02952	5.4
76.31586	0.5
83.01372	0.9
84.93159	0.5
85.02945	1.6
87.53061	0.6
88.75214	0.5
91.05529	8.1
99.00906	0.7
101.02441	2.7
105.21167	0.5
112.47423	0.5
113.02446	2.3
115.05534	1.7
117.07110	50.2
118.07461	2.5
123.12634	0.5
125.02457	0.9
133.06610	1.2
135.04535	0.7
143.03494	0.9
161.06081	100.0
162.06425	5.4
165.91321	0.5
179.07111	0.6
187.03954	5.5
187.05295	0.5
205.05048	55.5
206.05385	3.0
213.05524	1.0
241.05072	1.6
254.81412	0.6
256.07407	4.6
271.09802	5.1
299.95258	0.5
334.93317	0.5
383.13409	1.5
384.81778	0.6
394.22354	0.5
433.14987	2.5
469.13492	7.8
470.14053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
57.03447	0.6
59.01378	13.3
59.31152	0.2
61.98829	1.1
62.93789	0.2
68.99822	0.4
69.03468	0.3
71.01378	3.4
71.56239	0.3
73.02949	1.9
73.43532	0.2
75.28623	0.2
81.03442	0.3
81.31262	0.2
83.01403	0.5
85.02941	3.5
87.00880	0.4
88.72438	0.2
89.02447	0.3
91.05524	5.6
91.06044	0.4
95.01397	0.5
97.02943	0.5
99.00875	0.8
101.02434	1.4
103.46430	0.2
113.02450	4.1
115.05544	1.0
117.07104	56.3
118.07417	2.8
125.02433	0.8
129.85483	0.2
133.06613	1.5
135.04550	0.6
143.03484	1.6
161.06082	100.0
162.06415	5.4
179.07207	0.4
187.04027	1.2
205.05055	55.7
206.05388	3.1
383.13715	1.3
446.53906	0.3
469.13470	7.7
470.13788	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	23.8
61.98832	34.3
70.20628	6.5
71.01383	16.1
73.02938	5.6
78.74409	1.6
78.95872	1.6
83.27105	1.9
85.02934	7.5
87.00867	1.8
89.02450	3.9
91.05511	5.5
95.94732	1.8
99.00876	3.5
101.02428	7.5
113.02460	10.9
115.05511	2.3
117.07103	45.3
125.02399	5.1
133.06557	3.6
143.03474	7.8
161.06076	100.0
162.06380	4.2
187.03986	7.8
205.05051	53.0
206.05470	2.1
223.06187	4.1
247.13217	1.8
254.05612	2.6
266.99274	1.9
269.08099	6.2
311.63425	2.1
469.13437	13.3
470.13510	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	469.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27092	0.5
57.38315	0.5
59.01379	13.5
61.98838	2.5
66.17793	0.5
69.19272	2.3
69.19690	3.4
71.01379	3.6
73.02940	5.4
83.01386	1.5
83.05033	0.7
85.02946	2.5
87.12082	0.6
91.05530	8.1
97.02954	0.6
98.19907	1.1
99.00916	0.9
101.02436	3.0
101.59492	0.5
113.02436	3.9
113.99607	1.0
115.05529	1.5
115.92073	0.6
117.07102	51.7
118.07459	2.1
123.00719	0.5
125.02486	0.8
125.65742	0.5
133.06589	1.4
135.04601	0.6
136.01648	0.9
137.02414	0.8
143.03487	2.4
151.04033	0.9
156.86102	0.5
158.09975	0.5
160.95616	2.1
161.06075	100.0
162.06413	4.7
187.03981	2.1
205.05045	51.8
206.05379	3.1
270.05276	1.3
284.06848	1.3
285.07669	1.9
299.09323	1.5
342.57523	0.6
383.13361	0.8
391.08652	0.6
406.10687	1.1
421.13004	1.8
469.14313	12.8
469.21835	1.1
469.30576	0.5
470.14551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.2
57.03459	0.9
59.01379	100.0
60.01714	1.1
61.98832	3.3
65.63660	0.7
71.01379	15.4
71.02702	1.3
72.99321	0.9
73.02934	4.9
83.01397	2.0
85.02944	6.4
89.02451	1.9
95.01353	0.9
96.33527	0.6
96.96017	1.4
99.00906	2.6
101.02442	11.7
109.02957	1.7
113.02447	6.3
123.04576	0.9
125.02451	1.1
126.90446	0.8
133.05101	0.9
137.02477	0.9
143.03514	1.6
159.03008	2.2
161.04556	16.5
165.01894	1.7
165.31232	0.7
187.03928	0.9
195.06592	1.4
201.10318	0.7
225.07578	0.8
235.08342	1.5
253.05128	0.8
271.06125	1.0
309.33392	0.7
312.32822	0.6
383.74710	0.6
409.17233	6.5
452.42102	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27590	2.2
56.64143	2.3
59.01381	19.1
61.98834	100.0
62.67959	2.0
71.01386	16.0
71.56612	3.6
87.00914	2.4
87.87402	2.5
89.02455	14.5
101.02446	8.5
107.07204	2.1
113.02457	6.9
113.99579	11.2
115.00365	3.3
119.03491	6.6
120.07999	2.3
131.64145	2.2
154.08678	2.5
179.05586	2.7
202.83296	2.9
406.13470	3.2
469.21979	33.7
470.22171	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	469.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	7.5
60.48812	5.7
61.98808	8.9
62.71027	7.1
70.67015	5.4
71.01378	6.8
71.55566	13.0
72.99316	27.9
75.00869	18.3
78.81217	5.1
80.01218	5.2
80.60181	5.0
85.03002	5.5
87.00877	11.9
99.00851	6.6
111.00862	6.8
112.62724	7.4
112.98837	5.9
115.00380	8.0
127.11565	6.5
135.03001	19.9
142.99881	18.3
156.00676	7.8
161.81775	5.3
165.12880	7.2
173.00906	9.1
174.01701	100.0
175.02435	11.2
181.16008	14.0
205.74973	5.8
225.15002	24.1
242.17638	86.1
279.23380	8.2
295.22757	18.5
307.22754	25.0
329.21088	10.6
333.20685	25.6
347.22269	14.8
351.21857	31.4
373.20193	13.6
435.61823	6.9
451.23221	15.4
453.31744	6.7
469.24353	11.1
469.32834	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	469.2591
Annotation	Blazeispirol V
Peak:m/z	Relative Intensity
58.44620	1.0
69.56670	1.0
69.63646	1.4
69.64053	4.7
76.87789	1.1
78.95901	3.7
98.20607	2.1
105.03452	1.7
117.03495	1.3
132.02170	9.6
133.02971	10.6
134.03745	32.1
134.04723	2.0
135.04536	14.7
137.02434	3.5
139.40813	1.1
145.85773	1.0
148.05305	5.9
149.06125	2.3
152.99652	1.4
154.40498	1.0
160.01663	49.2
161.02429	5.0
167.01129	2.3
175.03995	100.0
176.04300	5.5
178.02658	2.2
179.03468	7.5
193.03337	1.9
193.05051	20.7
195.00566	1.0
255.23308	13.5
257.85388	1.1
275.20193	1.6
285.11185	1.1
293.21194	5.4
336.19843	1.2
420.66562	1.2
437.23254	2.2
451.24918	3.3
469.26035	38.8
469.33084	4.3
470.26358	5.8
470.33057	1.2
483.89929	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26361	0.3
52.96147	0.3
59.01385	1.2
61.98832	100.0
70.20972	0.6
70.21337	0.6
71.10740	0.3
75.51904	0.3
81.03483	1.2
101.02464	0.3
108.45026	0.3
118.35951	0.3
121.03004	0.3
123.04527	6.9
123.05361	0.4
124.01653	0.4
125.02463	1.3
149.99632	0.8
151.04132	0.4
161.06255	0.5
163.04106	0.3
168.00670	1.0
169.01424	0.4
175.02487	0.4
245.08183	9.8
246.08617	1.0
315.92471	0.4
331.18536	0.3
407.13464	3.6
471.11389	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	471.1505
Annotation	Sibirioside A
Peak:m/z	Relative Intensity
50.46688	0.5
55.01865	0.9
57.03437	1.1
58.00587	1.1
59.01382	25.2
61.98830	20.7
68.99818	0.5
69.52837	3.0
70.64874	0.4
71.01382	14.7
72.99325	0.8
73.02946	3.1
74.94049	0.5
75.10870	0.5
83.01388	4.0
83.68274	0.4
85.02948	4.1
87.00883	14.0
88.63573	0.6
89.02439	9.3
95.01395	3.1
97.02975	1.0
99.00874	1.2
101.02442	9.4
103.04027	0.7
103.05538	2.3
111.00913	0.8
113.02454	10.1
115.04036	0.7
115.05544	1.0
119.03516	3.0
119.05004	2.1
125.02438	1.6
128.03517	1.2
131.03529	1.4
131.05042	1.9
133.06621	1.5
139.00375	0.8
141.01938	1.1
143.03470	3.1
145.06532	0.7
147.04524	100.0
148.04849	4.2
159.03020	0.9
161.04582	4.4
161.06090	17.4
162.06407	1.1
163.04042	0.7
163.06168	1.4
173.06117	0.5
179.05615	2.3
189.05560	6.2
191.59872	0.5
205.07198	1.4
220.66191	0.6
233.85043	0.5
241.12013	0.9
247.08290	0.7
283.11789	2.3
323.09760	4.9
323.17029	0.6
324.10086	0.8
429.17639	8.4
470.32562	0.7
471.15305	1.9
471.22839	0.5
471.33917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17329	0.7
55.01875	0.8
57.03449	1.9
58.00583	1.7
59.01382	89.2
60.01703	1.0
61.98829	26.2
69.03455	1.5
69.24052	7.1
71.01385	32.9
72.41712	0.7
72.99334	1.8
73.02946	9.1
73.92889	0.7
78.95341	0.7
83.01382	7.4
83.05034	1.3
85.02961	13.8
86.00044	0.8
87.00875	20.9
87.04516	1.3
89.02447	18.4
94.66207	0.8
95.01389	4.5
97.02934	1.4
99.00886	3.1
101.02443	21.7
103.04017	3.9
103.05525	1.8
109.02938	1.1
111.00905	1.5
113.02455	20.7
113.03252	1.3
115.04006	1.7
115.05515	1.3
116.07180	0.8
119.03500	7.2
119.05011	1.7
125.01603	0.8
125.02468	2.5
127.03964	0.9
128.03555	4.7
129.01921	0.9
130.08768	1.8
131.03485	2.8
131.05026	1.8
133.06621	1.9
141.01971	1.3
143.03513	7.1
145.06566	1.4
147.04526	100.0
148.04829	4.8
159.87038	0.9
161.04585	8.9
161.06094	18.0
163.03944	0.8
163.06148	8.4
163.07466	1.3
167.03511	1.0
168.00623	0.8
172.52634	0.9
179.05653	3.7
189.05595	5.9
197.13039	1.2
205.07184	5.5
241.11948	4.1
247.08266	2.7
283.11884	10.1
323.09717	4.1
324.10599	0.8
429.17627	36.9
430.18097	3.8
471.18658	3.2
471.27612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
57.03442	1.3
58.00583	1.7
59.01381	100.0
60.01728	1.5
61.98815	0.8
69.03477	1.8
69.24423	6.9
69.24810	0.9
71.01383	33.7
72.99316	3.4
73.02949	29.3
75.00885	1.0
79.47822	0.8
83.01366	5.5
85.02951	13.0
86.00119	2.7
87.00887	11.0
87.04509	3.8
89.02441	25.0
95.01402	4.4
97.02976	1.3
99.00883	1.6
101.02445	40.7
102.02795	1.0
103.04018	8.0
111.00862	1.3
113.02444	14.2
115.04007	6.4
119.03506	11.1
125.02472	3.1
131.03516	11.7
134.87245	0.7
139.00397	1.1
143.03502	15.1
145.05075	3.9
149.04543	2.2
161.04601	6.2
161.05806	1.2
163.06125	23.3
164.06473	0.9
179.05585	3.6
205.07176	26.3
206.07529	1.1
247.08253	7.7
283.12012	2.8
311.88391	0.8
429.17667	28.6
430.18094	2.9
471.19019	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	471.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98468	0.3
52.04552	0.3
55.01873	1.4
57.03436	0.9
58.00591	0.7
59.01380	34.8
69.03445	0.8
69.31818	2.6
71.01381	25.9
72.01736	0.5
72.99303	0.8
73.02943	8.0
75.00868	0.6
83.01387	2.9
85.02947	11.2
86.00109	0.6
87.00882	3.6
87.04525	1.3
89.02451	5.4
95.01391	2.1
97.02962	0.9
99.00880	2.9
101.02443	16.1
103.04000	3.1
113.02451	13.2
113.03252	0.5
115.03989	1.8
119.03510	1.2
119.05047	1.7
119.05800	0.3
121.02959	0.5
121.06596	0.9
125.02448	1.3
127.04002	0.5
131.03514	2.8
139.00381	0.3
143.03491	6.8
145.03001	0.8
145.05061	0.7
147.04562	1.0
148.05305	100.0
149.05605	4.2
159.02986	2.6
161.04559	22.2
162.04922	0.7
163.07649	75.2
164.07983	3.9
203.05734	0.3
205.03677	0.6
205.07166	5.9
228.64822	0.3
306.22226	0.3
307.10699	0.6
314.66565	0.4
325.12912	1.3
331.93332	0.3
471.13657	0.5
471.18637	12.4
472.18805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15156	0.6
59.01382	100.0
60.01731	1.2
61.98835	5.0
69.64211	0.7
71.01385	10.3
73.02945	4.7
80.45532	0.6
83.01398	1.4
85.02961	5.0
87.00877	1.4
89.02409	3.8
95.01402	1.5
96.35937	0.8
98.19835	1.8
99.00936	0.9
99.04520	0.8
101.02443	10.2
113.02456	8.5
119.03532	1.0
121.06601	28.2
122.07021	1.2
125.02486	1.4
130.08720	0.8
131.03532	1.0
143.03522	1.8
161.04578	6.6
161.05823	0.9
162.06464	1.2
163.07719	1.8
165.09236	1.0
176.04094	0.8
204.84315	0.7
205.07080	0.8
255.89859	0.7
306.05545	0.8
402.03394	0.7
429.17633	8.6
435.22528	1.0
436.24274	1.1
471.22964	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05565	0.5
58.44765	0.4
70.30288	1.3
88.26745	0.4
89.97847	0.3
94.86207	0.3
95.05001	0.7
98.20564	0.4
99.73035	0.3
105.03474	2.6
117.03465	1.0
121.02954	0.4
123.04575	0.4
132.02167	8.5
133.02968	14.7
134.03748	14.4
135.04536	4.1
137.02451	4.4
139.03993	1.1
147.04475	0.4
148.05353	1.6
149.06067	1.5
150.03186	0.7
155.65811	0.4
160.01656	45.6
161.02429	8.9
161.06050	2.8
162.03120	0.5
175.03993	100.0
176.04303	4.4
177.01814	0.4
178.02693	1.6
179.03458	2.0
190.09929	0.8
193.05040	7.3
194.02168	0.5
194.05310	0.4
195.61255	0.4
233.08174	0.5
247.09688	0.6
272.58554	0.3
275.78760	0.3
277.21707	0.6
287.12854	2.6
295.22766	8.6
296.23132	0.8
314.66357	0.4
327.15921	1.4
328.16629	0.9
341.17471	1.2
342.78091	0.4
371.25934	1.1
383.22134	0.3
439.24805	5.3
453.26297	0.5
471.27496	49.7
472.27753	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	471.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24083	0.6
71.13454	0.9
71.13799	1.3
71.99072	0.7
95.05013	0.7
96.33463	0.6
105.03464	2.5
117.03488	0.7
132.02184	11.2
133.02957	13.1
134.03749	15.3
135.04539	4.6
137.02466	2.8
139.04018	1.0
145.02873	0.7
148.05280	1.5
149.06017	0.9
152.99606	0.6
160.01659	48.9
161.02431	8.4
161.06073	2.3
175.03998	100.0
176.04356	3.7
178.02707	1.5
178.35925	0.6
179.03542	1.8
193.05037	7.4
205.05237	0.7
230.53177	0.8
234.28624	0.6
235.96152	0.6
239.85255	0.7
247.09814	0.7
287.12881	2.4
295.22745	9.8
296.23056	0.7
301.14270	0.7
327.16043	1.5
366.53387	0.8
371.26031	1.4
439.24890	4.2
453.26086	0.9
471.27536	50.5
471.34592	4.6
472.27817	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	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
66.91729	0.6
71.01379	0.8
83.50903	0.6
88.16258	0.7
98.19905	1.4
106.26147	0.7
162.83713	0.7
204.48517	0.6
237.87456	0.7
252.01480	0.7
273.88348	0.6
331.66708	0.7
339.00928	0.7
407.33438	1.2
441.46075	0.7
453.34042	4.7
454.34085	1.0
471.34818	100.0
472.35101	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	471.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78656	0.4
59.01375	0.6
60.16774	0.4
61.98805	0.6
62.56508	0.5
68.02642	0.5
68.39549	0.6
68.93925	0.5
71.56083	0.7
88.97513	0.5
110.12406	0.5
114.73885	0.6
125.85153	0.5
182.56320	0.5
194.19035	0.5
360.30008	0.5
471.34775	100.0
472.35129	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	471.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
66.73753	0.5
70.68549	2.2
77.69577	0.6
80.44926	0.6
91.61082	0.6
97.49012	0.7
100.08650	0.5
102.78528	0.7
163.07979	0.6
385.24695	0.6
471.34824	100.0
472.35156	16.0
472.40042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.1
61.98823	3.2
64.91606	0.7
70.02966	3.2
71.01379	34.0
71.05019	21.0
72.00894	1.4
73.02946	2.1
74.02493	0.7
82.84947	0.7
85.02967	1.8
87.00867	1.4
88.04044	16.7
88.04591	1.5
89.02440	2.2
98.06118	0.7
99.04521	6.7
101.02426	3.2
103.04041	0.9
107.05070	1.0
108.02174	27.9
109.03002	4.8
113.02427	1.5
116.07211	3.3
119.03542	0.9
120.32203	0.7
121.02941	1.1
129.05585	2.0
135.04539	1.7
143.03497	1.0
145.02951	2.0
146.08232	100.0
147.08600	2.8
151.04018	1.9
160.10582	0.7
161.04559	5.6
163.04001	1.0
163.06105	1.5
175.02554	1.3
200.09268	4.8
204.00581	1.2
205.07228	1.3
218.10327	18.4
219.10669	0.9
253.07072	4.0
271.08276	4.7
297.07831	1.5
311.05579	1.5
325.09375	8.4
326.09564	0.8
353.06741	3.6
394.39969	0.6
409.64981	0.7
426.87158	0.7
472.18262	2.2
473.11115	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	1.4
59.01381	49.4
60.07925	1.2
61.47721	1.3
69.48679	9.7
71.01389	34.9
72.99303	2.0
73.24672	1.3
83.01414	1.6
85.02969	3.8
87.00880	2.5
89.02442	59.3
89.55311	1.5
90.02782	1.6
95.01404	2.2
101.02449	20.0
108.78932	1.3
113.02445	15.4
119.03506	21.5
123.12416	1.4
130.08746	49.6
131.03496	3.3
131.09200	1.5
139.82300	1.5
143.03461	3.6
159.01463	1.2
161.04543	6.4
179.05615	27.7
184.91823	1.3
213.63211	1.2
315.94449	1.5
316.46207	1.4
338.05298	1.6
341.10867	100.0
342.11328	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	473.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
60.26482	0.6
61.98840	4.5
71.01370	1.4
73.23650	0.5
75.00901	0.7
78.95907	33.4
79.95731	4.2
96.96017	100.0
96.96966	54.0
100.04087	0.6
112.29758	0.7
113.02428	0.8
115.00385	0.9
116.92850	1.2
119.04989	0.8
131.03610	0.8
142.99802	1.7
145.02992	0.6
147.04518	1.1
149.02386	1.1
150.03204	2.0
160.75179	0.7
164.07164	2.5
165.05580	3.2
259.01315	2.2
311.05487	1.0
327.10947	0.8
414.42191	0.7
425.07306	1.1
435.13651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94167	1.5
57.30056	1.7
59.01379	64.4
61.98828	12.1
65.05711	1.4
71.01390	11.5
73.02942	7.3
83.01369	3.1
85.02965	4.4
85.16368	1.6
89.02433	4.2
93.03453	4.4
95.01392	3.5
99.00859	2.3
100.46645	1.6
101.02438	7.0
107.01361	3.2
113.02440	5.4
117.03467	35.3
118.03806	2.1
119.03457	1.9
119.04977	2.6
121.02966	2.2
125.02483	2.0
131.01392	2.4
133.02942	5.5
134.03712	1.6
135.04581	2.6
136.00697	1.8
137.02386	2.5
145.02917	2.1
147.04478	3.0
149.02419	3.7
150.06320	1.8
151.00359	2.7
152.01175	1.6
158.58723	1.7
159.04527	8.1
160.01620	3.4
161.02457	22.1
161.04544	4.0
163.00322	8.5
163.04056	4.9
171.04463	3.4
173.02446	3.6
175.00327	3.6
175.03882	8.1
177.01906	4.6
183.04570	2.4
185.02444	3.3
187.03976	4.6
191.03474	4.2
203.03476	5.2
215.03488	13.8
225.05478	2.4
227.03436	5.2
229.01308	2.1
233.04422	3.1
239.03406	2.8
251.05521	2.7
253.04970	2.8
255.02965	3.7
257.04269	4.9
259.61731	2.0
259.64404	1.9
267.06653	3.8
268.03842	8.3
269.04544	39.5
270.04892	3.5
271.02612	2.4
279.06549	2.7
281.04565	39.6
282.05176	7.1
283.02863	3.7
283.06097	20.0
284.03290	2.6
284.06290	2.8
285.04010	3.6
293.04541	54.7
294.04868	3.1
295.06088	21.8
296.06131	2.0
297.03976	11.5
297.07382	2.9
299.01978	5.5
307.06067	3.4
308.03549	8.0
309.04065	11.8
309.07617	4.1
311.05588	36.5
312.05872	3.1
314.04352	1.7
319.06403	3.3
321.07724	7.8
323.05591	55.8
324.06003	5.5
325.07166	8.1
327.05066	2.1
335.05652	4.5
337.09415	2.1
339.05121	2.2
347.05777	2.1
349.07224	11.1
353.06598	13.2
365.06699	4.7
377.06610	16.7
378.07031	2.1
383.07697	4.6
395.07660	5.9
413.08762	69.0
413.21307	3.0
414.08960	5.8
431.09766	12.5
447.09351	5.0
473.10876	100.0
474.11188	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	473.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80038	0.5
53.26464	0.5
57.03436	0.6
59.01378	10.7
61.98829	13.3
69.73599	3.1
71.01384	3.9
73.02956	1.4
79.01881	1.3
83.01347	1.2
85.02962	1.4
89.02457	2.8
91.05550	0.7
93.03445	4.3
95.01431	0.9
95.93402	0.6
99.00923	0.7
101.02451	2.3
106.06633	0.5
113.02451	1.9
117.03461	9.5
119.03523	0.7
119.05061	3.1
121.02894	0.9
123.04525	2.5
133.02858	0.6
133.06578	1.3
134.03789	0.7
135.04518	6.5
145.02972	1.3
147.04483	1.5
149.02455	1.9
149.06044	1.4
159.04532	2.2
161.02429	3.1
161.04599	2.1
161.06093	0.8
162.03239	0.6
163.04030	4.0
165.05611	1.0
165.09196	1.6
167.03485	1.2
168.03777	1.4
173.06073	1.1
175.03995	2.0
177.01944	1.3
177.05565	2.6
179.03455	1.0
182.03784	0.6
187.04041	1.3
189.01926	1.8
189.05611	1.0
191.03503	2.8
193.04808	0.6
205.05008	1.5
215.03445	0.8
223.07623	0.9
225.05521	0.7
233.04588	1.8
233.75711	0.7
237.05530	1.4
238.06317	0.8
251.07224	0.9
253.08591	1.1
259.02499	1.0
267.06635	1.2
281.04471	1.0
282.05359	4.8
283.06137	2.2
295.05966	4.6
296.06860	2.8
297.07657	44.8
298.07956	3.6
307.06256	3.0
309.07742	0.8
311.05515	2.4
312.12497	0.7
323.05539	3.2
324.06024	0.7
325.07141	22.7
326.07602	2.3
327.14703	0.6
328.05859	1.4
335.05612	2.1
337.07181	1.2
351.05240	1.5
353.06641	100.0
354.06976	8.6
365.06671	3.1
381.05771	0.7
383.07724	8.1
413.21756	1.4
436.16327	0.8
473.10849	95.0
474.11148	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10532	0.3
59.01378	4.1
61.16735	0.3
61.98824	0.6
69.22401	3.4
71.01391	0.6
89.00304	0.3
98.20599	0.6
99.04536	0.4
101.02448	0.5
103.01849	0.7
117.03464	18.2
118.03753	0.9
131.01379	3.6
135.04431	0.4
145.02986	0.4
147.04477	0.3
159.04514	0.7
161.02466	2.6
163.00375	0.8
163.04036	1.5
169.72485	0.3
173.02432	8.3
174.02876	0.4
175.00360	11.6
175.03992	0.6
176.00745	0.3
177.01811	0.5
179.03362	0.4
181.07545	0.3
185.02406	0.5
185.91696	0.4
191.03511	0.8
193.06540	0.7
203.03476	1.0
208.05362	0.4
213.03209	0.3
215.03531	0.7
221.06058	0.5
225.05573	0.3
233.04466	0.5
237.05547	0.6
249.05507	1.5
251.05533	0.5
253.05011	0.4
265.04965	1.0
267.06534	0.4
268.03946	0.4
269.04547	3.2
270.04630	0.3
281.04578	3.1
282.05142	1.1
283.06055	2.5
293.04547	100.0
294.04886	8.8
295.06085	1.7
308.03143	0.9
309.03940	1.1
309.07465	0.7
311.05582	5.4
311.71286	0.3
312.05981	0.5
314.04568	0.4
321.07379	0.5
323.05634	4.8
323.40347	0.3
324.06076	0.7
325.07144	2.2
335.05469	1.7
339.05029	0.4
349.07205	0.9
353.06635	4.4
353.54788	0.3
354.07214	0.4
365.06647	0.5
377.06650	1.3
395.07968	0.6
413.08746	31.0
414.08972	3.4
431.09866	3.5
473.10870	7.6
474.11435	0.9
488.05426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	69.2
60.01733	0.5
61.98833	0.3
71.01390	1.3
72.81225	0.3
73.02940	0.4
85.02986	0.4
89.02431	0.4
93.03472	0.7
95.01430	0.5
101.02454	0.5
103.01913	0.8
113.02418	0.5
117.03473	7.9
121.42256	0.3
131.01385	4.8
131.16049	0.3
142.18103	0.3
145.02942	0.5
147.00934	0.6
161.02460	0.8
161.04553	0.5
163.03990	0.7
170.70871	0.3
173.02444	4.1
175.00360	15.2
175.04068	0.5
187.04057	0.5
191.03606	0.4
193.06619	0.6
203.03484	0.4
209.06154	0.3
237.05562	1.0
249.05579	0.8
251.03400	0.5
265.05057	1.0
268.03848	0.4
269.04526	0.7
281.04520	1.2
282.05359	1.5
283.06030	0.8
293.04559	100.0
294.04910	9.4
295.06177	1.0
297.07529	2.3
307.05981	0.8
309.07364	0.3
311.05566	1.3
321.04044	0.4
323.05566	0.9
324.06244	0.4
325.07166	3.4
328.05746	0.4
333.30392	0.3
335.05649	2.2
337.07211	0.6
353.06638	9.5
354.06964	1.1
365.06665	1.3
366.13513	0.3
383.07672	6.5
395.07761	0.5
413.08795	17.8
414.09122	1.6
431.10229	0.3
473.10797	7.4
474.11078	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55405	0.5
55.01864	0.5
57.03434	0.6
59.01378	21.2
61.80740	0.5
61.98829	6.0
65.00324	0.6
68.84750	0.5
71.01382	4.6
71.56779	0.7
72.99295	0.7
73.02943	0.8
75.00864	0.5
77.03957	3.6
79.01897	1.7
80.30612	0.5
83.01378	1.5
85.02946	2.1
87.00881	0.9
89.02444	2.1
91.05573	0.5
93.03455	3.4
95.01400	0.8
95.05000	0.6
95.99458	0.5
97.02943	0.8
98.56969	0.5
99.00890	0.9
99.04527	0.9
101.02446	3.6
105.03433	1.3
107.01395	0.9
111.00894	0.6
113.02432	2.8
115.00394	0.7
117.02631	1.1
117.03461	18.4
119.03504	0.6
119.05017	2.3
121.02955	3.5
121.06583	1.5
122.06934	1.0
123.04495	0.8
125.02417	1.4
133.02913	0.7
135.04529	3.5
137.02441	0.6
145.02950	1.4
147.04506	1.3
149.02455	3.5
151.00305	0.6
159.03235	0.7
159.04492	3.2
161.02455	6.3
161.04538	1.7
163.00342	1.7
163.03992	5.9
165.01920	1.1
167.03502	0.8
169.06549	0.6
171.08134	0.6
173.02390	0.9
173.06027	0.6
175.00345	0.9
175.02448	1.8
175.03949	1.1
177.25327	0.6
179.03532	1.5
187.04042	1.3
189.02016	0.9
191.03519	2.6
193.01506	1.1
196.05328	0.6
197.06071	1.3
203.03461	1.6
209.05937	0.7
210.06825	0.7
211.03952	0.7
211.07605	0.9
225.05502	1.3
229.01274	0.7
237.05437	0.6
239.07079	2.3
243.06616	0.7
253.05115	1.4
255.06712	0.6
267.06699	0.8
268.03781	3.6
269.04517	4.5
273.07620	1.0
281.04559	7.6
282.05347	3.6
283.06100	56.7
284.06433	4.5
293.04550	7.6
294.04944	0.7
295.06088	4.6
305.04477	0.7
311.05591	100.0
312.05905	8.4
314.04395	1.2
323.05585	9.7
324.05884	0.9
325.07126	0.8
334.34592	0.6
335.05627	0.9
341.06607	7.6
353.06680	1.6
365.71741	0.5
392.75595	0.6
413.08737	40.1
414.08939	4.5
431.09537	0.8
473.10846	48.3
473.23892	3.5
474.11270	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	473.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25975	0.1
59.01379	0.6
70.93510	0.2
71.01373	0.2
85.02947	0.1
91.05533	0.4
93.03453	0.7
95.04993	0.2
112.66074	0.1
113.02464	0.1
115.05538	82.1
116.05875	3.5
117.03460	2.1
117.07105	7.4
118.03776	0.1
118.07453	0.5
121.02953	0.3
122.14617	0.1
123.04536	3.0
130.04276	0.2
132.05759	0.2
133.06586	0.3
143.05029	7.5
144.05328	0.4
149.02390	0.3
160.50987	0.1
161.06081	17.1
162.06351	0.9
163.06720	0.2
187.04002	100.0
188.04335	5.6
205.05052	6.7
206.05348	0.3
221.09703	0.7
267.10266	0.3
269.08188	0.2
342.37274	0.1
378.30911	0.1
437.52164	0.1
473.14459	5.0
474.14835	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01292	0.3
59.01377	1.1
61.98825	0.6
69.64456	1.0
69.64870	0.6
71.01376	0.7
73.02960	0.5
84.63757	0.2
85.02975	0.4
91.05536	0.3
93.03455	0.7
99.00880	1.1
99.53117	0.3
101.02452	0.3
113.02462	0.3
115.05538	81.8
116.05878	3.7
117.03490	2.2
117.07108	6.9
118.07427	0.5
121.02924	0.5
123.04537	3.4
143.05020	7.3
149.02432	0.3
161.06079	14.4
162.06445	0.5
165.05548	0.4
175.02428	0.3
178.38608	0.2
187.04002	100.0
188.04352	6.0
205.05040	6.6
206.05518	0.2
221.09677	0.7
227.07317	0.3
267.10129	0.4
326.12042	0.3
415.92163	0.2
473.14386	5.5
473.28241	0.2
474.14508	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57627	0.2
59.01377	3.0
60.98830	0.3
61.98818	0.6
70.57844	0.3
71.01373	0.8
72.78161	0.2
73.02950	0.3
75.57262	0.3
80.94827	0.3
85.02956	0.3
89.02430	0.5
91.05518	0.5
93.03468	0.8
95.01366	0.3
95.05003	0.6
99.00884	0.3
101.02416	0.7
113.02449	0.3
115.05537	90.2
116.05874	3.8
117.03452	2.7
117.07104	40.7
118.07436	1.7
121.02946	0.6
123.04523	5.3
132.05826	0.3
133.06581	1.0
143.05031	8.2
144.05339	0.3
149.02419	0.8
158.54546	0.3
161.06076	81.6
162.06416	4.9
187.03998	100.0
188.04332	5.6
205.05049	26.2
206.05334	1.2
206.66724	0.3
229.43819	0.3
251.16570	0.4
277.08847	0.4
323.11368	0.5
361.86295	0.3
473.14517	14.4
473.27499	0.5
474.14767	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	473.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.9
61.98828	2.2
66.44537	0.3
68.49954	0.3
71.01384	1.7
73.02967	0.7
83.01392	0.6
85.02931	0.4
89.02432	0.5
91.05540	0.5
93.03441	0.7
101.02465	0.8
113.02438	0.5
115.05540	82.2
115.66128	0.3
116.05878	3.6
117.03455	2.3
117.07113	4.1
119.05086	0.4
121.02927	0.4
123.04514	3.3
143.05029	6.7
145.02985	0.4
159.02982	0.4
161.04723	0.6
161.06061	8.0
162.06459	0.6
187.04002	100.0
188.04317	5.7
205.05048	5.5
221.09694	0.7
233.03232	0.4
239.03444	0.6
247.61603	0.4
269.08078	0.5
278.23666	0.4
297.27332	0.4
314.10788	0.4
355.11838	0.6
367.11899	0.6
473.09174	0.4
473.14789	5.3
474.14688	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.3
61.79725	0.8
61.98823	1.9
63.59101	0.7
75.17797	0.8
98.19823	1.4
99.78983	0.7
115.05536	78.1
116.05882	3.3
117.03471	2.7
117.07108	12.3
119.05079	0.8
123.04533	4.1
143.05017	6.8
143.26631	0.9
161.06073	25.3
162.06422	1.1
187.03995	100.0
188.04294	5.2
205.05052	8.0
229.15620	0.8
297.75449	0.9
387.27841	0.8
473.14813	4.5
473.33783	1.0
474.14844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.9
61.98827	2.4
71.01376	2.5
71.56629	0.8
73.02941	0.8
83.01418	0.6
85.02950	1.5
89.02435	0.6
93.03471	0.6
99.00926	0.5
101.02448	2.0
113.02441	1.0
115.05537	81.1
116.05883	3.3
117.03461	2.4
117.07105	19.4
118.07450	0.7
119.03503	0.4
121.02981	0.6
123.04526	4.1
125.02451	0.5
132.05820	0.6
143.05025	8.0
149.09692	2.3
160.01675	0.7
161.04652	1.3
161.06071	38.2
162.06369	1.5
165.19191	0.4
175.03987	0.7
187.04001	100.0
188.04343	5.3
205.03537	0.5
205.05051	13.5
210.03102	0.9
211.04002	6.5
212.04260	0.5
221.09613	0.8
239.03462	3.1
245.06667	0.6
253.05042	2.8
254.05821	14.1
255.06114	1.0
269.05283	0.8
269.08170	14.2
270.08371	1.3
292.07584	0.5
323.09784	1.2
413.09024	0.5
473.14569	8.3
474.14856	1.6
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
54.83744	2.2
55.01879	5.6
57.03436	5.1
58.00597	2.4
59.01377	100.0
61.98825	9.4
69.03450	2.6
69.74552	14.5
71.01383	79.4
72.99301	6.0
73.02947	28.5
75.00835	2.3
83.01385	13.7
84.97521	2.2
85.02953	40.3
87.00886	7.3
89.02437	20.7
89.54942	2.1
95.01375	8.6
99.00877	16.0
101.02444	66.6
108.02149	3.4
110.56670	2.4
113.02447	45.8
119.03509	3.1
123.04594	5.3
125.02460	7.2
131.03639	2.7
135.02998	3.1
141.01964	3.3
143.03397	5.0
149.02470	2.3
150.03210	4.8
153.01895	4.4
159.02963	6.1
159.60336	2.4
161.04550	30.0
165.05565	33.4
168.04305	4.9
175.03941	3.7
178.02684	32.1
179.03241	3.3
183.06563	3.2
186.64450	2.3
193.05055	52.7
214.05070	2.1
258.27475	2.7
269.10303	19.8
311.11224	4.2
320.74985	2.5
353.06509	6.3
365.99777	2.9
373.11298	6.2
413.14841	3.6
431.15564	70.5
432.15805	5.8
441.10327	4.6
473.10751	7.8
473.16660	32.8
474.17105	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	473.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.56793	0.8
71.54768	1.8
115.05542	11.3
117.07074	1.1
121.03003	1.0
123.04469	1.0
134.04712	1.6
152.32684	0.8
156.63393	0.9
157.12326	1.3
161.06081	4.6
187.04001	13.3
203.97507	0.9
209.08145	0.9
223.58195	1.0
473.34393	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03552	0.5
57.21816	0.6
59.01380	100.0
60.01713	1.1
61.98837	1.7
68.99822	2.3
71.01385	10.1
71.13578	0.6
71.13914	1.1
72.01712	0.5
73.02947	2.9
83.01380	1.5
85.02959	3.5
87.00905	1.9
89.02445	4.0
95.01407	0.7
99.00877	5.5
101.02439	5.1
103.04041	1.1
108.96780	0.5
109.58466	0.5
113.02448	4.4
115.00408	1.9
115.05544	7.7
116.20413	0.5
117.07162	0.9
119.03468	1.4
127.00505	0.6
134.06120	2.5
136.07631	0.8
143.03503	0.8
143.05046	1.1
161.04584	2.4
161.06120	2.8
163.06219	0.7
175.02496	3.9
179.05745	0.8
182.44182	0.5
187.04013	9.6
196.53139	0.6
205.05154	0.5
205.07225	0.7
209.15494	1.0
209.94057	0.5
211.04016	0.9
239.03522	0.9
268.03732	0.6
269.04623	0.9
413.21848	1.1
430.17767	0.8
473.10687	0.7
473.24115	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23576	0.5
52.11180	0.4
52.81846	0.4
59.01381	75.1
60.01725	1.0
61.98837	2.8
62.34217	0.4
64.29900	0.4
66.62484	0.5
71.01393	0.9
73.02965	0.5
85.02965	0.7
89.02458	0.7
89.65089	0.5
101.02450	1.1
103.01945	0.7
113.02463	0.7
115.05574	0.7
117.03456	7.4
119.05017	0.9
125.02438	0.6
131.01375	3.8
145.02985	0.9
161.02470	0.8
161.04590	0.5
163.04022	1.5
165.05583	0.8
171.33530	0.5
173.02454	3.1
175.00356	13.5
176.00803	0.7
177.32481	0.5
185.02306	0.5
187.04073	0.6
237.05557	1.0
249.05640	0.6
265.05075	0.8
269.04626	0.8
281.04529	0.8
282.05661	0.5
293.04559	100.0
294.04926	8.2
294.07983	0.8
295.06332	0.6
307.06091	0.7
311.05481	0.6
323.05453	1.0
325.07193	2.0
335.05533	1.4
353.06680	6.5
365.06577	0.7
413.08737	15.8
414.09024	1.7
473.10873	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.3
59.01379	100.0
60.01715	0.8
60.10910	0.3
61.98830	2.0
63.63538	0.3
67.65122	0.3
71.01376	2.4
71.56888	0.3
73.02959	1.2
75.00874	1.3
83.01381	0.6
85.02956	1.0
89.02418	1.3
95.01404	0.3
97.02976	0.4
99.00884	0.3
101.02446	1.6
103.00374	1.4
103.04008	0.6
106.79424	0.3
113.02451	0.8
117.03464	3.5
117.07153	0.3
119.03554	0.5
125.02483	0.4
133.02933	0.6
135.04526	0.5
136.05286	0.5
144.00388	0.3
147.04532	0.5
151.00586	0.3
159.04485	0.6
161.02434	2.4
161.04581	0.8
163.00381	1.0
163.04016	0.5
166.05081	5.3
171.04616	0.4
173.02473	0.5
175.00421	0.5
175.04016	1.0
176.67815	0.3
177.01959	0.4
179.05565	0.4
185.02385	0.4
187.04019	0.5
191.03505	0.3
203.03571	0.8
205.05122	0.3
215.03572	1.0
253.05005	0.4
257.04358	0.4
267.06677	0.4
268.03763	0.9
269.04514	4.1
270.05136	0.3
279.06631	0.5
281.04550	3.5
282.05249	0.7
283.06192	1.7
284.06671	0.3
293.04523	5.5
294.04858	0.5
295.05994	1.9
295.57443	0.3
297.03967	1.0
308.03391	0.6
309.04044	0.9
309.07422	0.3
311.05597	3.8
321.07639	0.9
323.05573	5.4
324.06003	0.4
325.07080	0.7
335.05414	0.3
347.05682	0.4
349.07364	1.3
353.06863	0.7
377.06573	1.5
395.07959	0.4
413.08780	6.6
414.09189	0.8
431.09769	1.1
473.10870	9.4
474.11224	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03191	0.5
50.65654	0.5
51.71747	0.5
59.01381	100.0
60.01706	0.9
61.98841	3.7
69.56996	3.1
69.57422	0.9
71.01385	2.3
73.02957	1.1
83.01370	0.8
85.02932	0.8
87.00900	0.6
89.02481	1.0
93.15793	0.7
95.01421	0.5
96.47103	0.5
99.00915	0.6
101.02457	1.6
113.02474	1.3
115.05540	26.2
116.05901	1.1
117.03487	0.8
117.07130	1.5
119.03555	0.7
120.06846	0.5
121.02982	0.8
123.04524	1.0
134.03748	0.6
143.05055	2.1
150.06932	1.7
161.04741	1.1
161.06107	4.0
165.05540	0.5
165.09270	1.6
173.62129	0.5
187.04001	32.0
188.04393	1.8
189.09161	0.6
205.05125	2.0
232.54874	0.6
353.10471	0.9
473.14655	3.2
474.15167	0.6
478.50723	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50199	0.3
54.45419	0.3
59.01381	100.0
60.01714	1.2
61.98839	1.5
67.70410	0.3
69.23280	0.3
69.28062	2.0
69.28488	1.4
71.01396	2.0
72.99307	0.5
73.02960	0.9
80.06119	0.3
82.67229	0.4
83.01419	0.5
85.02956	0.6
89.02467	1.4
89.63940	0.3
95.01421	0.3
101.02460	1.4
101.95455	0.4
113.02464	1.0
115.05530	3.0
117.03498	0.4
117.07143	1.0
129.34467	0.3
148.05348	0.8
149.05658	0.4
150.05850	0.5
161.04706	0.6
161.06096	2.2
163.07704	0.5
164.07951	0.4
175.04033	0.4
187.04051	3.4
205.05046	0.9
210.69838	0.3
225.33279	0.4
281.04443	0.4
283.06281	0.7
295.06415	0.4
323.05710	0.7
325.31070	0.4
341.06985	0.7
353.06900	0.6
382.06271	0.4
413.08899	0.6
486.37708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2909
Annotation	Methyl lucidenate Q
Peak:m/z	Relative Intensity
52.13744	0.7
56.52221	0.7
59.01365	1.5
60.14954	0.7
61.98815	1.7
63.70435	0.9
69.64378	3.9
78.95914	1.0
105.03481	3.8
110.17193	0.8
132.02184	8.4
133.02965	16.5
134.03778	13.2
134.04716	1.6
135.04546	4.5
137.01511	0.8
137.02379	3.8
148.05304	4.5
160.01660	44.4
161.02473	8.2
161.06047	2.8
175.04002	100.0
176.04362	4.1
178.02740	1.4
179.03429	1.8
193.05045	7.3
204.11420	0.8
233.08154	2.4
247.09727	2.4
275.12961	1.0
279.23331	1.2
297.24368	11.5
329.17587	0.9
330.18170	1.2
343.19116	3.1
373.27264	1.1
376.60367	0.9
397.51489	0.9
441.26477	5.2
473.29019	66.0
474.29245	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	473.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58061	0.7
59.01361	0.7
59.91934	0.6
61.98808	1.0
82.14144	0.7
87.04491	0.9
87.67217	0.8
98.20741	1.5
117.17816	0.7
121.06593	11.9
133.06573	3.0
149.09718	100.0
150.10043	4.2
163.11267	3.7
205.16013	5.7
297.18619	7.6
304.03500	0.8
311.20157	26.2
312.20575	2.0
323.20169	20.4
324.20544	1.5
444.43433	0.9
457.25317	3.0
473.30658	94.8
474.31064	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	473.3272
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
53.32638	1.6
61.98833	4.7
69.03452	6.3
71.05019	1.4
78.95914	2.2
81.03452	1.8
97.43618	1.4
98.19880	5.1
104.64391	1.4
107.05039	4.4
109.06593	92.0
110.06932	1.7
121.26631	1.5
129.61678	1.4
132.02080	3.3
133.02939	5.2
134.03751	4.1
135.04463	1.9
149.34995	1.8
151.22734	1.3
158.50203	1.3
160.01665	13.3
161.02390	1.7
175.03984	28.9
189.46700	1.6
297.24365	3.8
305.24899	8.6
317.28360	2.3
325.08435	2.0
342.02072	1.6
355.29962	2.4
357.31613	40.9
357.35941	3.2
358.31982	6.1
359.29422	2.1
383.33310	2.0
385.34674	17.5
411.32709	13.2
429.33749	64.5
430.34024	7.5
447.02145	1.4
473.33109	100.0
474.33423	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	474.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.6
59.01381	39.0
59.80908	0.9
60.01697	2.8
61.98831	100.0
71.01376	6.9
71.55929	1.7
72.29819	0.9
73.02946	2.0
75.00802	1.1
80.11017	1.0
85.02934	2.4
89.02442	2.4
95.05021	0.9
95.12766	0.9
98.00092	1.0
99.00867	1.0
99.04556	5.6
101.02426	4.1
113.02442	3.5
115.05544	28.5
116.05883	13.9
117.03435	1.5
117.07087	5.1
118.07420	3.0
118.15683	0.9
123.04507	1.5
125.02450	2.5
143.05020	2.5
144.05356	1.2
145.06625	1.0
149.02403	1.0
161.04680	1.6
161.06067	9.8
162.06415	5.5
187.04013	25.3
188.04337	21.9
205.04988	3.7
206.05383	4.3
213.05481	1.7
220.27664	1.1
227.03476	1.4
228.03816	1.1
241.05109	1.7
255.03008	1.2
256.03253	2.5
256.07300	2.0
271.09732	2.4
284.03207	2.6
285.03757	3.3
287.13632	1.0
400.08310	1.0
474.10840	0.9
474.14737	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37898	0.2
54.67939	0.2
58.03106	0.2
59.01368	1.1
59.26324	0.2
61.98801	0.3
64.54568	0.3
67.24210	0.3
78.95904	13.9
87.94251	0.2
96.96956	0.8
97.73174	0.3
98.20669	0.5
122.00116	0.3
140.01167	2.4
152.99557	1.5
171.00607	1.2
196.03738	1.4
214.04855	3.6
233.22801	0.3
254.76582	0.3
259.20682	0.4
271.36374	0.3
275.20172	0.6
277.21701	100.0
278.22061	8.6
366.72656	0.3
386.47455	0.3
410.17346	0.3
474.26224	12.2
474.36542	0.5
475.26538	1.4
475.37866	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66116	0.9
69.96371	3.5
78.95903	86.1
96.96966	6.5
97.87596	1.2
104.06403	0.8
114.65428	0.8
118.15170	0.8
140.01204	6.9
151.01411	0.8
152.99573	11.0
171.00630	10.9
173.53929	0.8
190.83168	0.8
196.03812	12.8
214.04843	3.3
277.21710	100.0
278.22073	9.5
335.68292	0.7
388.49731	0.8
400.22922	1.4
474.26239	60.7
475.26639	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	475.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.2
59.01381	21.2
61.58445	0.4
61.98830	1.6
69.19373	4.2
71.01398	2.5
73.02959	0.8
85.02950	1.0
89.02452	1.8
91.01891	0.5
93.03463	13.9
98.20602	0.7
99.04533	0.9
101.02426	2.3
103.01913	3.6
113.02431	1.2
119.05026	64.2
120.05368	2.8
125.02442	0.8
131.01389	21.2
134.03769	0.5
143.03502	0.4
145.02979	1.5
147.00990	0.5
149.02432	1.4
150.03229	0.9
161.02428	0.6
161.04578	1.2
165.05569	0.7
173.02525	0.6
175.00363	71.1
176.00700	3.3
179.05603	0.7
189.01945	2.9
193.01366	1.1
201.01971	1.7
217.01410	0.9
253.04927	0.5
272.02844	0.5
281.06656	0.5
295.06104	100.0
296.06439	8.5
313.07111	1.0
315.05054	0.6
337.07251	2.6
357.13351	0.6
415.10315	4.9
415.23291	3.0
416.10718	0.6
452.45731	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
58.82877	0.3
59.01140	0.4
59.01383	4.3
65.00307	0.6
69.03460	0.5
71.01392	2.0
71.10800	0.7
71.11148	0.5
73.02951	0.7
81.03452	5.1
83.01379	2.8
85.02968	0.8
87.00905	0.5
88.98793	0.4
89.02438	1.1
91.01907	1.0
95.05028	0.7
97.02932	0.7
99.04463	0.4
101.02436	0.8
104.81632	0.4
107.01383	1.6
107.67665	0.3
113.02438	0.9
115.03992	0.4
123.04526	39.5
124.01671	0.8
124.04845	1.3
125.02448	12.0
126.02806	0.5
135.00877	2.5
138.03218	0.8
149.02390	0.5
149.99562	1.0
151.00377	2.1
161.04555	0.6
161.08170	0.4
166.02734	2.6
167.03491	100.0
168.00621	1.6
168.03799	4.7
168.39047	0.3
179.03464	0.7
181.05119	0.6
191.03470	2.7
205.07077	0.4
209.04530	5.8
221.04465	0.4
233.04503	0.5
251.05547	0.9
269.06699	2.6
269.09396	0.4
311.07605	0.6
313.05875	0.5
313.09387	1.1
329.08673	0.8
355.10333	3.5
457.13934	0.5
475.14566	67.7
476.14941	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	475.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23336	0.5
58.82182	0.6
59.01385	3.5
60.66323	0.5
61.98877	0.8
65.46969	0.6
71.55637	1.1
82.26483	0.7
82.47815	0.7
82.60086	0.5
83.20300	0.7
115.05531	3.5
116.05896	2.3
116.40590	0.7
117.07193	0.7
118.45796	0.7
120.42268	0.7
135.07951	0.6
148.71252	0.6
161.06099	0.9
162.06375	0.8
187.04010	3.5
188.04350	2.6
189.04660	1.7
190.95703	0.7
196.02477	0.6
198.74922	0.6
213.05550	29.0
214.05968	1.2
241.05061	52.9
242.05338	2.7
255.06589	2.8
256.07413	92.1
257.07751	7.3
271.09750	100.0
272.10049	8.0
303.56125	0.6
446.30542	0.8
460.76489	0.7
465.98636	0.7
471.22391	0.7
475.15820	2.9
475.29272	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24486	0.3
59.01376	2.3
71.32576	0.5
71.66650	0.3
172.16614	0.3
212.04730	0.6
213.05554	27.7
214.05852	1.5
219.98523	0.2
240.04347	0.3
241.05055	49.1
242.05336	2.9
255.06583	2.4
256.07394	88.6
257.07703	4.9
270.08865	0.4
271.09738	100.0
272.10080	8.6
306.08896	0.2
313.10468	0.3
315.75198	0.3
433.14819	0.4
475.16077	3.3
476.16223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75929	3.8
55.01875	3.7
57.03449	4.8
57.84343	3.3
58.00597	3.9
59.01381	100.0
61.98839	17.5
63.03588	3.1
71.01384	65.8
71.56696	6.5
72.99337	3.8
73.02953	27.4
75.64111	3.2
83.01388	10.8
85.02956	37.5
86.95319	3.3
87.00890	10.2
88.98833	5.3
89.02429	22.1
95.01403	6.9
99.00888	4.4
100.33279	3.4
101.02443	37.0
103.04075	4.1
107.05025	46.2
113.02454	41.3
119.03515	9.7
125.02476	4.6
131.03542	5.2
134.06136	10.9
143.03476	11.6
148.04066	19.8
160.04050	7.0
161.04584	45.0
163.06171	4.8
164.04822	22.2
167.03476	7.3
172.07433	3.1
179.07130	36.6
205.05054	10.6
233.04517	8.2
239.76270	3.8
257.49829	3.4
267.11197	6.1
269.10202	6.6
295.10907	22.9
322.28589	4.1
327.86621	3.5
355.08099	11.1
415.16080	66.4
415.21783	5.5
416.16348	8.0
475.17218	55.4
476.17273	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	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25219	1.4
57.03449	86.3
58.03777	1.7
59.01379	100.0
61.98829	3.1
71.01383	17.4
73.02948	11.5
79.13978	1.2
81.03461	2.9
83.01375	3.8
85.02946	8.2
89.02441	7.8
92.72571	1.6
95.01398	2.4
97.72107	1.4
98.19832	2.9
99.04523	86.7
100.04871	1.7
101.02448	25.1
111.26245	1.4
113.02469	12.3
119.03471	3.8
119.04988	2.1
123.04536	1.5
125.02451	37.7
126.02728	1.6
131.03494	2.1
143.03488	2.5
153.25613	1.4
161.04579	7.2
179.05563	3.1
224.92892	1.4
255.51161	1.5
263.53766	1.4
266.78583	1.5
331.17654	4.1
415.10181	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	475.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	98.4
58.03782	2.0
59.01383	100.0
61.98829	1.9
66.98760	1.3
69.21133	8.4
69.21557	3.4
71.01389	15.6
73.02962	3.1
81.03465	2.5
83.01421	1.9
85.02960	6.3
89.02436	7.2
98.19835	2.3
99.00932	1.6
99.04524	99.1
100.04900	1.5
101.02449	25.3
113.02441	7.6
118.03775	1.3
119.03519	3.6
119.04995	1.3
125.02457	40.2
130.43280	1.2
143.03519	3.3
161.04573	6.6
173.02495	1.7
179.05563	2.1
190.19841	1.1
264.58472	1.5
293.04529	5.1
294.04840	4.1
295.05264	8.9
331.17709	12.1
373.18661	2.9
414.08774	1.3
415.09558	4.5
475.11450	1.5
475.21820	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	475.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25427	9.9
55.23344	8.6
56.88548	8.7
59.01386	18.1
69.26965	69.7
69.27394	32.0
78.95895	29.3
85.89934	12.1
122.09953	10.8
131.11299	8.8
143.02699	9.1
173.63411	8.9
187.51064	9.5
197.02121	19.8
277.21680	100.0
278.22144	13.9
279.23260	59.1
311.17673	10.8
322.50650	10.2
475.35046	9.4
476.28101	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14799	0.7
57.03449	15.9
58.00592	0.8
59.01381	100.0
61.26548	0.7
61.98829	5.3
70.57659	1.4
70.58020	1.0
71.01385	16.5
72.99306	1.2
73.02960	3.4
83.01398	2.2
85.02949	4.3
87.00880	1.8
89.02444	14.1
93.03471	6.9
93.04031	0.9
95.01424	1.2
98.19913	1.0
99.04526	12.0
101.02457	11.2
103.01942	2.3
103.43154	0.7
108.81596	0.7
113.02448	9.1
119.03616	6.0
119.05027	31.0
120.05382	0.9
121.70243	0.8
122.60477	0.7
124.24049	0.9
125.02452	6.5
131.01389	12.3
131.03474	1.4
143.03548	2.1
145.02980	1.0
149.04547	1.0
161.02481	1.8
161.04553	6.5
165.35370	0.8
166.05124	6.3
167.05502	2.7
175.00363	42.8
176.00702	1.7
176.13966	0.8
179.03490	1.4
179.05647	4.3
189.01933	1.4
193.01517	1.4
201.01906	1.8
217.01498	1.2
295.06104	56.4
296.06427	5.0
313.07281	0.9
331.17722	2.1
337.07159	1.3
373.19113	0.7
415.10416	4.0
415.23337	5.6
467.28433	0.8
475.12274	1.1
475.26126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.21100	0.3
57.03443	1.5
58.00581	0.6
59.01379	100.0
60.01728	1.0
61.98838	2.3
69.03470	1.8
71.01383	19.4
71.05025	0.6
71.56918	0.7
72.01724	0.5
72.99320	1.0
73.02949	8.9
75.00892	0.7
78.88130	0.4
79.01892	0.8
83.01386	3.0
83.04975	0.4
85.02949	5.1
87.00885	1.6
87.04536	2.1
88.98815	1.5
89.02448	9.0
89.70119	0.4
95.01397	1.5
97.02977	1.0
99.00890	1.3
101.02442	12.9
103.04060	0.5
107.01365	2.0
109.07813	0.3
113.02449	10.2
119.03486	4.0
123.00945	0.6
125.02463	1.5
131.03519	1.3
135.00885	4.5
143.03510	2.2
144.70419	0.4
149.04588	0.8
151.00453	0.6
159.03017	0.4
161.04576	5.4
163.06143	0.7
165.13034	0.4
166.02722	1.9
167.03494	7.6
175.02531	0.4
179.05568	2.6
183.13956	1.7
235.17093	1.1
253.18103	0.8
271.19125	2.0
313.13116	0.3
415.23489	1.6
433.24500	1.1
475.14441	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	475.3429
Annotation	Oogoniol
Peak:m/z	Relative Intensity
59.01363	1.7
61.98816	0.9
69.21392	0.7
69.21793	3.7
71.05019	3.9
73.68056	0.4
78.95902	7.6
87.04515	0.5
96.96998	0.5
101.02406	0.5
107.16167	0.5
119.15709	0.4
121.06577	0.5
127.53481	0.4
129.32375	0.4
134.04750	0.6
152.99596	1.8
171.00613	1.6
217.17548	0.4
239.20183	9.1
240.20374	0.7
253.09270	1.0
279.23270	13.1
381.27997	0.5
389.30762	0.7
393.28116	0.9
395.29187	2.6
397.31143	4.8
398.31598	0.5
409.26389	0.5
409.31131	2.5
411.32803	6.9
412.33145	0.7
413.34250	31.1
414.34573	4.5
427.32095	1.8
431.35406	4.9
432.35873	0.7
445.33234	19.9
446.33667	2.6
457.32877	2.5
475.34241	100.0
476.27759	4.9
476.34592	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
71.03891	0.8
71.04238	0.6
78.95910	9.5
84.48133	0.4
89.33601	0.4
140.01224	2.2
152.99559	1.5
171.00653	0.9
196.03732	1.5
214.04855	2.4
228.26912	0.4
261.22244	0.5
279.23282	100.0
280.23599	8.7
476.27774	8.8
477.28302	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
59.01371	0.6
62.96402	0.6
70.87630	0.6
70.87978	1.0
74.86794	0.4
78.95902	27.4
101.26308	0.4
122.00140	0.7
122.39117	0.4
140.01190	5.0
152.99606	3.1
171.00603	1.3
196.03804	10.5
214.04831	1.7
220.21849	0.5
221.53731	0.5
279.23276	100.0
280.23593	10.5
310.58752	0.4
312.61066	0.5
406.92511	0.5
475.31812	0.5
476.27795	27.5
477.28238	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	476.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96413	0.4
69.52444	1.5
75.19650	0.3
78.95904	100.0
89.25445	0.2
90.63795	0.3
96.96964	8.1
120.74276	0.3
140.01120	0.3
151.54105	0.3
152.99586	15.7
165.22604	0.2
171.00636	17.6
198.10767	0.3
214.04745	0.5
279.23337	0.8
384.22910	0.3
385.66306	0.3
402.24158	1.6
476.27823	53.5
477.28131	6.5
477.34839	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35218	1.1
61.98831	100.0
69.42019	9.4
77.07358	1.1
98.20641	2.9
119.22188	1.3
125.23113	1.1
336.67874	1.4
477.35501	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1039
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
54.26020	0.4
59.01377	3.2
61.98817	0.5
63.02355	0.4
63.79171	0.4
66.66795	0.4
69.43644	3.3
71.01369	1.5
73.02934	1.1
79.30767	0.4
85.02943	1.4
89.02451	0.5
98.19884	0.7
101.02397	1.9
104.24718	0.4
107.01389	1.1
113.02458	1.1
117.78169	0.3
122.62531	0.4
124.22980	0.3
125.02451	0.6
132.08505	0.4
151.00357	2.8
161.04474	1.2
161.05724	0.4
163.00410	0.6
163.06091	0.5
171.04561	0.5
178.99823	0.4
184.07904	0.4
199.04010	3.8
201.01927	1.4
203.03516	0.9
215.03464	4.2
225.02022	0.7
226.02699	1.2
227.03508	3.7
229.01360	0.9
242.02184	10.1
242.04608	0.6
243.02972	42.0
244.03296	2.9
246.64539	0.4
255.02974	1.1
257.04544	11.0
258.05005	0.9
270.01666	9.9
271.02460	42.4
272.02899	3.0
285.04031	23.6
286.04767	7.7
287.05127	0.6
299.02008	9.5
300.02664	5.8
314.04315	43.8
315.04968	10.4
316.05475	0.8
331.17688	1.1
357.06210	1.1
367.33878	0.4
368.83490	0.4
477.10358	100.0
477.23584	2.4
478.10730	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	477.125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.7
59.01363	5.9
61.98830	6.9
65.00307	2.7
69.86517	1.3
70.01721	2.5
70.02134	4.8
71.01389	7.9
73.02917	2.0
75.00864	2.3
78.95890	1.9
81.03480	3.9
83.01388	9.9
84.92574	1.4
85.02958	3.8
89.02444	4.0
93.03419	1.8
93.56149	1.3
94.01369	1.2
94.30167	1.3
94.33970	1.4
95.05016	1.9
96.96028	9.9
96.96957	2.7
97.02927	2.1
99.00883	3.9
101.02457	2.8
107.01394	3.5
107.05048	1.9
108.02184	2.2
109.02943	3.3
111.00873	1.5
111.04561	1.9
113.02489	2.5
118.98062	2.7
119.03510	1.7
119.05012	1.6
119.21722	1.4
123.04512	7.9
124.01685	2.5
125.02451	29.4
135.02995	5.4
135.04500	6.2
137.02467	4.0
137.06090	5.3
139.03983	4.2
143.64107	1.4
149.02351	1.8
149.06056	3.5
149.99588	1.8
151.00377	20.6
151.04007	5.2
153.01903	3.2
153.05571	6.3
161.02348	1.6
161.06149	1.3
163.03992	2.9
164.04781	2.1
165.01913	3.1
167.03465	13.1
168.00629	5.9
169.01416	3.2
177.05522	7.6
179.03487	9.4
179.05711	2.1
181.05063	4.5
191.03452	3.8
193.01360	1.9
193.05078	13.0
195.03003	3.3
195.06650	1.8
205.01353	3.2
205.04970	2.8
206.02243	4.1
207.03012	9.8
209.04553	13.8
213.04234	1.6
217.05034	1.6
219.02943	4.0
220.03590	2.8
221.04555	26.6
222.04901	2.7
225.03946	1.8
233.04533	2.9
234.05017	1.6
235.06033	1.8
237.04100	10.0
238.04454	1.5
239.05606	4.3
249.04024	47.3
250.04437	3.7
251.05615	10.2
256.97321	1.3
261.03998	5.0
263.05771	1.6
265.03491	1.8
267.05093	43.4
268.05524	3.4
279.05115	26.0
280.05270	1.9
291.05099	1.9
297.06152	14.8
309.06302	2.4
315.10931	1.5
321.99976	1.4
334.06088	1.3
339.07239	5.3
341.10965	1.9
351.07175	2.0
357.08276	17.3
358.08676	3.0
369.08203	10.4
387.09308	35.1
388.09824	3.2
459.11612	8.7
477.12479	100.0
478.12701	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	477.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98832	100.0
63.24676	0.6
69.61395	3.6
71.01393	1.1
78.95948	0.7
85.02951	1.5
89.02451	1.0
96.95990	1.7
98.19877	1.0
98.73934	0.7
113.02416	0.8
117.05625	0.8
149.02466	1.2
150.03242	1.1
153.01930	1.7
154.02805	1.0
161.04597	0.8
163.24232	0.7
165.05585	1.2
166.02710	0.8
169.05060	1.9
170.11841	0.8
178.83179	0.7
195.06845	0.9
217.58601	0.7
301.87408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.3
57.03441	2.0
58.00590	0.9
59.01100	1.4
59.01381	24.3
61.98834	11.0
68.99826	1.3
69.03451	1.4
69.24149	8.9
71.00999	1.3
71.01382	18.7
72.99298	1.6
73.02953	8.0
81.03458	7.6
83.01374	9.3
83.04982	0.9
85.02943	9.5
87.00895	4.1
89.02455	8.7
93.03461	4.8
95.01387	3.1
95.05047	4.3
97.02943	3.3
98.19830	2.0
99.00855	2.4
99.04489	2.3
101.02444	13.5
103.04010	2.4
107.05054	1.1
109.02946	2.6
111.04505	1.7
113.02451	8.8
115.00349	1.4
119.03489	3.5
119.05025	8.1
121.02922	2.9
121.06590	1.7
123.00903	1.1
123.04525	16.6
125.02479	5.4
131.03519	1.6
135.04485	3.7
137.02417	2.5
137.06087	6.0
139.04021	8.3
141.05551	0.9
143.03447	2.1
145.02930	1.5
147.04497	3.9
147.99464	0.8
149.02496	1.3
151.00433	1.0
151.03987	2.8
161.04520	9.8
161.06059	2.8
163.03995	3.5
163.06078	3.9
163.07538	1.4
164.04758	1.2
165.01921	2.6
165.05530	6.5
166.02716	1.7
167.02156	1.4
167.03499	21.1
175.02454	3.8
175.03906	1.4
177.05562	1.1
179.03455	5.4
179.05658	0.9
179.07129	2.0
181.05057	3.0
189.05559	6.9
190.02632	1.0
191.03452	1.4
193.05020	2.6
195.06529	1.1
197.04485	1.1
205.05081	1.9
205.07059	1.9
207.02972	1.2
209.04553	28.4
210.04839	1.7
221.04541	2.7
223.06233	0.9
229.08554	1.1
239.05539	6.2
251.05646	4.5
263.05551	1.7
290.16125	1.1
301.03577	0.9
315.05475	1.0
315.08759	9.9
316.09244	1.0
327.08752	4.4
331.17633	9.5
357.09790	100.0
358.10181	7.5
369.09406	1.7
387.10843	41.1
388.11130	5.0
399.10767	1.8
441.17661	1.6
459.12839	3.2
477.13922	4.4
477.23187	16.1
478.23517	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.0
59.01374	17.5
61.98824	6.5
63.11832	2.5
71.01381	16.4
71.56214	3.7
73.02962	2.9
77.76206	2.2
83.04966	2.4
85.02950	10.3
86.52641	2.2
91.05534	22.9
93.03461	3.6
99.00858	2.9
99.04492	3.6
101.02422	10.2
108.02156	17.2
108.63488	2.8
109.02931	14.2
113.02452	8.0
115.05547	22.2
117.03462	10.6
117.07114	35.5
119.05004	6.1
127.07602	2.3
133.06596	37.8
135.04578	2.7
143.05040	4.9
145.02934	25.3
151.04057	3.9
156.14282	2.4
161.04573	23.3
161.06062	100.0
162.06378	6.3
163.04012	24.4
164.04419	2.4
165.05568	52.0
175.09361	2.4
187.04008	88.2
188.04395	5.8
188.07236	2.2
189.63531	2.5
205.05098	14.3
234.19815	2.5
271.08118	10.4
296.90686	2.5
343.70071	2.9
454.67944	2.8
477.21167	20.5
477.28482	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	477.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35399	0.2
55.01878	1.1
57.03448	2.6
58.00600	1.5
59.01382	27.1
61.98840	2.7
65.00288	0.3
65.03975	0.5
67.01881	0.7
68.99821	1.8
69.03455	1.8
71.01385	16.3
71.05013	0.6
72.99319	1.8
73.02951	7.7
75.00875	0.5
79.01894	0.3
80.02673	0.3
81.03461	14.8
82.03785	0.2
83.01390	10.9
83.05048	0.8
85.02953	8.8
86.00094	0.8
86.03317	0.3
87.00881	5.1
87.04507	1.7
88.01163	0.2
89.02448	11.2
90.02743	0.3
91.05553	0.3
93.03465	6.6
95.01386	2.8
95.05029	8.3
96.05373	0.3
97.02950	5.2
99.00896	1.3
99.04520	7.7
99.05173	0.5
99.41557	0.3
101.02449	16.1
103.04015	4.6
105.03474	0.5
107.01393	0.9
107.05030	2.6
108.02183	1.3
109.02969	4.0
109.06580	1.1
111.00874	1.0
111.04510	3.1
113.02451	6.3
115.04029	2.5
117.03520	0.3
119.03523	6.3
119.05020	9.9
120.78454	0.3
121.02964	5.9
121.06600	1.5
122.03727	1.1
123.00935	1.4
123.04528	22.0
124.01709	0.5
124.04852	0.5
125.02451	18.9
125.06084	0.4
126.02769	0.4
127.03995	0.8
131.03494	4.3
133.02960	0.9
133.06584	1.1
134.03690	0.3
135.00894	1.0
135.04530	5.2
136.05330	0.5
137.02452	5.8
137.06096	8.6
137.07153	0.4
138.03197	0.6
138.06453	0.6
139.04018	12.3
140.04390	0.5
141.05562	0.8
143.03497	5.7
145.02940	0.9
145.05086	2.0
145.06641	0.5
146.03723	0.3
147.04535	4.1
149.02441	1.7
149.06090	1.7
150.03235	0.6
151.00453	0.5
151.04005	4.2
151.07654	0.8
153.05594	1.7
159.04536	0.6
161.02515	1.8
161.04561	4.0
161.06076	2.7
163.04057	4.4
163.06129	14.3
163.07596	1.2
164.01161	0.3
164.04741	1.2
164.06317	0.3
165.01929	4.0
165.05577	8.0
166.02727	1.9
166.05965	0.3
167.03496	56.2
168.03844	2.1
170.02303	0.2
171.04523	0.4
173.06070	0.5
175.03992	0.7
177.01909	0.5
177.05609	1.9
178.02795	0.4
179.03514	6.3
179.05569	0.8
179.07010	1.8
180.04253	1.0
181.05052	2.9
182.05350	0.3
187.04027	0.5
187.07610	0.4
189.01976	0.3
189.05573	8.4
190.05978	0.3
191.03517	1.9
191.07091	0.9
193.01456	0.4
193.05037	3.6
195.06618	0.5
197.04559	8.9
198.04880	0.4
201.05460	0.3
203.03619	0.5
203.07176	0.3
205.01544	0.6
205.05156	0.7
205.07155	10.3
206.02156	0.4
207.02992	0.7
207.06641	2.0
209.04547	34.8
210.04916	1.8
219.03000	0.7
219.06583	0.4
220.03627	0.4
221.04556	5.2
223.06139	1.3
229.08676	1.5
231.06294	0.4
233.04611	1.3
235.06075	1.0
239.05592	8.9
240.05919	0.4
247.08112	3.5
248.03322	0.3
249.04063	0.4
251.05608	4.0
251.08026	0.4
255.06621	0.4
263.05566	1.7
269.06726	0.8
273.07736	0.9
275.05746	0.3
281.06693	0.9
285.07751	0.6
287.07675	2.5
314.08069	0.4
315.08752	16.3
316.09097	1.1
323.07629	0.3
327.08722	6.7
328.09082	0.8
329.10284	0.6
331.17636	3.4
339.08514	0.5
341.10178	1.1
354.07098	0.4
355.08246	0.6
357.09784	100.0
358.10129	10.0
369.09744	2.7
370.10037	0.3
371.11472	0.4
381.10046	0.3
387.10849	60.2
388.11163	6.4
399.10718	2.2
403.12427	0.3
417.11685	0.6
441.11899	0.7
459.12924	3.0
460.13165	0.5
477.14035	7.3
477.23416	4.1
478.14294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01159	1.1
53.01374	3.1
55.01878	4.8
57.03449	14.6
58.00590	3.5
58.99072	1.1
59.01381	77.9
60.01707	3.4
61.01807	1.6
61.98829	86.3
63.02409	1.3
68.99820	1.2
69.03452	1.9
69.24464	6.4
69.24889	4.4
71.01383	100.0
72.99315	4.9
73.02944	36.4
75.00899	2.1
81.03475	1.9
83.01384	15.1
85.02952	56.5
87.00881	6.6
89.02444	21.8
91.01934	1.1
91.05524	8.5
95.01397	8.1
97.02942	3.5
99.00869	11.8
99.04511	7.9
100.04893	1.8
101.02443	59.6
103.04002	5.0
107.01397	2.9
108.02175	16.3
109.02961	16.3
110.03204	1.2
113.02448	42.9
115.00470	1.2
115.03980	2.7
115.05526	15.8
117.03449	5.2
117.07100	14.9
119.01370	2.6
119.03486	7.9
119.05022	2.9
121.02954	2.7
121.20055	1.2
123.00840	3.2
123.04519	1.9
124.01704	1.3
125.02457	17.5
126.02789	2.1
129.01884	1.5
131.03471	3.3
133.06606	7.5
135.04503	3.6
137.02452	1.7
139.00322	1.4
143.03505	7.0
143.05046	2.6
145.02962	16.1
147.00905	2.4
149.02420	7.0
151.00339	8.9
152.01204	1.6
153.01953	1.3
159.03017	8.4
160.01645	1.6
161.04547	68.0
161.06058	37.3
161.07391	2.0
162.04903	2.0
162.06369	2.0
163.03990	7.3
163.06096	5.1
164.04794	4.1
167.03470	1.7
168.00615	3.7
175.00381	14.2
175.03873	1.6
176.01120	3.4
179.05565	2.6
187.04010	40.7
188.04350	2.8
190.02724	35.6
191.03397	7.0
205.05087	41.6
205.07098	4.8
206.05472	2.3
210.48978	1.2
223.06126	3.2
227.03494	8.2
233.10385	1.7
243.02931	3.0
255.02925	9.0
256.03702	2.2
257.04483	1.7
271.02435	11.6
271.08249	3.8
272.02817	1.8
283.02499	2.1
284.03235	7.9
285.04095	10.1
287.05576	2.9
299.01965	9.9
300.02704	3.5
301.03442	2.7
307.08008	1.8
313.03613	1.3
314.04211	8.0
315.05075	11.7
315.08664	3.0
321.13062	1.2
331.17606	53.1
332.17923	2.7
367.10379	8.8
395.15576	1.7
445.07623	1.7
477.10172	27.6
477.14380	18.8
477.23376	89.6
478.10123	1.6
478.15173	1.8
478.23801	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	477.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57280	0.7
55.01873	2.0
57.03436	2.4
58.00587	1.6
59.01377	41.3
59.28003	0.7
60.01694	1.1
61.98825	14.1
69.33762	2.8
69.34187	4.2
71.01385	41.7
71.05041	0.9
72.99296	2.7
73.02943	14.8
75.00855	1.1
83.01379	5.4
85.02949	21.6
86.00075	1.0
87.00880	5.1
87.04532	0.9
88.82508	0.8
89.02440	14.9
90.02792	0.8
95.01389	5.1
97.02965	1.7
99.00919	4.3
99.28473	1.0
101.02438	28.9
101.03098	1.8
103.03986	5.0
109.02923	1.2
111.00887	0.9
113.01683	1.6
113.02446	16.4
115.00359	0.8
115.03987	2.1
117.03492	1.3
119.03519	6.9
119.05006	1.9
123.00887	30.7
123.04538	1.0
124.01666	25.3
125.02394	2.7
126.99603	0.8
131.03476	2.3
132.01219	1.4
132.02176	20.7
133.02985	5.1
134.03748	18.5
135.04495	3.0
137.02391	2.5
138.03253	11.2
138.77477	0.9
139.04015	13.2
143.03526	6.7
145.05067	1.5
149.02385	1.1
149.06038	2.9
159.02963	3.0
160.01654	95.2
161.02464	22.2
161.04535	18.7
161.05923	0.9
163.06126	7.5
167.03459	1.0
175.03990	100.0
176.04451	4.2
177.05556	1.3
178.02589	1.2
179.03462	3.2
179.05573	0.9
187.03975	0.9
193.05055	17.8
194.05403	0.8
205.07143	6.9
206.07426	0.9
217.04982	1.2
221.04538	1.5
229.08549	1.1
247.08270	1.6
271.02307	1.0
295.06107	1.2
297.06610	2.4
313.16580	1.1
323.07782	8.7
324.07962	1.1
331.17596	25.7
332.18079	2.5
337.09235	29.2
338.09729	2.5
477.13956	74.8
477.23331	43.4
478.14304	8.9
478.23801	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	477.1556
Annotation	Agastenol
Peak:m/z	Relative Intensity
50.51161	0.3
56.55579	0.4
59.01378	6.8
61.98810	0.6
70.02904	1.8
70.83333	0.4
80.56715	0.3
91.45402	0.4
93.03460	5.2
98.20577	0.4
107.05023	0.5
108.80246	0.3
110.46106	0.4
113.02522	0.5
119.05029	0.8
121.06602	7.5
138.77412	0.4
151.22386	0.4
165.05569	100.0
166.05899	4.5
209.11884	0.5
309.20370	0.6
449.10791	0.3
477.15625	15.8
478.16019	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04506	0.5
57.84404	0.4
59.01377	14.0
61.98837	0.8
63.26679	0.4
69.24173	3.5
69.24586	0.9
71.01379	2.5
73.02935	2.4
81.03436	0.4
83.01415	0.4
85.02967	0.7
89.02445	0.4
97.02939	0.6
101.02458	2.3
113.02424	0.5
115.15441	0.5
119.03491	0.5
125.02457	0.9
127.07651	100.0
128.08005	2.8
153.05675	0.5
161.04533	0.6
171.06625	63.1
172.06903	2.2
173.04683	0.5
204.40483	0.4
243.90782	0.4
255.06499	0.6
382.34079	0.5
391.16086	1.3
477.16168	6.3
477.23148	1.1
478.16095	1.0
500.36658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16941	0.4
53.23309	0.4
57.03445	0.9
59.01384	3.8
59.15737	0.4
61.98828	2.4
65.62689	0.4
71.01366	1.6
73.02956	0.6
83.01378	0.5
83.05035	2.3
85.02946	1.5
89.02435	0.6
93.03428	0.7
94.06629	0.8
97.06595	0.4
101.02452	1.2
101.65776	0.4
103.21632	0.3
107.03785	2.9
109.06633	0.4
113.02441	1.1
119.03532	0.5
119.05014	0.5
121.06602	0.5
122.06125	19.0
123.06406	0.5
124.07659	0.5
127.91564	0.4
130.02985	4.3
134.06122	0.6
135.08191	0.5
137.09740	1.0
139.02710	0.7
145.02975	0.8
146.02449	0.5
152.07172	38.8
153.07516	1.8
160.04039	0.5
161.04572	1.2
162.05603	0.8
174.01964	30.2
175.02338	1.5
175.03871	0.5
186.02003	3.2
187.02696	1.0
206.04500	0.4
236.07178	0.4
268.09790	1.2
281.09317	1.4
311.10349	9.8
312.10654	0.9
339.09845	100.0
340.10165	9.7
477.16876	5.1
477.23102	0.7
477.29205	1.1
478.17102	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11662	0.5
55.01881	3.7
57.03448	3.5
58.00583	2.3
59.01382	49.9
69.03448	1.3
69.34716	2.0
69.35118	2.6
71.01385	58.0
72.99326	2.9
73.02950	24.3
75.00874	0.7
81.35089	0.5
83.01391	10.6
85.02954	34.8
86.00079	1.4
87.00872	5.2
87.04510	1.4
89.02444	11.5
95.01395	4.2
97.02940	1.9
99.00886	9.2
101.02449	41.4
101.11240	0.5
102.02766	1.0
103.04018	6.4
111.00879	0.9
113.02458	26.5
113.03258	1.4
115.03999	2.2
115.14153	0.5
119.03514	3.3
122.35240	0.6
125.02430	2.0
129.01958	0.9
131.03511	2.1
142.32742	0.6
143.03484	5.5
145.05038	1.3
154.10193	0.5
159.02982	4.8
161.04561	38.6
162.04898	0.7
163.06084	3.5
205.07108	3.5
313.16434	1.9
331.17612	47.0
332.18033	4.2
357.09726	1.1
477.23407	100.0
478.23709	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	477.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59507	0.7
55.01876	7.2
57.03455	5.7
58.00589	1.9
59.01381	48.8
61.98584	0.7
61.98830	9.7
69.03449	1.4
69.43520	6.6
71.01382	86.7
72.01724	1.3
72.99302	2.2
73.02948	31.5
75.00870	1.5
81.55359	0.8
83.01390	11.3
85.02952	47.7
86.00073	0.7
86.03296	1.0
87.00875	5.1
87.04479	1.1
89.02445	13.2
95.01389	8.0
97.02947	1.9
99.00880	12.7
99.04544	1.0
101.02444	58.8
102.02740	1.2
103.04011	5.1
111.00858	1.3
113.02454	38.6
115.04017	2.0
119.03525	4.9
125.02439	2.5
127.03961	0.9
129.01930	1.1
131.03473	2.2
143.03543	5.6
145.05064	1.4
159.02982	8.8
161.04558	63.8
162.04842	1.9
163.06107	3.0
181.93179	0.9
205.03545	1.1
205.07164	2.0
242.02103	0.9
243.02986	2.6
257.04300	1.2
270.01724	0.9
271.02353	3.9
281.23062	0.8
285.03986	0.8
299.01907	0.9
314.04230	2.7
316.56467	0.8
331.17615	51.3
332.18073	4.4
477.11420	5.9
477.23392	100.0
478.10529	0.9
478.23764	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	477.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94659	0.7
51.53379	0.6
55.01880	3.4
57.03440	3.0
58.00599	2.2
59.01382	100.0
60.01726	1.1
61.98832	17.3
66.01804	0.6
67.68701	0.7
69.03436	0.9
70.18859	1.5
71.01385	57.6
72.01738	1.1
72.99316	2.4
73.02945	16.5
75.00897	0.7
77.23038	0.7
81.03457	0.8
83.01389	6.8
85.02954	24.1
87.00876	5.1
87.04533	0.7
89.02446	26.4
95.01385	4.8
97.00334	0.6
97.02937	2.2
98.15937	0.6
99.00887	7.0
99.04538	1.0
101.02449	35.7
103.04014	3.7
104.73649	0.7
107.05080	0.9
111.00857	1.0
111.03921	0.7
113.02451	23.7
115.03998	1.1
119.03505	13.2
123.04553	1.0
125.02449	2.9
129.01949	1.2
131.03506	2.8
139.03970	0.8
143.03511	5.9
147.04538	0.7
149.04590	1.0
159.02986	4.5
161.04561	36.4
162.04843	0.7
163.06114	2.9
165.05524	0.9
167.03482	2.3
179.03474	0.9
179.04198	0.7
179.05635	5.4
205.07199	2.2
209.04556	1.2
239.05583	1.1
315.08755	2.3
331.17615	23.5
332.18021	2.9
357.09756	1.9
360.77414	0.7
387.10892	10.7
388.11191	0.9
417.24942	16.4
418.25330	1.9
457.14862	0.8
477.23428	39.3
478.23895	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.2
57.03452	5.9
58.00590	2.8
59.01381	88.7
60.01693	1.2
61.98831	7.6
69.03448	3.6
69.25175	7.5
71.01383	100.0
71.05032	1.2
72.01713	2.2
72.99310	6.2
73.02950	34.4
75.00871	2.6
81.03457	10.7
83.01383	15.5
84.02187	1.3
85.02953	47.8
86.00093	1.1
86.03281	1.4
87.00880	12.8
87.04503	3.8
89.02446	44.4
93.03415	1.3
95.01380	7.2
95.05025	4.0
97.02959	7.5
98.20621	1.8
99.00877	13.6
99.04524	10.1
101.02444	74.5
103.04024	10.6
108.02187	1.2
111.00884	1.8
111.04533	1.7
113.02451	46.4
114.02788	2.1
115.04034	4.5
119.03510	19.6
119.04891	1.2
123.04534	5.3
125.02445	31.6
126.02735	1.0
127.04024	1.0
129.01971	2.0
131.03490	8.0
135.00896	0.9
137.02466	4.7
139.04008	3.0
143.03487	13.3
145.05031	4.0
149.02473	1.1
152.01193	0.9
159.02997	8.6
161.04556	63.9
162.04904	2.2
163.04102	1.0
163.06126	18.0
167.03491	72.6
168.03876	2.2
175.02495	1.7
179.03477	2.5
179.05617	3.6
187.68622	0.9
189.05481	1.1
197.04524	15.9
198.04987	0.9
200.84851	0.9
205.03609	1.3
205.07135	13.6
211.74101	0.8
228.45502	0.9
232.33632	0.8
247.08223	3.0
253.14386	1.1
268.00424	0.8
287.07611	4.7
313.16638	1.3
315.07803	1.1
331.17609	57.2
332.18036	6.0
348.51996	0.9
357.09729	13.4
387.10919	2.5
477.13913	2.3
477.23425	57.9
478.23666	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	477.234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.0
56.20169	0.5
57.03445	5.0
58.00591	4.6
59.01378	100.0
60.01712	1.2
61.98828	6.3
69.03455	2.1
69.30457	4.2
71.01380	88.2
71.05036	0.6
72.01725	1.2
72.99307	5.8
73.02947	31.1
75.00874	1.9
81.03460	1.0
83.01382	9.9
83.05022	1.1
84.02181	0.6
85.02948	43.6
86.00089	3.6
86.03297	1.2
87.00326	0.7
87.00873	18.7
87.04515	4.0
89.02444	44.0
90.02782	0.6
93.03462	0.9
93.87634	0.5
95.01384	7.9
96.06342	0.4
97.02955	2.8
98.17653	0.6
99.00884	7.7
99.04527	1.1
101.02441	63.7
102.02750	1.2
103.04008	11.6
111.00870	0.9
113.02448	44.3
114.02760	0.5
115.04013	5.7
119.03502	19.8
119.04935	0.8
125.02464	3.6
127.03992	1.4
129.01924	1.7
131.01450	0.6
131.03499	21.3
135.87769	0.4
143.03497	20.6
144.03845	0.7
145.05046	3.3
149.02408	2.5
149.04510	0.7
151.11295	2.2
159.02982	5.4
161.04553	41.4
162.04903	0.8
163.06116	16.4
164.69768	0.5
175.00313	1.1
179.05632	6.0
180.05852	0.5
189.05681	0.7
189.77899	0.5
191.03502	13.0
203.03540	0.8
205.03419	0.7
205.07153	21.4
206.07536	1.1
221.06648	24.1
222.07007	1.0
233.04451	1.5
247.08197	3.3
265.14462	0.5
271.02448	0.5
275.04449	0.5
297.07669	9.6
298.08014	1.0
313.16599	1.4
327.08975	0.5
331.17596	38.2
332.18015	3.2
339.08792	3.4
348.95670	0.5
357.09778	0.5
367.12402	6.2
417.11749	0.6
417.25034	1.0
434.35535	0.4
437.68539	0.5
453.00388	0.5
459.22641	0.8
477.23364	39.6
478.23718	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	477.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.9
57.03444	6.2
58.00589	4.0
59.01381	93.2
60.41559	1.6
61.02615	1.7
61.98827	16.9
69.31902	9.4
69.32314	3.1
71.01384	100.0
72.99317	5.5
73.02945	25.7
75.00861	2.4
83.01385	13.7
85.02949	44.2
87.00880	12.7
89.02447	61.0
93.56502	1.3
95.01399	7.9
96.34541	1.5
97.02937	2.8
99.00877	9.8
101.02442	72.7
101.56680	1.6
102.02856	2.3
113.02451	52.7
119.03511	29.5
125.02453	3.7
129.01967	2.6
131.03490	13.1
143.03485	8.7
149.04552	3.1
159.02982	6.7
161.04553	41.4
162.04840	1.9
172.49515	1.7
177.23376	1.7
179.05600	40.4
221.06664	57.2
222.07007	2.4
263.07730	7.9
313.24863	1.9
435.22043	2.7
477.23517	22.9
478.24008	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	477.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51623	3.0
54.84786	3.2
63.54353	3.2
71.03448	4.3
71.03786	4.3
78.95907	100.0
88.04432	3.3
96.96993	9.2
100.80167	3.6
142.21217	4.0
150.10899	4.1
152.99573	17.4
160.45624	3.2
171.00655	20.7
197.02173	6.2
279.23288	57.6
279.26285	3.8
280.23602	4.7
331.61017	3.7
353.21970	3.2
478.29367	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.2
56.08037	0.6
57.03451	2.3
58.00597	2.0
59.01379	100.0
60.01713	0.7
61.98830	24.8
66.82285	0.5
69.03470	0.9
71.01379	51.1
72.01743	0.6
72.66631	0.6
72.99303	2.5
73.02942	12.4
75.00861	0.9
83.01379	6.3
85.02949	22.2
86.00078	0.7
87.00890	3.2
87.04509	1.9
89.02443	26.0
95.01373	4.5
97.02975	0.8
99.00872	6.2
101.02442	32.8
103.04005	2.4
111.00920	1.0
113.02448	21.8
115.04025	1.6
115.44111	0.6
119.03507	13.0
123.04511	0.8
125.02445	2.6
129.01955	0.9
129.40860	0.6
131.03488	1.8
143.03499	4.9
145.05119	1.3
159.02995	4.5
161.04549	30.1
162.04961	1.1
163.06136	2.9
167.03522	1.8
175.03946	0.7
179.05621	5.3
205.07152	2.4
209.04494	0.7
209.12016	0.7
244.09883	0.6
264.56223	0.7
315.08899	1.1
331.17599	15.8
331.21259	1.2
332.17950	1.8
357.09918	0.9
387.10779	4.9
417.24930	15.9
418.25415	1.8
477.23453	30.6
478.23682	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70756	0.9
54.84764	0.8
59.01379	100.0
61.98824	1.9
68.52197	0.9
70.16239	0.8
70.24318	1.7
70.24711	1.9
71.01394	2.6
84.26740	0.8
85.02953	1.8
85.80957	1.0
87.04518	2.9
88.06765	1.0
89.02464	2.3
101.02458	3.3
101.06220	0.9
113.02496	4.4
119.03498	1.6
125.02458	4.1
132.29739	0.8
156.52097	1.0
161.04587	2.4
255.23280	95.7
256.23636	7.5
269.24841	3.3
297.24362	1.6
352.12061	0.9
459.44312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.9
57.03445	0.4
58.00591	0.6
59.01379	9.4
61.98814	0.5
69.43986	1.8
71.00999	0.5
71.01382	7.9
72.99318	0.8
73.02950	2.0
83.01385	1.6
85.02953	3.6
87.00903	0.9
89.02443	3.5
95.01402	0.6
97.45705	0.2
99.00912	0.6
101.02444	4.3
111.00883	0.9
112.01697	0.3
113.02494	1.8
117.03444	0.4
119.03507	0.5
119.04963	0.3
125.02411	0.3
133.06653	0.3
139.11256	0.3
145.02927	0.8
157.18987	0.3
161.04594	0.3
161.06041	0.6
175.60448	0.3
187.04036	0.4
206.64578	0.3
215.06142	0.3
241.05148	0.5
242.05315	0.9
243.05670	0.7
256.07370	0.9
257.07758	0.9
258.07935	1.0
271.09769	1.2
272.10110	1.5
273.10410	2.0
297.24341	3.2
313.23840	1.0
315.25366	20.3
316.25858	1.7
316.29074	0.4
357.26395	0.7
459.29456	2.7
477.30670	100.0
478.30994	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	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
60.78182	0.4
61.98828	100.0
79.91402	0.4
88.98846	0.4
89.02425	0.5
95.80244	0.4
96.32578	0.4
271.02405	1.1
299.02075	1.2
364.23712	0.4
413.03659	0.5
479.89261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
61.98831	100.0
70.38863	1.7
71.01382	0.7
75.00912	0.5
78.95880	0.5
89.02502	0.7
98.19959	0.6
100.38322	0.4
101.02433	0.7
104.13850	0.4
109.72825	0.5
128.03546	1.1
273.76212	0.5
321.84195	0.5
326.52295	0.5
361.85559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84673	0.4
59.01379	4.8
61.98830	100.0
65.68678	0.4
69.42685	3.4
71.01394	1.8
73.02953	1.0
80.35833	0.4
85.02969	1.1
87.00884	0.9
89.02435	0.5
89.18349	0.4
98.19909	0.7
101.02438	1.2
113.02502	0.7
115.00362	1.2
139.04102	0.4
145.03067	0.5
161.04576	1.0
175.02550	1.5
275.01752	0.4
333.19293	0.7
411.75299	0.5
455.00110	0.5
479.24719	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.7
61.98831	100.0
67.12007	0.5
69.24238	5.4
71.01395	2.6
73.02945	0.9
85.02961	1.5
87.00889	0.8
89.02443	1.2
98.20627	1.2
101.02438	2.7
106.06644	2.3
113.02477	1.1
119.03529	0.8
123.00885	0.6
150.05605	3.2
161.04591	1.3
163.06212	0.6
169.36047	0.5
175.02516	0.7
185.83469	0.7
205.07179	0.6
358.10074	1.3
388.11359	2.0
478.13580	0.6
478.23871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.3
61.98830	100.0
71.01379	1.8
73.02948	1.2
79.50862	0.8
85.02935	1.6
88.98824	0.6
89.02449	1.0
98.20654	1.7
100.10361	0.6
101.02468	1.1
113.02492	0.7
137.24432	0.6
161.04596	1.4
171.74530	0.6
217.34776	0.6
229.33850	0.7
229.55388	0.6
240.47487	0.7
369.72464	0.7
418.25150	1.7
436.22476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2936
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
56.01551	0.3
56.45061	0.3
67.49557	0.3
69.28429	0.8
69.28841	2.7
75.71870	0.4
78.95902	43.2
96.96964	1.7
107.76481	0.4
110.93749	0.4
122.00099	0.9
131.37253	0.3
140.01181	5.2
152.99568	6.1
171.00618	4.4
196.03793	9.2
214.04852	2.4
241.21620	0.5
242.22014	1.4
258.59833	0.3
260.52136	0.4
281.24838	100.0
282.25198	9.2
478.29373	38.4
479.29648	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	478.2939
Annotation	Glycerophospho-N-Oleoyl Ethanolamine
Peak:m/z	Relative Intensity
56.46072	0.3
57.34668	0.3
61.98825	0.5
71.03625	0.7
78.95905	100.0
96.96964	7.7
107.60874	0.3
152.99590	17.3
153.99924	0.4
160.34065	0.4
171.00638	18.5
189.95474	0.3
318.84177	0.3
404.25653	1.9
478.29385	61.1
479.29630	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	479.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97174	1.0
57.03446	1.0
59.01383	6.6
61.98829	31.8
65.00318	2.1
68.99801	1.6
69.20377	11.4
71.01372	3.7
72.99311	5.1
73.70735	1.0
83.01424	1.1
85.02927	2.7
87.00850	1.8
89.02448	1.5
95.01378	2.2
100.06121	1.2
101.02427	1.5
109.02945	2.5
110.00105	18.5
111.00882	6.0
113.02441	1.7
115.55596	1.0
121.02954	3.0
123.00886	3.1
124.01632	1.3
124.98782	1.1
125.02414	4.6
136.98836	2.5
137.99608	6.9
139.00394	25.2
139.01439	0.9
148.01579	1.2
149.02388	2.1
150.03177	2.5
151.00331	3.8
151.03975	2.3
152.01125	2.0
153.01877	1.3
163.00313	1.3
164.01105	1.1
165.01912	2.3
165.05519	2.9
165.99094	27.6
166.99889	10.9
175.02440	2.9
175.03903	1.6
178.99907	5.9
180.52473	1.1
187.03905	1.4
193.98566	1.5
194.99274	1.4
198.03166	1.3
199.03972	1.5
201.01819	1.2
208.00066	1.3
215.03453	2.0
222.52606	1.1
226.02707	1.5
227.03416	3.7
231.03027	1.6
232.03537	1.2
241.04921	1.3
242.02101	3.0
243.03120	5.5
244.03798	2.6
255.02939	1.8
259.02362	4.2
270.01645	7.0
271.02469	16.7
272.02954	1.6
287.01974	20.9
288.02533	4.1
289.07169	3.6
299.01898	5.3
299.05597	4.3
300.02423	1.5
302.07904	1.3
316.02237	94.1
317.02985	80.0
318.03336	6.6
448.75760	1.1
479.08209	100.0
479.22882	3.9
480.08487	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	479.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	15.3
61.98829	14.4
71.01385	18.2
71.55700	7.3
73.02962	3.0
75.00873	67.3
77.42890	3.0
83.01405	6.8
85.02967	5.2
87.00903	3.6
89.02417	3.7
92.64922	3.0
93.03487	17.7
94.08495	3.2
96.96014	29.6
99.00885	10.2
101.02423	5.5
103.00376	77.9
103.04015	13.4
104.03525	7.1
111.00873	8.1
113.02447	4.7
113.99592	25.6
115.00376	100.0
117.72930	2.7
119.05022	26.6
121.06598	21.4
133.02969	7.4
134.03734	10.0
135.03020	7.5
135.04527	10.0
139.00401	4.0
140.01195	6.9
149.05980	5.1
155.03461	16.8
156.00673	7.8
157.01421	9.3
163.04021	29.7
165.05533	10.1
174.01686	3.1
177.05569	8.9
181.05051	5.5
193.05048	7.4
219.06622	88.2
220.06827	4.5
221.04558	42.9
235.35435	2.9
237.07645	3.2
245.04457	5.3
250.88219	3.3
277.05481	5.9
281.14124	5.6
326.96774	3.2
346.21283	3.3
381.11887	28.7
383.09833	71.8
384.09967	6.4
395.09814	9.0
413.19415	3.2
425.10855	22.3
433.39844	3.4
479.09509	28.7
480.10452	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	479.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
63.59688	1.8
69.81781	7.0
98.19984	2.1
104.56602	1.7
111.72474	1.6
121.02975	3.2
129.06033	2.0
149.02495	9.8
151.03999	5.1
158.40781	1.7
161.02444	19.1
164.04799	17.4
176.04761	18.4
177.01901	8.8
179.03511	34.5
179.07120	34.4
191.07141	15.0
192.04266	10.4
193.05005	3.1
194.05826	35.2
207.06657	12.8
209.08186	100.0
210.08464	3.5
211.13364	2.5
212.04807	7.0
213.05556	36.1
214.05841	2.3
227.07147	4.1
236.69160	1.5
240.04282	7.6
241.05025	43.3
242.05330	3.1
254.05838	3.6
255.06647	37.5
256.07419	66.2
257.07764	4.8
269.08221	2.2
270.09036	10.9
271.09769	48.6
272.10162	4.4
332.61032	2.3
461.16037	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	479.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	11.6
60.99306	13.9
61.44005	1.9
61.98832	13.0
64.96856	1.9
69.39098	16.0
71.01381	5.8
72.99294	2.6
76.82068	2.1
83.01368	2.4
85.02948	2.9
87.00873	4.8
88.00420	3.1
88.98813	100.0
89.02442	44.7
98.19854	2.4
101.02462	4.9
111.00867	3.8
115.00377	4.9
125.02432	4.6
139.00383	4.1
149.02469	2.1
165.05602	2.3
165.99046	3.3
174.03233	2.3
175.02457	11.7
175.56677	2.0
178.99867	2.6
188.04276	1.8
223.89780	2.1
243.02917	3.6
270.01761	2.3
271.02444	15.0
287.02005	10.6
288.02612	2.4
289.07178	3.8
316.02182	16.4
317.02957	9.9
479.08203	27.7
480.08780	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	479.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.6
57.03448	2.5
59.01379	100.0
60.01733	0.8
61.98833	6.2
69.03465	1.3
71.01382	35.0
71.56296	1.0
72.99318	2.8
73.02946	16.0
75.00902	1.0
83.01394	7.8
83.97343	0.6
85.02949	22.1
85.03459	1.1
86.00121	1.9
87.00874	3.0
89.02444	5.4
95.01405	2.3
97.02946	1.3
99.00868	6.0
101.02445	33.7
103.04018	2.8
109.02902	0.6
110.00576	0.5
111.00897	2.5
113.02450	12.5
114.02801	0.7
115.04008	0.9
119.03510	1.1
125.02454	2.9
127.07590	0.7
129.01941	1.1
131.03499	0.9
141.18816	0.6
143.03519	3.6
159.03030	2.2
159.04326	0.6
161.04567	11.2
161.05919	1.2
163.06100	2.0
172.06940	0.6
205.07234	1.3
206.41725	0.7
225.15025	1.5
228.33044	0.6
271.09686	0.6
273.17111	2.9
282.47058	0.6
291.18134	48.7
292.18530	3.6
333.19272	1.0
335.17172	0.6
437.23914	75.8
438.24350	9.4
479.18051	1.1
479.24942	11.0
479.31320	1.1
480.25812	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.8
57.03445	2.3
58.00597	1.2
59.01380	100.0
60.01714	0.8
61.98828	0.7
67.01888	0.4
69.03461	0.7
69.23317	3.0
71.01382	34.3
72.99295	1.5
73.02947	17.4
75.00883	0.7
81.03452	0.6
83.01389	7.6
84.02144	0.3
85.02951	21.7
86.00107	1.2
86.03326	0.4
86.14900	0.3
87.00884	3.3
87.04526	0.9
89.02440	5.5
95.01380	3.2
97.02950	1.8
99.00884	5.5
101.02442	31.6
102.02803	0.4
102.74266	0.2
103.03996	2.4
108.19652	0.3
109.02910	0.4
111.00880	1.0
112.01664	0.8
113.02448	15.6
114.02772	0.4
115.04008	1.3
119.03484	1.5
125.02450	2.4
127.04015	0.8
127.11258	0.5
129.01955	0.8
131.03496	1.0
143.03499	3.5
145.05008	0.4
159.03008	2.7
161.04556	10.5
162.04915	0.4
163.06119	1.4
199.13368	0.4
205.07170	1.3
225.14902	1.1
273.16953	1.6
291.18124	42.2
292.18442	2.9
333.19110	1.3
335.17172	0.4
397.72000	0.3
398.22537	0.4
419.22641	0.6
437.23892	73.1
438.24216	7.8
479.25000	9.3
479.31845	0.2
480.25275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23400	0.6
59.01379	37.0
61.98829	100.0
68.83765	0.7
71.01394	4.5
71.33081	0.7
71.33430	0.9
73.02960	2.2
85.02960	1.9
101.02460	2.6
113.02465	1.5
161.04552	2.1
194.01360	0.8
331.17627	5.6
332.17856	0.8
373.18658	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	480.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	36.0
59.19064	0.4
61.98832	100.0
69.18639	0.4
69.71262	0.9
69.71663	2.3
71.01385	4.0
73.02946	2.5
83.01402	1.4
85.02963	2.7
89.02473	0.9
99.00877	0.8
101.02451	2.8
113.02464	1.4
148.39108	0.5
161.04567	2.3
331.17661	4.7
332.18137	0.9
373.18787	2.8
435.73691	0.6
480.19839	1.6
481.21161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.5
60.83458	1.1
61.98831	100.0
69.38171	4.3
69.38584	2.3
89.35475	0.8
91.21459	0.9
98.20615	1.3
209.67348	0.8
231.81323	0.8
256.86856	0.8
281.98303	0.9
331.17435	1.0
439.61450	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01102	1.4
59.01382	22.2
61.98832	100.0
62.78898	0.7
71.01383	7.0
73.02952	5.1
83.01387	2.8
84.01709	0.7
85.02961	3.0
89.02440	3.3
90.86561	0.8
101.02463	7.8
101.48159	0.8
113.02454	3.2
119.03526	1.7
125.02483	0.9
143.03488	1.1
145.02934	1.6
161.04604	1.0
161.06056	1.0
175.02626	1.4
196.06920	0.8
226.53642	0.7
291.79813	0.8
334.19699	1.1
401.61539	0.9
480.25696	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48450	0.9
59.01381	33.8
60.07968	0.9
61.98832	100.0
66.26010	1.0
69.14302	1.1
71.01372	6.2
72.59660	0.8
72.99323	0.9
73.02961	3.2
74.12051	0.8
74.85695	1.0
80.34165	1.1
83.01402	1.1
85.02945	4.3
88.98785	1.9
89.02453	3.2
99.00866	1.1
101.02452	3.2
113.02444	3.3
121.02934	1.2
143.03510	0.9
148.43309	1.1
161.04523	2.4
190.02751	1.8
193.15582	1.1
199.13344	1.3
205.05063	1.1
248.83333	1.0
255.02924	3.9
257.08212	1.9
258.08435	3.7
283.02487	6.0
284.03268	1.7
285.03952	2.7
325.56726	1.3
326.07220	7.1
326.57309	3.6
331.17737	3.4
334.19489	1.5
373.18375	1.4
480.12720	2.5
480.25482	1.7
481.20801	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	480.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03445	1.4
59.01377	38.2
61.68675	0.6
61.98829	100.0
68.92935	0.6
71.01380	18.5
72.99322	1.3
73.02942	7.5
78.95870	0.6
83.01389	3.4
85.02946	6.4
89.02442	13.1
90.02763	0.7
90.80973	0.7
95.01385	1.1
99.00893	1.2
101.02450	16.4
102.02736	0.7
113.02462	7.2
119.03470	4.3
125.02487	1.0
130.50468	0.7
143.03540	2.1
146.65170	0.6
149.04570	1.7
161.04558	5.6
229.84731	0.7
242.67662	0.7
244.50832	0.6
261.91077	0.7
331.17679	1.8
332.29123	0.7
373.18649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27506	0.5
59.01373	3.5
60.14951	0.6
61.81690	0.6
61.98827	100.0
72.40044	0.5
77.00534	0.6
97.04620	0.6
104.01023	0.5
176.78323	0.5
358.08600	0.6
424.62390	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61889	0.7
59.01376	2.4
61.98830	100.0
69.80968	1.1
69.81367	1.8
71.01395	1.6
99.39841	0.7
115.90429	0.8
132.44603	0.6
136.98360	0.6
175.35643	0.7
292.69855	0.7
309.70343	0.8
481.28226	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	480.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.8
61.98829	100.0
69.01054	0.4
69.47747	2.6
69.98650	0.5
71.01386	2.6
84.23000	0.4
85.02943	0.8
88.98803	0.7
89.02465	0.5
98.20683	0.9
101.02451	1.3
113.02499	0.8
114.82212	0.4
146.18961	0.4
161.04611	0.5
161.57213	0.4
225.62794	0.4
253.05038	0.4
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
50.61967	0.1
53.42510	0.1
61.98841	0.2
62.96399	0.2
70.86562	0.2
78.95904	17.7
96.73180	0.1
96.96950	0.3
106.40724	0.1
113.27261	0.1
119.72029	0.1
122.98511	0.1
134.98511	0.1
142.94962	0.1
152.99588	2.2
168.04312	2.7
169.04723	0.1
194.05885	0.1
224.06923	8.4
225.07281	0.2
228.31561	0.1
237.22128	0.2
242.07964	1.7
253.21797	0.2
255.23286	100.0
256.23618	7.6
281.24826	0.3
282.25177	0.2
283.25552	0.4
391.22763	0.1
480.30927	21.5
481.20450	0.1
481.31299	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	480.3095
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
61.98832	4.0
66.85249	0.3
70.62666	0.4
70.63007	0.9
78.95902	18.5
79.50092	0.3
122.00117	1.2
140.01190	5.8
152.99588	2.3
168.04538	0.4
186.04585	0.3
196.03802	9.9
196.05588	0.8
197.04100	0.3
214.04860	1.9
242.39104	0.3
255.23317	0.7
283.26413	100.0
284.26752	9.2
303.09174	0.4
403.55197	0.4
480.30981	26.6
481.31241	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75074	2.2
58.00599	5.8
58.46441	2.4
59.01381	100.0
61.98833	48.3
71.01384	63.4
71.55674	4.0
72.99310	9.0
73.02967	3.0
75.00872	12.6
82.95441	2.7
85.02959	15.6
87.00883	5.9
88.98838	3.8
89.02446	71.0
89.03006	4.0
95.01384	6.7
101.02446	31.2
108.02192	3.5
113.02457	24.4
119.03512	26.0
120.43843	2.3
123.00875	4.1
125.02504	3.3
131.03503	4.2
134.03738	20.5
136.01686	50.0
139.03044	2.4
139.04091	2.5
143.03534	5.7
149.04390	2.4
149.06065	12.6
150.03275	3.7
151.03992	51.6
157.02708	2.4
161.04553	5.6
163.03983	3.6
165.01843	3.2
165.05566	3.2
179.05586	9.8
181.05145	3.0
181.06685	2.7
197.06131	6.2
209.06085	10.1
225.05569	10.9
236.04668	2.9
237.05573	39.5
238.06230	11.5
252.07896	31.1
253.05093	24.4
253.08507	7.2
255.02979	4.8
267.06604	5.1
268.07410	27.6
269.08130	2.3
271.09665	4.2
273.07504	3.3
282.99356	2.4
283.02576	7.2
283.09753	64.0
284.10098	6.7
301.10962	5.3
319.08099	3.8
337.26279	2.5
445.21317	3.4
469.61182	2.4
481.18283	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	481.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.2
61.98819	1.9
67.07752	0.6
71.01382	1.2
71.09872	0.8
75.00870	0.6
83.01391	0.6
101.02377	0.5
108.02200	0.5
134.03712	0.7
136.01642	2.4
137.93726	0.5
151.00407	0.8
151.04039	2.0
185.06013	2.2
195.04561	1.4
195.06592	0.5
197.06033	1.2
212.04724	1.0
213.05585	10.4
223.04012	2.4
224.04758	1.8
240.04285	0.7
241.05069	62.9
242.05382	3.9
255.03040	1.4
256.07410	45.8
257.07755	3.0
265.96588	0.6
271.09753	100.0
272.10123	7.7
283.02545	3.9
319.11835	17.1
320.12241	1.7
330.78442	0.6
429.67947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.47971	0.9
61.98527	1.0
61.98833	13.7
63.28672	0.7
69.39249	0.7
69.61877	1.6
69.62267	2.7
71.01381	4.0
73.50449	0.8
75.00866	2.1
79.75444	0.7
85.02940	1.1
89.02453	3.7
93.03455	1.1
98.19958	1.1
101.02447	3.1
112.55290	0.9
113.02448	1.8
119.03506	1.2
125.01094	0.7
137.02396	0.9
149.02412	1.2
150.03220	3.4
151.04010	1.0
161.04530	1.1
165.01913	2.3
165.05559	3.6
180.04243	1.7
195.06631	9.0
209.42003	1.0
225.07710	2.4
241.04874	1.0
255.03044	0.9
271.09714	1.7
274.70007	0.8
283.02405	3.2
283.09650	1.5
300.77921	0.9
349.68234	0.8
373.12958	2.1
374.12766	1.2
437.24777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98979	0.7
59.01379	100.0
61.98824	4.7
65.07445	0.8
69.18954	1.1
69.19287	9.3
70.38904	0.8
71.01365	1.7
75.00870	0.9
76.48982	0.7
85.02952	2.5
88.98816	0.8
89.79939	0.8
96.96033	1.1
113.02433	1.1
123.08131	0.8
133.02928	0.9
149.02403	3.0
150.03238	6.1
158.00192	0.8
164.04776	1.1
165.01920	2.5
165.05585	11.0
179.07005	0.9
180.04259	2.3
195.06625	13.9
237.14951	1.4
271.09769	1.3
281.13950	4.6
373.12790	7.4
374.12946	1.2
421.15128	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	481.2807
Annotation	CHEBI:68085
Peak:m/z	Relative Intensity
55.01060	1.1
55.01851	1.2
57.03445	1.5
59.01378	14.4
61.98826	2.7
65.19611	1.1
71.01383	21.0
71.54642	1.4
72.99245	1.3
73.02940	4.8
83.01389	2.8
85.02938	9.8
89.02444	4.3
95.01380	2.8
99.00842	2.5
99.04539	1.3
101.02434	9.6
113.02434	6.0
119.03505	2.1
129.01950	1.4
137.84940	1.3
303.23239	9.8
319.22855	3.4
358.81390	1.2
427.62680	1.2
434.11426	2.0
447.12540	1.4
448.13684	1.6
449.14175	2.3
465.13269	1.6
466.14203	2.4
481.17453	14.4
481.28012	100.0
482.17020	1.7
482.28192	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	482.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
59.86532	0.3
61.98830	100.0
74.02001	0.3
81.03459	0.3
92.73804	0.3
97.30292	0.3
98.19910	0.5
125.02465	1.0
127.09882	0.3
173.06052	0.3
200.81503	0.3
211.51639	0.3
213.09280	1.1
239.07089	0.3
257.08182	10.3
258.08588	1.1
419.13663	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73946	0.4
59.01374	1.5
61.50015	0.4
61.98832	100.0
62.98539	0.4
63.99257	1.1
68.08514	0.3
71.01392	0.5
85.02955	0.3
101.02424	0.4
109.28191	0.3
113.02467	0.4
174.97250	1.0
180.05757	0.4
225.05594	1.2
241.05122	0.5
257.08191	12.0
258.08533	0.6
419.13409	1.7
498.80847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98830	100.0
69.52200	2.4
71.01385	1.2
71.05013	0.3
73.02908	0.4
85.02985	0.8
91.75108	0.4
99.00876	0.4
101.02462	0.9
111.20535	0.4
113.02428	0.8
120.54381	0.4
125.02463	0.7
149.74634	0.4
151.07623	0.4
174.97224	0.9
180.05869	0.5
213.05853	0.4
225.05548	2.1
226.55565	0.4
241.05118	1.4
257.08179	17.7
258.08521	1.6
419.13474	5.3
420.13657	0.7
442.72476	0.4
449.34131	0.4
456.37006	0.4
482.28360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.0
65.66396	0.8
68.99811	1.6
71.01377	4.7
71.21847	1.2
72.99307	5.0
75.00862	9.4
75.02565	1.9
83.01393	4.4
84.99329	1.6
85.01017	2.7
85.02937	1.4
85.59962	0.8
89.02435	1.3
95.71638	0.8
99.00871	4.6
101.02441	2.3
101.73889	0.8
103.00361	6.9
111.00848	3.1
112.98071	1.6
112.98817	27.2
115.00331	2.1
115.02064	3.3
117.01965	2.6
124.98784	1.3
127.00366	1.7
129.01984	1.4
142.99791	1.3
143.01611	1.4
145.01436	45.5
146.01692	2.3
154.99876	1.1
157.01385	2.8
159.03032	0.9
171.01054	4.4
187.02417	0.9
203.03712	1.2
217.05144	1.6
231.03088	2.2
232.97000	1.2
233.46762	1.0
263.05792	10.3
264.73517	0.9
323.09872	2.7
335.04340	2.2
335.07846	3.2
391.06866	9.1
410.98065	1.1
419.06357	1.5
423.09247	1.1
447.15372	1.2
451.08948	16.1
483.11639	100.0
484.11996	11.2
504.39136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1161
Annotation	SCHEMBL2576454
Peak:m/z	Relative Intensity
59.01388	6.5
60.55996	1.1
71.01383	4.2
71.55171	2.0
72.99306	5.9
75.00868	11.1
83.01393	3.7
84.99301	1.3
85.01020	1.4
85.02972	2.0
87.00871	2.5
89.02438	1.5
99.00870	4.4
103.00368	7.1
111.00901	2.7
112.98810	23.8
115.00378	2.1
115.02060	1.7
117.01974	1.6
127.00356	1.4
127.27772	1.2
141.52057	1.2
143.01530	1.4
145.01436	33.2
146.01744	1.2
159.02930	1.6
165.67436	1.0
171.01036	4.3
185.02675	1.3
244.98486	1.2
245.04837	1.4
263.05771	15.7
305.32416	1.2
318.98199	1.3
335.04395	2.3
391.07007	10.4
406.77682	1.2
419.06775	1.4
441.43555	1.7
451.09030	12.3
483.11627	100.0
484.11942	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	483.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46384	1.8
58.02986	9.8
59.01387	13.1
61.98832	100.0
71.01382	7.0
71.56985	2.9
73.04080	4.9
74.87962	1.9
85.02938	2.6
89.02478	3.7
91.05511	3.1
98.02519	3.0
101.02428	5.2
108.08193	5.1
115.05114	3.6
127.18372	2.0
129.10332	13.4
132.09508	2.3
147.04550	14.8
152.07181	7.5
164.07166	38.4
168.11420	10.7
174.97258	11.2
186.12479	30.9
210.12483	22.9
211.10796	2.4
228.13504	2.5
233.16580	7.3
259.14240	2.5
277.15610	5.5
290.18793	9.2
291.19019	2.3
308.21060	2.3
376.18777	91.3
377.19092	9.3
420.21411	60.8
421.21658	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52142	0.4
69.90443	1.6
78.95897	6.5
84.96825	0.5
96.96936	0.6
97.06317	0.5
129.35741	0.4
152.98358	0.9
152.99594	15.1
171.00665	1.6
196.33270	0.4
202.28912	0.4
227.03200	2.8
245.04305	1.2
255.23291	100.0
256.23627	7.9
274.73254	0.4
294.82834	0.4
483.27252	23.4
484.27652	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	483.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.84573	6.7
70.82936	11.8
70.83256	6.2
75.70795	5.4
78.95894	10.0
113.80840	6.3
152.99586	13.0
159.02921	8.7
199.07874	6.5
255.23303	96.5
341.30576	20.0
396.09161	6.9
483.27194	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	484.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32649	0.4
57.03440	0.4
59.01384	3.3
61.98832	100.0
71.01401	0.4
71.56056	0.5
71.56444	0.4
85.02950	0.7
96.02883	0.4
99.00883	0.4
101.02497	0.6
113.02492	0.4
133.06631	0.8
159.04582	0.6
161.04665	0.4
219.05118	0.4
279.07132	0.7
301.03568	0.6
447.09641	0.7
448.09631	0.6
457.19830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56600	1.7
55.05406	1.5
61.98830	100.0
62.62609	2.0
62.96413	2.0
68.50362	1.9
71.55594	2.5
111.08238	2.2
119.24955	1.7
176.37172	1.8
182.21568	1.8
222.43564	2.3
281.74631	2.0
432.92639	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	485.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	22.1
61.98825	20.1
62.73798	5.4
64.95768	5.7
70.69759	17.2
71.01382	14.3
72.99282	6.1
73.09651	5.8
75.15016	6.0
83.01331	6.5
87.00884	13.8
88.26869	5.7
93.03463	67.4
96.95998	16.7
99.00861	11.1
108.02190	6.1
113.02375	6.8
113.14111	5.7
113.99567	40.6
115.00372	50.9
119.05007	9.0
123.04510	8.0
126.82223	5.8
133.02927	25.0
135.04549	8.3
143.28159	6.7
157.01405	14.2
163.03957	7.4
165.05531	41.8
175.02437	26.0
177.05540	11.0
181.05075	7.2
193.04999	16.8
194.25917	6.5
198.37910	6.7
203.08195	6.9
221.04578	100.0
253.20518	6.8
388.16278	6.8
425.80698	6.8
485.13232	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	485.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	22.1
59.01378	100.0
61.98830	12.1
68.81786	1.4
68.99831	2.5
69.41521	1.2
69.41836	12.2
70.13031	1.6
71.01376	13.7
72.99316	2.5
73.02955	5.6
75.00889	1.6
81.03447	1.7
83.01382	1.8
85.02959	5.9
87.00848	2.0
89.02451	5.2
99.04511	22.2
101.02434	14.2
113.02452	5.5
121.02956	5.6
125.02451	13.2
161.04590	2.2
167.03546	3.1
179.05586	2.1
187.03874	1.5
297.63538	1.5
341.16028	1.6
367.21011	2.4
399.23718	2.9
401.09109	3.0
442.02448	2.4
485.22760	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	485.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31885	0.7
59.01380	100.0
60.01707	1.0
61.98822	1.3
68.98966	0.7
71.44650	1.8
80.11502	0.8
88.22318	0.7
98.19936	0.7
111.08166	1.0
117.03484	1.1
119.05045	9.6
163.04001	14.6
163.05226	1.1
164.04276	0.9
173.08215	0.7
437.99155	0.7
438.91385	0.7
467.53445	0.8
485.32410	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	486.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98821	1.2
66.42731	0.5
69.96872	1.8
69.97278	1.3
73.89485	0.6
74.68137	0.6
75.29041	0.7
88.04045	57.4
96.96023	0.9
127.67773	0.8
127.82757	0.6
147.08142	1.6
149.09694	1.9
163.11282	2.5
187.11243	2.4
203.18307	0.7
279.13986	1.0
280.14615	1.1
307.17044	1.1
309.22134	1.9
321.18600	0.7
337.21729	100.0
338.22064	10.4
367.65530	0.7
486.26938	11.1
487.27319	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	487.1457
Annotation	Cistanoside F
Peak:m/z	Relative Intensity
58.03076	1.2
59.01380	37.4
61.26225	1.6
61.98811	1.6
65.58059	1.3
69.03489	1.3
71.01376	13.2
71.04632	2.6
72.99307	1.9
73.02957	8.5
79.34142	1.5
80.73260	1.4
83.01443	1.5
85.02946	6.1
87.00861	4.7
87.04527	2.4
89.02435	8.9
101.02450	16.8
103.03987	2.2
105.03453	6.4
107.05039	19.7
113.02452	1.9
115.03983	3.4
119.03497	6.3
121.02969	6.9
131.03503	4.6
135.04536	4.8
143.03493	7.2
161.02437	25.4
163.06119	5.2
169.80022	1.2
179.03494	100.0
180.03807	2.7
186.56958	1.3
189.01961	10.0
205.07195	6.7
231.02985	2.2
249.03986	2.9
274.43039	1.5
360.77451	1.4
481.09039	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56931	0.4
51.99897	0.3
59.01382	5.9
60.58945	0.3
61.98826	3.5
64.09748	0.3
71.01385	5.7
71.46885	0.4
72.99310	0.5
73.02954	0.8
82.03913	0.3
83.01389	0.5
85.02956	1.3
87.00864	3.5
87.07491	0.4
88.98812	0.4
89.02441	5.7
93.03448	0.6
95.01363	0.5
101.02446	3.2
102.63948	0.4
113.02466	3.0
117.03465	22.9
118.03806	0.9
119.05027	33.2
120.05356	0.8
121.02989	0.4
125.02467	0.5
131.03488	0.5
132.05826	0.4
133.06593	2.1
143.03482	0.6
145.02954	100.0
146.03287	4.2
161.04684	0.7
161.06049	4.8
162.06233	0.4
163.04008	44.1
164.04353	1.6
177.05547	2.2
179.05615	0.4
187.03989	1.1
191.26697	0.5
193.05122	0.4
193.43860	0.4
205.05052	7.7
212.09996	0.4
235.06093	4.9
265.07162	9.4
266.07416	0.5
273.98730	0.4
307.08206	3.6
325.09341	2.4
341.10736	0.6
465.84564	0.4
487.14563	46.8
488.14871	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	487.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02435	0.4
52.37569	0.4
59.01383	8.0
61.98830	23.0
70.69252	1.4
71.01382	8.3
72.99310	0.6
73.02940	1.9
75.00876	1.6
81.03461	1.0
83.01384	0.8
85.02940	2.4
87.00871	2.6
89.02448	5.1
91.57365	0.5
93.03454	1.0
95.01395	1.0
99.04507	0.9
101.02433	3.6
105.03407	0.5
113.02452	3.7
117.03467	24.7
118.03805	0.7
119.03607	1.5
119.05025	38.3
120.05318	1.0
121.03032	0.5
123.04544	1.6
125.02452	1.8
133.06592	1.8
139.04056	0.5
143.03497	1.2
145.02953	100.0
146.03287	3.2
146.08209	1.3
157.30750	0.5
161.04561	3.3
161.06081	5.3
163.04010	52.8
164.04312	1.8
167.03482	1.3
177.01898	1.7
177.05533	2.4
179.05583	1.5
187.03993	2.2
192.00636	0.6
205.05037	6.3
210.07632	0.6
220.07301	0.5
229.12956	0.7
235.06097	4.6
259.06027	1.3
265.07135	6.4
266.07465	0.7
276.63528	0.6
287.05667	2.5
307.08206	4.1
312.62723	0.6
323.09894	0.6
325.05746	1.4
325.09317	3.0
337.07578	0.6
339.05154	1.3
341.10724	0.6
391.60251	0.5
419.10172	0.5
445.17090	1.9
459.09375	1.7
478.17245	0.5
487.14624	38.2
488.14731	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.5
69.53796	5.1
69.54205	1.6
71.01373	1.4
78.10004	1.0
83.01335	1.0
98.20616	1.8
116.92851	2.2
117.03480	1.9
117.74138	0.9
119.05027	90.1
120.05347	2.8
123.04516	1.4
145.02914	7.4
153.01967	2.9
163.04004	100.0
164.04376	3.2
179.07039	1.0
187.04019	1.5
204.12813	1.0
205.05066	1.4
322.11578	1.2
325.09271	10.6
419.12637	1.0
433.97772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01381	9.2
61.98829	7.7
68.37093	0.6
71.01386	4.3
71.52045	0.5
71.56149	0.7
73.02952	1.4
85.02939	1.7
89.02448	1.6
99.00885	2.1
101.02457	3.0
113.02450	1.8
117.02636	1.4
117.03472	26.8
118.03825	0.9
119.03553	0.8
119.05033	13.7
121.02951	0.7
125.02441	1.1
135.04515	2.0
138.01978	2.5
138.03105	0.6
145.02954	100.0
146.03769	13.9
147.04482	1.1
159.04535	0.8
161.02448	2.2
161.06065	6.0
163.04018	10.6
164.04790	11.8
165.05229	0.6
175.02518	1.1
175.04007	0.8
179.03470	2.6
179.07129	14.1
187.04015	1.6
192.03467	0.6
205.05054	0.7
218.42497	0.5
247.06035	1.6
255.06128	0.6
269.35397	0.6
291.97592	0.7
307.08215	44.3
308.08572	3.4
487.16168	19.6
488.16614	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	487.3429
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
51.53926	0.4
59.01374	0.7
61.98822	1.0
76.92997	0.4
91.76688	0.4
119.04150	0.5
119.04982	0.9
163.04016	1.3
163.87117	0.4
239.05754	0.4
409.31271	0.5
487.34277	100.0
488.34607	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	488.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25877	0.2
57.03826	0.2
58.98946	0.2
59.01380	1.9
60.72602	0.2
61.98829	100.0
64.61805	0.2
69.24873	2.1
71.01363	0.2
73.02942	0.2
78.27833	0.2
99.00922	0.3
101.02419	0.4
123.28378	0.2
133.02977	0.9
175.00351	0.3
284.03250	0.2
297.04037	0.5
300.18100	0.2
309.04102	2.6
327.05371	0.4
333.55981	0.2
339.05078	0.7
341.06769	0.7
369.06339	0.7
429.08435	0.9
489.10098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77692	0.4
59.01364	1.7
65.00345	0.4
69.39642	0.4
93.03447	1.0
107.01403	1.3
129.61868	0.4
132.02165	0.9
135.00906	1.0
147.00874	0.8
151.00357	2.3
154.04192	0.4
163.00366	1.0
167.05045	0.6
169.06482	0.6
171.04434	0.5
183.04489	1.9
185.06111	0.9
187.03996	0.9
195.39996	0.4
199.03987	0.4
211.04005	2.0
213.05524	0.8
227.03500	41.8
228.03932	2.5
229.05045	2.3
239.03490	1.4
241.05318	0.5
255.02994	76.8
256.03537	8.3
257.04352	2.0
268.03683	0.7
269.04498	3.9
270.05209	0.5
283.02509	9.7
284.03262	100.0
285.03998	51.6
286.04355	3.4
304.92178	0.6
311.05447	0.7
429.08267	12.8
430.08615	1.7
447.09393	0.5
489.10400	33.8
490.10660	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	489.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.1
61.98829	1.8
64.56087	0.5
71.01373	2.9
73.02937	0.7
76.32742	0.5
80.35672	0.5
83.01385	0.9
85.02935	0.6
88.31995	0.4
89.02444	0.8
90.80168	0.5
101.02430	0.9
106.38338	0.5
107.01380	0.8
108.02202	0.5
113.02453	1.0
117.03487	0.6
118.08026	0.5
119.03514	0.7
125.02442	0.5
135.00899	0.5
145.02948	2.1
146.03326	0.7
151.00362	2.1
153.01904	0.4
161.04413	0.5
163.00504	0.6
183.04491	1.9
184.83646	0.6
187.03897	0.6
211.03978	2.1
227.03488	77.4
228.03801	4.9
229.05031	1.7
229.41954	0.7
239.03516	0.6
255.02982	100.0
256.03571	12.6
257.04428	1.4
269.04492	0.9
284.03253	65.5
285.03973	26.8
286.04358	1.4
327.05035	1.4
329.00003	0.6
387.20450	0.5
397.61383	0.4
435.07620	0.5
489.10361	99.0
490.10767	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	489.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.6
59.01379	19.3
61.98832	7.0
63.02401	0.8
65.00346	0.6
72.99308	0.4
73.02921	0.7
83.01415	1.6
85.02938	0.7
89.02459	1.8
93.03448	2.0
95.01415	1.0
101.02457	1.5
107.01394	2.3
109.02972	0.9
111.00861	0.7
113.02464	1.3
115.00394	0.7
117.03482	0.6
119.03541	0.6
122.95277	0.3
125.02464	0.9
131.05054	0.7
132.02193	1.4
133.02931	0.5
133.06657	0.5
135.00845	1.7
137.06099	0.8
139.00407	0.5
143.05040	0.7
145.02959	0.8
147.04529	0.7
151.00349	1.7
151.04010	0.5
153.01976	0.4
153.36458	0.4
157.01462	0.5
159.04524	1.3
161.04596	0.6
163.00391	3.0
163.05994	0.4
164.01149	0.5
165.05563	0.6
165.09221	2.1
167.05016	0.7
169.01497	0.4
169.06581	0.5
171.04477	0.5
174.01680	0.4
175.00319	1.7
175.02486	0.5
177.01944	0.5
179.07082	0.7
180.04390	0.4
181.05086	1.5
183.04485	1.3
185.02414	0.8
185.06075	1.6
187.03992	2.6
188.01237	0.4
189.05582	0.8
190.02617	0.9
195.04453	0.5
196.05312	0.4
197.06033	1.1
199.03928	1.2
201.05499	0.5
205.05055	0.5
211.03970	2.5
213.05629	1.2
227.03484	28.2
228.03899	2.0
229.05029	10.6
229.27637	0.5
230.05397	0.7
239.03529	1.9
240.04124	0.7
241.04947	1.1
253.04924	0.5
255.02977	64.3
256.03461	6.4
257.04547	5.9
258.04959	0.5
267.02896	0.7
281.04587	1.3
283.02411	0.8
283.05869	0.4
284.03250	82.2
285.04016	100.0
286.04407	6.8
309.03906	2.2
311.05188	0.4
327.05106	1.4
327.13956	0.5
399.06992	0.6
429.07916	2.8
441.17578	0.5
489.10312	36.4
490.10648	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	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92053	1.5
53.74445	1.6
57.03440	3.1
59.01378	18.1
61.98813	6.2
71.01374	13.2
71.56577	1.7
72.99309	14.6
73.02937	3.4
75.00873	90.7
81.87407	1.6
83.01381	1.7
85.02934	3.7
89.02436	7.2
101.02443	9.8
103.00372	100.0
103.04002	9.2
104.00681	2.0
104.03555	1.6
107.59417	1.6
107.97050	1.5
113.02411	5.1
114.58672	1.8
115.05479	2.1
119.03460	3.5
121.05019	3.0
125.02454	2.8
149.02434	3.9
161.04626	3.5
161.05956	3.4
163.03961	2.0
164.04741	3.9
175.00343	3.7
187.03957	4.6
190.02731	12.6
205.05031	11.2
223.06065	7.3
235.77229	1.6
262.50610	1.7
283.07425	2.3
283.10352	21.1
289.80426	1.5
343.13889	2.4
360.78720	1.8
489.16077	12.3
511.97107	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01910	1.1
57.03451	100.0
59.01382	98.9
60.01720	1.3
60.84747	1.3
61.98833	9.2
69.03432	1.7
71.01385	24.4
71.56577	1.1
73.02939	7.5
75.00888	1.3
81.03452	3.8
83.01378	3.1
85.02950	9.9
87.00867	1.5
89.02448	4.3
95.01384	1.6
96.96014	1.2
99.00880	3.7
99.04522	92.3
100.04868	2.3
101.02444	34.2
112.98584	1.4
113.02470	9.2
121.05687	1.4
125.02451	26.9
125.09737	5.9
143.03516	3.5
145.02933	2.3
159.02916	1.6
161.04544	9.6
169.89874	1.1
183.13895	17.3
227.03508	2.7
255.03032	4.6
284.03256	6.5
285.03870	4.8
307.08139	1.5
345.19040	7.4
387.20224	3.4
406.87622	1.2
426.33185	1.3
489.10431	3.7
489.22247	2.4
489.27835	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	489.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18714	4.1
59.01376	4.4
61.98821	7.7
67.00365	3.7
69.64135	8.2
69.64551	18.4
71.31619	3.4
95.32662	3.5
98.19917	6.8
99.00891	5.8
113.99586	13.2
127.55277	3.6
131.99309	4.3
156.00597	17.8
226.78896	3.7
267.08173	8.1
283.11084	100.0
284.11371	7.8
300.07748	7.8
365.30750	5.3
387.85220	3.8
391.32181	11.8
393.30161	38.4
431.51144	4.6
489.27179	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	489.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	4.3
69.83665	11.2
71.01382	3.0
78.17493	3.4
98.20641	3.6
113.99583	50.7
129.01912	2.7
132.93427	2.6
156.00667	12.4
167.02258	2.4
174.01689	44.8
207.26404	2.6
207.95808	2.6
217.99660	2.8
253.73828	2.6
262.00458	2.6
283.10922	3.3
305.28494	4.0
317.28433	4.3
335.29794	3.4
337.31192	13.0
347.29544	2.7
349.31009	5.9
365.30542	13.1
391.31711	3.2
393.30087	100.0
394.30173	13.4
489.29987	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	489.307
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91307	0.1
55.01872	0.1
55.43094	0.1
57.03438	0.2
59.01378	4.2
61.98822	0.2
62.31937	0.1
63.45895	0.1
64.05283	0.1
70.85449	0.3
70.85785	0.2
71.01385	3.0
72.99303	0.3
73.02950	0.7
78.95911	0.4
83.01397	0.4
83.05048	0.2
85.02937	1.0
87.00870	0.6
89.02446	2.9
95.01371	0.3
99.00902	0.2
101.02442	3.7
104.25013	0.1
108.79677	0.1
113.02460	1.6
119.03484	0.7
119.50675	0.1
125.02490	0.2
133.05043	0.4
139.38200	0.1
143.03493	0.3
143.36693	0.2
152.99583	0.5
161.04590	1.2
179.05565	0.4
179.21411	0.1
235.08177	0.9
235.20598	0.2
253.09303	12.4
253.21716	100.0
254.09598	0.5
254.22060	7.0
271.87772	0.2
489.36310	0.2
513.99640	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78260	0.4
57.05441	0.4
59.01379	100.0
60.01708	0.7
74.53908	0.4
88.70287	0.4
91.04026	1.2
224.59677	0.5
288.40518	0.5
355.32361	2.0
359.27121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27180	0.6
59.01374	2.3
61.98823	2.4
70.60565	1.7
89.11800	0.5
98.20672	0.7
119.05042	0.9
123.04537	0.9
145.02992	1.6
149.06059	3.3
151.10120	0.7
161.06052	0.9
163.04036	0.9
189.64935	0.6
225.05540	2.6
238.52397	0.7
283.79379	0.7
360.08057	1.0
361.08707	2.0
372.07904	1.4
373.08878	1.3
375.06262	0.7
376.07227	0.9
387.06750	2.2
388.07431	13.0
389.08154	6.6
400.07214	1.9
401.08154	2.2
403.05435	0.8
403.09848	1.0
404.06732	2.6
405.07581	3.0
415.05698	1.1
416.06955	9.6
417.07657	26.2
418.08051	3.6
419.05115	1.4
419.09857	0.9
420.09854	1.1
429.07712	3.5
430.08176	1.4
431.09311	16.6
431.15088	1.3
432.09827	1.9
433.07263	4.4
445.07159	13.8
446.07587	2.7
447.08850	1.2
448.09576	2.5
451.02005	0.7
460.09512	18.9
461.10611	1.0
462.07056	0.7
476.08923	16.4
476.15500	1.2
477.09378	2.8
491.11353	100.0
492.11621	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	491.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67900	0.5
53.72285	0.5
55.01885	2.7
57.03447	3.5
58.00595	1.2
59.01378	16.6
61.98831	1.4
65.00321	0.9
65.20118	0.4
69.51285	0.6
71.01382	28.1
71.05023	0.7
72.99304	0.7
73.02946	10.3
75.00862	0.8
77.03989	0.5
79.01904	0.8
81.03459	2.3
83.01379	5.4
85.02946	13.4
87.00880	1.7
89.02470	3.6
89.11887	0.4
89.73438	0.5
91.05563	0.6
93.03455	7.0
95.01391	2.9
95.05017	1.9
97.02943	1.3
97.06565	0.5
99.00880	5.2
99.04521	5.0
101.02443	26.2
103.03996	1.3
105.03458	3.5
105.73065	0.5
107.01388	2.4
107.04957	0.6
109.02927	0.7
109.06594	2.0
111.08147	0.5
113.02454	12.5
115.05553	0.7
117.03465	50.3
117.07117	0.9
118.03801	1.8
119.03543	0.9
119.04980	1.1
121.02958	5.5
121.06596	0.8
123.04514	5.7
123.68358	0.5
125.02457	4.0
131.01385	2.1
131.03487	0.8
133.06580	1.8
135.04567	0.7
137.02405	1.0
137.06090	1.0
139.04033	0.6
139.07646	1.2
141.02052	0.6
143.03497	2.0
145.02948	0.8
147.04488	2.7
149.02437	100.0
150.02791	3.4
151.03975	0.6
159.03012	3.3
159.04207	0.5
161.02440	18.0
161.04561	16.0
161.06071	2.6
162.02808	0.7
163.04027	3.0
164.01146	1.6
165.05577	0.6
167.03484	1.2
169.08734	2.9
173.02434	10.2
174.02921	0.6
175.00391	4.5
175.16991	0.5
179.03542	2.8
179.05484	0.5
181.04961	1.3
185.11807	1.1
187.03970	2.9
191.03497	25.2
192.03879	1.1
195.09175	0.5
197.04413	0.6
203.03477	0.5
209.04491	1.3
215.03528	0.9
217.01408	18.4
218.01779	0.9
221.04633	0.6
227.12871	11.1
233.04550	1.4
245.06654	0.6
251.05637	1.2
259.02478	1.7
269.06656	4.7
278.08218	0.4
287.07767	1.0
311.05606	24.0
312.05917	1.3
319.04715	0.5
329.08920	6.1
329.16040	19.3
330.09219	0.5
330.16345	1.6
353.06586	2.6
353.48373	0.5
371.07669	0.8
396.18045	0.5
431.09955	1.7
491.21329	38.2
492.21487	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
59.23503	0.7
69.60264	4.5
71.01402	1.0
81.03472	5.2
83.01386	7.7
85.02925	1.7
89.90566	0.7
93.03455	1.3
95.01397	1.9
95.05056	3.9
97.02965	1.6
98.20639	0.8
107.05027	2.0
108.02223	0.8
109.02991	1.7
109.06568	1.6
111.04528	2.2
113.02433	1.4
121.02957	3.3
123.04518	12.1
125.02435	8.3
135.04503	2.9
137.02440	3.0
137.06053	6.7
139.04016	6.6
141.05650	1.1
147.04616	1.0
149.02440	1.5
149.06021	0.9
151.04019	3.2
153.05565	1.6
161.06050	1.9
163.03986	3.4
164.04846	1.0
165.01936	2.2
165.05545	4.7
167.03487	25.1
168.03859	0.8
177.05563	1.4
179.03481	4.8
180.04286	1.7
181.05029	2.2
186.11340	0.7
189.05551	1.0
191.03511	1.5
193.05052	4.0
197.04526	2.7
201.50972	0.8
207.06596	1.5
209.04553	38.8
210.04915	2.5
219.03006	1.3
221.04552	11.1
222.04875	0.7
223.06160	1.5
233.04443	1.1
235.06172	2.7
239.05609	12.9
240.05777	1.5
248.03452	0.9
251.05595	100.0
252.05937	5.5
263.05609	3.3
265.07242	1.1
269.06555	1.5
281.06650	65.7
282.06882	4.1
293.06760	3.7
311.07739	19.1
312.08051	1.2
323.07870	1.0
335.07837	1.0
353.08777	6.1
371.09769	14.4
372.10406	1.1
383.09738	4.5
401.10992	1.7
402.11597	0.9
491.14026	7.5
492.14874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50087	1.2
57.03456	1.5
57.11690	1.2
59.01383	14.4
61.98829	6.9
64.44624	1.2
65.93669	1.2
67.01865	1.4
69.03406	1.3
69.83839	5.9
71.01395	6.6
73.02930	1.6
75.00877	5.2
81.03467	5.7
83.01389	10.3
85.02958	3.7
85.96122	1.1
87.00869	2.2
89.02454	5.2
93.03498	2.5
95.01348	1.4
95.05018	4.5
96.94044	1.2
97.02966	3.4
98.20586	1.7
99.00854	1.5
99.04542	3.1
101.02442	3.7
107.05004	1.8
109.02923	2.1
113.02463	5.4
119.05029	1.4
121.02958	3.5
123.04531	15.2
125.02446	8.5
135.04517	4.5
137.02426	2.8
137.06096	6.7
139.03999	7.6
141.05641	2.1
149.02455	1.9
151.03999	3.0
153.01942	4.3
153.05605	2.9
161.04578	2.3
163.04025	3.7
165.01964	2.0
165.05562	4.6
167.03502	31.2
168.04277	5.7
175.02562	1.3
179.03500	7.5
180.04298	1.4
181.05066	3.1
183.06622	3.3
189.05556	1.5
191.03482	2.8
193.05066	4.3
197.04536	2.6
203.07231	1.1
205.05196	1.1
205.07126	1.3
209.04543	36.4
210.04968	2.2
221.04539	10.7
223.06091	1.6
235.06038	2.7
239.05598	14.7
251.05612	100.0
252.05959	5.2
260.84921	1.1
263.05588	5.1
281.06677	60.0
282.06891	3.8
293.06717	4.0
305.77963	1.4
311.07932	18.6
312.07971	1.8
341.08997	1.2
353.08627	6.0
371.09866	17.2
383.09802	4.0
401.10870	3.6
431.15570	1.3
453.55582	1.3
491.13730	10.8
492.15182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31350	0.8
57.03458	1.4
59.01384	3.9
69.03461	1.1
71.01383	3.2
71.55585	1.1
73.02966	1.8
75.00866	1.0
81.03457	5.8
83.01364	9.3
83.04971	0.9
85.02959	3.9
89.02455	2.6
92.63567	0.8
93.03445	1.9
95.01393	2.1
95.05012	4.2
97.02966	3.8
99.00903	1.3
99.04530	1.8
107.01345	0.9
107.05045	2.4
109.02968	1.5
111.00901	1.7
111.04513	2.1
113.02435	2.2
119.05017	1.9
121.02964	3.2
123.04536	15.5
125.00985	1.0
125.02449	8.0
129.40308	0.9
130.99901	1.0
131.03522	1.2
135.04517	4.0
137.02463	3.1
137.06082	6.7
139.04007	6.9
142.21585	0.9
149.04572	15.4
151.04022	2.3
153.05594	1.5
161.06075	1.1
163.04033	4.0
165.01952	2.0
165.05528	5.1
167.03493	27.1
168.03860	0.9
177.05583	1.9
179.03497	6.1
181.05067	1.9
191.03612	1.6
193.05054	2.6
197.04501	3.6
205.01363	0.9
207.02951	0.9
207.06532	1.6
209.04556	49.0
210.04849	3.1
211.60014	0.9
221.04564	9.5
223.06142	1.5
223.43228	1.1
233.04575	1.9
235.06107	3.0
239.05595	14.9
248.03194	1.8
251.05611	100.0
252.05937	6.6
263.05707	5.6
265.07208	2.0
269.06604	1.3
281.06668	65.0
282.07272	4.7
282.09686	0.8
293.06635	3.0
311.04626	1.5
311.07809	17.6
312.08014	1.4
323.07642	1.4
345.41150	1.0
353.08569	5.3
371.09857	27.0
372.10272	2.5
383.09784	3.7
401.10751	2.6
491.14127	19.5
492.14294	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	491.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32215	1.0
56.08554	1.1
59.01381	4.4
61.98822	3.2
66.38869	1.2
71.01377	2.9
74.97059	1.2
85.02941	1.6
91.05537	41.2
92.05875	1.5
95.05049	2.3
98.19673	1.3
101.02456	2.1
108.02177	3.5
113.02466	1.7
115.05540	23.7
117.07108	32.8
118.07458	1.7
119.05008	2.0
122.32057	1.2
123.04529	100.0
124.04903	2.5
127.13309	1.2
132.05826	1.3
133.06598	93.5
134.06946	2.8
135.04524	5.5
143.04997	2.9
161.04607	8.6
161.06067	98.2
162.05060	1.1
162.06442	6.0
162.60153	1.2
163.04004	48.9
164.04388	1.5
177.05508	1.7
187.04002	93.7
188.04372	3.9
205.05049	18.9
223.06178	4.0
285.09702	8.6
327.08813	3.0
446.63614	1.4
465.21030	1.5
473.14551	1.7
478.69809	1.3
491.15625	23.1
491.32330	1.7
492.15677	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	491.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	84.5
61.98833	6.7
62.51814	1.0
69.29203	8.3
71.01384	8.7
73.02950	3.2
75.00867	1.7
85.02963	3.0
87.00839	1.0
89.02446	3.8
91.05536	44.0
93.03448	1.1
94.74688	1.0
95.05060	2.7
101.02448	5.3
108.02170	11.7
113.02448	4.2
115.00381	1.1
115.05537	23.6
117.07106	32.9
119.03492	1.0
121.02980	1.4
122.06114	1.3
123.04530	100.0
124.04850	3.9
131.03549	1.0
133.06601	77.0
134.06966	3.7
135.04541	4.2
143.05011	3.1
151.00340	3.0
152.01157	17.7
161.04608	10.4
161.06065	90.2
162.06429	4.1
163.04013	30.4
164.04445	1.7
164.84514	1.3
166.02779	7.5
167.03491	26.4
168.03870	1.2
175.02499	2.3
177.05632	1.2
178.99841	4.3
181.05075	11.3
187.04005	96.5
188.04329	4.0
205.05054	19.3
223.06114	3.2
229.08731	1.2
257.12906	2.6
269.04535	12.2
285.09799	10.6
329.05612	1.0
330.35031	1.1
332.72168	1.0
364.86734	1.0
371.20944	2.2
389.21869	3.8
390.87827	1.2
431.22937	4.4
491.16147	12.9
492.16241	1.5
500.98260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88184	1.6
59.01135	1.9
59.01383	17.1
61.98835	10.0
67.11299	1.6
71.01372	5.4
71.56237	2.3
73.02938	2.6
74.15370	1.8
83.01402	1.4
85.02965	3.8
89.02453	2.1
91.05531	5.5
95.01398	2.2
101.02429	5.2
106.63336	1.4
107.83298	1.6
115.05486	2.7
117.07069	3.6
122.51347	1.5
123.04494	9.8
133.06595	9.4
149.02431	3.2
153.01961	3.5
154.60538	1.4
159.03180	1.7
161.04552	4.0
161.06093	7.7
163.04077	3.8
164.04796	1.8
171.96091	1.5
175.04057	1.9
187.04019	9.6
188.04332	1.7
205.05089	2.1
211.04008	32.4
212.04321	1.9
223.06096	3.9
225.05540	5.0
229.08667	4.5
254.05836	65.4
255.06163	4.6
269.08179	100.0
270.08514	6.1
271.16519	1.6
447.22385	4.2
491.24179	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	491.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01381	29.7
61.98832	17.1
69.41103	1.0
71.01381	12.7
71.56966	1.5
72.99272	1.0
73.02937	3.3
75.00876	2.6
83.01382	2.3
85.02938	5.2
87.00884	3.1
89.02441	5.1
91.05534	29.8
93.03458	2.2
94.31635	1.0
95.05029	1.8
99.00891	2.4
99.04508	2.4
101.02452	8.2
109.02945	1.0
112.31347	0.9
112.98804	2.1
113.02468	4.7
115.00377	1.6
115.04715	1.3
115.05537	27.5
116.05891	1.0
117.03457	4.9
117.07109	30.3
119.03491	2.6
119.05029	1.2
121.02938	1.2
123.04527	95.4
124.04836	3.4
125.02421	2.0
133.06596	58.0
134.06938	2.7
135.04547	4.4
137.02435	1.0
143.03455	1.6
143.05006	2.3
145.02940	3.0
149.02449	7.5
153.01874	1.4
161.02425	1.9
161.04596	10.6
161.06070	83.5
162.06413	4.2
163.04010	18.6
164.04372	1.1
167.03494	1.6
173.00975	1.3
173.02393	1.0
175.02466	3.4
175.03804	0.9
177.05559	1.6
179.03387	0.9
179.05598	1.2
181.05016	1.7
187.04008	100.0
188.04399	4.2
191.03520	2.5
205.05086	16.4
223.06065	2.5
225.06636	1.6
268.32190	1.0
285.09799	11.2
303.76736	1.0
311.05588	1.5
349.97626	0.9
431.10971	1.3
431.23068	2.5
491.15335	3.9
491.21500	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	491.1559
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
59.01105	2.4
59.01381	41.0
61.98823	15.6
71.01390	12.4
71.18925	2.7
73.02938	7.3
75.00855	2.4
83.01382	3.1
85.02954	4.1
89.02440	2.9
89.20784	1.7
91.05535	22.0
93.82925	1.5
95.01364	1.7
95.05026	3.3
101.02451	12.9
105.03465	2.1
107.04997	1.7
108.02156	4.3
109.02940	4.7
113.02447	5.1
115.05538	35.5
117.03396	2.1
117.07110	34.1
119.03581	1.9
119.05027	2.1
119.41492	1.4
120.02169	3.6
123.04529	91.4
124.04806	2.9
125.02479	2.5
132.02174	16.0
133.03009	2.1
133.06610	19.9
134.03728	15.2
135.04512	4.9
138.03160	6.9
143.03476	2.7
143.04996	4.7
149.02469	1.4
149.06049	2.1
152.01134	6.3
153.01936	5.1
153.05579	33.8
154.05870	2.1
160.01669	68.9
161.02419	4.0
161.04604	9.5
161.06076	73.9
162.06435	2.4
163.04027	12.3
167.03474	2.0
175.04015	67.4
176.04324	3.3
178.02628	2.0
179.03493	2.7
182.24371	1.6
187.04018	100.0
188.04329	5.5
193.05092	13.7
205.05069	10.2
209.15475	2.7
268.57092	1.5
279.40283	1.5
285.09930	4.2
298.82404	1.6
315.07031	3.0
337.09314	45.0
338.09625	2.5
491.15305	19.6
492.16544	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	491.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01381	29.7
61.98832	17.1
69.41103	1.0
71.01381	12.7
71.56966	1.5
72.99272	1.0
73.02937	3.3
75.00876	2.6
83.01382	2.3
85.02938	5.2
87.00884	3.1
89.02441	5.1
91.05534	29.8
93.03458	2.2
94.31635	1.0
95.05029	1.8
99.00891	2.4
99.04508	2.4
101.02452	8.2
109.02945	1.0
112.31347	0.9
112.98804	2.1
113.02468	4.7
115.00377	1.6
115.04715	1.3
115.05537	27.5
116.05891	1.0
117.03457	4.9
117.07109	30.3
119.03491	2.6
119.05029	1.2
121.02938	1.2
123.04527	95.4
124.04836	3.4
125.02421	2.0
133.06596	58.0
134.06938	2.7
135.04547	4.4
137.02435	1.0
143.03455	1.6
143.05006	2.3
145.02940	3.0
149.02449	7.5
153.01874	1.4
161.02425	1.9
161.04596	10.6
161.06070	83.5
162.06413	4.2
163.04010	18.6
164.04372	1.1
167.03494	1.6
173.00975	1.3
173.02393	1.0
175.02466	3.4
175.03804	0.9
177.05559	1.6
179.03387	0.9
179.05598	1.2
181.05016	1.7
187.04008	100.0
188.04399	4.2
191.03520	2.5
205.05086	16.4
223.06065	2.5
225.06636	1.6
268.32190	1.0
285.09799	11.2
303.76736	1.0
311.05588	1.5
349.97626	0.9
431.10971	1.3
431.23068	2.5
491.15335	3.9
491.21500	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	491.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03456	0.8
59.01381	13.4
60.28691	0.6
61.98832	1.2
69.53841	0.8
69.54250	3.7
71.01379	10.9
72.99314	0.8
73.02950	3.6
83.01391	1.0
84.02165	0.7
85.02961	5.5
87.00873	1.1
89.02448	3.9
95.01386	0.7
99.00880	1.1
101.02447	8.9
103.04009	1.3
113.02460	4.3
119.03484	1.4
125.02387	0.7
131.03508	0.9
143.03502	1.7
159.03065	0.8
161.04570	6.9
163.06126	1.1
188.88419	0.6
199.35486	0.6
202.41615	0.6
205.07144	1.1
211.04001	24.8
212.04308	1.0
224.04633	0.9
225.05560	3.7
239.03549	5.1
253.05127	1.7
254.05843	58.6
255.06142	3.4
257.04608	1.2
269.08185	100.0
270.08536	7.3
272.06830	1.2
287.09302	1.0
345.19199	9.7
346.19434	0.6
491.24185	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	491.1769
Annotation	Diospyrososide
Peak:m/z	Relative Intensity
55.01888	1.4
57.03441	1.3
58.00597	0.8
59.01379	18.6
61.98839	0.9
68.20570	0.5
69.03450	0.6
69.28430	2.0
69.28852	2.7
71.01381	25.8
72.99308	1.6
73.02940	9.6
80.97166	0.5
81.03493	0.6
81.06213	0.5
82.49540	0.5
83.01392	2.2
85.02946	13.6
86.00099	1.2
86.98544	0.5
87.00880	4.3
87.04520	1.6
89.02438	5.6
95.01393	1.7
97.02952	0.7
99.00896	2.7
99.04466	1.0
101.02441	17.9
101.74549	0.5
102.02750	0.6
103.04017	2.1
108.08018	0.5
110.00108	2.6
111.62730	0.5
113.02448	14.8
114.02767	0.7
115.04004	2.4
119.03510	1.3
123.04517	0.8
125.02439	4.1
129.01904	0.8
131.03473	3.9
135.61961	0.5
137.99571	3.2
143.03499	8.3
145.05049	0.8
153.01932	96.9
154.02275	2.3
159.02979	2.1
161.04552	27.5
163.06104	1.2
167.03502	1.6
168.04271	100.0
169.04605	3.0
183.06613	81.4
184.06958	3.4
195.89709	0.5
205.07176	6.3
267.08752	1.1
307.10049	0.8
345.11835	4.3
384.39438	0.7
491.11496	0.8
491.17816	11.6
492.17908	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	18.3
61.98819	13.7
71.01366	8.6
71.54704	9.3
91.05541	13.6
99.25679	6.9
117.07191	10.0
121.32978	6.2
123.04533	36.0
133.06639	33.2
161.06122	35.8
163.03979	22.2
165.05539	26.7
187.03981	29.5
202.68987	7.2
205.05052	10.9
223.13359	9.9
225.05594	7.9
293.21222	100.0
358.37680	7.8
378.52563	6.9
491.29688	10.2
492.26636	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	491.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12748	0.6
55.01880	4.8
56.22324	0.6
57.03221	0.6
57.03448	5.6
58.00593	3.1
59.01381	82.9
60.01722	0.7
61.98823	4.5
68.99834	0.8
69.03458	2.0
71.01383	100.0
71.56552	0.9
71.57222	0.7
72.01720	1.2
72.99310	6.9
73.02949	31.3
73.40845	0.7
75.00874	2.5
81.03472	0.7
83.01391	14.0
85.02950	52.4
86.00055	1.6
87.00881	10.3
87.04520	2.6
89.02445	33.1
91.05531	1.1
95.01395	8.5
97.02969	3.6
97.06564	0.7
99.00880	11.5
99.04525	0.7
101.02444	75.3
102.02785	1.0
103.04012	8.5
107.38141	0.6
113.02451	42.1
115.04005	2.9
115.05552	0.8
119.03506	14.0
122.00179	0.6
123.04539	2.3
125.02451	3.7
127.04062	1.6
129.01906	1.4
131.03497	7.8
131.52081	0.7
133.06581	1.4
143.03500	12.8
145.02913	0.9
145.05051	2.3
149.04491	1.1
159.03011	8.6
161.04558	57.3
162.04938	1.6
163.03970	1.9
163.06117	7.0
165.12810	3.9
179.05580	3.1
183.08136	1.0
187.03964	2.8
205.03429	1.3
205.07156	11.3
211.04056	4.1
221.06685	3.3
242.75674	0.8
242.90298	0.7
247.08195	0.8
254.05849	9.5
269.08191	14.0
270.08591	1.0
272.06958	0.9
327.18085	2.5
329.23346	1.0
345.19162	94.1
346.19476	6.8
346.97327	0.7
449.23840	1.2
473.23651	1.1
484.98993	0.7
491.24814	53.2
492.25125	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	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03452	1.5
59.01379	100.0
60.01708	0.9
61.98833	1.8
68.46242	0.6
71.01382	27.1
72.99316	1.0
73.02948	8.7
75.00864	1.2
76.02631	0.7
83.01395	4.1
85.02955	10.5
86.00098	0.8
87.00887	3.0
87.04527	2.0
89.02448	13.2
91.05548	1.0
95.01391	2.2
97.02937	1.1
99.00901	2.9
101.02450	16.8
103.04025	2.4
113.02454	12.0
113.03239	0.8
115.03992	1.2
115.05537	1.3
117.03474	3.3
117.07124	1.2
119.03525	5.9
125.02406	1.5
131.03528	2.3
133.06566	0.8
143.03545	4.3
149.01431	0.6
149.02426	3.6
159.03008	1.5
159.06682	1.5
160.15707	0.7
161.02472	1.6
161.04594	10.6
161.06081	2.7
163.06125	4.2
166.90291	0.7
173.28156	0.8
179.05644	4.2
187.04037	4.4
191.03545	1.1
195.60172	0.6
205.07254	3.0
243.74895	0.7
255.03197	0.7
256.03311	1.5
257.03677	1.0
259.06186	0.7
284.03235	1.3
285.03888	1.9
286.04031	2.6
287.04782	0.8
311.05768	1.6
319.29932	0.7
338.77209	0.8
345.19156	16.9
346.19540	1.0
371.20532	1.3
389.21964	2.6
431.22937	1.5
491.11252	2.4
491.24930	17.3
492.25528	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92628	0.6
54.86132	0.6
55.01909	0.7
57.03443	1.5
59.01383	100.0
61.43449	0.6
61.98825	9.7
63.87571	0.6
68.99856	0.7
69.03470	0.7
71.01386	23.9
72.01742	0.8
72.99323	2.7
73.02952	19.5
75.00869	3.3
83.01382	4.7
83.05004	0.7
85.02952	7.3
87.00887	2.7
89.02459	7.0
95.01432	1.0
99.00883	1.7
101.02452	24.6
103.04025	1.4
109.25967	0.6
110.38747	0.7
111.01002	0.8
111.08165	0.9
113.02452	12.0
114.02834	0.7
117.84464	0.7
119.03474	3.9
119.05039	0.7
123.04555	2.1
125.02486	1.7
126.90527	2.2
131.03526	1.8
143.03465	3.9
149.04570	3.2
153.09251	5.4
159.03011	0.8
161.04572	10.2
163.06165	1.1
165.12817	1.2
181.08751	0.7
183.04546	1.4
187.04108	0.9
190.02806	0.9
203.05632	0.7
205.07245	1.4
209.15443	6.4
221.06711	1.5
227.03528	1.1
229.44839	0.8
255.02989	0.9
257.03732	1.0
284.03281	1.2
285.03848	1.0
286.04013	1.1
345.19186	12.8
346.19766	1.1
350.00525	0.7
371.20721	6.0
389.21906	3.8
431.22827	10.5
432.23621	1.5
491.11047	0.8
491.25018	10.6
492.25342	1.4
498.72397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2664
Annotation	Mucronine B
Peak:m/z	Relative Intensity
57.75672	0.4
59.01373	0.8
61.98817	0.5
66.03484	1.0
68.88708	0.4
71.02505	3.7
71.26124	0.7
72.32864	0.4
77.87849	0.4
78.32835	0.3
80.04974	0.4
82.01734	0.7
83.02524	0.6
97.00454	0.6
98.01182	0.5
99.02000	0.7
110.03626	1.9
111.02040	0.6
112.85839	0.4
115.08774	11.9
116.05049	1.4
118.06647	3.7
119.65781	0.5
125.07228	3.0
126.05601	2.1
131.05043	0.5
139.05107	0.7
141.06705	4.5
143.08284	0.6
145.02971	0.5
146.06120	9.2
147.04472	0.4
152.08310	1.5
153.06677	1.0
153.09064	0.4
157.05348	0.6
163.08775	0.9
164.53001	0.5
168.07753	1.1
169.13449	0.6
170.09337	2.7
173.07224	1.3
174.05562	1.2
179.11887	3.8
180.10393	0.4
189.06639	0.5
194.12987	0.9
196.14616	1.3
197.07903	0.6
197.12962	0.5
200.10771	1.2
202.07423	0.4
202.12317	0.6
214.15585	3.9
217.13429	1.8
222.12448	1.0
224.14091	0.5
227.11853	3.3
228.10237	2.6
240.07738	0.9
240.13460	0.6
245.12962	2.7
248.10721	0.5
251.15225	0.6
262.15607	3.4
269.16156	1.2
283.17993	0.5
295.22797	0.8
299.17740	0.7
310.15631	0.7
316.20142	0.6
326.18716	4.4
327.18860	0.5
344.19922	3.0
382.57468	0.4
460.33887	0.5
473.25748	0.8
491.26624	100.0
492.26895	13.4
499.63223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
58.00586	0.2
59.01381	4.7
68.99790	0.1
70.78605	0.3
70.78982	0.3
71.01003	0.2
71.01386	3.3
72.99300	0.3
73.02936	0.8
78.95895	0.6
83.01382	0.5
85.02943	0.9
87.00875	0.6
89.02448	2.9
95.01353	0.3
97.02940	0.3
99.00874	0.3
101.02443	3.7
113.02453	1.7
115.04058	0.2
119.03498	1.1
120.45916	0.2
122.64648	0.2
129.77533	0.1
131.03447	0.2
133.05038	0.2
143.03522	0.3
145.02950	0.3
152.99600	1.4
161.04604	1.1
179.05579	0.4
201.69560	0.2
205.19948	0.2
235.08220	1.5
253.09297	11.4
254.09508	0.4
255.23291	100.0
256.23630	7.3
350.97635	0.1
451.07214	0.2
515.79785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22726	0.1
55.01876	0.2
56.15212	0.1
58.00608	0.2
59.01379	4.6
64.99686	0.1
65.49503	0.1
70.12562	0.4
71.01379	4.7
72.99295	0.2
73.02950	0.8
78.95918	0.2
83.01372	0.6
85.02953	1.2
87.00890	0.7
89.01922	0.2
89.02447	4.0
91.04025	0.3
95.01418	0.2
97.02953	0.2
99.00876	0.4
101.02444	4.4
113.02454	2.0
119.03492	1.2
125.02443	0.2
131.03468	0.2
133.05092	0.3
143.03468	0.4
157.04916	0.2
161.04562	1.5
170.91003	0.1
179.05623	0.5
235.08223	1.4
237.22166	0.2
238.99400	0.1
253.09285	13.8
254.09627	0.7
255.23288	100.0
256.23627	7.7
474.23938	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.4
61.98829	100.0
70.55738	1.1
70.63113	0.4
71.01381	1.2
85.02939	0.8
89.02432	0.9
101.02460	0.8
111.13477	0.4
113.02440	0.6
127.34543	0.4
155.46890	0.4
227.42592	0.4
268.23709	0.4
405.70505	0.4
433.24509	0.6
491.31042	0.6
492.21439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50785	0.7
59.01383	8.2
60.01697	0.6
61.98832	100.0
71.01388	2.7
71.56322	1.2
83.01408	0.9
88.22218	0.6
89.02445	1.3
91.05537	1.2
93.03465	1.0
98.95320	0.6
101.02480	1.3
105.03496	0.6
113.02438	0.9
117.03477	9.8
118.03793	3.7
123.04547	2.8
124.04883	0.7
125.02432	1.0
133.06622	1.2
149.02444	12.6
150.02821	4.5
161.02477	2.7
161.04694	1.2
161.06134	2.2
162.02797	1.0
162.06476	1.5
163.04051	0.8
173.02405	1.6
174.02831	1.2
175.00330	0.6
176.37839	0.6
179.03642	1.0
187.04018	1.9
188.04341	1.2
191.03525	3.7
192.03929	2.2
217.01431	2.0
218.01756	1.1
223.13496	2.0
267.12375	4.4
270.07010	1.0
311.05621	1.6
312.05872	3.7
354.07211	0.8
381.83585	0.7
429.17706	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
57.03454	0.7
59.01381	9.0
60.01719	0.5
61.33189	0.5
61.98832	100.0
65.10783	0.5
69.31245	4.6
71.01384	6.9
73.02952	1.9
75.00864	0.7
82.72707	0.4
83.01402	1.6
85.02951	4.5
85.64168	0.5
87.00892	0.7
87.04530	0.5
89.02448	2.8
98.19865	1.0
99.00893	0.8
99.04524	1.1
101.02441	6.4
102.02799	1.0
104.65452	0.5
106.06646	1.9
113.02438	3.0
116.91663	0.5
117.03449	0.7
119.03535	1.0
121.02986	1.4
123.04531	0.9
125.02459	1.1
126.81449	0.5
131.03586	0.6
135.50452	0.4
143.03481	0.7
145.02985	1.2
147.04109	0.8
150.05656	1.7
161.04591	2.0
161.05975	0.7
162.04887	0.6
167.03545	0.8
179.05685	0.7
179.07132	0.8
180.07408	0.5
227.12717	0.6
248.78725	0.5
257.04474	1.2
258.05087	1.2
271.06113	1.1
272.06592	2.5
273.07190	0.9
287.09610	0.8
288.09775	1.5
311.07724	0.6
312.08206	0.7
329.16125	1.6
330.16275	2.3
331.17563	1.0
433.24490	0.9
477.13800	1.4
492.15994	2.9
492.22070	1.3
493.22699	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	492.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.97282	0.8
70.56104	2.1
70.56459	0.9
98.35433	0.7
117.85385	0.8
139.35100	0.7
193.69527	0.9
220.63701	0.7
500.98972	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	50.9
61.98830	66.7
65.52831	17.4
65.92328	18.5
69.47786	100.0
69.48203	32.9
89.22962	16.9
170.31525	18.7
276.81720	19.8
383.35471	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.6
59.01381	100.0
60.01722	1.0
61.98834	4.4
71.01385	4.4
73.02969	1.1
83.01388	0.7
84.09901	0.6
85.02967	1.9
87.00871	0.6
89.02469	1.7
98.19825	1.3
98.56959	0.6
101.02441	3.8
113.02460	1.9
119.03513	0.6
125.02488	1.1
131.03563	0.7
137.02467	0.7
143.05066	2.0
149.99557	1.1
161.04604	2.2
168.00610	1.4
197.11923	1.9
212.98477	0.6
213.05482	3.6
221.06894	0.6
236.23557	0.6
241.05078	14.6
241.07439	0.9
242.05479	1.0
256.07413	30.0
257.07928	1.9
271.09766	52.4
272.10132	4.1
331.17755	0.8
405.92166	0.6
493.10364	1.4
493.23312	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	493.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21033	1.1
55.01877	1.4
57.03452	78.9
59.01382	100.0
61.98835	12.4
71.01388	34.8
71.15179	2.2
72.99303	2.0
73.02940	6.6
81.03466	3.1
83.01392	2.0
85.02961	13.4
87.00869	3.3
87.04536	1.8
89.02439	21.1
95.01398	2.5
99.00921	1.9
99.04523	90.3
101.02444	34.7
103.27582	1.5
113.02451	19.7
119.03515	10.0
125.02456	36.1
131.03552	1.5
143.03510	7.4
144.75363	1.4
161.04604	11.4
163.06110	1.5
166.10507	1.4
179.05611	3.7
187.13370	5.8
205.07207	1.7
233.51903	1.3
331.17615	19.2
347.17090	5.9
349.18674	51.2
349.22992	2.6
350.18991	4.8
391.19751	8.5
433.24338	5.4
493.22888	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	493.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.9
57.03447	6.4
58.00580	2.1
59.01380	54.5
60.82943	0.8
61.98529	1.1
61.98828	14.4
69.03458	1.6
69.28310	8.5
71.01382	100.0
71.29779	0.8
72.01692	1.3
72.59051	0.7
72.99290	2.5
73.02950	32.3
75.00879	1.3
77.15250	0.7
77.68555	0.8
80.82670	0.8
81.03445	0.8
83.01389	14.1
85.02950	45.8
87.00869	4.9
88.44426	0.8
89.01257	0.8
89.02447	24.4
95.01388	8.1
97.02942	3.6
99.00884	12.9
101.02444	81.0
110.13625	0.8
110.55042	0.8
111.00896	0.9
113.02445	42.9
114.02766	1.2
115.03965	1.0
115.92056	1.4
116.92847	3.7
119.03503	9.1
125.02434	6.3
129.01949	2.2
129.91426	0.7
131.03505	2.3
134.96446	0.7
143.03526	8.4
145.47649	0.8
149.04437	0.9
159.02960	8.1
161.04553	54.9
162.04919	1.8
176.01196	2.4
179.05647	5.7
191.01921	1.1
191.03500	2.4
199.63351	0.9
221.06673	1.5
263.07779	1.4
271.19110	1.0
311.05402	1.0
331.17621	27.7
332.17816	1.7
347.17004	1.3
431.09738	1.4
433.24411	7.3
451.21826	2.5
493.22900	65.4
494.23392	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	493.2298
Annotation	Rhodioloside B
Peak:m/z	Relative Intensity
55.01886	2.3
57.03449	4.1
57.74548	0.8
58.00592	3.9
59.01380	100.0
60.01719	2.5
60.71009	0.9
61.98835	7.1
69.03479	1.7
69.53999	3.8
69.54401	2.2
71.01385	80.4
72.01719	3.7
72.99314	6.8
73.02950	31.0
74.03284	1.0
75.00886	3.5
75.03390	1.0
78.69651	0.8
83.01393	6.5
85.02953	37.6
86.00108	3.4
86.03263	1.7
87.00882	19.7
87.04510	5.8
89.02449	51.0
90.02798	1.7
95.01390	5.1
97.02934	1.7
99.00912	5.0
99.04539	1.7
101.02448	63.8
102.02786	2.8
103.00361	3.1
103.02904	1.5
103.04017	14.9
104.04420	1.0
109.02967	0.9
111.00908	1.3
113.02457	39.8
113.03254	2.2
114.02785	1.9
115.02831	1.8
115.04025	8.1
119.03507	25.8
125.02452	4.5
127.04005	1.9
129.01961	1.2
131.03503	17.9
137.09727	1.4
137.99577	1.0
143.03497	22.5
144.03860	1.8
145.04048	1.5
145.05077	4.1
149.04520	0.9
149.09720	12.5
153.00699	1.6
153.01944	31.0
154.02289	14.4
155.02419	9.5
159.02983	4.5
161.04556	33.7
162.04900	3.5
163.05025	2.1
163.06140	29.0
167.10735	2.1
168.02895	2.0
168.04283	30.8
169.04628	15.4
170.04779	10.7
179.05565	5.6
183.06633	21.3
184.06978	12.1
185.07130	11.5
192.88057	1.0
205.05298	1.1
205.07162	28.7
206.07509	1.6
207.07635	1.7
221.06659	16.7
235.34729	0.9
247.08238	7.1
253.58868	1.1
329.15930	3.3
346.12247	1.1
347.12970	1.7
347.17068	10.8
367.12451	17.9
368.12805	2.0
457.20215	1.6
463.21741	3.1
475.21799	10.0
476.21771	1.4
493.23682	20.8
494.23538	2.4
495.48639	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03437	4.6
58.00586	3.7
59.01380	92.4
60.01706	1.3
61.98533	1.6
61.98830	25.9
68.50623	1.1
69.03430	2.5
71.01380	67.2
71.56234	1.8
72.16151	1.0
72.99308	6.9
73.02943	27.3
75.00884	1.6
81.03430	1.5
83.01394	9.1
85.02954	42.7
86.00076	1.8
87.00882	13.9
87.04527	5.6
89.02445	38.1
95.01385	5.9
95.04980	1.1
97.02914	2.0
97.06568	1.2
99.00880	7.2
99.04519	3.1
101.02439	60.5
103.04014	8.9
108.02133	1.4
112.01623	1.0
113.02449	38.5
115.04045	5.9
119.03490	13.2
123.04520	2.3
125.02460	7.5
127.04053	1.5
127.49952	1.1
131.03505	8.2
137.02394	2.4
143.03496	20.4
145.05048	3.7
149.04536	1.2
153.01886	1.7
159.02963	3.7
161.04558	20.1
163.06119	12.8
168.04237	3.5
175.02374	1.3
179.05540	4.4
180.24614	1.1
183.06586	4.4
185.11800	6.4
205.07184	23.8
209.04573	2.6
245.13976	2.3
246.42334	1.2
248.63437	1.3
281.06506	1.8
329.16129	6.4
347.17087	89.3
348.17322	8.1
373.09274	2.7
433.24326	1.5
493.22891	100.0
494.23105	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	493.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70990	25.8
50.83917	24.9
52.82072	25.6
59.01385	24.8
61.98819	49.9
66.93544	24.7
71.01379	29.5
71.54864	41.1
104.16667	27.2
111.90550	30.5
151.86052	27.3
188.84724	25.1
224.93224	27.6
261.20865	27.2
265.42831	29.6
277.21701	100.0
348.38513	25.1
351.51303	28.4
355.80972	29.1
356.08963	27.3
374.07660	31.0
446.81958	33.0
515.13147	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25005	3.5
59.01380	99.8
61.57536	3.7
69.45526	31.3
106.70617	4.0
111.04504	12.9
121.06612	5.8
122.03703	11.0
123.04552	33.8
127.09760	4.7
128.86768	4.1
132.68379	4.1
139.07622	14.5
152.04343	4.7
181.08609	4.7
281.13907	4.4
323.29495	13.1
361.34958	9.4
389.34216	100.0
390.34689	12.6
407.35257	21.7
433.33200	14.1
452.25653	5.3
466.03400	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98879	13.8
52.63981	14.1
61.98824	85.8
67.52563	10.9
68.05389	12.5
69.32940	100.0
98.19877	26.7
119.99911	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	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01381	18.0
61.98830	57.7
69.58266	6.0
69.58682	5.8
71.01393	14.0
73.02943	4.6
80.28074	1.7
85.02971	4.9
89.02446	5.2
93.03484	2.5
101.02443	8.3
113.02453	5.2
117.03480	9.5
119.03485	2.4
130.13766	2.0
135.04579	2.9
149.02531	2.6
159.04512	1.8
161.02440	5.6
161.04587	4.0
163.03918	3.8
179.03560	2.1
191.03525	2.7
202.83305	1.7
206.92174	1.8
239.07083	2.0
252.85251	1.8
257.52432	1.8
268.03815	1.7
269.04617	4.5
281.04526	3.5
283.06119	52.5
284.06500	5.2
311.05606	95.3
312.05817	6.6
323.05569	4.3
341.06653	8.9
342.06580	1.6
347.17029	2.0
431.09802	100.0
432.10385	9.0
439.97949	1.8
479.17847	1.8
493.22998	4.7
494.23444	6.6
500.35239	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	494.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49626	0.5
59.01383	8.2
61.98833	100.0
64.53477	0.6
65.30798	0.5
68.99812	1.1
71.01399	4.7
72.99297	0.7
73.02958	1.9
75.00919	0.7
77.48660	0.5
85.02957	1.6
87.00903	1.2
89.02456	3.4
93.83134	0.7
95.01411	0.7
97.02925	0.7
98.20658	1.4
99.00894	2.6
99.59185	0.5
101.02452	4.7
113.02448	1.8
119.03535	2.4
125.02415	0.8
131.03470	1.2
143.03517	1.3
161.04555	1.0
163.06136	2.5
164.06497	0.7
179.05644	0.6
205.07173	2.5
227.03542	5.3
247.08238	0.9
255.03020	8.4
256.03702	1.3
257.04590	0.8
284.03265	9.0
285.04041	8.3
286.04510	0.7
307.17578	1.0
393.17712	1.0
394.18066	1.5
431.09851	16.6
432.10129	1.4
453.23657	1.9
488.34665	0.8
493.22836	1.1
494.23389	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	494.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.7
61.98830	100.0
68.09548	0.4
69.05335	0.4
69.86548	1.2
69.86958	1.3
71.01381	2.2
71.59216	0.4
72.99340	0.5
73.02944	0.9
85.02937	1.2
89.02472	1.3
101.02451	1.6
113.02435	0.9
211.04019	0.6
239.03410	0.9
254.05899	1.8
269.08151	3.2
309.46524	0.5
431.13861	0.9
431.51477	0.5
495.26355	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96341	0.4
59.01380	3.5
61.98830	100.0
69.41275	0.5
71.01390	1.3
73.02913	0.8
73.05576	0.5
85.02946	0.6
89.69885	0.5
90.28383	0.5
93.38602	0.5
101.02452	1.7
110.62672	0.5
113.02477	0.7
116.15594	0.5
119.29795	0.5
141.09430	0.5
145.49512	0.5
162.49873	0.5
193.79614	0.5
316.31985	0.5
395.19565	0.9
407.75912	0.5
417.09552	1.1
420.12177	0.5
432.24197	0.6
435.14490	1.2
447.14386	4.1
460.05478	0.5
465.15552	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	494.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77341	0.3
59.01369	1.6
61.31696	0.3
61.98831	100.0
63.47482	0.3
69.20522	2.0
69.20943	1.1
71.01394	0.8
71.60143	0.3
83.22805	0.3
99.33203	0.3
101.02412	0.4
127.23829	0.3
157.87769	0.3
270.08694	0.5
376.10831	0.3
483.36148	0.3
493.30255	0.8
494.30832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38787	0.3
59.01379	1.8
59.95530	0.3
60.77401	0.3
61.61064	0.3
61.98830	100.0
62.98549	0.3
65.38549	0.3
69.38686	1.5
69.39112	0.8
71.01398	1.0
73.02938	0.4
76.51070	0.3
77.80116	0.3
88.98824	0.6
89.02448	0.6
101.02459	0.7
113.02442	0.3
163.06114	0.3
349.18912	0.3
407.53174	0.3
434.25287	0.3
495.24432	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54505	0.8
58.37737	0.9
61.98830	100.0
71.03383	1.7
71.03702	1.1
110.45690	0.9
119.04957	0.9
145.02965	5.1
161.78429	0.9
261.18805	0.9
297.47592	1.0
349.33771	0.9
431.24207	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	494.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26573	1.2
57.41197	1.1
61.98832	100.0
68.58359	1.5
98.16705	1.1
107.37401	1.3
109.88842	1.2
142.85832	1.6
188.48624	1.3
204.24077	1.6
283.68536	1.4
296.23096	1.8
431.33664	3.9
449.32422	1.5
494.13098	5.8
501.84558	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	495.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98811	0.9
63.33122	0.6
64.61697	0.6
71.55865	1.1
85.04620	0.7
88.58783	0.7
98.69272	0.8
119.14706	0.6
128.90585	0.7
143.05054	1.0
167.05026	1.5
169.06569	1.5
175.77147	0.6
180.86937	0.6
185.05945	0.8
195.04564	1.5
196.05133	0.6
197.06017	1.1
205.21544	0.6
211.03998	3.2
212.04736	1.9
213.05573	28.2
214.05957	2.0
223.03928	1.1
225.05629	2.4
226.06514	0.7
239.03500	4.8
240.04176	3.5
240.07848	1.4
241.05061	65.4
242.05545	3.6
253.94200	0.6
255.06743	2.9
256.07434	8.1
257.07864	0.6
355.49161	0.6
422.11594	2.0
424.87894	0.7
425.56308	0.6
437.13828	1.9
447.12509	1.0
448.12744	0.8
449.14410	1.5
463.15506	0.8
464.12344	0.9
465.13309	18.6
466.13550	2.2
479.15063	2.6
480.15829	17.6
481.15942	3.4
495.18137	100.0
496.18427	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	495.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.1
58.00584	4.4
59.01379	100.0
60.99295	1.7
61.98829	20.4
69.03436	2.8
71.01383	64.6
71.55720	1.7
71.56110	1.3
72.99310	6.5
73.02946	21.4
75.00862	2.7
75.21400	1.3
78.95919	1.9
83.01379	7.6
85.02958	26.1
86.00125	1.7
86.14011	1.1
87.00883	17.6
87.04523	7.2
87.52503	1.1
88.98816	14.5
89.02447	54.3
93.03445	1.3
95.01378	4.2
97.02927	1.8
99.00864	3.0
99.04496	1.9
101.02448	54.6
103.04014	14.7
110.36668	1.1
113.02458	24.4
114.05624	10.4
115.03992	6.3
119.03512	23.2
123.00919	1.4
125.02434	1.6
127.04050	1.4
130.09846	1.5
131.03506	13.9
137.02473	1.9
143.03520	19.0
145.02977	1.6
145.05042	7.1
159.03008	1.8
161.04556	15.8
162.89371	1.8
163.06139	49.6
164.06487	1.9
167.03474	1.5
172.12070	4.5
175.02402	1.4
179.05644	5.2
187.13451	7.1
205.05258	1.5
205.07175	29.3
247.08257	12.2
272.65671	1.2
281.06583	1.8
311.37827	1.1
315.01654	1.4
324.90887	1.1
328.72443	1.1
331.17313	1.3
349.18665	43.3
350.19025	2.3
495.16312	2.5
495.24454	45.7
496.24792	4.8
496.32516	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.6
59.01381	34.6
61.98825	15.2
66.59981	3.3
67.86468	3.0
69.43629	7.6
69.44037	15.6
69.55273	3.7
71.01382	39.0
73.02958	19.1
83.01385	6.4
85.02948	21.1
89.02463	8.0
95.01413	10.2
98.19847	3.3
99.00869	6.5
101.02422	31.6
113.02464	23.0
117.26645	3.5
119.03457	5.2
125.02470	6.4
127.03963	3.3
136.01672	4.2
139.00371	4.2
143.03561	4.1
151.04024	4.4
159.87749	4.0
161.04573	17.0
168.00597	5.0
241.07083	3.2
251.71173	3.6
289.16522	49.3
290.16956	3.8
313.97870	3.2
346.09097	3.6
435.22339	100.0
436.22729	10.5
442.33783	4.0
495.10281	16.7
495.18063	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	496.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27406	1.5
59.01380	20.8
61.98833	100.0
63.76002	1.7
65.31554	1.4
65.71482	1.6
67.34455	1.4
69.40257	5.3
69.40675	7.5
71.01379	3.2
73.02940	1.7
83.01387	2.1
83.29229	1.5
85.02937	1.8
89.02459	2.3
101.02438	3.3
119.05032	6.5
151.00394	2.2
165.01910	2.5
193.01347	4.6
214.02635	1.6
263.11139	1.9
267.14865	1.5
292.32327	1.6
306.91904	1.6
313.07224	19.3
327.33167	1.8
329.16077	4.0
343.08102	3.7
347.16959	3.2
389.18170	6.0
404.50977	1.9
421.38818	1.7
433.11404	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	496.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95424	0.7
59.01380	6.7
61.98831	100.0
69.74718	4.0
71.01378	2.6
73.02937	1.2
73.26688	0.8
84.00439	0.9
85.02985	1.3
89.02438	0.9
89.55273	0.8
90.46284	0.7
96.40717	0.8
98.38792	0.9
100.58974	0.8
101.02436	1.7
113.02432	1.4
115.93237	0.9
117.54509	0.8
125.02467	1.8
168.00571	1.4
195.06598	1.3
217.28098	0.9
313.07208	2.2
379.14798	0.9
433.11343	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	496.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25442	0.5
57.03439	0.5
59.01384	5.7
60.39860	0.5
61.98833	100.0
62.98568	0.5
67.26984	0.6
71.01396	1.8
73.02963	0.7
85.02979	0.9
89.02477	0.7
99.00877	0.7
101.02473	1.2
111.16360	0.5
113.02464	0.7
131.41591	0.5
214.59276	0.5
279.00775	0.5
287.58011	0.5
497.27579	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	496.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.5
61.98830	100.0
69.52699	2.4
76.06459	0.3
93.13145	0.3
98.20619	0.5
138.33832	0.3
241.05170	0.8
256.07422	0.7
271.09763	1.6
371.73288	0.3
383.17810	0.4
433.15454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91371	0.2
59.01369	0.9
61.98828	100.0
69.38843	1.7
69.39254	0.4
71.01379	0.5
73.02955	0.2
81.62788	0.3
88.98824	0.4
89.02452	0.3
97.00151	0.2
98.20679	0.5
101.02420	0.4
139.91084	0.3
149.73401	0.2
161.04585	0.3
177.25961	0.2
184.48190	0.3
221.52222	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44959	0.4
53.79953	0.3
59.01377	3.7
61.98829	100.0
70.64029	0.4
71.01398	0.7
82.26978	0.4
85.02956	1.0
98.19823	0.7
101.02484	0.4
113.02518	0.5
117.47910	0.3
143.03564	0.4
152.03531	5.0
154.30586	0.4
161.04535	0.4
183.12990	0.3
199.99623	0.3
205.00255	0.4
205.43990	0.3
219.59892	0.4
229.45085	0.4
249.13495	1.0
308.18033	0.4
313.81259	0.4
389.18417	0.4
395.19107	2.1
451.33029	2.6
454.23917	0.5
460.14627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64308	0.3
59.01390	1.3
61.98832	100.0
71.01387	0.6
71.56187	0.4
71.85683	0.3
89.02429	0.6
101.02454	0.5
125.02292	0.3
127.18316	0.3
158.42671	0.3
172.91327	0.3
221.81398	0.3
299.73688	0.3
312.63077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98830	100.0
69.97935	0.7
69.98347	1.3
71.01376	0.8
73.02959	0.4
88.18135	0.4
89.02464	0.5
98.01404	0.3
98.20011	0.7
101.02444	0.5
113.02496	0.4
134.01369	0.3
229.18855	0.4
394.18301	0.6
396.52670	0.3
436.18863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61759	0.3
58.94615	0.3
59.01387	1.6
61.98833	100.0
69.38263	2.2
71.01377	0.8
76.34468	0.3
80.96342	0.3
85.02962	0.7
89.02454	0.5
94.59907	0.3
101.02445	0.4
146.12770	0.3
148.82388	0.4
150.74152	0.3
209.95253	0.3
239.59053	0.4
251.51299	0.4
252.03831	0.4
375.20282	0.4
389.10242	0.4
419.14926	0.9
431.14963	0.4
454.23849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71531	2.4
51.06965	2.3
55.25412	2.9
59.01357	3.1
61.98831	100.0
68.06738	2.4
69.70654	2.5
70.67363	8.1
80.06211	2.8
87.93544	2.7
106.12254	2.8
159.90787	2.5
199.16925	3.8
238.47667	2.4
297.95514	2.9
315.43317	3.1
401.67603	2.8
416.60904	3.1
479.17682	2.8
496.11060	2.8
496.18872	3.3
508.91400	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	496.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67770	1.4
61.28373	1.1
61.98830	100.0
63.09154	1.4
71.55157	1.6
71.55555	1.1
104.71295	1.1
131.51608	1.2
145.02943	7.3
153.42770	1.2
273.06833	1.1
322.50198	1.3
433.25967	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	497.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12532	0.8
57.36701	0.7
61.98829	1.9
64.27552	0.8
68.33092	0.8
69.32703	2.2
69.33122	6.5
108.02168	1.4
114.82121	0.8
147.42213	1.0
159.04530	1.3
171.98392	1.9
199.07645	1.6
213.05638	1.3
239.03516	3.1
240.04225	1.9
241.05101	1.5
252.04317	5.3
253.05060	1.9
255.06659	3.5
255.96404	1.0
256.07535	1.3
267.06616	2.6
289.08743	1.3
300.07916	1.5
315.10107	1.1
317.08185	1.1
330.09256	1.1
333.07785	3.5
347.09644	1.3
361.07285	1.7
373.19199	1.1
375.08765	1.3
376.09534	3.7
377.10367	1.3
390.11197	2.2
391.12491	4.5
406.11630	1.5
421.14380	1.2
424.12976	1.6
435.12048	1.0
436.13187	2.2
439.15582	14.1
440.15726	2.0
449.14090	1.7
450.14716	1.5
451.15561	4.2
463.15381	1.8
465.17169	1.9
467.15125	9.1
468.15353	1.5
481.16629	2.7
482.17310	23.1
483.17441	2.6
497.19745	100.0
498.20248	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17814	0.5
61.98827	1.2
69.96287	2.6
73.32798	0.5
84.20338	0.5
96.91068	0.5
110.74734	0.5
171.98347	2.0
300.92636	0.5
305.07922	0.7
315.06552	1.9
316.07501	4.6
317.08200	1.1
330.08969	0.7
331.09854	1.3
332.06891	1.6
333.07669	4.0
345.90155	0.5
347.09283	0.8
348.06213	1.1
358.08646	0.8
359.09164	1.2
361.07144	0.6
373.10931	1.9
376.09445	0.9
379.13361	0.9
405.11465	1.8
406.11893	2.2
407.12894	11.7
408.13379	1.1
423.12497	1.8
424.13016	1.3
434.11560	0.7
435.12204	0.8
436.13107	0.7
439.15472	36.1
440.15872	3.7
448.12445	0.6
449.13895	4.7
450.14682	5.7
451.15442	2.2
463.15576	4.5
464.16086	0.6
465.17093	9.5
466.17505	0.9
467.14990	12.8
467.21530	0.7
468.15573	1.4
481.16656	0.9
482.11819	0.5
482.17352	38.5
483.17783	5.0
497.19751	100.0
498.20047	13.8
498.26746	0.9
516.06055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	21.8
59.01389	52.5
61.44323	21.0
61.98825	42.5
71.01382	43.6
73.02975	37.4
77.89166	19.7
89.02480	25.6
101.02454	66.2
113.02441	36.2
161.04605	33.9
182.76944	22.4
207.69183	19.2
232.75710	22.9
291.33035	21.3
433.19873	24.2
437.23831	32.6
461.24094	100.0
497.21417	44.0
497.27802	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2755
Annotation	Simplexin I
Peak:m/z	Relative Intensity
58.00596	0.9
59.01379	43.1
60.20158	0.8
61.98822	1.9
65.38285	0.9
69.30939	7.2
70.12695	0.8
70.93004	0.7
71.01379	24.8
71.01773	1.3
72.99313	0.9
73.02944	22.2
83.01392	6.5
85.02939	5.1
87.00887	3.2
89.02460	5.8
95.01362	0.9
97.02930	1.3
99.00880	1.8
101.02444	18.8
107.73830	0.8
113.02437	5.1
113.09768	0.8
114.27268	0.8
119.03503	1.1
131.03456	1.1
161.04471	0.9
195.13812	0.8
195.24164	0.7
205.15956	0.9
211.13347	3.4
223.13365	1.6
275.20206	10.0
277.21854	1.1
293.21240	28.0
294.21558	1.6
304.36072	0.7
437.25406	6.8
455.26514	17.0
456.26645	1.3
465.52063	0.8
497.27560	100.0
498.27930	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	497.2757
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
55.01871	1.7
57.03431	2.2
58.00600	0.9
59.01381	17.7
61.98535	0.8
61.98833	11.2
68.99794	1.5
69.18983	6.7
71.01382	20.1
72.99324	0.7
73.02945	6.6
83.01403	3.3
83.05006	2.1
85.02953	10.3
86.00043	0.7
87.00870	1.2
87.87850	0.6
89.02446	5.9
90.09373	0.7
95.01378	2.5
98.20598	1.1
99.00906	4.9
101.02449	11.5
108.16395	0.7
108.70761	0.7
113.02435	6.9
114.35026	0.5
119.03503	2.4
119.08673	4.1
125.02432	0.8
129.01935	1.1
137.09721	6.8
153.09135	1.3
161.04524	1.6
167.26898	0.6
181.08731	1.9
219.11842	0.6
312.91806	0.6
319.22754	6.2
335.22263	1.6
343.50876	0.8
479.26575	0.7
497.27567	100.0
498.27957	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	497.2758
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
53.51062	0.9
55.01868	1.9
56.22280	0.8
57.03437	2.3
58.00621	1.1
59.01101	1.3
59.01381	20.6
60.91541	0.8
61.98820	3.1
71.01385	21.2
71.55106	1.1
73.02946	17.9
83.01379	4.5
85.02960	8.7
85.28262	0.9
89.02463	5.0
93.95187	0.8
95.01402	1.7
99.00890	2.9
101.02449	10.3
113.02454	6.0
113.60582	0.7
119.03515	1.8
123.48664	0.9
137.09724	2.7
140.75446	0.8
153.12869	1.8
161.04567	1.6
186.57870	0.9
246.54008	0.9
275.20221	1.9
275.23453	1.1
276.18274	1.0
319.22736	3.9
320.23224	0.8
335.22491	1.6
455.26538	1.6
497.27567	100.0
498.27997	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	497.2756
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
53.92393	0.5
55.01872	1.1
57.03434	1.8
58.00589	2.2
59.01380	41.8
61.98834	3.9
66.66102	0.3
69.03455	0.7
71.01382	24.3
71.08366	0.3
72.01677	0.6
72.99313	2.5
73.02950	1.9
83.01389	1.9
85.02952	6.7
87.00848	1.0
89.02444	17.6
94.66706	0.4
95.01385	2.0
98.20630	1.1
99.00883	0.4
99.04522	3.6
101.02444	14.0
113.02451	8.1
118.93503	0.4
119.03514	7.8
125.02458	0.5
131.03482	0.5
137.02315	0.4
137.09785	0.5
149.04468	0.5
153.05545	1.1
203.18065	1.2
213.07564	0.5
229.12526	0.6
229.52745	0.4
247.17035	1.5
317.21231	9.0
318.21484	1.4
319.22528	0.5
335.21939	0.7
497.27554	100.0
498.27921	12.2
498.35172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91061	24.4
61.58483	26.6
70.62810	75.3
96.95997	44.9
175.07652	62.5
251.97360	26.0
443.35077	50.0
461.36438	100.0
499.23334	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	498.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11561	0.3
58.15561	0.3
59.01364	0.4
60.14438	0.3
61.98832	100.0
63.71274	0.3
65.50728	0.3
69.66406	1.8
77.93588	0.4
92.62477	0.3
98.20623	0.5
108.61733	0.3
115.94949	0.3
187.47438	0.3
211.55347	0.3
276.41196	0.4
357.99652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51061	0.4
53.96652	0.3
61.98832	100.0
62.88309	0.3
71.01391	0.5
71.09946	1.0
104.61874	0.4
110.74129	0.3
122.47707	0.3
122.48708	0.4
131.41251	0.3
148.07167	0.4
191.05678	0.3
214.49855	0.4
337.55106	0.4
469.62216	0.4
494.16144	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.1
60.63058	2.3
61.10782	3.1
61.53182	2.7
61.98830	100.0
63.03782	2.4
69.32348	2.4
71.01382	10.5
72.99338	2.4
85.02950	3.6
85.95552	3.4
89.02446	4.6
97.06589	2.6
98.28715	2.7
101.02440	4.1
113.02434	3.4
119.03509	2.6
125.02461	7.0
167.03529	7.1
175.02554	2.8
209.04501	3.5
230.06813	3.3
315.08722	18.4
345.09875	5.1
393.92572	2.6
395.18903	3.0
396.19513	3.9
420.15259	3.8
438.20596	4.4
470.54718	3.7
523.71466	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	498.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25387	1.4
59.01102	2.9
59.01378	38.2
61.98831	100.0
62.78594	1.5
63.99267	2.7
69.55627	2.9
69.56017	10.3
71.01374	8.1
73.02935	4.4
83.01396	2.3
85.02946	2.8
86.11543	1.6
89.02456	5.7
101.02425	7.3
113.02442	3.5
119.03464	3.2
134.03731	2.8
161.04604	2.3
170.04224	1.5
178.82707	1.6
187.13412	3.0
193.05116	3.2
238.39687	1.7
283.57169	1.7
331.17474	5.6
349.00470	1.8
349.18655	11.1
391.19577	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	498.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14143	0.7
59.01378	24.9
61.98830	100.0
69.28700	1.7
69.29123	5.2
71.01389	7.0
73.02934	4.2
83.01405	1.2
83.17244	0.9
84.74345	0.9
85.02966	2.2
87.00915	1.1
89.02425	4.9
97.43398	0.7
98.19907	1.4
101.02444	6.3
113.02439	4.6
114.45200	0.8
119.03555	2.1
119.05077	1.1
123.04528	1.0
125.02467	1.0
143.03503	0.7
161.04584	2.3
167.03439	4.3
171.97574	0.7
179.03600	0.7
179.05635	0.7
187.13474	1.1
234.83554	0.8
273.07675	4.9
331.17566	4.7
349.18613	9.9
350.19116	1.1
363.69016	0.8
391.19714	5.5
392.19897	0.8
435.13022	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
61.98832	100.0
65.28999	0.3
68.05437	0.3
69.44089	0.7
69.44498	1.6
71.01396	0.5
75.66935	0.3
80.91681	0.7
89.83469	0.3
101.02485	0.3
122.05699	0.3
144.45753	0.3
145.55673	0.3
149.06084	0.7
168.62148	0.3
175.02408	0.5
209.74432	0.3
373.27982	0.3
382.16791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91623	6.6
59.01345	7.1
61.98823	13.8
64.72350	5.1
70.30414	5.9
71.01368	13.8
71.05127	8.9
78.95844	7.8
85.02946	27.1
87.00883	35.7
87.29986	5.6
90.59089	6.6
105.82536	5.8
115.00346	31.5
129.02011	5.7
142.54651	5.9
143.83359	5.8
146.32848	6.9
157.01433	32.4
175.02492	12.6
236.44565	6.4
255.22939	7.8
271.58490	5.6
277.21680	53.8
278.21982	9.5
301.44275	6.3
308.18787	5.4
435.23807	100.0
436.24252	6.4
517.15308	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	498.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
67.72659	1.4
71.46128	3.1
87.24030	1.7
93.68495	1.7
103.20695	1.8
105.10777	1.7
118.08504	1.5
283.96024	1.6
300.01282	1.5
356.25610	1.8
363.41583	1.9
381.47400	1.9
486.65131	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1457
Annotation	kn-93
Peak:m/z	Relative Intensity
57.03452	1.5
59.01367	2.3
60.99310	4.4
61.98831	8.9
63.07211	0.6
67.01891	10.8
69.03455	3.1
69.75464	4.1
71.01370	3.3
73.02933	0.9
81.03452	1.7
83.05032	1.5
84.47301	0.8
85.02950	3.6
87.00333	0.8
87.00879	14.0
93.03458	68.3
94.03780	1.7
99.00858	1.3
99.04501	0.8
111.04519	9.9
113.02487	1.0
115.03941	0.6
119.05029	28.6
120.05384	0.8
129.01953	1.9
145.02971	1.9
148.77480	0.7
155.03487	2.0
163.04010	21.4
164.04414	1.1
173.03096	1.4
173.04535	20.8
191.05612	78.9
192.05956	2.3
303.90192	0.6
337.09293	14.9
338.09579	0.9
379.10168	2.6
397.74738	0.8
499.14575	100.0
500.14932	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	499.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
55.74980	0.3
57.03436	0.6
58.00594	0.4
59.01380	19.5
61.98824	1.2
69.03458	0.5
71.01380	11.1
71.55937	0.4
72.99300	0.6
73.02955	4.0
76.72421	0.3
81.03473	0.3
81.83527	0.3
83.01371	1.7
85.02950	5.4
87.00871	1.7
87.04520	0.5
87.96463	0.3
89.02432	2.6
93.03513	0.3
95.01389	1.2
97.02981	0.5
99.00892	1.4
101.02443	7.1
103.04021	0.7
113.02451	6.1
115.04008	0.9
119.03503	1.3
125.02457	1.8
127.04018	0.4
131.03508	1.2
143.03481	1.9
145.05101	0.3
149.09718	100.0
149.99640	0.3
150.10049	4.3
151.03967	0.5
159.03003	0.7
161.04541	8.9
163.06111	1.1
203.05710	0.5
205.07161	1.5
245.11705	0.4
311.15057	1.8
353.16086	0.9
457.20798	24.4
458.21329	2.5
499.22357	3.6
499.29025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52953	0.5
54.39028	0.5
55.53320	0.5
59.01384	5.9
61.98829	2.0
68.02458	0.5
68.99820	35.2
69.26263	1.2
69.26672	3.8
70.28793	0.5
71.01384	8.0
73.02949	9.5
83.01379	0.8
85.02964	4.1
87.00859	1.1
89.02446	3.4
90.62657	0.6
95.01392	1.0
99.00883	100.0
100.01225	1.6
101.02445	4.6
113.02443	4.3
115.00368	1.2
117.01919	0.7
119.03512	2.4
138.53122	0.6
143.03493	0.8
161.04562	4.7
167.38855	0.6
179.05617	0.6
286.44559	0.6
286.75470	0.6
341.19617	0.7
399.24051	1.9
413.82101	0.6
431.89566	0.7
467.22858	0.6
499.18338	1.0
499.25211	1.3
499.32513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83230	0.3
59.01381	6.3
62.76435	0.3
64.36517	0.3
71.01384	4.4
71.55241	0.4
71.55614	0.4
73.02941	1.2
83.01382	0.4
83.05025	0.5
85.02952	1.2
87.00873	0.9
89.02438	3.5
91.04010	0.3
92.75656	0.4
96.00930	0.7
101.02442	4.3
102.57703	0.3
105.57635	0.3
113.02450	2.0
119.03493	0.8
127.07662	0.4
143.03453	0.5
161.04573	1.6
161.52168	0.3
171.10252	0.3
179.05632	0.5
195.18921	0.3
219.21263	0.7
235.08348	1.1
245.19159	0.6
253.09282	14.2
254.09657	0.6
263.20145	100.0
264.20493	8.1
271.22766	1.2
288.05765	0.4
373.75281	0.3
417.30023	0.4
499.31305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
59.86512	0.6
62.50732	0.6
70.04115	1.2
70.04527	1.7
71.01381	4.3
80.16873	0.6
82.76463	0.6
85.02959	2.0
89.02449	1.9
90.13342	0.6
95.01392	1.0
98.20654	0.6
101.02445	3.6
104.47970	0.5
106.70495	0.6
113.02455	4.7
119.03482	0.9
143.03473	0.9
152.99646	0.8
161.04573	1.6
221.06689	0.6
225.22247	2.7
271.22772	7.0
277.21713	91.1
278.22000	5.4
290.11353	0.7
291.23239	2.4
319.22723	1.5
352.42630	0.6
352.58374	0.6
499.30576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33761	1.1
59.01380	100.0
65.48742	1.2
71.56547	1.7
78.95901	3.3
98.20670	1.1
152.99548	3.5
153.62892	1.3
170.33405	1.2
223.43030	1.3
225.22200	11.0
227.03162	1.3
227.80559	1.2
271.22766	22.9
347.25925	1.3
365.27023	10.8
499.26889	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	500.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.4
59.36170	0.2
61.98830	100.0
62.98544	0.3
69.51582	0.9
69.52003	0.5
71.01392	0.4
101.02464	0.3
102.39594	0.2
111.89409	0.2
113.02496	0.2
129.81593	0.2
133.99257	0.2
150.44737	0.2
172.50943	0.2
199.90297	0.2
202.90643	0.2
326.65854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85472	0.9
56.17097	0.8
56.43165	0.8
57.90509	0.9
58.15137	1.0
58.36070	0.8
59.01381	9.8
61.79268	0.8
61.98828	100.0
69.51660	3.8
69.52079	1.7
70.61506	0.9
71.01381	6.3
85.02978	1.2
89.02444	5.9
98.55183	0.8
101.02452	2.7
104.87070	0.8
108.60143	0.9
113.02431	2.0
119.03486	2.2
157.13496	0.9
157.75940	0.9
179.05605	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	31.4
71.56747	20.2
78.95918	15.5
81.64605	11.9
85.02964	18.8
87.00872	27.6
106.42464	12.0
115.00351	19.7
126.00816	11.5
129.24448	11.5
135.37270	12.1
157.01393	36.6
175.02414	19.4
193.12943	12.2
207.14243	13.0
224.82991	12.3
279.23251	49.7
291.26807	13.4
317.02374	12.3
437.25446	100.0
438.25992	13.5
457.95822	13.9
506.07880	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	501.0264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75265	0.5
59.01379	77.6
61.98838	0.8
69.22575	1.1
69.22978	3.4
90.97140	0.9
118.96696	0.5
127.04182	0.6
132.98216	1.9
157.03534	3.8
159.01527	0.7
174.99254	20.4
201.02548	32.0
202.02713	2.0
217.00293	100.0
218.00587	2.4
292.96225	0.8
301.00565	0.5
343.03723	3.0
359.01462	62.5
360.01740	5.9
406.67661	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07977	1.8
57.03446	6.8
58.02969	13.5
59.01383	10.5
59.68665	2.3
61.98841	12.3
70.02974	4.6
71.01392	7.1
71.55840	1.8
71.56213	2.6
81.93578	2.0
83.01402	1.9
91.05550	6.3
92.57301	1.9
99.04529	2.3
101.02441	5.1
109.02987	4.7
113.02441	4.7
119.05026	8.1
124.54583	2.3
125.02399	3.6
134.03749	2.6
135.04517	3.0
147.04524	23.5
151.04007	7.4
160.01631	9.7
161.04517	2.6
162.03210	17.5
163.03897	2.7
164.07150	69.3
165.05565	2.3
165.07559	2.1
175.02600	3.4
175.03984	16.3
177.05556	6.2
179.03427	4.2
180.04272	40.6
195.06612	82.5
196.06952	2.7
206.08212	100.0
207.08571	6.1
217.05023	2.7
267.47177	2.3
313.07123	3.3
336.10904	1.9
357.11902	17.7
399.12933	6.9
509.95895	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	501.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40432	4.1
59.01104	6.2
59.01379	100.0
61.98828	20.3
63.09890	4.1
64.06061	3.7
68.98090	4.4
71.01384	48.3
72.99278	4.5
73.02940	14.6
74.80045	4.2
83.01389	4.5
85.02943	30.5
89.02449	18.1
89.34007	4.0
95.01385	5.5
98.20645	9.4
99.00875	5.6
101.02435	31.9
113.02430	18.8
117.07095	5.0
119.03484	4.7
125.02416	4.6
133.05106	13.9
143.03523	8.0
161.04530	12.6
161.06023	6.3
193.05098	8.2
203.31749	4.2
230.29112	3.9
247.13486	5.2
269.10345	37.4
274.30896	4.3
415.16116	67.1
416.16263	4.8
457.17105	15.6
509.07413	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	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
58.00606	0.5
59.01379	15.5
61.98824	2.8
69.03424	0.4
69.24317	0.9
69.24726	2.3
71.01388	5.1
72.99295	0.4
73.02953	1.8
73.76040	0.3
75.00891	0.5
83.01398	1.0
85.02939	2.2
87.00876	1.0
89.02449	2.4
91.01907	6.5
93.03461	7.2
99.00916	0.5
101.02428	4.5
103.04019	0.8
106.06618	0.9
107.05029	1.6
109.69957	0.3
111.00890	0.4
113.02461	3.6
115.04032	0.6
119.01394	3.2
119.03517	0.7
121.02962	8.7
125.02425	1.8
131.03525	0.8
133.02946	0.6
133.05104	0.9
136.01657	0.6
137.02452	9.7
137.03502	0.5
143.03493	1.4
145.05101	0.7
149.02454	0.7
150.05640	1.2
151.04013	100.0
152.04344	3.5
152.37122	0.3
159.03029	0.4
161.02443	0.3
161.04619	2.2
161.05830	0.5
163.04004	0.4
163.06096	0.6
168.00591	0.3
169.01389	0.3
175.04080	0.5
185.25223	0.3
193.05074	0.8
205.05211	0.6
205.07117	1.4
207.33795	0.3
234.18620	0.4
281.06720	1.1
299.07758	1.3
307.10492	0.6
323.07980	0.4
427.12555	0.9
459.15088	7.6
460.15829	0.6
463.28214	0.4
501.15817	2.8
501.25726	0.5
502.15787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24005	0.3
55.01867	0.7
57.03432	0.4
58.00598	0.4
59.01375	14.6
61.98819	1.0
62.86433	0.2
63.37853	0.2
69.03462	0.6
71.01378	12.0
71.19475	0.6
72.99309	1.0
73.02945	4.2
75.00867	0.4
76.25234	0.2
83.01376	2.5
85.02943	5.4
86.00130	0.3
87.00880	2.2
87.04518	0.8
89.02433	3.6
95.01406	0.8
97.02951	0.9
99.00864	1.3
99.04517	0.4
100.54183	0.2
101.02438	12.7
103.03996	1.3
113.02442	6.4
115.04011	1.3
117.03457	0.3
119.03503	0.7
119.05011	0.9
125.02441	1.0
127.04012	0.3
131.03488	2.2
134.03746	0.9
135.04517	10.1
136.04903	0.4
137.02466	0.3
143.03497	4.7
143.04607	0.4
145.02942	1.0
145.04973	0.3
149.06064	0.5
159.02988	0.5
161.04539	5.8
163.03996	71.4
164.04327	2.8
177.05655	0.4
178.06339	70.2
179.06740	3.1
189.47424	0.3
193.05127	2.4
193.08676	100.0
194.09001	5.0
196.26247	0.3
203.05589	0.8
205.07126	3.9
215.03419	1.9
247.09555	0.2
307.10297	1.1
352.99411	0.3
501.13303	0.5
501.19803	4.7
502.19992	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86483	0.8
53.32302	0.8
55.01872	1.7
57.03460	1.0
58.00610	1.2
59.01381	31.6
61.98826	4.0
63.85131	0.9
69.80766	3.2
69.81189	2.4
70.45425	0.8
71.01384	31.9
71.04977	1.2
72.99295	1.8
73.02940	9.2
75.00862	0.9
83.01384	6.1
85.02955	17.3
85.19861	0.8
86.00089	2.3
87.00868	1.7
89.02459	7.6
95.01376	2.8
99.00877	4.2
101.02438	21.0
113.02452	12.6
119.03489	2.3
143.03497	1.7
154.04146	1.0
159.03012	2.3
161.04539	7.9
163.06242	1.4
205.07109	1.0
225.18494	1.2
313.34720	1.0
457.31815	1.2
501.30685	100.0
502.31137	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32626	0.7
56.73943	0.7
59.01380	99.3
60.01723	1.1
65.35375	0.6
70.86330	0.8
70.86650	1.4
71.01386	4.9
73.02955	0.7
79.63151	0.6
85.02968	1.9
89.02441	1.9
101.02449	3.7
109.75056	0.8
111.47304	0.6
113.02464	5.1
119.03523	1.3
161.04562	2.1
256.17801	0.7
279.23285	100.0
280.23642	7.1
293.24820	2.7
321.24298	2.6
351.25586	1.1
389.15872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98935	0.4
69.51935	1.8
69.52345	1.1
85.50507	0.4
89.16747	0.4
98.19970	0.8
100.66882	0.4
100.76421	0.4
131.58163	0.5
147.08209	0.7
149.09718	24.7
150.09995	1.0
155.09084	0.4
163.11284	100.0
164.11607	3.9
199.88576	0.5
213.75354	0.4
217.61052	0.4
288.27112	0.4
325.21710	24.8
326.21942	2.3
337.21716	12.2
338.22034	1.2
501.33743	77.2
502.34109	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	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98830	100.0
64.81396	0.4
69.25236	3.6
71.01377	0.7
78.19106	0.5
82.64392	0.4
87.07118	0.4
89.02480	0.7
92.59873	0.5
101.02460	0.9
103.83474	0.4
113.02457	0.6
161.04625	0.4
167.69839	0.4
201.72406	0.4
253.09337	1.7
254.09694	1.2
257.66620	0.4
260.06326	0.4
265.21735	7.2
266.22073	13.0
266.24817	0.8
277.21759	1.7
335.17844	0.5
366.98294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38684	0.1
59.01378	1.2
61.98842	0.1
70.30112	0.2
70.30467	0.3
71.01382	0.2
78.95903	26.7
83.05017	0.3
96.96967	0.3
122.98528	0.3
127.07690	0.2
134.98508	0.2
152.99585	3.2
166.61456	0.1
168.04305	3.9
168.05722	0.3
173.80576	0.1
184.19505	0.1
186.21985	0.1
194.05931	0.2
205.19485	0.2
224.06920	11.8
225.07253	0.4
233.22760	0.5
236.45311	0.1
242.07991	3.1
259.20694	0.5
275.20035	0.4
277.21704	100.0
278.22046	7.1
278.25192	0.1
388.30972	0.1
428.29031	0.1
502.29385	25.1
503.29562	2.5
520.46191	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	502.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.9
61.98829	0.1
68.96417	0.1
70.68166	0.2
71.01374	0.4
78.95902	6.8
82.24662	0.1
83.05027	0.2
89.13988	0.1
113.06093	0.1
115.01991	0.1
127.07646	0.2
129.76823	0.1
141.09256	0.1
152.99574	0.8
168.04294	1.8
171.00603	0.1
175.03917	0.1
176.04417	0.1
205.19518	0.1
205.88184	0.1
224.06906	1.2
233.22685	0.3
242.07988	3.4
250.52692	0.1
259.20569	0.4
275.20068	0.3
277.21701	100.0
278.22040	6.9
278.25198	0.1
502.29391	6.2
503.29709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03890	1.6
50.07342	1.6
55.71774	1.8
59.01366	10.6
61.98828	3.5
71.01380	6.1
73.02955	3.6
74.95222	1.4
75.00847	2.4
83.75738	1.7
86.06645	1.5
87.00872	17.2
89.02456	4.8
98.20693	3.3
99.00890	3.2
99.92594	11.2
101.02459	4.9
113.02431	3.4
116.92864	100.0
117.01955	5.6
117.92857	5.7
137.02509	1.9
161.02402	4.2
179.03438	4.8
180.04338	2.0
195.06630	3.6
195.10268	3.2
200.73817	1.7
311.05603	3.4
312.06332	14.8
313.06821	2.1
330.27545	2.0
383.07666	17.3
413.08746	4.9
503.12051	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	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62233	0.4
59.01378	7.7
61.98832	5.5
62.66128	0.4
66.57126	0.5
71.01383	7.2
72.99317	0.5
73.02987	0.7
75.00919	0.5
78.95919	0.9
81.21131	0.4
83.01404	0.4
85.02950	1.7
87.00885	0.9
89.02441	4.6
96.95999	2.5
96.96986	1.5
101.02437	3.6
105.03474	0.5
107.05047	0.9
109.02891	0.5
113.02453	2.3
115.00375	0.5
117.03484	1.0
119.03476	1.3
123.04527	0.5
125.02442	0.7
132.02187	1.5
133.02957	29.2
134.03773	2.3
135.04527	37.5
136.04854	1.0
137.02451	1.2
140.93344	0.5
147.04521	0.6
149.06094	3.1
153.05534	0.7
159.04523	0.6
161.02448	100.0
162.02811	3.8
163.04094	0.5
175.02534	0.5
175.03995	0.9
177.01953	0.5
177.05540	6.3
179.03500	33.3
180.03923	1.0
195.06656	1.1
203.03462	1.3
221.04576	8.6
223.06123	0.6
229.35733	0.7
233.04532	0.5
251.05634	8.5
263.05521	0.5
281.06662	13.5
282.06961	1.0
323.04059	0.7
323.07684	9.7
324.07880	0.7
339.11819	0.7
340.12152	0.6
341.08728	9.7
341.12280	0.9
342.09119	0.8
434.14798	0.5
503.14038	65.8
504.14435	5.6
511.64349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39257	1.6
50.84056	1.5
59.01377	37.8
61.02609	1.6
61.98822	7.2
62.72483	2.1
69.52569	14.0
71.01382	33.0
71.22718	2.2
73.02959	4.4
75.00880	2.1
83.01379	2.3
85.02947	4.0
87.00877	2.8
89.02445	39.5
91.05537	2.7
95.01390	3.4
98.20679	2.2
101.02456	20.6
102.85159	1.8
107.05026	19.9
113.02441	12.7
115.05627	2.3
117.07115	2.6
119.03510	16.4
121.02980	4.2
125.02453	13.7
131.03551	2.9
135.02971	11.1
135.04565	4.0
143.03467	5.1
161.02388	5.3
161.04568	4.6
161.06085	5.6
163.04025	3.7
179.03503	100.0
179.05600	21.3
180.03886	2.5
187.04068	10.8
219.03038	4.6
219.59303	1.8
235.76004	2.2
309.08054	2.8
383.07626	13.5
385.11417	3.0
503.11868	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	503.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64300	0.4
59.01381	4.8
61.98830	3.4
64.76742	0.4
64.95679	0.4
71.01376	3.4
71.55835	0.8
75.00810	0.5
76.13149	0.5
77.86059	0.5
78.95913	2.0
85.02956	1.0
88.04075	0.6
89.02449	2.2
96.96003	2.9
96.96925	2.6
101.02445	1.7
113.02458	1.2
117.03477	1.4
119.03493	1.0
123.04497	0.8
125.02439	0.5
128.03532	0.5
132.02180	2.3
133.02956	22.0
134.03685	0.4
135.04523	46.3
136.04846	1.8
137.02444	0.5
137.32053	0.4
143.03522	0.5
147.04662	0.4
149.06081	1.8
160.01610	2.7
161.02441	100.0
162.02812	3.7
162.83922	0.5
173.69919	0.4
175.04080	1.2
177.05580	2.4
179.03494	68.8
180.03844	3.0
195.06674	0.6
203.03462	3.3
221.04536	3.6
223.06145	0.8
232.81065	0.5
251.05562	1.3
281.06677	1.2
323.07639	7.6
324.08066	0.6
341.08743	70.7
342.09067	4.8
383.10175	0.8
465.13943	0.6
503.14093	17.8
503.21033	1.2
504.14594	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	503.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25711	0.3
57.03448	0.4
58.00595	0.6
59.01380	5.0
61.98825	1.6
67.69433	0.3
70.57545	0.3
70.69815	0.7
70.70168	0.4
71.01385	5.0
72.99308	0.5
73.02950	0.5
74.02460	0.4
83.01380	0.4
85.02953	1.3
87.00853	0.4
87.13306	0.4
89.02435	3.4
96.95995	0.6
99.29153	0.3
101.02430	1.8
109.02962	0.6
111.00910	0.9
113.02458	1.3
115.00349	0.3
115.91123	0.4
119.03481	0.4
119.05012	0.4
129.01929	0.9
132.02151	0.8
133.02962	21.4
134.03549	0.3
135.03497	0.5
135.04523	10.3
136.04825	0.5
145.02946	1.3
146.03851	0.4
147.04506	0.6
149.06107	0.9
150.03247	0.4
161.02441	100.0
162.02927	3.8
163.04189	0.4
175.04048	0.7
177.05553	3.4
179.03500	21.4
180.03986	0.4
203.03462	2.6
221.04581	1.9
221.09288	1.0
233.04541	0.4
251.05536	0.9
277.60028	0.4
281.06650	1.2
297.01883	0.4
333.70697	0.4
339.10794	0.8
341.08746	45.8
342.09003	2.6
366.17502	0.3
503.13876	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.9
59.01381	13.2
61.98824	4.9
68.89575	0.5
71.01379	5.3
71.56522	0.9
72.99310	0.7
73.02938	2.1
76.44473	0.5
85.02948	2.2
87.04546	0.8
88.13770	0.6
89.02438	2.4
90.14056	0.5
91.05537	7.1
92.95938	0.5
93.03466	3.7
96.96001	2.3
96.96966	0.7
99.00866	1.1
101.02421	3.8
108.02146	1.5
113.02443	2.4
115.05536	25.7
117.03477	0.6
117.07111	14.3
118.07457	0.8
119.03468	1.2
119.05018	0.9
128.29340	0.6
131.03496	0.7
133.06580	6.5
135.04524	100.0
136.04849	3.4
143.03471	0.7
143.05049	2.1
149.09782	0.8
156.22227	0.6
161.04622	2.3
161.06073	32.2
162.06416	1.5
163.04012	7.7
187.03998	66.0
188.04381	2.1
193.08707	0.8
205.05099	5.2
223.68707	0.7
322.78116	0.6
417.25330	0.7
461.24127	1.8
483.11044	0.7
503.25043	1.4
503.32410	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	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40779	3.1
59.01383	56.1
59.67599	3.3
61.98814	10.4
71.01368	13.8
71.04827	7.5
85.02959	4.3
87.00848	9.2
89.02415	8.4
91.46981	3.5
96.95994	7.4
100.48758	3.3
101.02415	8.1
107.05040	4.7
113.02464	7.6
119.03469	3.6
123.04477	5.2
123.08137	3.2
125.02434	5.3
125.06064	5.7
128.03488	7.7
133.02989	21.9
135.04497	28.6
161.02440	86.8
161.04478	4.8
171.11775	10.6
179.03491	48.1
180.04179	9.4
181.05083	3.7
189.12860	4.2
193.05017	4.3
195.06589	8.9
221.04405	4.6
223.06087	5.8
237.14929	17.5
238.15359	4.2
248.94434	3.2
264.62497	3.4
281.10690	7.0
281.13904	100.0
282.13956	7.4
305.13953	9.7
323.07770	4.1
323.14993	8.1
341.08762	43.3
342.08945	4.5
503.13785	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	503.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
55.39809	0.6
56.15578	0.5
57.03449	2.0
58.00598	1.5
59.01382	100.0
60.71996	0.7
61.98816	0.7
67.08650	0.6
69.03480	1.3
71.01382	48.6
71.55182	1.0
72.99309	2.3
73.02946	15.8
75.00864	0.9
81.03461	0.6
83.01392	6.9
83.01836	0.7
85.02952	25.0
85.03458	1.3
86.03303	0.6
87.00886	5.1
87.04519	1.0
89.02446	8.6
95.01391	4.5
97.02975	1.8
99.00879	8.8
99.04525	0.7
101.02443	27.7
103.04038	1.9
109.02966	0.7
111.00890	0.9
112.01635	0.6
113.02456	19.0
115.04084	0.8
115.05563	2.3
119.03545	2.6
125.02425	3.2
127.04041	1.2
129.01993	1.1
131.03528	1.1
143.03532	4.3
145.05101	1.6
159.02995	4.2
161.04562	20.6
163.06134	1.5
165.01494	0.6
165.05600	1.3
187.04002	3.7
194.10893	0.9
203.05447	0.7
205.03545	0.8
205.07286	1.6
297.17245	1.7
315.18115	25.3
316.18518	1.5
357.19241	0.9
461.23917	79.7
462.24341	8.2
503.25000	12.3
503.32108	0.6
504.25772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83576	0.3
55.01875	2.6
57.03444	2.3
57.76285	0.3
58.00612	0.8
59.01379	100.0
60.01715	0.9
65.15484	0.3
69.03461	1.2
69.26466	3.1
71.01380	44.2
72.99303	1.7
73.02943	15.1
75.00877	0.8
81.03445	0.6
83.01389	5.8
85.02950	23.1
86.00115	0.6
87.00873	3.5
87.04521	0.4
89.02441	7.2
95.01391	4.3
97.02970	1.6
99.00878	7.4
101.02446	23.9
103.04031	1.3
109.02898	0.6
111.00895	0.7
112.01698	0.5
113.02452	18.0
115.04043	1.2
119.03516	2.7
124.83349	0.4
125.02448	2.3
127.04041	0.9
129.01892	0.8
131.03502	1.2
143.03526	3.7
145.05049	0.9
153.12866	0.4
159.03011	3.2
160.79745	0.3
161.04550	19.0
163.06100	1.2
170.15302	0.4
205.07143	1.3
249.14989	0.5
287.11722	0.4
297.17029	1.9
315.18094	23.9
316.18283	1.8
357.19211	1.4
443.22580	0.7
461.23911	64.1
462.24225	8.3
503.24982	10.3
504.25287	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03460	1.0
58.00598	1.7
59.01379	100.0
69.03466	2.1
69.37778	5.0
69.38189	1.8
71.01383	28.5
72.99318	2.9
73.02945	26.4
74.03265	0.8
75.00861	0.9
75.54655	0.7
81.03424	0.8
83.01394	4.8
85.02950	13.4
86.00109	2.4
87.00871	12.5
87.01365	0.9
87.04523	5.0
89.02448	20.5
95.01384	1.5
97.03020	1.1
99.00913	0.9
99.04588	1.1
100.35620	0.8
101.02443	33.5
103.04007	11.8
106.76015	0.7
113.02454	11.8
115.04013	10.0
119.03504	12.4
125.02466	1.6
127.04012	1.1
131.03499	14.4
143.03500	21.3
143.04633	1.4
145.05072	4.9
145.40508	0.7
147.90495	0.8
149.04486	1.0
159.73305	0.7
161.04565	4.2
163.06122	30.3
164.06451	1.0
179.05632	1.0
205.07162	30.9
206.07506	0.8
233.29257	0.7
247.08243	6.5
248.08888	0.8
335.12326	0.7
355.70795	0.7
372.32455	0.7
461.23816	7.9
503.25430	1.1
503.32419	1.7
504.40207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
58.00594	4.6
59.01378	100.0
61.98830	4.8
71.01381	63.3
72.01694	1.0
72.99308	6.3
73.02945	4.1
75.00865	3.2
85.02953	12.1
87.00869	3.9
89.02442	93.5
95.01388	3.7
101.02450	32.4
101.18919	1.1
108.02174	4.5
113.02449	25.1
113.03243	1.2
117.03476	3.5
119.03512	31.3
119.04867	1.1
121.02969	1.2
123.00888	2.3
123.04536	6.8
131.03464	5.6
135.04506	1.4
136.01712	2.5
138.03221	3.1
143.03488	8.5
145.02959	10.6
149.04556	3.4
151.04001	3.2
153.05556	2.0
155.19090	1.0
161.02473	1.3
161.04544	8.9
161.05803	1.7
163.04004	2.6
165.04063	1.2
179.03549	6.3
179.05611	33.6
187.46771	1.1
190.02669	1.2
195.02901	3.1
205.04936	1.8
216.99692	1.1
223.06140	2.0
233.15451	11.4
251.99625	1.0
283.06149	1.5
287.16516	1.7
297.07813	1.8
312.06445	1.2
337.07019	1.4
365.06732	2.1
383.07806	6.7
413.08762	1.8
413.21637	6.5
428.17282	1.2
462.11746	1.4
503.11020	11.6
503.18686	7.2
504.18320	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12684	2.2
59.01380	100.0
59.66976	2.3
60.98761	2.2
61.98814	6.1
71.01371	13.5
76.99429	2.2
83.01349	2.9
85.02948	6.9
89.02442	4.0
101.02440	7.7
103.83791	2.3
109.91182	2.1
113.02415	9.7
116.08224	2.2
146.21796	2.3
152.68976	2.3
161.04559	4.7
162.62656	2.3
227.03447	2.7
370.89243	2.6
399.23779	14.4
417.24866	4.6
458.36371	2.4
482.48624	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
57.03430	3.1
57.69815	0.9
58.00586	2.2
59.01380	100.0
60.01715	1.7
61.98829	4.7
62.89177	1.1
69.03451	2.8
71.01382	46.7
71.56490	1.1
72.99290	4.4
73.02948	16.9
78.35140	0.9
81.03441	2.4
83.00970	1.3
83.01397	12.8
83.05009	1.2
85.02950	24.6
87.00874	3.4
89.02441	13.2
93.21355	1.0
95.01387	4.0
97.02950	6.8
99.00871	8.9
99.04531	1.6
101.01782	1.9
101.02441	37.2
104.39889	0.9
109.02935	1.9
111.00851	3.6
113.01698	1.5
113.02448	17.1
115.03983	1.7
119.03476	2.2
119.05019	2.6
125.02456	6.0
127.04007	2.1
129.01912	1.3
133.54234	1.0
143.03510	5.0
145.05063	8.4
159.02954	3.0
161.04550	10.3
163.03989	2.2
167.61624	0.9
175.04010	1.4
247.08051	1.0
299.18613	9.6
300.18893	1.2
341.19745	7.6
343.17548	1.7
365.19797	1.1
443.22763	15.8
444.23303	2.2
461.23886	77.8
462.24377	8.0
485.33002	1.2
503.17279	1.5
503.24716	13.1
503.32281	4.7
504.25311	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	504.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.3
60.01717	1.6
61.98830	100.0
64.64558	0.5
68.56840	0.5
69.60685	1.1
69.61088	1.7
73.20901	0.5
77.68491	0.5
98.19885	1.0
132.98233	1.0
174.99255	5.7
175.99585	0.6
178.98495	0.6
201.02504	3.4
202.02625	3.0
202.99255	0.6
203.02278	3.2
204.00006	5.7
204.02806	0.5
205.92639	0.6
217.00291	24.6
218.00674	7.2
219.00534	1.8
219.97748	42.6
220.99716	1.8
281.80768	0.6
338.93851	0.6
359.01572	1.6
360.01663	7.1
361.01367	7.5
361.98581	18.7
362.02917	0.7
363.00391	1.1
503.95801	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.5
61.98829	100.0
70.21985	2.5
71.01387	3.1
73.02959	1.0
77.81596	0.7
81.26559	0.7
85.02973	1.7
89.02451	1.8
98.66228	0.6
101.02452	2.5
113.02446	1.6
122.36520	0.8
136.56822	0.7
136.57921	0.8
147.04503	0.8
163.04004	7.5
178.06360	5.8
183.08063	0.9
193.08684	12.4
226.06323	1.3
227.07140	4.8
253.07256	0.8
254.79919	0.8
263.84726	0.8
336.23880	0.8
349.38309	1.0
375.49103	0.7
389.12448	1.8
419.96503	0.7
505.13193	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	504.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01384	3.8
61.98532	0.5
61.98831	7.1
66.70718	0.3
71.01390	3.7
71.56219	0.5
72.00913	3.2
73.02938	0.8
74.16235	0.3
78.91864	0.3
83.01382	0.6
85.02936	1.7
87.00871	0.6
89.02429	0.9
89.02959	0.3
95.01383	0.6
96.00914	8.2
97.01695	2.9
99.00904	0.5
101.02459	2.0
103.05576	0.4
108.02177	1.2
108.08143	0.3
109.02971	2.0
113.02448	1.7
114.18361	0.3
117.07121	0.5
118.06664	0.7
123.00933	0.3
125.02388	0.3
133.06554	0.3
135.04482	0.4
138.68701	0.3
143.03531	0.3
144.08185	0.8
145.02943	0.3
145.06599	3.6
147.04523	13.4
148.04851	0.6
149.02405	0.4
157.54169	0.3
161.04529	2.1
164.07166	22.2
165.07486	0.6
168.00629	0.3
175.02539	0.6
188.07167	100.0
189.07513	4.3
190.05162	1.8
191.05420	0.3
206.08240	0.4
230.70331	0.3
232.06137	1.7
255.03174	0.3
256.07513	0.9
271.08020	0.5
271.10074	0.5
272.90201	0.3
300.02731	0.3
338.58286	0.4
339.07120	1.8
423.86703	0.3
504.15149	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	504.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33913	0.4
55.85085	0.3
57.03458	0.4
59.01382	2.2
61.98833	100.0
71.01394	1.0
71.56396	0.5
73.02958	0.4
82.75845	0.3
84.23160	0.3
87.75331	0.4
89.02457	0.4
99.04529	0.5
101.02444	0.6
111.60595	0.3
113.02454	0.6
145.03033	0.4
148.70045	0.3
151.50812	0.3
165.10750	0.3
174.59276	0.3
175.02538	0.4
179.03557	0.4
188.07422	0.5
300.02521	0.5
440.49747	0.4
515.99194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.3
61.98830	100.0
69.03444	1.1
70.78928	1.3
71.01385	5.7
73.05512	0.8
75.00871	2.1
78.95912	1.6
83.01414	1.5
85.02967	3.3
87.00890	2.0
89.02442	1.5
95.01412	1.5
98.20689	0.9
99.00849	3.3
101.02445	2.2
111.00933	1.1
112.98807	7.6
113.02447	4.4
152.99644	1.4
205.07245	1.0
224.94104	0.7
246.06653	0.7
249.06161	4.5
249.82205	0.7
253.09247	4.2
254.09700	1.7
255.23285	19.5
255.25873	1.3
258.47659	0.7
267.07309	1.2
267.23297	20.7
267.26001	1.1
268.23621	29.0
269.24026	0.8
277.21921	0.9
279.23297	13.3
280.23737	1.6
504.27548	1.6
505.30182	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	504.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42884	0.1
53.44944	0.1
59.01380	0.4
62.96424	0.1
71.01396	0.1
78.95903	22.3
80.23592	0.1
83.05034	0.1
96.96957	0.3
98.20689	0.2
99.28876	0.1
104.97483	0.1
113.35834	0.1
122.98524	0.2
128.00349	0.1
134.98521	0.1
145.71658	0.1
152.99580	2.6
168.04311	3.3
171.00636	0.1
190.08415	0.1
194.05838	0.2
224.06923	9.8
225.07297	0.2
242.07996	2.3
261.22171	0.5
265.65710	0.1
277.21732	1.1
279.23273	100.0
280.23618	7.5
327.08456	0.1
381.31326	0.1
415.22525	0.1
485.51733	0.1
504.30942	22.6
505.25403	0.4
505.31598	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72659	0.0
59.01376	0.5
61.98816	0.1
67.10188	0.0
71.01395	0.1
71.02666	0.1
75.88065	0.0
78.95902	6.0
83.05045	0.1
96.96954	0.1
99.00892	0.3
111.00853	0.2
128.01157	0.1
151.21872	0.0
152.99611	0.7
156.00636	0.8
168.04312	1.6
171.00621	0.1
224.06897	1.1
242.07985	2.7
243.08408	0.1
261.22256	0.4
277.21646	0.3
279.23270	100.0
280.23608	7.6
504.30942	5.8
505.25354	0.1
505.31381	0.7
530.60553	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	505.0929
Annotation	Protohypericin
Peak:m/z	Relative Intensity
59.01368	1.9
59.78924	0.8
61.98824	0.9
65.83733	0.7
68.33221	0.7
71.55026	0.9
99.20708	0.7
121.02953	1.7
151.43755	0.7
160.06001	0.7
165.05551	2.2
205.91368	0.8
220.67496	0.7
375.06647	2.6
391.05942	2.7
403.06082	2.8
418.04895	1.6
419.05515	9.9
420.05743	1.1
430.04648	1.2
431.05478	2.3
434.07953	4.1
446.04031	3.5
447.05029	13.9
448.05496	1.3
457.03802	2.1
458.04453	1.7
461.06644	1.8
462.07312	2.5
472.05994	1.7
473.06464	1.9
474.03851	11.8
475.04041	4.3
489.06140	19.1
490.06912	61.3
491.07315	6.2
505.09290	100.0
506.09576	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	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
61.76559	0.3
61.98828	4.7
64.83873	0.3
66.10400	0.3
69.42082	1.1
69.42507	1.4
71.01371	0.5
73.02893	0.4
83.01383	0.4
89.02473	0.5
101.02465	0.7
107.01420	0.8
108.02173	1.5
109.31850	0.3
109.72296	0.3
125.02425	0.3
135.00827	0.5
135.04539	0.4
148.01682	1.2
151.00391	3.2
161.02409	0.7
163.00352	0.8
164.01080	0.5
178.99860	2.0
183.04420	0.4
184.81590	0.3
187.03966	0.6
199.04010	1.2
201.01997	0.6
211.04124	0.5
215.03450	0.8
226.02686	1.3
227.03532	2.3
243.02985	9.4
244.03537	0.5
254.02254	1.2
255.02979	21.3
256.03421	1.6
271.02475	52.4
272.02896	3.7
299.01956	5.3
300.02740	100.0
301.03293	14.0
302.03683	0.5
445.07700	3.5
446.08035	0.4
463.08893	1.5
505.09866	30.3
506.10303	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89162	0.2
59.01371	0.5
61.98823	0.3
71.10090	0.5
77.03963	0.2
121.02959	100.0
122.03301	2.8
131.82376	0.2
165.05609	0.4
169.59969	0.2
175.60104	0.2
180.05821	0.6
181.06592	2.8
182.06883	0.3
197.06067	3.0
207.04463	1.3
207.08243	0.4
223.03920	0.3
225.05556	2.7
227.20067	0.4
251.06996	0.5
257.09702	0.6
269.33701	0.2
285.09213	0.3
295.05826	0.3
301.08749	0.4
313.07153	5.6
327.53186	0.3
329.08148	0.3
350.91968	0.2
357.06436	0.8
368.43295	0.2
373.11011	0.4
383.07861	1.0
417.09793	10.8
418.10168	0.9
419.05490	0.3
433.09436	0.3
453.28970	0.2
461.12616	0.4
474.03708	0.4
489.06693	0.4
490.06586	1.2
505.11304	8.5
506.11536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	14.6
60.99314	6.0
61.98833	15.0
71.01377	10.2
73.02946	5.2
81.03461	7.1
83.01390	3.8
85.02938	2.7
88.98799	42.7
89.02448	27.7
95.01353	2.5
95.05016	5.3
97.02963	6.8
98.20656	4.3
101.02452	3.4
109.03013	2.3
109.06606	2.4
111.04540	2.5
113.02440	5.3
116.92861	5.7
119.03520	6.0
121.02946	3.3
123.04524	8.0
125.02435	11.6
135.04474	2.6
135.43320	2.1
137.06085	10.0
137.92952	1.8
138.01935	5.7
139.04042	3.2
149.02498	1.8
151.07640	4.9
153.05548	4.0
161.04565	2.6
165.01886	2.3
167.03500	19.2
174.01733	4.0
177.05736	2.6
179.03474	4.7
179.07008	1.9
181.05028	13.7
193.05029	6.3
207.06567	2.5
209.04550	16.6
223.06108	27.7
225.72995	1.8
235.06142	10.3
239.05611	7.1
247.05948	2.1
249.07845	2.1
253.07224	9.5
265.07150	100.0
266.07526	5.7
269.06598	2.4
277.07208	4.7
295.08215	68.6
296.08560	3.0
307.08182	4.2
325.09241	18.3
337.09302	2.0
367.10184	6.1
385.11475	15.3
397.11359	5.3
415.12268	2.2
487.13931	2.5
488.76968	2.0
505.15887	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	505.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02747	0.7
57.03448	1.9
59.01383	11.5
60.47335	0.7
61.98824	7.0
71.01384	6.5
72.99306	100.0
73.02940	1.4
73.99641	1.0
75.00874	2.8
83.01379	1.7
83.04995	1.0
85.02959	1.1
87.00884	5.3
89.02432	4.2
96.52756	0.6
98.20669	1.2
99.00876	5.5
99.04510	1.6
101.02456	3.5
111.00914	1.7
113.02442	2.0
113.99586	7.9
115.00387	2.9
117.01958	1.1
117.03473	0.7
119.03526	0.9
119.05025	1.0
119.08733	0.8
122.03783	0.8
125.02522	1.6
128.01140	0.7
129.01852	0.9
130.99834	2.3
137.09676	4.2
145.02971	3.0
147.08147	1.0
149.06017	0.8
151.11304	0.8
156.00630	5.8
161.04518	1.5
163.07663	1.7
163.11296	1.2
165.09198	1.9
167.03560	1.2
167.10710	0.9
174.01683	37.2
175.02365	2.5
179.10782	2.8
188.07118	1.1
218.04382	0.9
221.06660	2.5
223.09802	3.0
225.11375	1.4
247.35658	0.7
261.87473	0.7
280.28113	0.6
281.92230	0.7
387.16556	11.5
427.15842	1.5
445.16879	1.3
505.19077	3.6
506.19980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01375	4.6
61.98830	15.0
61.99157	0.8
69.84866	0.5
71.01383	4.8
71.56427	0.5
71.72682	0.4
73.02942	0.8
75.30090	0.4
83.01389	0.8
85.02943	1.6
87.00855	0.7
88.98793	0.5
89.02436	1.9
91.05534	2.1
91.40868	0.4
93.03456	30.6
94.03823	0.5
95.01387	1.3
99.00883	0.6
101.02446	3.0
108.02189	0.7
111.00891	0.5
113.02422	1.3
115.00355	0.7
115.05532	5.5
117.07101	5.7
119.03635	0.4
119.05022	7.6
119.05810	0.7
121.02866	0.4
133.06598	3.1
135.04462	0.6
136.01636	0.9
137.02443	100.0
137.06047	7.4
138.02803	2.8
151.00354	0.5
153.09184	0.6
153.18066	0.4
161.04619	1.3
161.06056	13.1
161.09645	0.5
162.06354	0.6
163.03992	1.7
175.02461	1.3
179.03493	0.7
187.03998	14.7
188.04346	0.5
205.05119	2.4
205.12506	0.5
223.13388	0.5
257.86597	0.5
271.06082	1.0
281.06403	0.5
285.04037	1.1
286.08432	0.9
300.02707	0.7
301.03433	1.2
301.10849	1.4
343.04288	0.5
505.20737	29.3
506.21280	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	505.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
64.80943	1.1
67.84513	1.0
69.35002	7.4
71.01396	4.0
72.99303	1.3
78.95904	12.1
87.00876	12.5
97.91837	0.8
111.00884	1.9
112.98811	100.0
113.99154	1.7
152.99573	4.1
154.99983	1.1
168.04260	1.3
178.46996	0.9
224.06949	4.8
227.03281	1.9
277.21710	15.1
278.22025	1.7
279.23300	7.3
279.25864	1.3
280.23563	2.3
281.24844	49.6
289.21777	5.9
303.69287	1.1
308.26877	1.2
361.23718	5.0
389.23297	1.7
405.23004	1.2
433.23111	1.2
445.23547	1.5
447.25516	1.5
506.32639	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	505.2572
Annotation	Amoritin
Peak:m/z	Relative Intensity
59.01368	2.4
61.98833	0.7
66.08083	0.6
68.60839	0.6
69.24620	2.1
69.25037	3.4
78.95907	25.5
89.48001	0.6
96.96967	2.3
118.34810	0.5
150.98026	0.7
152.99591	41.4
171.00621	2.3
227.03299	5.4
245.04297	1.1
277.21707	100.0
278.22076	7.8
279.23227	1.4
280.23499	1.3
389.26782	0.6
413.20752	1.5
445.23514	0.7
505.25717	61.2
506.26038	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	505.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
57.03439	3.7
59.01365	7.3
61.98812	4.2
69.79400	9.9
71.01392	14.0
72.99301	4.2
74.00129	1.7
75.00871	28.8
78.34338	1.7
78.95892	10.1
83.01380	6.1
84.93463	2.0
85.02960	18.5
87.00877	6.5
91.04010	3.7
95.01379	9.0
99.00883	22.4
103.00344	2.3
110.98530	3.7
111.00888	15.6
112.98820	19.7
113.02441	25.1
139.00323	5.4
145.60469	1.8
152.99554	9.1
157.01459	4.4
185.02223	2.6
187.06084	1.9
205.07184	4.8
227.03207	4.6
229.16914	2.1
231.05095	4.2
249.06093	11.1
255.23306	100.0
256.23538	5.6
267.02505	2.1
267.07144	12.3
269.24881	2.7
277.21655	3.6
279.23257	40.7
280.23682	2.7
337.19107	2.2
360.74435	2.5
399.89481	2.1
417.81973	2.0
447.25421	10.7
505.22128	4.4
505.30173	67.5
506.30508	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	505.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.03436	3.5
58.43154	0.7
59.01382	9.7
61.98812	1.0
68.99813	2.0
69.03458	4.3
70.30287	2.7
71.01381	20.1
72.99300	3.0
73.02946	1.0
75.00870	13.4
78.95894	1.8
83.01394	5.1
85.02949	20.9
87.00878	7.3
89.02440	3.6
91.04016	1.5
95.01389	7.1
99.00878	17.3
103.00377	0.8
111.00846	3.8
112.01641	0.9
112.98822	2.9
113.02451	28.6
115.14974	0.8
125.02367	0.9
128.57791	0.8
129.01936	1.0
131.03487	3.5
139.00415	1.1
149.41182	0.8
152.99548	2.1
157.01402	2.9
164.52370	0.8
187.06021	1.1
205.07132	2.8
223.08212	1.4
227.03253	1.1
231.83318	0.9
249.06148	28.7
250.06390	0.9
255.23289	100.0
256.23593	7.8
267.02734	1.2
267.07159	6.6
279.23285	9.3
447.24933	2.2
505.30185	89.4
506.30518	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	505.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
57.03436	3.5
58.43154	0.7
59.01382	9.7
61.98812	1.0
68.99813	2.0
69.03458	4.3
70.30287	2.7
71.01381	20.1
72.99300	3.0
73.02946	1.0
75.00870	13.4
78.95894	1.8
83.01394	5.1
85.02949	20.9
87.00878	7.3
89.02440	3.6
91.04016	1.5
95.01389	7.1
99.00878	17.3
103.00377	0.8
111.00846	3.8
112.01641	0.9
112.98822	2.9
113.02451	28.6
115.14974	0.8
125.02367	0.9
128.57791	0.8
129.01936	1.0
131.03487	3.5
139.00415	1.1
149.41182	0.8
152.99548	2.1
157.01402	2.9
164.52370	0.8
187.06021	1.1
205.07132	2.8
223.08212	1.4
227.03253	1.1
231.83318	0.9
249.06148	28.7
250.06390	0.9
255.23289	100.0
256.23593	7.8
267.02734	1.2
267.07159	6.6
279.23285	9.3
447.24933	2.2
505.30185	89.4
506.30518	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	505.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
57.03444	4.2
58.00609	1.5
59.01381	48.7
61.06071	1.0
61.98838	1.5
65.04608	0.9
70.70508	2.1
71.01381	61.4
71.05013	2.5
72.99306	3.8
73.02944	20.5
75.00871	1.5
83.01394	10.4
83.05021	11.6
85.02955	30.3
87.00876	3.7
89.02449	16.3
95.01381	5.4
95.05112	1.1
97.02953	2.3
97.06602	2.8
99.00887	6.4
101.02442	52.2
101.06078	4.1
102.02797	1.4
111.00870	2.7
113.02450	25.1
119.03528	5.5
119.05019	2.3
123.39267	1.2
129.01956	2.1
131.03447	1.1
137.09686	1.2
139.17639	1.1
143.03487	2.9
159.03032	5.8
161.04558	12.7
165.05551	1.5
165.39581	0.9
171.23772	1.0
179.05586	1.8
265.25433	1.8
313.27621	1.4
325.27731	1.8
343.28503	38.3
344.28897	3.1
369.33853	1.0
475.33316	1.3
505.33862	100.0
506.34216	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	506.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98830	100.0
71.01392	0.5
71.55753	0.3
71.56218	0.4
80.45260	0.3
83.01401	0.3
85.02964	0.3
88.98810	1.1
89.02431	0.4
92.93578	0.3
96.96015	0.7
99.00924	0.3
135.04536	0.3
147.04570	0.3
157.01456	0.9
161.02501	0.4
165.01830	0.3
166.02690	0.2
181.05116	0.6
184.14790	0.3
185.41043	0.3
235.02582	0.8
285.66965	0.3
337.07773	1.1
355.06934	0.4
475.11517	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38840	0.3
54.34632	0.3
58.96978	0.3
59.01384	2.2
61.98830	100.0
66.10191	0.4
69.37740	2.9
71.01389	1.4
72.48100	0.3
75.82932	0.3
85.02950	0.5
88.98789	1.7
89.02450	0.9
93.02913	0.4
98.19905	0.7
100.24047	0.3
101.02414	0.6
108.02126	0.4
113.02467	0.4
117.03478	0.6
119.03473	0.3
119.05051	0.5
135.66382	0.4
145.02934	1.6
160.01682	0.5
161.02472	0.4
161.55637	0.3
163.04039	0.4
167.03595	0.5
169.83987	0.3
180.04242	0.3
217.92003	0.4
223.80899	0.3
257.04431	0.3
443.13779	1.1
506.14001	0.5
507.24796	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89719	0.4
54.74242	0.4
59.01379	2.7
59.38410	0.4
61.98831	100.0
63.93248	0.6
66.34276	0.4
70.77402	0.5
71.01385	1.7
85.02964	1.2
85.58006	0.5
89.02455	0.8
96.16171	0.5
98.19842	1.1
101.02448	1.6
109.02953	0.5
113.02487	0.9
113.12527	0.5
129.83730	0.5
139.67734	0.5
149.02451	0.8
151.77852	0.5
175.04080	0.7
309.07803	1.7
323.09308	0.7
324.10251	0.8
339.12305	4.9
340.12946	0.6
506.18997	1.1
507.16379	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30859	1.0
59.01379	38.3
60.99295	1.3
61.98529	1.8
61.98829	24.3
69.76598	6.1
71.01379	31.0
72.00907	14.8
72.99297	2.5
73.02963	1.4
77.87470	1.0
83.01374	1.5
85.02934	4.7
87.00864	1.8
88.98798	11.2
89.02441	42.2
92.17434	1.3
99.62666	1.1
101.02431	17.3
103.05531	1.5
105.15174	1.3
113.01722	1.2
113.02462	14.5
119.03492	14.3
123.00838	1.9
124.73009	1.2
125.02393	1.4
125.91724	1.5
127.25295	1.1
129.01917	1.4
130.08707	2.4
131.03520	2.0
131.04591	1.3
143.03456	3.1
147.04517	53.5
148.04811	2.1
149.04491	1.7
150.03194	1.6
161.04588	6.6
161.05844	1.1
164.07155	100.0
165.05542	5.6
165.07527	2.6
179.05608	27.1
195.06607	2.7
211.47839	1.1
222.49791	1.1
314.42386	1.2
329.01401	1.2
341.10849	94.4
342.11227	4.9
349.63327	1.1
357.18640	1.2
527.73157	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45502	0.4
59.01371	2.2
61.98832	100.0
64.71355	0.4
70.88544	0.8
70.88883	0.6
71.01387	1.8
72.99304	0.4
74.96086	0.4
75.00874	0.6
76.26205	0.4
82.03009	0.5
85.02967	0.5
89.02459	1.3
91.50546	0.4
92.91181	0.4
93.03442	0.4
95.44668	0.4
95.95901	0.4
96.12534	0.4
101.02456	1.1
110.02489	0.9
110.06081	0.6
110.23418	0.4
123.03275	0.6
124.04116	0.4
129.84280	0.4
138.05612	3.6
149.02396	0.6
149.03555	0.8
154.01509	0.8
164.03532	6.5
177.02011	0.6
198.04144	0.8
211.03639	1.1
226.86926	0.4
228.08292	0.4
246.09218	1.8
255.06294	0.7
341.11081	1.0
443.19046	0.5
445.14276	0.5
489.16684	1.0
506.15204	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	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69366	0.7
59.01376	3.4
61.98830	100.0
69.45274	2.9
69.45704	2.6
71.01384	1.9
75.00870	0.6
83.01476	0.6
85.02954	1.3
89.02453	2.2
98.19886	1.3
101.02454	2.1
106.22000	0.6
108.18049	0.6
113.02456	1.5
119.03526	0.7
121.02991	0.9
125.02464	0.9
128.03653	0.6
149.66808	0.7
150.05699	0.7
153.01836	0.7
161.06082	0.7
278.80795	0.8
349.43054	0.7
351.30206	0.6
405.27136	0.6
443.19177	14.5
444.19647	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	506.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.03639	46.2
91.88388	13.4
96.96024	21.5
98.20546	19.1
127.19149	13.0
149.05540	12.4
156.04472	13.0
176.98035	13.0
177.74564	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	507.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33418	1.7
57.03440	2.5
59.01379	15.6
61.98820	3.3
69.20551	16.7
71.01380	20.7
73.02935	5.6
83.01382	3.3
85.02961	10.1
89.02420	3.3
89.46439	1.4
91.05528	21.6
95.01399	2.0
98.20628	4.3
99.00908	3.4
101.02447	14.1
104.48566	1.5
104.94308	1.4
113.02437	8.0
115.05540	26.7
117.07104	44.0
119.05091	2.1
122.57353	1.6
123.00898	27.4
124.01672	18.2
125.02470	2.6
133.06610	28.7
135.04507	5.4
137.02414	2.3
138.03239	22.1
139.04016	20.8
143.05063	3.7
151.04066	2.4
159.02960	1.5
160.01494	1.7
161.04581	17.8
161.06055	100.0
162.06424	3.9
163.04010	24.8
165.05585	8.7
177.82596	1.9
181.05080	1.9
187.03993	90.6
188.04327	3.8
193.05077	1.9
205.05052	12.2
301.09262	28.3
345.29950	4.1
388.80124	1.7
465.26755	3.6
507.10498	2.5
507.36215	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	507.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46429	1.0
56.05025	1.1
59.01379	8.4
61.98830	3.7
71.01385	10.1
73.02950	2.9
81.03476	1.3
83.01403	1.5
85.02952	7.4
87.00933	1.5
88.98831	2.1
89.02460	2.1
91.01873	2.2
91.05541	2.7
93.03476	1.6
95.01396	3.8
101.02448	5.4
109.02963	1.3
111.00919	1.4
113.02479	2.6
113.16511	1.1
115.05538	3.1
117.07118	2.2
119.01378	7.0
121.02960	5.5
123.00887	43.6
124.01678	34.6
124.52966	1.1
125.02497	6.4
133.06613	2.2
134.03789	2.4
135.04546	3.5
138.03226	14.4
139.04025	16.8
147.00908	5.2
148.01691	2.4
149.02425	16.5
149.99588	3.4
150.03242	5.2
151.04059	2.5
152.01167	2.5
153.05554	1.5
160.01573	1.9
161.02390	1.1
161.04588	4.4
161.06107	8.5
163.04053	5.6
164.04800	11.5
165.05592	1.7
168.00638	8.2
169.05116	1.3
175.00363	38.0
175.03938	2.1
176.01149	12.0
177.01857	1.3
179.03630	1.1
179.07172	2.4
187.04030	9.1
190.02716	100.0
191.03488	27.1
193.01465	1.3
193.05078	1.5
194.02116	2.1
205.05051	92.5
206.05511	2.7
208.03815	2.7
209.04568	4.7
219.95705	1.1
223.06126	13.7
229.44467	1.7
246.32314	1.2
248.45547	1.3
259.09741	2.2
301.09338	2.3
331.06845	2.6
337.09424	2.7
353.08755	13.5
367.10315	30.7
367.14581	1.8
368.10861	2.5
417.11862	2.3
465.23306	1.8
487.35770	1.2
492.12900	3.3
507.15280	90.7
508.15787	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	507.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18698	7.6
57.32942	7.9
59.01381	85.0
61.98833	51.5
63.85732	6.4
71.01389	82.0
71.56567	13.9
72.99304	19.6
73.02935	23.6
79.25175	8.3
83.01392	17.5
85.02956	26.0
85.21197	7.3
88.98798	33.8
89.02436	31.2
93.03453	9.2
99.00863	8.0
101.02454	40.3
109.58092	7.5
113.02454	31.3
119.03490	9.2
125.02504	9.5
135.04512	16.2
137.02426	10.8
137.18626	7.9
139.00272	9.6
143.03493	20.2
148.05296	64.5
160.01674	23.4
161.04559	40.2
163.07614	74.5
175.03981	37.7
178.74994	8.7
212.08365	9.5
225.05630	29.1
227.42189	7.9
229.08705	15.3
241.05287	10.6
253.05013	17.7
267.06613	68.2
268.07367	61.8
283.09769	75.9
284.06815	9.6
299.09183	16.1
306.47037	8.2
330.58069	8.5
360.50574	8.4
397.22498	8.3
461.14502	22.9
471.18680	100.0
489.14066	24.6
507.15222	83.7
507.24286	60.3
508.15945	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	507.166
Annotation	3'-Hydroxymethylrocaglate
Peak:m/z	Relative Intensity
55.81653	0.4
57.04123	0.4
59.01372	2.2
61.98834	2.0
69.48256	0.5
71.01384	2.0
83.04929	0.5
85.02977	0.5
94.31850	0.4
94.63831	0.4
101.02437	1.5
102.37550	0.4
108.02140	0.5
109.02882	0.5
119.05025	4.4
121.02939	1.3
123.00871	0.4
133.02957	0.4
133.06549	0.5
135.04515	0.6
136.01678	2.9
137.02443	4.5
147.04393	0.7
149.02412	1.6
150.03194	0.5
151.04033	2.7
161.04645	0.5
161.06068	1.9
162.03181	0.6
163.04008	6.1
165.05499	0.6
175.03938	0.8
177.05592	0.9
187.03996	1.7
213.05511	0.8
214.02760	0.5
215.03607	0.5
227.03461	0.6
228.04233	1.1
229.05011	1.6
239.03542	0.5
240.04225	0.6
241.01346	0.7
241.05118	1.2
242.02197	4.1
242.04517	0.4
242.05791	0.9
243.02783	1.2
244.03731	0.7
245.04659	0.5
253.05023	1.2
254.02049	0.6
256.03809	1.7
257.04593	2.7
258.05310	0.7
259.06039	0.9
261.03937	0.5
265.05185	0.6
267.06641	1.2
268.03696	0.4
269.04568	1.8
269.07922	0.8
270.05145	0.9
271.06070	1.6
272.03235	1.6
272.07004	0.7
273.04102	0.5
273.07587	0.5
278.05804	0.7
281.08133	0.5
283.06183	0.8
284.06982	0.7
285.04083	1.2
285.07614	0.8
286.04916	0.5
287.05643	2.7
295.06079	1.5
297.07697	1.4
298.04758	0.6
299.09128	0.7
301.06989	1.0
304.05786	0.6
309.07587	0.6
313.07339	2.1
325.07288	0.6
325.10825	0.4
327.08701	1.0
343.02161	0.4
420.12082	1.1
431.11349	1.0
433.12735	0.5
434.09818	1.0
445.13370	0.7
446.13632	1.1
448.11578	0.5
449.12390	5.4
459.10788	0.6
463.14117	3.2
464.14688	1.5
465.26526	0.5
473.12387	0.6
474.13205	1.4
475.14160	3.5
477.11700	6.4
478.12122	0.5
491.13492	9.2
492.14197	6.1
493.14816	0.6
507.16571	100.0
508.16882	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	507.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.2
59.01379	34.8
59.90034	2.6
60.99301	17.1
61.98829	10.9
69.48047	20.7
71.01378	25.2
73.02951	7.2
79.17736	2.6
83.01376	3.7
85.02964	14.6
88.98809	100.0
89.02391	7.2
91.42181	2.7
98.20632	6.6
99.00881	5.6
101.02433	13.4
113.02441	10.5
114.69395	3.1
115.97784	3.1
119.03530	4.0
136.01627	6.2
151.03996	7.3
161.02367	4.2
161.04549	8.6
186.08887	3.3
195.06523	3.6
199.07695	4.8
201.53374	3.0
361.22147	16.4
421.06989	5.2
507.23969	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	507.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	21.8
60.99314	16.3
61.98832	8.0
69.22632	18.9
71.01394	12.0
73.02933	5.5
83.01405	4.0
85.02968	8.4
87.62353	1.9
87.88005	1.9
88.98808	100.0
91.05562	3.0
95.01414	2.2
96.64458	1.8
97.02967	2.5
99.00838	2.7
101.02428	9.9
108.02155	2.3
113.02463	6.8
121.02957	2.4
123.00900	13.4
124.01679	20.1
125.02443	28.5
129.01944	3.2
134.03728	3.7
137.02408	3.3
138.03259	4.0
139.04031	6.1
149.02446	4.7
149.99593	22.5
151.00352	2.1
151.54506	2.2
160.01640	4.4
161.02484	3.0
161.04585	4.4
161.06044	6.9
164.04816	2.8
165.05542	2.1
168.00639	41.1
169.01372	2.8
175.00371	6.6
175.03961	9.3
187.04001	9.1
190.02698	22.7
191.03471	4.0
193.05093	3.4
199.13377	3.7
205.05075	19.2
213.34885	2.3
223.06139	4.0
309.13873	2.1
313.05624	3.0
331.06824	7.3
337.09195	2.1
353.08624	3.8
361.18817	12.4
367.10333	8.6
400.00201	2.0
417.11859	2.6
421.07382	5.3
507.10727	58.1
507.23914	40.4
508.11121	3.6
508.24628	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93435	8.8
59.01372	41.7
59.01669	9.0
61.98829	60.3
66.80577	8.0
71.01386	67.3
71.37534	10.5
71.55517	10.7
73.02935	11.2
78.95898	13.2
83.01388	13.8
85.02945	27.8
88.98817	9.7
89.02442	23.0
90.14371	8.7
96.96001	20.3
96.96971	29.0
99.00863	10.2
101.02428	31.7
103.92012	10.1
113.02450	37.0
121.02932	13.3
123.00873	33.8
124.01660	56.5
131.06752	9.1
137.02399	11.6
138.03268	19.2
139.04027	51.5
154.05200	11.0
161.04555	34.2
165.01920	10.2
166.05072	37.3
174.01620	10.2
191.03526	10.7
205.05186	11.3
205.07066	12.3
246.09167	13.9
298.75381	9.2
301.09381	23.4
302.89035	9.9
376.77820	10.5
447.15152	100.0
507.14429	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83453	1.6
55.01877	2.2
57.03456	3.0
59.01384	30.1
61.98824	10.7
68.82487	1.6
69.77557	9.3
71.01384	45.6
72.99316	3.0
73.02940	13.5
74.02480	9.1
78.95917	4.2
83.01380	4.5
83.05008	2.0
85.02956	25.3
87.00896	3.6
89.02465	8.4
95.01379	5.0
99.00902	7.9
99.48714	1.6
101.02446	29.1
103.03992	2.9
113.02449	20.7
115.04090	1.6
119.04945	1.8
143.03490	3.6
151.16412	1.6
159.02992	4.7
161.04567	26.9
193.05034	2.0
193.96471	1.7
202.91621	1.9
211.13376	15.9
236.02165	1.8
253.09256	1.7
315.18127	25.3
316.18460	2.3
461.23886	100.0
462.24268	9.6
472.29086	2.4
508.23254	2.3
508.31061	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09973	2.5
51.22463	2.5
57.03447	3.6
59.01384	30.2
60.99312	4.9
61.95371	2.4
61.98835	100.0
70.94563	4.2
71.01381	21.3
72.99303	3.7
73.02946	5.8
74.17136	2.1
75.00879	2.5
83.01378	5.3
85.02962	11.2
87.00872	3.0
88.88458	2.1
88.98808	51.2
89.02446	64.3
90.02779	2.1
95.01394	2.2
97.02951	2.4
99.00877	2.8
101.02450	11.3
113.02415	7.4
115.34332	3.1
119.03572	2.5
123.04496	3.0
161.04597	3.6
187.03915	2.8
199.07576	5.1
249.18423	2.6
273.04755	2.9
278.98285	2.3
361.18576	6.3
361.22415	6.8
421.06943	3.3
465.23138	3.5
507.24225	46.7
508.24707	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	508.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25944	0.8
57.00325	0.7
59.01378	12.2
59.93067	0.8
61.98822	5.7
63.30593	0.7
69.53712	2.3
69.54130	3.9
71.01383	9.8
72.99311	2.3
73.01395	0.8
73.02942	1.3
81.34075	0.9
85.02946	1.6
87.00875	1.6
89.02454	8.5
95.01347	1.1
96.96029	1.3
98.19891	1.7
101.02422	3.0
106.12212	1.0
107.81563	0.8
110.02461	1.3
112.04056	11.9
113.02429	4.4
117.10413	0.8
119.03504	1.7
122.06098	1.7
124.04037	7.8
135.04507	1.1
140.07141	3.4
149.68785	1.0
152.26515	0.9
161.04517	1.2
166.05087	100.0
167.05409	3.3
179.05595	3.3
184.04634	1.3
184.06154	16.2
193.19124	0.8
226.07051	1.5
256.08170	1.1
270.31519	0.8
286.09305	1.1
319.92322	0.8
341.10812	16.4
342.10971	1.3
346.11365	1.5
406.58481	0.9
508.16748	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	508.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77444	0.3
55.73596	0.3
59.01385	0.9
61.98830	100.0
71.01368	0.6
71.55904	0.5
72.99322	0.6
89.02454	0.6
91.12069	0.3
94.69416	0.3
100.82111	0.3
101.02467	0.7
109.02985	0.3
113.02456	0.4
121.02957	0.4
123.04553	0.4
148.23047	0.3
149.02458	0.4
173.03917	0.3
173.30925	0.3
175.02545	0.5
176.42296	0.3
195.06458	0.3
301.06989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.16
Annotation	Unknow
Peak:m/z	Relative Intensity
82.59978	0.6
105.66370	0.6
112.07586	0.5
120.39896	0.5
146.05246	0.5
178.26308	0.6
184.97704	0.5
195.04370	1.0
196.05258	1.8
211.03992	5.9
213.05583	0.7
223.03984	0.8
224.04755	4.8
225.05461	2.0
225.84949	0.5
229.16136	0.5
238.02176	0.5
238.06334	1.1
239.03545	4.3
239.07153	6.3
240.04257	4.2
240.06465	0.5
240.07256	0.4
241.05118	0.9
252.04329	2.7
253.04968	1.0
254.05815	2.0
255.06544	0.9
256.07288	0.6
263.76920	0.6
269.08112	0.7
335.09381	0.5
391.09677	5.0
392.10422	0.7
401.08243	1.7
402.08871	1.7
403.09790	5.7
404.10379	2.3
404.15414	0.6
405.11444	1.0
406.08337	0.6
417.07391	1.3
418.08026	1.1
419.09235	12.8
420.09930	2.9
421.10577	0.7
429.07632	0.9
431.09204	5.5
432.10043	5.9
433.10556	1.8
436.08826	0.6
444.09985	0.9
446.11801	0.9
447.08759	3.7
448.09427	11.8
449.09836	1.2
451.11893	2.6
452.12167	0.6
461.10388	1.0
462.11087	8.0
463.11816	24.2
464.12265	3.3
470.27872	0.6
475.11938	1.1
477.13345	1.8
479.11435	2.2
494.13654	10.2
495.13980	0.9
509.16037	100.0
510.16324	11.7
534.52209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.0
61.98819	1.9
70.59935	1.4
110.44225	0.5
138.43033	0.5
146.30862	0.5
224.04727	1.7
225.05640	0.6
237.05460	0.9
238.06349	0.7
239.03496	0.8
239.07124	0.6
241.05161	0.7
242.06036	0.7
255.06778	0.6
263.03513	0.7
264.04153	1.3
269.08170	0.7
278.05804	1.2
282.89371	0.5
392.10315	0.6
408.09900	1.0
417.07593	3.0
418.08395	3.6
419.09155	2.4
432.09918	1.2
433.10849	2.9
435.08746	1.9
436.09451	2.1
446.07712	0.9
447.08432	0.6
448.09430	6.6
449.09488	0.9
450.11429	0.8
451.11850	13.8
452.12131	1.2
460.09708	3.2
461.10214	6.1
462.10992	3.9
463.11969	8.4
464.09140	2.2
465.13605	0.7
475.11899	10.2
476.12411	5.2
477.13367	5.9
478.10800	1.1
479.11401	6.8
491.14807	1.9
493.13071	3.4
494.13715	20.6
495.13968	2.6
509.16049	100.0
510.16406	12.9
510.23874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78001	1.1
56.75580	1.1
59.01380	9.3
61.98811	3.1
68.72030	1.1
71.55778	1.2
125.27496	1.2
130.93039	1.2
142.36472	1.1
195.04437	2.0
211.04033	2.0
223.04129	1.4
224.04710	2.4
225.05452	1.5
237.33081	1.3
247.42604	1.3
342.49878	1.2
391.09686	1.7
392.10352	1.3
418.08347	2.1
419.09235	32.9
420.09769	3.1
436.09531	5.2
447.08636	2.6
448.09732	2.5
451.11832	15.1
461.10202	4.6
462.11075	40.6
463.11740	10.4
475.12198	2.1
477.13431	37.0
478.13730	4.4
479.11386	5.6
494.13760	10.2
509.16013	100.0
510.16379	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.3
55.23394	2.4
57.03445	16.0
58.74189	2.3
59.01379	100.0
61.98825	18.6
69.03441	3.3
71.01383	59.4
71.05033	3.1
72.99311	4.8
73.02935	9.0
75.00895	2.6
83.01402	3.9
85.02950	18.7
85.06592	5.4
87.00883	5.2
87.04517	38.2
89.02448	53.4
92.97781	2.9
95.01365	2.7
95.05022	3.0
97.06577	2.9
99.00850	5.0
99.04516	8.3
101.02447	42.4
108.02175	4.0
111.04538	2.7
111.08162	33.1
113.02451	25.7
119.03494	28.0
123.00858	3.6
123.04548	2.7
125.02456	5.1
129.09225	36.2
135.04485	2.4
137.09694	9.1
143.03537	6.0
153.09203	2.9
155.64091	2.3
161.04550	22.1
167.03554	3.3
173.11789	5.3
179.05583	16.6
181.12367	16.7
199.13403	37.3
200.13751	3.0
209.64392	2.2
241.14305	2.8
269.17618	26.4
287.15619	4.6
287.18631	62.0
288.19028	3.1
335.16943	7.7
347.17078	5.0
361.18588	17.6
365.18069	5.6
421.11288	5.8
449.23892	52.3
450.24280	6.5
509.13303	3.8
509.22168	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	509.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
65.98554	0.4
70.60661	1.4
74.57163	0.5
119.05060	0.4
163.04005	2.2
181.05063	1.4
227.76045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2884
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
50.65474	0.4
62.57579	0.4
67.54569	0.5
70.78426	0.8
78.95904	16.2
83.46204	0.4
96.96961	1.0
107.37914	0.5
152.99580	28.2
171.00714	1.1
227.03270	4.5
229.19821	0.5
245.04398	0.9
281.24838	100.0
282.25183	7.1
417.24109	1.2
509.28818	52.7
510.29178	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21462	1.2
57.03475	1.3
59.01381	9.9
61.98831	100.0
71.01369	2.9
85.02959	2.8
96.36625	1.5
99.00797	1.4
101.02473	2.1
113.02418	2.0
125.02472	1.8
151.00348	2.2
204.08015	1.7
205.08801	1.8
227.03487	25.9
255.02997	34.0
256.03552	3.6
284.03278	46.9
284.06448	2.4
285.03995	13.3
311.99399	1.4
327.05002	2.3
447.09351	72.8
448.09775	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	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24318	1.6
51.80288	1.5
55.17045	1.4
56.70873	1.6
61.98833	66.5
76.19755	1.3
81.65327	1.7
119.72503	1.3
151.00340	1.7
218.90694	1.7
227.03493	32.5
234.07568	1.6
255.00557	2.8
255.03023	42.5
255.05717	2.1
256.03607	6.3
260.07571	1.7
284.03265	55.9
285.04065	15.6
304.58163	1.7
447.09314	100.0
448.09698	9.3
511.67957	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	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09759	1.1
61.98834	7.9
69.62388	6.4
91.86476	1.4
92.90015	1.2
107.01332	1.1
109.02935	1.3
113.48658	1.1
121.02958	1.3
133.02945	11.8
147.04521	1.7
161.02443	1.3
163.00302	1.6
163.03976	1.8
165.01935	1.7
175.03960	3.9
191.03484	2.3
236.13889	1.3
284.03113	8.2
285.04041	6.3
297.03995	15.7
298.04755	8.6
299.05594	20.4
299.08783	2.3
303.49582	1.3
311.05627	3.0
325.03430	1.6
327.05075	100.0
328.05423	5.5
339.05054	3.0
357.06155	24.4
358.06396	1.8
369.06177	3.3
447.09277	72.7
448.09775	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	510.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84418	0.3
61.98832	100.0
67.03704	0.3
69.46555	2.2
79.64248	0.3
93.82284	0.3
146.54242	0.3
161.28200	0.3
197.95450	0.3
364.34216	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
58.00587	0.6
59.01099	0.9
59.01379	12.9
60.01717	0.6
61.98830	100.0
69.23772	0.6
69.24117	5.1
71.01384	6.1
72.01681	0.5
73.02953	0.5
85.02953	1.8
89.02445	5.0
91.05527	0.6
95.01398	0.6
95.62219	0.4
98.19911	0.9
101.02442	4.1
102.02753	0.5
106.05604	0.5
113.02431	2.3
115.05539	4.3
117.07137	1.3
117.90359	0.5
119.03534	1.6
121.02988	0.5
125.02476	0.7
143.03500	0.7
156.21181	0.5
161.04604	1.3
161.06090	1.7
179.05617	1.1
187.04002	5.5
205.05011	0.8
222.69225	0.5
271.45358	0.5
304.19739	0.7
323.09958	0.7
329.17743	0.8
330.18051	1.8
347.18582	3.6
348.18964	9.6
348.22900	0.7
349.19455	0.9
390.20190	1.1
510.24332	9.6
511.25827	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.7
67.76007	0.2
69.03456	0.5
71.01378	1.4
73.02941	2.0
83.01398	0.4
85.02941	0.4
87.00912	0.2
90.24213	0.2
91.05531	7.9
97.02949	0.5
101.02449	1.2
113.02446	0.3
115.05566	0.6
115.50651	0.2
116.95047	0.2
117.07108	51.0
118.07423	1.6
124.15582	0.2
125.02449	1.0
130.28448	0.2
133.06593	1.3
135.04501	0.3
155.03606	0.2
161.06081	100.0
162.06422	3.9
167.34431	0.2
177.40134	0.2
179.07117	0.3
187.04019	1.1
205.05052	47.2
206.05394	2.3
219.72633	0.2
230.05724	0.2
425.14597	1.6
511.14502	4.4
512.14764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.9
61.98827	2.2
71.01379	4.8
71.55596	1.1
73.02946	5.3
85.02949	0.7
89.91199	0.6
91.05534	5.6
98.44411	0.6
101.02449	2.5
107.58624	0.7
113.02470	0.9
115.05536	2.8
117.07111	50.0
118.07407	1.5
125.02442	1.8
127.03986	0.7
133.06613	2.4
135.04552	0.8
136.53998	0.6
148.74864	0.6
161.06081	100.0
162.06445	3.1
187.03999	4.8
205.05055	48.4
206.05429	2.3
220.72708	0.7
307.04721	0.6
373.23303	0.8
425.14514	1.2
439.62354	0.7
501.58957	0.7
511.14758	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	511.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16935	1.0
50.58933	1.1
59.01377	19.8
61.98827	3.1
71.01376	2.6
71.55848	1.1
73.00634	0.9
73.02940	0.9
78.05209	1.0
85.02934	1.6
91.05537	5.3
93.16775	1.0
106.87576	1.0
113.02446	2.5
115.05608	1.0
116.07294	1.0
117.07105	49.0
118.07445	1.7
125.02432	2.2
126.82337	1.0
132.84157	1.0
134.30807	1.1
140.11179	1.1
143.03496	2.9
161.06076	100.0
162.06403	4.6
205.05048	53.4
206.05438	2.8
210.42322	0.9
285.99979	1.1
293.21161	1.2
335.84589	1.0
473.27515	3.4
474.27313	1.1
511.14490	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	511.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70723	0.2
56.69744	0.2
58.99669	0.2
59.01381	14.7
61.98828	0.5
69.03455	0.4
71.01375	1.6
71.71870	0.2
72.13016	0.2
73.02947	1.8
81.03442	0.3
85.02959	0.6
87.00891	0.3
88.00195	0.2
91.05537	6.3
93.95114	0.3
97.02947	0.8
101.02454	0.8
113.02440	0.7
115.05527	1.4
117.07108	47.8
118.07426	1.7
125.02451	1.7
127.03967	0.3
133.06599	2.7
135.04510	0.6
143.03516	0.7
154.49216	0.3
161.06079	100.0
162.06442	3.9
163.03889	0.2
184.91978	0.3
185.04576	0.9
187.04016	3.0
205.05051	47.1
206.05392	2.4
223.06140	0.9
322.86798	0.3
425.14691	1.3
469.13202	0.3
511.14188	4.5
512.14966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27336	0.4
51.86869	0.3
59.01383	13.1
59.25465	0.4
70.56181	1.2
71.01383	1.5
73.02946	2.0
74.64243	0.4
76.80679	0.4
81.03443	0.4
82.08506	0.4
83.01344	0.4
89.10409	0.4
91.05528	9.6
97.02963	0.6
101.02422	0.8
113.02448	0.8
114.49159	0.4
115.05566	1.3
117.07108	48.9
118.07448	1.5
125.02460	1.5
133.06615	1.2
143.03491	0.4
161.06081	100.0
162.06419	4.6
187.04037	2.5
205.05052	46.4
206.05461	2.2
302.23193	0.4
324.03238	0.4
343.59555	0.4
425.14557	1.6
511.14410	5.0
512.14526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73774	0.4
59.01382	22.3
61.77656	0.4
61.98841	2.6
71.01392	2.1
71.19543	0.6
73.02957	0.5
83.01372	0.5
85.02965	1.7
86.62175	0.4
89.02400	0.4
91.05536	7.8
91.25031	0.4
95.01384	0.4
97.02946	0.4
101.02457	0.7
113.02464	1.6
114.51925	0.4
115.05531	0.5
117.07111	52.2
118.07446	1.8
125.02439	1.2
126.39440	0.4
130.66876	0.4
133.06630	1.1
135.04533	0.8
143.03523	2.3
155.03532	0.7
161.06085	100.0
162.06425	3.9
185.04521	1.0
187.03955	0.6
205.05057	52.2
206.05376	2.8
425.14539	1.3
437.07401	0.4
511.14465	4.6
511.25784	2.1
512.15314	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07294	0.4
59.01380	18.0
61.98837	1.1
69.03461	0.5
69.67744	0.4
69.80817	2.0
70.05609	0.3
71.01386	3.1
72.99310	4.1
73.02954	6.2
74.75040	0.5
80.11417	0.4
83.01387	1.1
85.02962	0.6
91.05534	7.8
93.31213	0.4
97.02921	0.5
101.02464	3.4
106.08411	0.4
113.02438	0.4
115.05560	2.2
117.07107	50.4
118.07412	2.1
123.34594	0.4
125.02455	1.6
133.06610	1.7
135.04549	0.7
138.64204	0.4
146.75615	0.4
161.06084	100.0
162.06429	3.8
187.03993	3.3
199.44867	0.4
205.05060	49.0
206.05423	2.1
295.24985	0.4
425.14767	0.5
511.14279	3.5
512.14697	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93567	0.8
59.01379	16.1
61.98827	2.8
63.82201	0.8
69.03442	0.9
71.01379	1.7
73.02951	1.8
91.05535	4.4
101.02464	1.3
111.77637	0.9
117.07108	55.1
118.07416	2.2
124.67999	1.0
126.46419	0.9
133.06578	1.6
161.06076	100.0
162.06438	4.3
205.05055	46.2
229.77075	1.1
275.20068	2.7
425.14862	1.2
511.13770	4.7
514.79651	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30930	0.8
59.01366	1.0
61.98821	1.7
69.29430	2.1
69.29848	3.8
91.43010	0.8
108.38028	0.9
197.06044	1.5
198.06863	6.6
212.04749	1.2
213.05579	2.1
224.04761	1.5
225.05508	1.9
226.06345	49.6
227.06775	3.6
239.07236	1.2
240.04326	2.1
240.07928	1.6
241.05212	5.4
241.08698	100.0
242.09048	5.9
255.06560	4.8
256.07291	1.1
270.08932	2.6
271.09717	1.4
317.71017	0.6
347.09335	0.7
371.74173	0.7
456.98239	0.7
496.15527	1.7
509.43213	0.7
511.17865	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	511.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19379	0.8
59.01362	1.4
61.92360	0.8
61.98827	1.0
71.54996	0.8
71.55446	0.9
74.71278	0.7
75.02242	0.7
143.05008	0.8
159.62872	0.7
171.32527	0.9
181.06599	1.5
183.04526	1.0
185.06036	1.1
196.05254	5.4
197.06067	3.0
211.04050	1.9
211.68622	1.0
219.95241	0.9
224.04802	13.0
225.05545	11.3
226.06276	2.7
239.07178	2.4
241.05122	1.1
255.06567	1.1
256.07550	0.9
269.08295	4.1
275.20233	4.3
284.78076	0.7
316.09436	0.9
350.32251	0.9
411.12311	1.7
421.10901	5.3
426.14310	1.3
435.12885	1.0
448.09348	2.3
449.10626	1.8
450.10904	2.1
451.11545	1.1
453.13260	3.3
462.11212	1.0
463.12057	5.8
464.12589	8.7
465.13519	5.6
477.12976	4.4
478.13968	1.7
479.15121	9.6
480.15161	1.1
481.12933	5.0
495.14395	8.7
496.15460	9.1
497.15152	0.9
511.17615	100.0
512.17963	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	511.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63297	0.4
59.01378	0.9
61.98827	1.3
70.88266	0.6
70.88602	0.7
161.06093	1.3
183.13869	0.5
199.79855	0.6
211.04083	0.7
213.05598	1.2
224.04831	2.0
225.05557	3.5
226.06241	1.0
226.59900	0.5
227.06966	0.5
239.07117	0.6
240.04248	0.8
241.05028	1.5
254.05827	0.6
255.06549	2.3
269.08206	1.3
393.11252	1.2
410.11563	0.7
419.09253	2.8
420.09851	2.4
421.10782	16.3
422.11099	2.1
437.10040	3.6
438.11124	2.1
447.08328	0.5
448.09427	2.2
449.10123	1.6
450.11121	1.0
453.13455	22.8
454.13589	3.0
462.11023	1.0
463.11902	8.5
464.12662	12.8
465.13416	8.9
466.10736	1.5
477.13690	1.5
479.08102	0.8
479.14984	15.3
480.15378	1.2
481.12897	9.6
482.12711	0.9
495.14575	2.3
496.15274	27.8
497.15546	3.8
511.17618	100.0
512.17969	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	511.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51686	1.1
57.03454	1.8
59.01370	7.8
61.98836	11.5
62.22243	1.2
69.98231	3.0
69.98646	4.1
71.01386	5.9
72.99323	1.4
73.02966	2.0
83.01394	1.5
85.02936	1.7
89.02466	2.6
99.00876	6.5
101.02458	3.3
107.05025	11.9
111.00871	2.1
112.98812	11.7
119.05109	1.3
121.02945	3.8
135.04492	3.1
139.00391	6.4
140.01154	3.1
145.01358	1.2
156.00688	2.9
163.03851	1.2
164.98242	1.5
173.00861	8.3
179.03497	100.0
180.03886	2.9
182.99345	8.0
197.00894	2.4
240.99947	1.5
247.20183	1.3
260.83249	1.2
313.49451	1.3
328.05463	3.0
337.09827	1.4
367.90927	1.3
399.65045	1.3
435.20685	1.4
448.09470	5.3
511.10922	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	511.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70845	0.9
55.01873	3.1
55.59875	0.9
57.03462	4.6
58.00600	5.0
59.01379	100.0
61.98828	7.1
66.84228	0.9
69.03468	1.8
70.06209	2.5
70.06609	1.4
71.01381	85.7
72.01721	1.4
72.99314	7.5
73.02945	28.2
75.00874	3.5
81.03445	1.2
83.01379	10.2
85.02946	37.6
86.00103	2.6
87.00880	15.7
87.04509	9.3
88.98829	1.5
89.02445	52.2
95.01396	5.4
97.02950	2.0
97.06586	5.6
99.00885	7.4
101.02445	66.7
101.42907	0.8
102.02781	1.1
103.04013	10.5
109.02977	0.8
109.06583	5.2
113.02450	37.4
114.02807	1.2
115.04017	6.5
115.07629	1.8
119.03501	24.3
119.04322	1.5
121.02934	0.9
125.02427	3.1
125.09778	1.5
127.04004	1.0
131.03499	14.6
139.04051	1.3
143.03500	16.4
145.05067	3.5
149.02515	4.7
149.04555	2.3
149.09700	4.1
150.03229	4.3
153.05518	0.9
153.28862	1.0
159.02992	3.5
159.04413	1.2
161.04553	26.2
163.06129	17.3
164.04840	0.9
164.06470	1.3
165.05583	4.0
167.10722	2.0
179.05623	8.4
185.11798	1.3
195.06613	4.1
203.12857	6.3
205.07155	21.1
221.06621	7.4
247.08307	5.2
277.12936	12.4
286.08377	1.9
301.10864	6.7
307.13950	1.1
319.08386	1.0
347.17017	8.1
349.09375	1.0
351.64294	0.9
365.18146	82.1
366.18588	7.3
367.12460	2.9
423.18701	6.7
435.18686	2.3
493.22894	19.8
494.23318	1.4
510.06812	1.0
511.23972	60.4
512.24414	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	512.299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13861	0.5
57.38721	0.5
61.98829	1.2
78.95905	17.9
89.92598	0.5
96.96936	1.9
98.19824	0.8
119.05009	1.0
145.02940	1.7
146.51187	0.5
152.99583	13.4
163.03912	0.6
182.02164	0.9
225.74405	0.5
238.04866	4.5
253.09332	1.0
255.23293	100.0
256.06000	1.1
256.23672	7.6
277.21729	5.9
494.28885	58.4
495.29297	5.7
513.28210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.125
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	0.5
59.01377	9.9
61.98824	5.4
70.61157	0.2
70.73712	0.3
71.01382	13.2
72.99309	1.4
73.02954	1.3
74.02461	0.3
78.13792	0.3
83.01360	0.6
85.02948	1.4
87.00875	25.3
89.02470	0.4
94.51679	0.3
98.20598	0.6
99.00900	0.5
101.02441	1.0
104.03658	0.3
108.02218	0.4
111.00863	0.4
112.98814	0.7
113.02457	1.0
115.00375	40.4
116.00689	0.5
123.00887	0.5
125.02484	0.4
127.00397	0.5
151.04030	0.3
174.12846	0.3
175.02478	100.0
176.02855	2.7
178.28670	0.3
287.09286	1.0
317.10327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.5
57.03450	0.5
58.00606	0.5
59.01381	28.5
61.98845	1.2
69.03461	0.6
69.84525	1.8
70.74067	0.3
71.01383	12.3
72.99333	0.7
73.02945	5.2
83.01413	1.5
85.02951	5.9
86.00108	0.5
87.00880	2.5
87.04533	1.0
89.02423	2.6
95.01360	0.4
97.02982	0.6
99.00900	1.4
99.04560	0.4
101.02452	8.3
103.04041	1.2
113.02448	6.6
115.04025	1.4
119.03504	0.9
121.02953	8.6
121.06627	0.4
125.02461	1.0
127.04031	0.4
131.03500	2.3
135.94778	0.4
143.03514	3.1
147.04529	1.3
148.05305	100.0
149.05629	3.0
159.02991	1.0
161.04564	10.6
163.07648	90.6
164.07970	3.5
205.07118	3.1
206.07423	0.4
249.59604	0.3
307.10403	0.7
325.13065	2.0
367.13940	0.5
471.18689	30.1
472.18982	3.0
513.19867	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	513.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.9
57.03458	0.5
58.00621	0.4
59.01381	26.9
61.98827	1.9
62.51469	0.3
63.44709	0.3
69.03464	0.5
69.77548	1.5
71.01383	13.0
72.99323	0.8
73.02951	5.3
77.28141	0.3
83.01382	1.6
85.02954	5.7
86.00114	0.6
87.00874	2.6
87.01302	0.3
87.04546	0.8
89.02447	3.3
95.01405	0.8
96.79510	0.3
97.02964	0.6
99.00902	1.3
99.04567	0.4
101.02447	8.6
103.04012	1.7
108.02267	0.4
113.02449	6.5
115.04039	1.1
115.28536	0.3
119.03509	0.7
121.02959	12.0
121.51140	0.2
125.02438	1.7
127.04057	0.5
131.03494	1.9
142.46275	0.3
143.03500	4.0
145.05092	0.4
147.04547	0.5
148.05309	100.0
149.05618	2.6
159.02977	1.0
161.04553	10.3
163.07646	91.1
164.07977	3.8
185.04620	0.3
203.05598	0.3
205.07172	2.9
224.02023	0.3
307.10233	0.9
325.12875	1.4
367.13965	0.6
391.15631	0.5
455.71497	0.3
471.18689	27.3
472.19052	2.1
477.23077	0.8
513.19824	2.8
513.26453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32775	5.7
59.01384	62.3
61.98835	74.2
69.03460	8.6
69.46365	34.5
69.46773	12.8
71.01394	40.8
73.02943	14.3
73.19380	5.9
82.33247	5.6
85.02943	17.9
89.02436	29.4
96.46850	6.5
99.04514	10.3
101.02431	38.5
103.03975	9.6
113.02460	32.1
124.39504	6.7
131.03493	8.2
143.03566	8.5
148.05278	14.3
161.04547	8.2
163.06058	8.0
163.07613	14.3
205.07054	9.7
221.06744	7.0
331.17542	23.6
477.23413	100.0
513.20880	25.9
513.27728	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	23.9
59.95311	6.4
61.98834	88.1
68.31933	6.2
69.26924	57.8
71.01370	28.4
73.02928	12.9
85.02949	10.5
89.02409	11.6
101.02462	19.7
113.02447	14.6
117.07118	13.4
160.51108	6.6
161.04549	13.1
161.06079	24.1
197.53127	6.6
205.05103	12.0
216.52089	5.7
331.17465	10.2
405.83572	6.4
477.23352	100.0
478.23602	13.9
513.20911	57.6
514.21271	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	513.211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32775	5.7
59.01384	62.3
61.98835	74.2
69.03460	8.6
69.46365	34.5
69.46773	12.8
71.01394	40.8
73.02943	14.3
73.19380	5.9
82.33247	5.6
85.02943	17.9
89.02436	29.4
96.46850	6.5
99.04514	10.3
101.02431	38.5
103.03975	9.6
113.02460	32.1
124.39504	6.7
131.03493	8.2
143.03566	8.5
148.05278	14.3
161.04547	8.2
163.06058	8.0
163.07613	14.3
205.07054	9.7
221.06744	7.0
331.17542	23.6
477.23413	100.0
513.20880	25.9
513.27728	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.1
60.97322	0.4
61.98829	4.4
65.39626	0.4
71.01383	1.8
72.99300	2.5
73.02941	1.2
75.00869	100.0
76.01215	0.7
85.02934	1.2
88.31140	0.5
89.02453	1.4
98.19912	1.8
101.02445	1.5
113.02438	0.8
117.07111	1.7
118.07491	0.9
127.58828	0.4
161.04842	0.6
161.06041	2.8
162.06400	1.9
179.05640	0.5
205.05020	1.1
206.05502	0.7
207.05609	0.6
221.06746	0.6
437.23956	2.0
477.23328	0.9
513.27167	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
58.00614	0.2
59.01383	6.8
71.01382	4.2
71.55834	0.2
72.99297	0.2
73.02962	1.2
79.10040	0.2
83.01395	0.6
83.05099	0.2
85.02955	0.9
87.00870	0.8
89.02448	4.1
92.66855	0.2
95.01382	0.3
99.00831	0.2
101.02451	4.2
113.02477	1.8
119.03513	0.7
125.02404	0.3
127.07597	0.3
131.03511	0.3
133.05037	0.4
135.67232	0.2
143.03485	0.5
157.05077	0.3
161.04564	1.5
179.05620	0.8
233.22736	0.5
235.08258	1.0
243.90868	0.2
253.09285	14.6
254.09808	0.3
259.20694	0.3
275.20264	0.4
277.21710	100.0
278.22043	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
58.00589	0.3
59.01382	7.5
69.32850	0.5
69.33260	1.3
71.01385	5.0
72.99317	0.3
73.02949	1.3
83.01367	0.6
85.02957	1.2
87.00880	0.4
89.02444	3.8
89.45776	0.2
95.01389	0.3
98.88132	0.2
99.00868	0.3
101.02445	5.1
103.04020	0.3
113.02448	2.7
118.65771	0.2
119.03504	0.9
119.17538	0.2
129.35115	0.2
133.05106	0.4
161.04546	1.7
179.05563	0.7
205.19775	0.2
206.40347	0.2
233.22751	0.5
235.08138	1.3
253.09270	16.0
254.09648	0.5
259.20563	0.4
275.19995	0.4
277.21710	100.0
278.22058	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	514.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43884	0.6
57.37895	0.6
59.01370	0.9
61.98831	100.0
69.07678	0.6
71.56098	0.8
71.56480	0.8
75.04159	0.7
78.95865	0.6
96.11153	0.6
98.87476	0.7
104.63286	0.6
154.99867	0.7
212.78752	0.7
277.21692	1.2
279.23340	0.7
322.31219	0.7
488.07126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
55.37899	0.2
59.01385	1.6
61.98831	100.0
68.99800	0.3
69.48104	0.6
69.48521	1.2
71.01390	1.2
78.95910	0.6
82.46790	0.2
83.01395	2.6
85.02968	0.3
87.00900	1.4
87.26864	0.2
89.02467	0.6
99.00900	0.9
101.02457	0.9
111.00900	0.3
112.98819	4.4
113.02468	0.3
142.99872	1.9
145.01440	0.5
145.03026	0.8
152.99608	0.8
154.99873	9.7
156.00139	0.4
161.04538	0.5
173.01018	0.4
192.34035	0.2
212.68767	0.3
253.09302	2.8
253.11565	0.3
277.21747	5.4
278.21994	0.5
279.23282	21.5
289.21762	0.4
291.11530	0.3
343.52197	0.3
361.23727	0.5
425.70435	0.3
433.22415	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	514.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41471	0.4
58.02982	3.0
59.01377	6.6
61.98830	2.9
62.37345	0.5
70.04906	0.5
71.01376	2.4
71.33253	0.7
73.02943	1.4
73.04062	2.7
74.02474	17.7
82.06611	0.8
83.01372	0.6
85.02962	1.1
87.05637	3.6
88.04059	0.5
89.02430	1.5
97.04073	1.6
98.02467	1.7
101.02425	2.6
101.07207	0.6
101.78480	0.5
103.04019	1.0
112.02803	1.2
112.07664	0.6
113.02473	0.7
115.04038	0.5
115.05119	3.1
116.03542	0.9
126.09248	2.2
129.10349	10.4
130.08727	2.4
139.08769	0.7
140.07158	1.2
141.10356	0.9
143.03522	0.9
143.11905	10.4
151.08760	2.6
152.07129	1.3
153.05435	2.1
153.10313	3.7
155.11899	1.7
157.13396	0.5
163.06117	3.9
165.09224	2.4
165.10414	0.7
166.08737	1.3
167.11855	1.0
168.11412	11.5
169.09782	3.5
169.11768	0.6
179.11893	1.4
182.12988	0.7
183.11356	3.5
186.12479	7.1
187.10907	3.1
187.12360	0.6
195.92940	0.5
200.14043	1.6
205.07095	1.6
210.12466	28.4
211.10883	0.8
211.12805	1.0
214.15610	15.7
215.15932	1.0
219.43968	0.5
223.10966	0.5
228.13510	14.5
247.08203	0.8
257.16138	1.0
258.14587	2.4
270.21924	0.6
284.51974	0.5
299.17200	0.6
327.23993	6.6
328.24081	0.6
349.22345	0.5
371.22992	1.4
384.26074	2.2
426.27011	1.3
470.26181	100.0
471.26541	10.6
496.27795	0.9
514.28833	14.2
515.29034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42392	0.1
55.27623	0.2
56.19433	0.2
61.88543	0.2
61.98830	100.0
69.40364	1.3
98.19939	0.4
127.31684	0.2
129.05484	0.1
413.49075	0.2
514.32336	0.4
523.02704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56053	0.8
59.01372	1.3
61.98830	100.0
70.02095	3.3
78.67324	0.8
102.53776	0.8
102.97110	0.8
106.68131	1.1
276.98148	1.0
514.31396	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.8
59.01385	55.3
69.25723	5.0
69.26126	22.0
71.01380	44.6
72.99320	5.5
75.00866	4.9
83.01408	3.2
85.02964	5.8
89.02449	52.0
99.00885	5.1
101.02438	20.3
112.98789	5.6
113.02452	18.8
119.03511	18.4
129.01939	3.6
142.99872	18.6
143.03535	4.5
147.02986	3.1
161.04498	5.4
173.00867	14.6
173.04556	11.7
175.02423	3.2
179.05641	25.0
208.86952	2.8
341.10889	100.0
342.11096	5.7
342.86606	2.6
397.72256	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	515.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
61.98834	3.6
62.01720	1.9
68.95165	1.7
69.20618	9.6
69.21044	9.5
74.71523	1.8
88.49424	2.3
88.96980	1.9
115.05514	6.6
177.98186	2.0
187.03993	6.3
223.07611	6.6
239.10747	4.7
316.07846	2.2
321.09082	8.3
321.12698	2.7
322.09882	7.7
336.11652	3.5
363.10178	4.7
364.11087	23.8
365.11731	14.7
370.12070	4.0
377.11826	3.9
379.08765	4.2
379.13406	71.2
380.13995	24.3
382.12030	4.7
393.14749	2.4
395.16541	8.5
397.14572	4.8
411.16138	4.1
412.16934	4.3
413.13828	11.8
422.11533	3.1
423.12488	4.8
428.16202	4.4
437.13943	8.6
438.14569	8.2
443.18680	4.4
453.17105	13.4
456.15402	3.5
471.18124	100.0
472.18570	10.4
497.47003	2.7
515.17151	43.0
515.30139	8.8
516.16980	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	515.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
55.73588	0.4
57.03442	2.4
57.64734	0.4
58.00580	0.7
58.35741	0.4
59.01381	29.2
61.98834	2.5
68.99817	8.4
69.03452	1.1
69.47089	0.5
69.81598	0.4
71.01382	37.2
71.56641	0.7
72.68855	0.5
72.99308	1.4
73.02946	18.2
75.00866	0.9
83.01383	6.6
85.02950	23.1
86.00091	0.9
87.00883	3.4
87.04519	0.7
87.12656	0.5
89.02441	5.7
95.01395	3.1
96.95984	0.4
97.02969	0.8
99.00879	17.4
101.02441	31.4
102.02806	0.6
103.04034	2.4
112.01645	0.6
113.02449	17.6
114.93401	0.9
115.04033	1.3
119.03532	1.8
125.02444	1.8
129.01909	0.7
131.03493	1.2
143.03474	3.3
159.02977	3.5
161.03229	1.1
161.04558	18.8
163.06102	2.2
205.03545	0.9
205.07204	1.8
251.09258	1.0
269.10291	49.4
270.10736	3.1
270.72818	0.5
350.68436	0.7
385.80212	0.6
415.16077	100.0
416.16391	8.3
473.20352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03456	0.1
58.00616	0.2
59.01380	6.6
69.03458	0.1
70.14246	0.4
70.49156	0.1
71.01384	4.5
71.32137	0.1
72.99323	0.3
73.02942	1.2
73.03275	0.1
78.95937	0.1
83.01388	0.4
85.02963	0.9
87.00877	0.6
89.02444	4.0
90.06949	0.1
91.04018	0.1
95.01390	0.4
97.02979	0.2
99.00910	0.2
101.02446	4.7
102.02757	0.1
113.02458	2.1
115.04028	0.1
119.03513	1.0
125.02485	0.1
131.03456	0.2
133.05110	0.3
143.03477	0.5
149.04591	0.1
157.05045	0.2
161.04555	1.9
179.05606	0.7
235.08243	0.7
253.09286	15.1
254.09662	0.5
261.22153	0.3
279.23276	100.0
280.23636	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	515.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
57.03468	0.2
58.00626	0.2
59.01382	5.1
61.98841	0.1
69.03502	0.1
70.57370	0.2
70.57742	0.1
71.01383	4.1
72.99329	0.3
73.02956	1.0
73.03283	0.1
75.00896	0.1
79.86703	0.1
81.03449	0.1
83.01381	0.5
83.05047	0.1
85.02953	0.9
87.00880	0.6
89.02443	3.1
91.04051	0.1
95.01417	0.3
97.02980	0.2
99.00898	0.2
101.02446	3.9
103.04087	0.1
111.04453	0.1
113.02457	2.0
115.04052	0.1
119.03518	0.9
125.02462	0.2
131.03442	0.1
133.05083	0.4
143.03537	0.3
149.04630	0.1
152.99620	0.1
157.05078	0.2
161.04550	1.4
179.05598	0.6
210.98059	0.1
235.08209	1.0
253.09286	13.8
254.09515	0.4
261.22284	0.3
279.23279	100.0
280.23618	7.0
329.37119	0.1
357.68893	0.1
441.99866	0.1
496.65970	0.1
527.77411	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74018	0.2
61.98813	1.2
82.63927	0.3
86.68333	0.3
94.55060	0.3
94.70658	0.3
96.42522	0.3
106.04212	0.6
107.05025	0.8
163.11279	31.2
164.11626	1.4
175.11229	1.5
176.12053	1.6
177.12845	4.0
179.22664	0.3
189.72914	0.2
190.09995	0.9
201.12810	0.4
207.10310	0.4
208.11023	3.0
267.13824	0.5
281.15463	1.6
282.16235	4.2
283.17010	5.6
284.17383	0.6
293.15482	2.0
294.16107	0.7
295.16943	0.6
297.14838	0.3
322.95172	0.3
339.23257	100.0
340.23569	8.8
340.27698	0.5
349.21875	0.5
351.23257	6.1
352.23596	0.6
433.50827	0.3
515.35284	76.0
516.35675	11.9
516.41272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67614	0.3
57.81515	0.3
59.01373	0.6
61.98833	100.0
69.77497	1.5
83.89368	0.3
122.13570	0.3
144.17136	0.3
146.80653	0.3
200.47186	0.3
249.68054	0.3
302.46106	0.3
307.63449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
61.98833	100.0
67.26604	0.5
71.01397	0.5
90.15830	0.5
115.05568	2.0
116.05873	0.6
131.04735	0.6
187.04066	1.8
188.04375	1.2
287.06348	0.6
310.83127	0.5
367.06223	0.6
431.34155	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.6
57.03442	2.5
58.00569	1.8
59.01379	100.0
60.01699	2.0
61.47789	0.9
61.98828	26.4
71.01383	30.0
71.56683	1.4
72.99296	4.0
73.02946	7.1
74.05317	1.0
75.00871	0.9
83.01387	3.8
85.02954	11.4
87.00877	2.6
88.24069	0.9
89.02447	18.7
93.84908	0.8
95.01379	2.8
96.96020	1.3
99.00906	2.3
99.04497	2.0
99.92590	4.7
101.02439	20.8
102.02765	1.4
113.02441	11.5
114.93372	1.1
115.92075	6.8
116.92860	31.2
117.03412	1.5
119.03491	8.8
119.04968	1.5
120.05295	1.0
123.04522	1.3
125.02391	1.4
131.03485	2.5
133.02917	1.8
134.03735	4.7
135.04523	83.0
143.03473	3.8
149.04559	1.0
154.99774	1.5
159.02905	1.0
160.01648	2.9
161.02415	3.9
161.04546	4.0
163.03972	1.7
163.06105	3.1
165.12737	0.9
166.05132	1.6
171.41937	1.0
173.00880	2.3
174.01416	1.4
175.02556	1.1
175.03961	3.8
175.17847	1.0
179.03499	86.9
193.04922	1.5
203.77422	0.8
205.07184	2.3
207.06612	0.9
236.10936	0.9
291.54309	0.9
323.07657	1.2
337.09155	2.8
371.20474	1.6
405.22037	14.1
405.72247	2.3
414.80658	1.0
431.09796	1.3
473.11569	0.9
475.21744	2.7
517.09967	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	517.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	63.6
60.01709	0.7
61.02328	0.4
61.98833	1.6
62.70974	0.4
69.22135	4.7
79.86727	0.5
82.68957	0.5
82.78277	0.4
90.97121	1.3
118.96597	0.5
132.98201	1.9
144.83932	0.4
145.28218	0.5
157.03517	1.0
174.99240	26.5
175.99559	0.6
192.95917	0.4
201.02527	8.4
202.02728	1.0
207.02017	0.4
210.57425	0.4
217.00287	100.0
218.00545	2.2
242.70638	0.5
359.01459	12.6
360.01779	1.1
374.99197	55.2
375.99506	2.1
386.08734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02424	0.4
57.03439	2.1
58.00608	0.4
59.01382	11.6
61.98829	2.9
69.57560	1.7
69.57968	0.8
71.01389	4.6
73.02948	1.8
83.01410	0.4
85.02961	1.6
87.00874	0.7
87.04522	0.4
89.02448	2.5
91.86617	0.4
96.96017	1.0
98.95621	0.8
99.00878	1.1
99.04515	2.7
99.92590	12.9
100.92677	0.6
100.93363	1.7
101.02444	3.7
103.00352	0.5
103.04011	0.6
111.00826	0.4
113.02454	1.7
115.92084	21.4
116.92863	100.0
117.03458	0.4
117.92872	4.0
119.03508	1.8
125.02442	1.1
128.03511	0.9
133.02997	0.6
134.03752	1.3
135.04526	21.0
136.04854	0.9
140.92897	0.6
141.93628	0.5
142.94424	0.8
143.03476	1.0
143.04625	1.0
145.02963	0.6
156.92357	0.7
159.02957	0.5
161.02400	1.3
161.04535	1.5
163.03912	0.5
163.06131	1.1
167.10658	0.6
174.01587	0.5
175.02521	0.4
175.03922	0.6
179.03497	22.7
180.03888	0.9
182.73257	0.4
184.91792	1.8
186.93422	0.5
193.04984	0.5
196.95540	0.4
205.07207	1.0
232.08792	0.4
272.08975	0.6
285.04413	0.5
306.07617	2.0
323.07507	0.5
337.09338	0.4
356.12589	0.9
371.20816	1.0
395.07990	0.7
396.08731	0.5
409.96091	0.5
413.09048	3.1
414.10022	0.4
431.10126	3.5
443.09592	0.5
455.10025	1.9
473.11169	5.4
474.11688	0.7
475.21585	1.3
481.08032	1.5
482.08261	0.4
499.09991	0.5
517.10138	19.7
517.26630	0.8
518.10138	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	517.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01414	0.3
57.03448	0.6
59.01381	7.5
61.36140	0.4
61.98834	1.8
64.57012	0.5
69.36295	2.9
71.01383	2.2
72.99302	0.9
73.02957	0.9
79.63204	0.3
85.02970	0.9
87.00854	0.4
89.02445	1.4
99.00883	0.9
99.04530	0.8
99.92587	12.3
100.92693	0.4
100.93347	1.9
101.02454	1.7
103.00355	0.4
113.02431	1.1
113.92779	0.4
115.92084	23.7
116.92863	100.0
117.92878	4.5
119.03508	0.5
119.05017	0.8
125.02432	0.5
132.02184	4.5
133.02942	1.0
134.03738	4.8
135.69148	0.3
140.92920	0.5
141.93616	0.6
142.94310	0.8
143.03464	0.6
145.02960	0.9
146.03749	7.7
147.04376	0.4
149.06050	1.0
156.92377	0.6
158.93861	0.9
160.01668	18.7
161.02119	0.5
161.04736	0.7
161.06097	2.7
163.04028	0.6
163.06128	0.7
164.04788	5.7
175.04002	22.3
176.04475	1.0
178.02690	0.4
179.07141	7.5
179.17451	0.4
184.91798	1.4
184.95656	0.4
193.05063	3.8
196.95758	0.4
202.02702	0.4
217.04996	0.7
226.96591	0.4
235.06371	0.4
276.61978	0.3
309.27808	0.4
337.09302	19.9
338.09634	1.2
395.08081	0.8
412.71216	0.5
413.09042	3.5
431.10226	3.8
432.10556	0.8
443.10513	0.5
455.10202	1.5
473.11166	6.2
474.11172	0.4
481.08060	0.9
517.10181	17.4
517.17352	7.0
517.29980	0.5
517.97101	0.4
518.10541	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	517.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.4
69.57864	77.1
71.01373	17.1
85.03006	12.8
87.00872	34.0
89.63578	9.9
92.92818	56.3
115.00378	45.9
175.02512	100.0
191.05527	16.8
209.16187	10.5
304.96756	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	517.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77863	6.1
59.01354	11.7
70.74667	12.9
70.75006	7.2
71.01384	18.2
87.00863	42.1
115.00380	45.4
145.10526	7.7
175.02469	100.0
195.65059	5.9
363.17642	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	517.156
Annotation	6'-O-beta-D-glucopyranosylgentiopicroside
Peak:m/z	Relative Intensity
53.83209	0.9
59.01115	1.0
59.01381	14.4
60.18429	1.0
60.71483	1.0
61.62391	0.8
66.79738	0.9
67.50133	0.9
71.01382	10.7
71.33152	1.2
73.02945	1.6
83.01414	1.2
85.02942	3.3
87.00864	7.9
89.02441	8.6
89.03964	1.3
94.12100	0.9
95.01384	1.4
101.02435	7.3
104.02532	0.8
113.02466	5.7
117.03445	4.2
119.03497	2.4
132.02165	17.5
133.02885	1.9
134.03738	65.7
135.04347	1.4
143.03461	1.7
147.04489	1.5
149.06091	8.9
160.01657	74.0
161.02025	3.0
161.04468	1.7
175.03995	100.0
176.04678	7.4
178.02690	3.7
179.05531	1.3
191.07137	11.5
193.05045	90.9
194.05368	4.1
207.06567	2.7
217.04921	1.1
220.03647	1.3
235.06110	27.7
236.06393	2.7
252.70279	0.9
265.07193	7.9
295.08167	10.0
296.08734	1.2
331.94061	0.9
337.09308	6.8
341.10886	1.8
345.14063	1.0
355.10294	3.4
483.08087	1.2
517.15582	56.7
518.16174	6.3
528.45624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03437	1.2
59.01379	19.1
61.98818	1.0
69.03456	12.4
69.73978	2.0
70.03783	0.4
71.01381	12.7
72.99300	1.1
73.02943	5.2
75.00856	0.4
79.01889	10.8
81.03477	0.6
83.01385	1.2
83.63052	0.3
85.02948	6.6
87.00868	2.7
87.04516	1.3
89.02448	4.4
89.87747	0.3
95.01392	3.2
97.02948	6.8
99.00871	1.7
99.04524	0.5
101.02444	8.8
103.04010	2.5
107.01389	22.7
108.02225	2.7
109.02953	1.2
113.02438	7.3
115.04030	1.8
116.92863	1.0
119.03513	2.0
121.02925	0.8
123.00870	3.0
125.02444	12.1
127.04080	0.5
131.03503	2.4
135.00879	60.2
135.04515	5.3
136.01196	1.6
143.03485	4.5
145.02953	0.4
145.05026	1.2
149.02408	0.5
151.00343	4.8
152.01144	5.1
159.02986	0.7
161.04539	6.2
163.04010	0.6
163.06116	6.0
166.02705	23.4
167.03482	100.0
168.03839	3.0
174.01732	0.4
175.02449	0.5
179.03481	5.5
179.05066	0.4
179.05724	0.6
205.07147	6.3
209.04610	1.7
221.04593	1.0
231.03020	0.6
247.08208	1.1
250.97507	0.4
251.05457	0.6
263.05292	0.5
311.07703	2.4
329.08740	6.0
330.09222	0.7
353.08994	0.8
371.09863	2.9
443.11884	2.1
457.13202	2.0
475.14548	34.2
476.15030	2.9
485.12692	1.8
517.15509	5.4
517.26837	0.7
535.13135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01379	18.6
61.98827	4.6
69.47633	3.2
71.01376	5.4
72.99303	0.7
73.02954	1.3
80.91682	0.9
83.01385	1.2
85.02956	2.7
87.00863	1.4
89.02441	2.6
91.01906	0.7
95.01339	0.6
98.20624	0.7
98.95554	0.5
99.00880	0.9
99.92588	11.2
100.92638	0.4
100.93404	1.6
101.02446	3.4
103.00397	0.5
113.02473	1.9
114.94893	0.6
115.92076	24.2
116.92857	100.0
117.92889	4.5
119.03497	0.8
119.05008	0.8
123.04495	0.9
125.02434	0.5
132.02168	11.7
133.02936	1.4
134.03741	10.4
135.04529	1.0
141.93649	0.6
142.94371	0.8
143.03474	0.6
145.02913	1.1
146.03743	16.9
147.04297	1.1
149.06068	1.9
156.92354	0.8
158.93837	0.6
160.01659	44.2
161.01991	1.2
161.04686	0.8
161.06070	6.0
162.06465	0.6
163.03983	1.2
163.06152	1.1
164.04779	12.2
165.05452	0.6
167.03482	1.7
174.93506	0.6
175.03993	50.6
176.04419	1.9
178.02763	0.6
179.07129	16.1
180.07492	0.7
183.94611	0.5
184.91818	2.1
193.05043	10.1
205.07143	1.0
235.06122	0.8
250.42125	0.5
277.07236	0.8
283.01520	0.5
304.46133	0.5
337.09277	44.3
338.09491	3.2
361.16611	0.9
413.08929	2.6
431.10001	3.4
443.10095	0.6
455.10104	1.4
473.11105	4.8
481.08182	1.2
517.10071	14.9
517.17194	15.4
517.29211	0.8
518.10388	2.3
518.17572	1.6
539.58276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.54116	8.1
59.01385	94.0
60.38287	7.8
69.21925	83.4
71.01379	28.7
73.02938	9.6
83.01381	9.9
85.02941	23.4
85.82541	8.4
89.02453	12.6
98.19794	14.9
101.02428	28.5
113.02415	24.0
117.49330	7.8
146.48502	8.3
161.04532	19.0
179.03528	47.5
191.94833	8.4
194.05795	41.5
209.08165	79.0
269.10303	23.3
275.69318	8.9
415.16058	100.0
416.16254	9.5
457.17621	43.1
539.81940	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	517.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03435	1.1
59.01378	12.9
59.20999	0.4
61.98827	2.0
68.99817	42.5
69.03445	0.5
69.51880	0.9
69.52283	2.6
71.01381	14.7
72.99311	0.8
73.02946	16.7
83.01382	1.5
85.02951	7.5
87.00887	0.8
87.04503	0.7
89.02448	5.2
95.01405	2.0
95.02081	0.4
96.96027	1.4
97.02950	0.5
99.00880	100.0
100.01245	1.7
101.02438	10.7
113.02453	7.6
115.05499	0.6
117.01931	1.7
119.03510	2.3
124.20232	0.4
125.02448	0.9
129.01958	0.7
135.04538	4.8
143.03467	1.8
145.03012	0.6
159.02962	1.4
161.04552	12.8
163.04005	1.2
179.05690	0.6
187.03975	1.2
221.08209	1.0
255.19637	0.7
289.29321	0.5
350.81491	0.5
399.23706	1.0
417.24921	24.7
418.25317	2.4
487.17877	0.6
517.30823	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	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97018	0.6
53.77417	0.6
55.01881	2.3
55.18956	0.7
57.03436	3.2
58.00590	4.4
59.01381	100.0
60.01696	0.7
61.98847	1.8
69.03475	2.4
71.01383	48.5
71.57029	0.7
72.00900	0.7
72.99308	7.4
73.02946	28.1
74.03286	0.6
75.00879	0.8
83.01383	6.2
83.05031	0.7
85.02953	24.2
86.00107	3.1
86.03316	0.7
87.00880	19.7
87.04514	8.6
88.98833	1.3
89.02447	36.1
95.01403	1.7
96.00922	2.6
97.02928	1.2
99.00908	2.2
99.04535	1.4
101.02444	55.9
103.04013	23.9
104.04404	0.8
111.12669	0.6
113.02452	13.2
115.04015	12.6
119.03504	25.5
123.04526	4.1
125.02453	1.9
127.04021	2.3
131.03503	18.8
135.04616	0.7
141.08958	0.8
143.03502	24.3
145.05070	8.2
145.06233	1.0
145.06575	0.9
147.04576	2.1
159.02972	0.9
161.04572	4.4
161.08858	0.7
163.06122	80.2
163.67953	0.7
164.07330	4.2
179.03531	5.1
179.05577	1.2
188.07167	29.9
194.05840	4.8
205.07166	46.7
206.07597	0.7
209.08202	8.4
232.05975	1.0
247.08220	17.5
277.71701	0.6
297.59900	0.7
475.22037	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64865	0.5
50.84537	0.6
55.01883	4.9
57.03451	7.9
58.00595	4.3
59.01380	100.0
59.50673	0.6
60.01717	0.7
61.98827	2.3
69.03469	2.7
69.30751	5.3
71.01383	78.1
72.99306	6.0
73.02944	34.6
75.00871	2.5
81.03489	1.1
83.01385	8.1
83.05035	0.9
85.02953	38.9
86.00108	2.7
87.00879	16.3
87.04527	5.9
89.02447	39.6
95.01397	5.2
97.02946	2.0
99.00877	6.6
99.04549	1.1
101.02445	75.0
103.04016	20.8
107.01349	0.7
113.02448	27.6
113.32636	0.6
115.04012	11.7
115.04766	0.9
119.03506	27.7
123.04543	4.1
125.02465	3.6
127.04044	2.2
131.03506	17.6
131.04457	1.1
135.00949	1.1
135.04541	3.1
143.03499	26.4
143.34720	0.6
144.03839	1.2
145.05084	7.9
145.88718	0.6
146.22002	0.6
149.04588	0.9
151.00320	0.6
159.03038	3.4
161.04547	16.8
163.06126	79.8
164.06543	1.7
167.03474	10.9
179.03563	2.4
179.05585	3.5
179.82455	0.6
205.07170	55.9
206.07579	1.5
209.15538	1.3
238.58739	0.6
247.08218	25.9
248.08636	1.5
265.09244	0.7
295.10489	0.9
307.10547	1.0
325.11658	1.3
327.48416	0.6
333.52728	0.8
371.20877	1.6
415.16287	1.4
470.49506	0.7
517.15424	5.5
517.26666	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	517.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54844	0.5
54.10121	0.4
57.21064	0.4
59.01379	100.0
60.01707	1.1
61.98833	4.8
71.01383	5.0
72.99325	0.5
73.02962	3.8
75.00871	0.6
83.01395	1.2
85.02961	1.4
87.00861	0.6
89.02470	1.7
89.94315	0.5
95.01422	0.7
95.50243	0.4
101.02448	5.2
109.03017	0.5
113.02474	1.7
116.92859	2.2
119.03539	1.3
119.05040	1.2
134.03751	0.9
136.01665	1.9
143.03494	0.6
149.04582	0.6
150.05569	0.9
151.04021	2.5
160.01700	1.8
161.04582	1.9
163.04094	0.9
175.02620	0.6
175.04044	1.8
179.03624	0.4
193.05046	1.0
235.06119	0.5
337.09427	1.0
356.12762	0.8
357.13348	0.8
358.13818	0.7
517.18933	0.9
517.30426	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	517.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17955	0.3
55.01878	2.5
57.03432	1.7
58.00580	0.9
59.01381	25.7
61.98824	1.2
69.03450	0.5
69.21789	1.2
69.22216	2.9
71.01381	25.9
72.01726	0.4
72.99297	1.6
73.02946	6.8
75.00863	0.5
83.01382	4.7
85.02441	0.8
85.02950	13.1
86.00102	0.9
87.00864	1.4
89.02448	7.0
95.01398	2.8
96.07041	0.4
97.02919	0.7
99.00904	2.7
101.02439	14.8
111.00873	1.3
113.02448	9.2
119.03477	1.9
121.02942	2.6
125.02422	0.7
137.09877	0.5
139.11237	0.4
143.03513	0.4
159.03008	1.0
161.04544	2.5
171.13876	1.0
225.05675	0.4
245.94853	0.4
260.11469	0.4
270.79782	0.4
311.25958	1.7
313.07199	0.5
325.12076	0.4
371.20685	0.8
401.08710	1.7
415.06973	0.4
473.31253	3.6
517.30182	100.0
518.30530	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	517.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.92617	0.2
58.00612	0.2
58.02536	0.2
59.01380	6.2
60.01701	0.2
60.62029	0.2
61.98828	1.7
71.01379	4.3
72.99278	0.3
73.02948	0.8
74.37818	0.2
75.25239	0.2
78.76198	0.2
83.01374	0.6
85.02945	0.8
87.00871	0.4
89.02450	3.3
95.01380	0.3
96.98525	0.2
97.02942	0.2
99.00857	0.2
101.01779	0.3
101.02441	4.1
101.54859	0.2
101.85556	0.2
103.03983	0.2
103.62424	0.1
113.02445	2.2
119.03511	0.9
125.02439	0.3
133.05051	0.2
143.03485	0.3
152.99525	0.2
161.04561	1.6
179.05588	0.6
235.08257	0.9
253.09280	15.2
254.09436	0.5
281.24844	100.0
282.25204	7.5
282.28391	0.3
297.83832	0.2
300.09579	0.2
401.08902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47742	0.1
55.01886	0.3
57.03437	0.1
58.00592	0.2
59.01377	4.5
60.21106	0.1
66.98381	0.1
69.03452	0.1
71.01380	3.8
72.99303	0.2
73.02938	0.9
83.01402	0.6
85.02948	1.0
87.00876	0.5
88.02479	0.1
89.02443	3.1
91.04014	0.4
95.01401	0.2
97.02960	0.2
98.19809	0.2
99.00883	0.2
101.01782	0.2
101.02444	3.7
113.02450	1.7
115.03998	0.1
116.09633	0.1
119.03500	0.9
125.02460	0.2
131.03514	0.1
133.05046	0.3
143.03490	0.3
149.04544	0.1
157.04987	0.1
161.04553	1.5
179.05640	0.4
229.49715	0.1
235.08240	0.9
243.81058	0.1
253.09270	13.0
254.09715	0.5
262.21585	0.1
281.24835	100.0
282.25195	7.2
337.21732	0.1
419.04599	0.1
430.08688	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	517.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05788	1.4
59.01380	100.0
61.98822	4.3
69.58746	1.5
71.01401	2.6
71.55938	2.0
78.95892	2.6
152.99553	4.3
196.12733	1.7
229.22139	1.6
235.08154	2.2
253.09349	2.3
254.09552	3.8
279.23297	18.5
280.23608	20.5
281.23947	19.9
345.76639	1.6
443.27942	2.7
527.70667	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	517.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76781	0.6
59.01379	100.0
60.01717	1.4
61.98828	0.8
63.73329	0.6
69.72707	1.1
69.73120	2.3
73.40804	0.5
78.95901	0.7
92.92666	0.7
122.81894	0.6
152.99602	0.9
163.78537	0.6
179.07147	0.9
255.73637	0.6
380.68832	0.7
540.57611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.2
60.01708	1.8
61.98839	6.1
69.53780	7.5
71.01394	8.4
73.02946	3.8
73.55676	1.0
81.03435	1.5
83.01387	1.8
84.20140	1.1
85.02958	5.7
89.02456	3.5
94.82708	1.0
95.01392	1.5
95.05054	1.3
97.02954	1.4
99.00858	1.9
101.02448	6.2
104.05090	1.4
106.06629	100.0
107.06952	2.2
108.08179	3.7
111.04527	1.4
113.02432	5.2
114.01952	1.3
118.06607	1.9
123.04509	3.2
125.02428	3.1
126.01965	3.9
130.06609	2.5
134.06139	1.2
135.00893	2.7
137.02469	1.0
143.03459	1.8
150.05611	73.1
151.05986	2.3
151.07713	1.4
161.04541	4.6
163.03958	1.2
164.07170	20.0
165.05577	2.7
166.02734	1.9
167.03479	7.9
168.02843	1.3
174.04091	1.6
174.05516	2.3
181.05064	1.2
186.04053	3.9
192.06670	10.3
193.05052	2.0
194.04585	29.2
195.06606	3.2
207.06604	1.6
209.04474	5.7
211.06186	1.1
221.08336	1.3
228.05096	1.7
236.05617	10.1
237.07706	4.9
239.05594	3.2
249.07614	2.8
261.07626	1.0
267.08780	1.2
269.10202	2.3
270.10645	1.9
279.08762	27.9
292.08215	1.4
295.19269	1.0
296.07788	6.6
309.06357	1.6
309.09796	18.9
323.81253	1.0
339.10788	5.4
352.10446	1.9
356.09857	73.9
357.10117	4.5
381.11932	2.7
394.11307	2.3
398.11038	1.1
399.12869	4.0
411.13068	1.5
415.15811	3.2
416.16437	10.6
417.16730	1.3
458.17337	4.3
476.14438	1.6
518.16278	4.3
519.16516	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	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
57.03444	3.0
59.01381	93.5
60.01708	1.2
61.98831	100.0
71.01381	21.1
71.15919	1.3
71.16235	1.6
73.02934	8.9
83.01407	3.5
85.02959	4.9
87.00893	2.7
89.02448	6.9
95.01348	2.0
96.00916	2.7
101.02438	11.3
109.02931	1.4
113.02470	6.3
119.03486	3.1
119.05001	1.8
123.04514	4.7
124.05035	1.1
125.02391	1.4
131.03519	1.3
131.50603	1.1
136.01680	4.5
143.03516	2.1
145.06548	1.2
147.04498	3.5
151.04024	5.0
161.04565	3.5
163.03958	1.6
163.06139	2.1
164.04387	1.4
164.07127	6.2
175.02457	1.4
175.03998	1.1
177.01930	2.5
188.07166	29.4
189.07504	1.5
192.11479	2.0
203.05623	4.9
205.05074	2.2
207.13901	16.1
265.20663	1.2
331.17676	1.7
367.10663	1.4
369.62775	1.1
399.23816	3.1
430.43790	1.2
477.23395	7.9
518.16492	4.0
518.29968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
57.03444	3.0
59.01381	93.5
60.01708	1.2
61.98831	100.0
71.01381	21.1
71.15919	1.3
71.16235	1.6
73.02934	8.9
83.01407	3.5
85.02959	4.9
87.00893	2.7
89.02448	6.9
95.01348	2.0
96.00916	2.7
101.02438	11.3
109.02931	1.4
113.02470	6.3
119.03486	3.1
119.05001	1.8
123.04514	4.7
124.05035	1.1
125.02391	1.4
131.03519	1.3
131.50603	1.1
136.01680	4.5
143.03516	2.1
145.06548	1.2
147.04498	3.5
151.04024	5.0
161.04565	3.5
163.03958	1.6
163.06139	2.1
164.04387	1.4
164.07127	6.2
175.02457	1.4
175.03998	1.1
177.01930	2.5
188.07166	29.4
189.07504	1.5
192.11479	2.0
203.05623	4.9
205.05074	2.2
207.13901	16.1
265.20663	1.2
331.17676	1.7
367.10663	1.4
369.62775	1.1
399.23816	3.1
430.43790	1.2
477.23395	7.9
518.16492	4.0
518.29968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37055	1.1
59.01379	37.8
59.01682	1.8
61.98830	100.0
71.01382	10.2
71.27045	2.3
71.83535	1.0
73.02945	12.0
83.01411	1.5
85.02975	1.9
88.67612	1.2
89.02441	4.5
91.52079	1.1
93.00806	1.1
96.72277	1.1
98.49490	1.1
101.02445	14.0
113.02444	6.5
119.03481	1.8
131.03462	1.4
137.09734	3.0
140.34828	1.0
143.03542	2.2
149.04543	2.5
161.04617	5.5
178.73975	1.2
210.04715	1.2
221.06648	1.4
325.69284	1.1
477.23627	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	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.0
57.03449	2.3
58.00594	1.1
59.01379	100.0
61.98830	15.6
64.83418	0.2
68.99805	0.4
69.03450	1.4
69.27951	0.8
69.28368	1.7
69.65828	0.3
71.01379	38.1
71.05039	0.3
72.99306	2.1
73.02946	18.4
75.00852	0.6
81.03474	0.5
83.01385	7.2
83.05027	0.4
84.02235	0.3
85.02951	22.4
86.00110	0.9
87.00879	3.5
87.04512	0.7
89.02441	5.8
95.01389	3.9
97.02951	1.8
97.06653	0.2
99.00879	6.4
99.04522	0.5
99.08210	0.4
101.02441	30.9
103.04004	3.4
104.65808	0.3
109.02969	0.4
111.00924	0.4
112.01640	0.6
113.02444	19.3
115.03990	1.7
119.03503	1.8
124.49201	0.3
125.02445	3.8
127.03998	0.9
129.01942	0.6
131.03494	2.5
131.52693	0.2
135.04558	0.5
143.03503	5.6
143.04565	0.4
145.05081	0.8
159.02969	3.6
161.04555	17.1
163.06139	2.0
169.12341	1.5
179.03453	0.5
185.04530	0.4
195.27791	0.2
195.55240	0.3
205.07208	1.4
221.06659	0.3
265.14420	3.0
306.07559	0.5
313.16580	5.0
331.17599	28.2
355.17264	0.4
373.18625	3.4
393.03607	0.3
459.22351	0.8
463.81909	0.3
477.23383	98.7
519.24445	32.6
519.35748	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91515	0.2
56.81407	0.2
59.01376	0.4
61.98823	0.8
62.96401	0.3
70.85457	0.6
78.95905	46.5
79.98579	0.2
96.96964	5.7
100.21159	0.2
100.78606	0.2
107.11591	0.2
111.86151	0.2
142.37650	0.3
150.98001	1.9
152.83989	0.2
152.99588	100.0
153.99942	0.9
171.00624	4.3
179.69888	0.2
196.95744	0.2
224.93419	0.2
248.90236	0.2
277.21844	0.8
431.22003	20.8
432.22159	1.7
518.25165	3.0
518.32062	0.3
519.25848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.1
61.98832	100.0
63.93971	0.7
66.13335	0.8
71.56192	0.8
85.85877	0.7
89.66456	0.7
95.37698	0.7
97.15054	0.7
104.77379	0.9
127.07664	1.0
145.03012	0.8
277.21912	0.7
303.99438	0.8
341.67093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.7
61.98830	100.0
69.21656	6.1
69.22085	7.1
69.50665	1.1
71.01391	3.2
92.16426	1.4
97.90566	1.2
119.59946	1.2
124.27703	1.3
148.14880	1.3
218.27927	1.3
293.21320	2.8
337.03467	1.3
340.46228	1.3
455.26471	17.5
456.27063	1.6
484.20016	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42330	0.6
54.19916	0.5
59.01381	20.9
61.98823	0.7
69.00542	0.5
71.01391	1.8
71.03282	1.3
73.02948	0.8
74.60397	0.4
79.10928	0.5
81.03436	0.6
85.02959	1.0
89.16676	0.4
90.75317	0.5
97.02966	0.5
101.02458	1.0
113.02436	1.0
119.05027	2.3
125.02444	2.0
127.07653	100.0
128.07970	3.4
135.04550	0.7
145.03011	0.5
146.46365	0.5
151.03926	0.5
154.08133	0.5
162.03177	2.5
163.03993	1.9
164.74594	0.5
167.03421	0.6
171.06628	62.4
171.77255	0.5
172.07022	2.3
177.05598	1.4
179.03430	0.5
221.77782	0.5
257.08084	1.2
265.45251	0.6
309.92154	0.6
315.25500	1.1
433.17163	1.8
459.29843	0.7
477.30716	1.5
519.17041	3.3
519.31744	7.2
520.32684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
57.03436	2.0
59.01379	100.0
59.74424	1.5
61.98829	13.5
69.19721	15.1
70.22114	1.8
70.41179	1.7
71.01379	52.8
72.99308	4.1
73.02943	13.1
79.78149	1.7
83.01368	7.1
85.02942	17.4
87.00877	10.3
88.98839	1.9
89.01924	3.3
89.02447	40.5
90.02791	1.7
95.01375	2.5
97.02943	1.8
98.20644	4.8
99.00886	4.1
101.02446	33.2
103.03993	5.6
108.02151	3.7
113.02457	21.6
115.04018	3.8
115.46128	1.6
119.03493	16.6
121.02977	3.1
123.04529	3.3
125.02436	5.1
131.03519	8.4
136.01657	31.4
143.03545	12.5
145.05084	3.3
147.04552	1.8
150.03107	2.2
151.02866	2.8
151.04010	38.9
152.04286	2.2
159.02928	1.7
160.05302	2.5
161.04552	10.3
163.06120	19.3
179.03638	2.1
179.05591	9.0
200.33160	1.5
203.07141	6.5
205.07072	10.7
238.73944	1.9
247.08134	6.3
265.09222	1.7
265.14368	1.9
272.26428	1.7
284.75293	1.7
294.09000	1.6
309.11618	1.8
331.17575	5.8
339.12350	5.6
346.89917	1.8
357.13419	39.2
416.05972	1.6
438.39093	1.8
441.17395	4.8
477.23453	24.7
478.24091	2.5
519.24109	5.8
520.26654	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	519.187
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01379	72.2
61.98829	1.4
66.08768	1.2
69.03467	1.6
69.53643	3.5
69.54053	4.4
71.01384	29.5
71.45389	1.1
72.99308	2.1
73.02946	26.5
83.01394	3.9
85.02957	10.5
86.00089	2.6
87.00877	11.4
87.04520	3.9
89.02442	22.8
99.00918	1.3
101.02441	34.6
103.04012	8.5
107.67134	1.4
108.02189	2.0
113.02438	13.1
115.04017	6.9
119.03497	13.0
121.02985	4.0
122.03738	1.6
125.02438	2.1
127.03996	1.4
131.03490	9.0
136.01663	72.2
137.02251	0.9
143.03511	15.2
145.05064	4.1
151.04008	100.0
152.04361	2.9
161.04529	2.8
163.06129	25.7
169.80734	1.3
179.05606	4.0
188.07129	1.6
189.07483	1.7
203.07130	1.9
205.07147	22.1
247.08260	5.4
247.27357	1.4
276.13626	1.1
339.12207	3.8
342.11008	4.2
347.49576	1.4
357.13416	90.2
358.13803	5.9
441.17676	1.9
477.23438	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	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
57.03441	1.3
58.00598	1.5
59.01382	100.0
60.01722	0.5
61.98827	4.6
69.03456	1.2
71.01385	35.5
72.99313	1.7
73.02949	16.7
75.00887	0.9
81.03500	0.7
83.01383	3.7
85.02956	17.7
85.03458	1.0
85.35838	0.5
86.00100	1.3
87.00883	8.5
87.04536	1.8
87.92244	0.6
89.02447	15.1
89.11131	0.6
95.01400	3.9
97.02959	2.1
99.00907	3.1
101.02445	25.7
103.04024	5.0
108.55701	0.5
109.02953	0.6
113.02449	16.0
114.02853	0.6
115.04025	3.6
117.49786	0.6
119.03512	6.6
125.02448	3.1
127.04050	0.9
131.03494	9.1
143.03513	8.9
145.05104	2.0
149.04639	0.6
151.11282	1.8
159.03047	1.9
161.04567	13.0
163.06125	9.4
179.05643	2.5
194.31299	0.5
203.05638	2.0
205.07144	8.3
221.06685	6.1
247.08289	1.8
265.14383	4.6
313.16528	2.8
318.21072	0.6
318.50763	0.6
331.17596	20.4
332.18121	1.6
367.12436	3.6
368.06934	0.6
373.18851	2.6
459.22546	1.4
477.23419	46.0
478.23645	4.4
519.24353	5.8
519.31409	1.1
526.43317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.1
57.03453	2.0
58.00593	1.0
59.01380	100.0
60.01715	0.8
69.03453	1.0
71.01381	41.8
71.05016	1.1
72.99312	1.8
73.02944	17.3
81.03445	1.5
83.01376	5.2
85.02948	22.9
86.00114	1.2
86.03355	1.0
87.00893	4.1
87.04522	1.2
89.02445	8.6
95.01382	4.3
97.02949	2.3
99.00900	5.2
101.02449	27.9
101.38054	0.8
103.04021	3.6
113.02448	18.6
115.04015	2.3
119.03511	1.7
125.02458	4.3
127.04010	1.4
129.00049	0.8
131.03519	1.7
143.03508	6.3
159.02986	3.3
161.04561	19.2
163.06192	1.6
169.12390	1.7
170.14882	0.8
205.07166	1.8
265.14502	2.0
313.16577	5.1
331.17578	21.8
332.18097	1.7
373.18524	3.0
395.15506	1.7
477.23404	83.6
478.23621	7.7
519.24512	22.7
520.24927	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	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
57.03452	2.7
58.00599	1.1
59.01380	100.0
59.92504	0.5
60.01695	0.8
60.55631	0.5
67.01912	0.6
68.62027	0.6
69.03457	1.2
69.41322	2.0
69.41750	2.5
71.01382	43.5
71.57406	0.6
72.01717	1.2
72.99295	1.2
73.02946	16.9
75.00871	0.6
81.13416	0.5
83.01390	5.9
85.02953	26.3
87.00881	3.8
87.04480	1.3
89.02450	6.7
95.01364	3.2
97.02975	1.9
99.00881	6.9
101.02447	30.1
103.04035	1.9
109.02982	0.7
111.00878	0.7
113.02451	18.8
115.04005	2.2
119.03518	1.9
125.02427	2.8
127.04009	0.7
129.01927	0.8
131.03548	0.9
143.03502	5.0
159.02980	4.4
161.04562	15.8
163.06190	1.7
205.07251	2.0
256.38980	0.6
265.14526	0.8
280.33600	0.6
313.16586	2.4
323.91745	0.6
331.17615	22.7
332.18036	1.5
361.18799	0.9
373.18625	1.9
459.22006	0.6
477.23407	86.2
478.23773	8.3
519.24487	19.8
520.24915	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11612	0.4
55.01877	2.0
57.03452	2.0
58.00598	1.9
59.01379	100.0
60.01714	0.5
61.98834	2.5
69.03457	2.1
71.01382	36.0
71.11011	1.0
71.11353	0.7
72.01729	0.6
72.99307	3.2
73.02949	18.6
73.03353	1.0
75.00874	1.6
81.03457	0.7
83.01392	5.7
85.02946	13.9
86.00108	1.9
87.00880	9.5
87.04511	3.3
89.02446	24.0
91.73908	0.5
95.01398	2.3
97.02939	1.3
99.00890	3.2
99.04509	0.9
101.02442	32.5
103.04005	8.3
106.59666	0.5
110.48567	0.6
113.02455	13.8
115.04015	4.7
119.03500	11.8
125.02438	3.3
127.04011	1.3
131.03488	8.4
136.01616	0.8
143.03487	13.9
144.46764	0.6
145.05064	3.2
149.04587	0.6
151.04039	1.0
151.34192	0.4
159.02960	0.7
161.04561	6.9
163.06120	24.5
169.12344	1.5
179.04166	0.5
179.05635	3.4
195.06596	0.9
202.25215	0.5
203.05588	0.8
205.07155	20.5
206.07419	0.9
247.08224	5.5
253.08592	0.5
265.14490	1.6
281.08408	0.6
309.07736	1.5
313.16763	1.1
324.10385	0.7
331.17606	9.7
339.12564	2.3
343.61749	0.6
357.13565	0.7
367.38712	0.5
373.18661	2.3
373.22702	2.6
386.08829	0.5
441.17853	2.0
477.23392	28.7
478.23553	3.1
519.25330	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	519.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83167	0.4
54.04800	0.5
55.01878	1.2
57.03453	1.2
58.00595	1.6
59.01381	100.0
60.01710	0.9
61.01839	0.4
61.98831	4.4
69.03463	2.0
71.01385	30.2
71.05340	1.3
72.99327	2.0
73.02944	15.3
75.00877	1.1
77.28579	0.4
79.01887	1.0
81.03457	0.5
83.01404	4.6
85.02954	12.5
86.00098	1.0
87.00884	5.5
87.04509	2.4
89.02451	14.3
95.01409	2.3
97.02961	1.2
99.00874	3.4
101.02449	22.2
103.04005	3.7
106.06628	0.8
107.01407	1.5
109.02963	0.9
113.02448	12.4
115.04005	2.8
119.03504	6.5
123.01022	0.6
125.02444	3.5
127.04040	1.3
129.04897	0.6
131.03535	3.6
133.02974	0.9
135.00902	4.1
135.04555	1.0
136.01263	1.0
137.01418	0.9
137.02443	0.6
143.03508	7.5
145.05106	1.6
149.04643	0.8
150.05545	0.7
159.03011	1.0
161.02444	1.4
161.04552	8.0
163.06126	9.0
166.02751	1.5
167.03491	7.6
168.03888	2.5
169.04002	2.0
169.12250	0.7
171.35324	0.5
179.05640	1.9
181.05115	0.7
188.07100	0.7
193.05095	0.7
195.06711	0.7
205.07190	7.1
211.06154	0.8
220.83324	0.5
247.08337	1.7
248.95403	0.5
250.13885	0.5
265.14484	1.5
313.16647	1.4
323.07816	1.4
331.17673	7.8
338.75302	0.5
373.18665	1.6
374.03943	0.5
399.23929	0.6
417.25189	1.8
459.26157	1.5
477.15671	2.7
477.23392	36.5
478.23572	3.0
519.16913	0.9
519.24536	5.4
520.25195	1.0
545.53693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01725	0.8
61.98840	4.3
69.36835	2.5
69.37263	1.5
71.01389	7.3
73.02953	2.0
83.01402	0.6
85.02949	3.3
87.04521	0.8
89.02462	1.5
95.01396	0.5
99.00913	0.8
101.02460	4.3
104.31102	0.5
107.76581	0.5
113.02458	4.9
119.03513	0.6
125.02493	0.6
129.03552	0.5
143.03519	0.8
159.02959	1.0
161.04575	2.8
162.03226	1.0
163.06198	0.9
171.81326	0.6
180.04376	2.2
195.06654	3.6
204.79639	0.4
215.17937	0.5
218.63641	0.5
235.80406	0.5
255.19786	0.7
331.17825	1.0
399.23880	13.7
417.25229	2.4
459.26010	2.4
477.23557	2.4
503.31961	0.6
508.14896	0.5
526.20404	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.2
57.03457	1.8
59.01381	50.8
60.01704	0.4
61.98830	1.7
64.76408	0.4
67.34504	0.4
69.03474	0.5
70.46450	0.6
70.46799	1.3
71.01385	11.7
72.99294	1.0
73.02953	4.8
75.00890	0.9
83.01377	3.7
83.05016	0.7
85.02958	7.0
86.00101	0.6
87.00880	1.0
89.02455	2.4
95.01404	1.2
99.00880	1.2
101.02446	11.4
111.00876	0.7
113.02445	4.8
119.03523	1.1
119.05048	0.7
135.23915	0.4
136.01628	0.5
145.02946	0.7
151.03961	1.2
159.03067	0.9
161.04573	1.9
163.04002	1.1
279.23340	0.9
297.24371	0.5
342.26859	0.4
357.13464	0.8
357.26474	2.5
441.28601	4.3
459.29651	1.6
501.30551	1.0
519.31757	100.0
520.32074	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	519.3176
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
51.23799	0.3
55.01875	0.7
57.03436	0.6
59.01380	18.7
61.01787	0.3
61.98830	1.7
67.86758	0.4
69.03438	0.3
69.23843	0.3
69.24171	2.9
71.00999	0.5
71.01382	10.1
71.05026	0.3
72.99294	0.8
73.02940	2.6
83.01385	2.0
84.28246	0.3
85.02958	4.8
86.00063	0.4
87.00872	0.9
89.02454	2.7
90.58952	0.3
92.93159	0.3
95.01404	1.0
97.02975	0.4
99.00872	1.0
101.02436	5.4
102.02802	0.4
111.00848	0.5
113.02448	3.3
119.03500	1.0
125.02438	0.4
139.11235	0.5
143.03508	0.6
161.04562	1.2
185.11815	1.4
223.13329	1.0
297.24252	0.6
309.24319	2.7
321.24231	0.8
321.28110	0.3
327.25436	6.7
328.25671	0.5
336.15091	0.3
339.25385	5.2
340.25656	0.6
357.26443	15.2
358.26700	1.5
371.27814	0.3
459.22073	0.3
477.23404	0.9
489.30869	1.9
501.30942	1.6
519.31696	100.0
520.32050	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	519.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68108	2.9
51.43278	3.3
59.01381	90.3
61.98817	7.0
62.48622	3.0
69.52598	19.9
78.95907	68.7
86.46215	3.3
96.96957	9.9
120.65640	3.9
152.99591	100.0
216.69185	3.5
239.67929	3.1
242.05516	3.4
375.34695	3.7
389.35391	3.1
433.23511	43.3
498.29263	3.6
520.25739	3.6
527.12805	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49043	1.8
59.01380	100.0
61.98818	3.4
68.13064	1.8
71.40650	1.8
75.24084	2.0
78.95905	4.0
98.19940	5.9
99.02670	1.9
99.50787	1.7
106.67272	1.8
137.44600	1.9
139.09697	1.7
151.83228	1.9
152.99583	3.5
281.24838	2.4
294.25137	2.9
368.05081	2.1
427.27451	2.2
493.62903	2.1
519.33032	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	520.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81590	0.2
59.01381	0.7
61.98830	100.0
64.92633	0.2
69.77413	1.3
71.01382	0.3
75.00866	0.4
87.00902	0.3
87.11115	0.3
88.98817	0.3
89.02435	0.5
89.62849	0.3
93.03471	0.5
95.33720	0.2
96.95995	0.3
97.19848	0.2
101.02473	0.6
113.02463	0.4
115.00384	0.3
119.03559	0.3
125.98681	0.3
128.03571	0.3
133.06642	1.1
134.03574	0.2
137.02496	0.3
139.00450	0.4
145.02971	0.9
146.04572	0.3
154.82469	0.2
155.03653	0.3
188.09206	0.3
215.07161	0.3
221.04628	0.4
222.04967	0.3
233.08263	0.3
303.05127	0.3
316.01697	0.3
316.74728	0.3
317.13577	0.8
321.05994	0.3
342.04117	0.2
348.29782	0.3
398.71359	0.3
439.12302	1.3
447.83749	0.3
460.36301	0.3
465.10416	0.6
466.10544	1.2
520.11896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99855	0.5
59.01382	14.8
60.01732	0.7
61.98832	100.0
71.01385	3.8
72.01735	0.5
73.02954	1.3
78.04779	0.5
83.01400	1.0
85.02975	1.3
89.02460	1.1
94.08912	0.4
94.63685	0.5
98.19817	0.7
100.97726	0.4
101.02464	2.4
102.02811	0.5
111.00468	0.5
113.02457	1.6
116.40697	0.5
123.04537	0.9
135.04466	0.5
143.03513	0.6
149.02411	0.6
161.04556	1.1
192.29735	0.4
204.46071	0.5
219.56799	0.5
220.59357	0.4
229.45070	0.5
290.93170	0.5
331.17694	1.0
332.18198	1.0
376.01782	0.4
477.23389	1.3
478.23813	4.1
479.25009	0.7
520.24768	0.7
540.50055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04009	0.3
58.55663	0.3
59.01376	3.7
59.47545	0.3
60.01714	0.7
61.98828	100.0
71.01365	2.2
72.45406	0.3
73.02957	1.0
85.02952	0.8
86.00153	0.3
87.00877	0.5
89.02442	0.7
98.20608	0.9
101.02461	1.4
107.28859	0.3
113.02477	0.8
116.61890	0.3
119.03532	0.3
122.03767	0.4
133.23720	0.3
143.03430	0.4
161.04602	0.5
168.59813	0.3
213.09285	0.7
232.15938	0.4
331.17523	0.5
332.18021	0.4
338.36981	0.4
478.23987	1.9
520.32159	0.6
521.33923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09239	0.3
59.01371	0.4
61.98831	100.0
69.22198	2.7
69.22607	0.8
71.01392	0.4
85.46474	0.4
121.38238	0.3
134.20358	0.3
137.97231	0.3
152.14133	0.3
172.69855	0.3
207.87111	0.3
247.70607	0.3
252.77608	0.3
497.92184	0.3
521.33368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48733	0.6
57.03452	1.0
59.01380	42.2
60.01704	2.0
61.98832	100.0
65.76299	0.7
69.58649	2.9
69.59056	1.6
71.01382	12.1
72.01720	1.0
72.07845	0.6
73.02950	5.0
73.35727	0.6
75.00823	0.8
81.24799	0.6
83.01408	2.4
85.02965	4.8
86.64487	0.6
87.00879	1.2
89.02451	2.9
94.10019	0.7
95.01411	1.2
97.02937	0.8
99.00896	1.5
101.02438	7.7
103.03996	1.0
103.35564	0.6
108.02185	1.0
109.02992	1.0
113.02428	4.4
114.02760	1.0
116.92910	0.8
118.92628	1.0
119.03532	1.6
123.04544	1.4
126.89655	0.7
143.03528	0.7
149.02426	5.5
150.02800	2.6
151.97951	0.7
153.05573	1.2
161.04536	3.8
163.06133	1.4
177.35504	0.7
177.53032	0.6
179.03468	0.9
191.03534	1.0
192.03719	0.7
218.95229	0.7
260.82907	0.7
281.40091	0.7
332.18060	2.0
333.19177	1.9
340.09088	1.7
350.52390	0.8
367.10330	0.9
399.27200	0.8
426.60342	0.7
434.36194	0.7
452.28366	0.6
477.23767	1.4
478.23807	11.7
479.24680	4.4
520.24506	3.5
520.31885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	32.0
59.20094	0.5
60.01718	1.0
61.98830	100.0
63.68400	0.5
68.44299	0.6
71.01385	7.1
71.56748	0.6
73.02950	2.3
75.00865	0.9
79.44656	0.6
83.01402	0.8
85.02946	2.9
87.00864	0.8
89.02457	2.3
99.00887	0.6
101.02442	5.3
113.02457	1.8
119.03549	1.1
140.20805	0.7
159.34373	0.6
161.04590	1.3
193.56059	0.6
203.05690	1.8
213.05652	1.2
234.23787	0.8
308.15787	0.5
413.22012	0.9
496.75806	0.7
520.12079	0.8
521.25745	0.8
521.33575	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
57.03440	1.5
59.01377	58.5
61.98828	100.0
68.32791	0.8
68.74525	0.8
71.01382	10.7
72.99306	0.9
73.02947	2.8
78.99665	0.7
83.01404	1.6
85.02953	5.5
89.02425	1.8
97.02930	0.8
98.19909	1.5
99.00879	2.3
101.02433	8.1
109.02837	0.9
113.02459	2.9
116.65847	0.7
121.02932	0.9
137.02512	0.9
143.03470	1.2
159.46844	0.9
161.04533	2.7
163.03941	0.8
180.04265	1.4
195.06599	3.1
209.15401	1.2
274.08047	1.3
351.96506	0.8
353.19571	4.1
371.20731	9.8
375.20374	4.1
413.21756	8.9
520.24963	3.0
521.25928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82429	0.3
56.70685	0.3
59.01379	2.1
61.98816	0.4
69.23788	0.3
69.23966	0.5
69.24373	2.5
78.95904	47.2
96.42393	0.3
96.96961	5.9
98.38673	0.3
99.01529	0.3
102.93932	0.3
110.66023	0.3
149.84845	0.3
150.98029	1.6
151.94958	0.2
152.99585	100.0
153.99916	1.0
166.27611	0.3
171.00636	4.8
222.13852	0.3
279.23315	1.3
280.23621	0.3
374.76196	0.3
433.23563	20.9
434.24030	2.0
492.41415	0.3
520.26758	3.3
521.27179	0.4
542.50470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05380	0.2
60.57116	0.2
69.41949	1.4
69.42368	0.6
72.99180	0.2
78.95905	46.7
96.96967	5.9
150.98032	2.1
152.99588	100.0
153.99947	1.0
171.00632	4.4
211.07298	0.3
279.23233	1.1
306.44165	0.2
328.45175	0.3
348.52805	0.3
433.23587	24.6
434.23923	2.0
476.56427	0.3
520.26758	4.0
521.27448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72355	28.1
61.98809	100.0
62.81119	35.2
71.47432	47.5
134.55652	29.8
298.66104	30.8
299.60504	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	521.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89217	0.9
59.01377	8.8
60.99313	14.7
61.98830	16.5
64.52827	1.0
71.01383	2.5
85.02961	1.9
88.98808	100.0
89.02449	2.5
101.02441	2.2
101.36972	1.1
111.00889	1.9
115.00321	1.2
117.03448	4.1
119.04990	1.7
121.02948	1.6
123.04512	1.7
125.02422	1.5
128.03470	1.7
131.04599	1.1
133.00868	1.0
135.04520	1.1
145.02939	1.4
149.02449	1.1
150.75298	0.9
161.02417	3.4
163.03990	1.8
165.05481	2.0
171.10263	2.5
175.02571	2.5
175.03981	1.0
191.03542	2.0
197.11827	1.5
218.63625	1.2
220.80206	1.1
230.21301	1.6
283.03040	1.3
283.06116	17.9
311.02054	1.8
311.05612	33.8
312.05804	2.9
341.06570	2.6
359.15067	2.0
423.47287	1.0
431.09708	40.3
432.09833	2.4
521.22296	4.0
549.78461	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1241
Annotation	Denthyrsinone
Peak:m/z	Relative Intensity
59.01362	1.0
60.46125	0.5
61.98832	9.4
70.41435	1.8
76.02202	0.5
76.46423	0.5
93.03484	0.6
104.45061	0.6
121.27972	0.6
131.21019	0.6
144.31717	0.5
163.04019	1.0
165.05594	1.0
188.95087	0.5
211.03862	0.8
240.04254	1.7
255.06593	0.9
362.05942	1.4
375.06583	1.5
376.07098	1.1
380.06885	1.6
387.06732	0.8
388.07254	0.7
390.05249	1.2
392.06750	1.3
403.05984	7.5
404.06729	7.2
405.07306	3.1
414.05283	2.2
415.06039	0.9
416.07034	1.5
417.07416	1.1
418.08484	1.6
419.05441	1.8
420.06219	2.1
423.09109	0.9
431.04501	2.5
431.10092	1.0
432.06332	12.4
433.06787	1.6
435.08612	1.5
442.04651	1.6
445.06961	0.9
446.07846	5.5
447.08929	7.7
448.05927	1.8
449.06506	1.3
457.07071	2.9
459.04578	0.8
460.05640	4.1
461.10272	3.8
463.08112	7.4
464.08331	1.0
475.08252	6.5
476.05255	1.1
478.10382	1.8
490.04126	0.9
490.10648	9.2
491.07889	1.8
506.10034	17.9
507.10352	2.4
521.12390	100.0
522.12677	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	521.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.6
61.98833	4.7
63.25560	0.4
64.88921	0.5
69.23170	4.0
88.93176	0.5
98.19866	1.1
119.04993	0.5
139.12138	0.4
197.02464	1.1
211.03914	1.0
213.01860	0.8
225.01921	16.3
226.02345	1.2
237.01945	1.4
238.02661	0.7
239.03473	1.2
240.04236	1.7
250.02658	3.3
251.03351	0.6
253.05051	2.1
265.04984	1.0
266.02130	0.9
281.04434	0.6
289.03952	0.5
375.06497	1.7
376.07449	1.3
387.06549	1.8
388.07367	1.6
391.06128	0.6
391.44540	0.4
402.05255	0.9
403.05930	6.1
403.10526	0.6
404.06824	6.7
405.07101	0.6
406.04886	0.6
414.05273	0.8
415.06058	1.8
416.06946	0.8
419.05200	0.7
419.10001	0.6
420.05850	0.8
429.07574	1.3
430.04547	0.9
431.05472	6.0
432.06311	11.3
433.06772	1.2
442.05170	0.6
443.05734	1.5
444.06552	0.9
445.07150	1.2
446.07996	4.5
447.08908	10.5
448.05502	0.9
448.09653	0.5
457.07104	0.9
459.04935	5.6
460.05771	12.1
461.05612	1.0
461.10989	0.8
462.07458	0.7
463.08224	1.6
473.06689	1.4
474.07153	1.1
475.08182	18.6
475.15054	0.9
476.05649	3.3
478.10620	0.7
488.09167	0.5
490.10522	4.1
491.07645	18.9
492.07703	2.0
505.09332	0.8
506.10046	31.8
507.10321	4.0
521.12402	100.0
522.12738	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	521.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63729	0.6
52.28857	0.6
59.01381	21.8
60.01691	1.1
61.98589	0.5
61.98833	5.7
64.06687	0.5
69.03455	1.1
71.01379	12.3
71.56941	1.1
72.99297	1.6
73.02940	4.1
76.42129	0.6
81.03442	1.9
83.01382	2.6
85.02953	7.2
87.00856	2.0
88.98824	1.1
89.02442	4.8
91.01868	0.8
93.03432	1.7
95.01379	2.5
97.02944	0.8
99.00855	1.6
101.02444	8.2
102.02734	0.6
103.04002	1.1
107.01416	1.1
108.02177	64.9
109.02966	45.0
110.03281	0.9
113.02449	4.7
115.04020	0.8
119.01408	3.2
119.03472	2.0
120.85098	0.6
121.02973	3.8
123.00865	3.0
123.04491	1.7
125.02437	2.0
131.03528	0.8
134.03726	0.8
135.00838	1.8
135.04533	3.1
136.01552	0.8
137.02464	0.7
138.03175	2.5
143.03461	2.0
144.03868	0.9
145.02902	0.8
145.05132	0.6
147.00873	2.1
147.04472	0.9
148.01662	1.4
149.02448	8.1
150.03168	2.5
151.04002	1.8
152.01152	71.2
153.01944	31.3
153.04468	0.8
153.05556	10.9
154.02318	0.9
157.66354	0.6
161.02406	1.4
161.04529	2.8
162.03207	1.2
163.03978	2.9
163.06116	2.5
164.04813	5.6
164.06105	1.1
165.01881	2.3
165.05560	1.3
167.03474	2.4
175.00377	14.4
175.03975	1.1
176.01169	11.0
177.01740	1.5
179.07129	1.1
180.58693	0.6
189.01741	0.8
190.02719	34.9
191.03491	17.0
192.03781	0.7
193.05031	0.8
194.02254	1.3
195.03055	1.1
205.05072	30.5
205.07007	2.2
206.05414	1.2
206.07253	0.9
208.03761	1.7
209.04665	2.9
223.06131	6.6
225.11192	1.2
235.34442	0.7
253.07115	2.0
271.06070	0.8
273.07516	0.7
289.16803	0.6
290.32385	0.7
297.06091	0.8
315.07205	34.1
316.07504	1.7
319.30927	0.7
333.18796	1.7
344.07178	0.7
353.08774	6.6
367.10330	13.3
375.20184	1.1
477.13947	2.6
479.24939	5.5
485.75839	0.7
489.10364	2.6
521.12891	100.0
522.13220	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.5
58.00597	4.8
59.01379	100.0
61.98830	21.7
68.99822	4.0
69.20267	11.7
69.20684	5.9
69.77499	1.6
71.01382	97.1
71.99898	1.5
72.99326	12.6
73.02946	20.0
75.00864	4.1
81.03423	2.3
83.01390	4.9
83.05016	2.3
85.02953	21.3
86.00143	1.9
87.00871	20.1
89.02446	80.0
95.01384	3.0
99.00903	2.8
99.04500	2.9
101.02448	33.9
103.04003	5.9
109.02962	2.3
111.00883	24.2
113.02459	15.1
117.03490	10.4
119.03502	8.3
119.05024	4.0
121.02937	2.1
123.04575	1.8
125.02452	2.7
127.03994	6.9
129.01929	24.0
133.02969	4.2
135.03049	2.9
135.04521	5.2
141.01933	5.5
143.03426	2.6
145.02959	61.2
145.04916	8.6
146.03772	14.5
147.04524	14.8
159.02986	8.1
161.02461	47.7
161.04539	46.8
162.03224	72.9
163.03894	5.8
163.06122	9.4
163.07423	2.0
164.04823	3.8
165.05531	3.8
177.05559	71.5
178.05914	2.5
179.05576	3.4
179.07086	6.4
189.01883	4.1
195.06691	2.5
205.53751	1.9
219.06624	5.0
221.06581	3.1
237.07767	3.5
249.07846	1.9
314.13632	2.0
339.10861	37.4
340.11301	3.2
340.15320	1.7
341.12137	6.7
342.42490	2.1
359.09927	3.4
442.95105	1.9
516.92029	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
56.47200	1.0
57.03428	1.2
58.00588	3.0
59.01380	100.0
60.01702	2.0
61.98827	13.3
69.73884	3.4
69.74294	3.4
71.01380	69.4
72.99298	5.5
73.02934	3.7
75.00875	2.1
82.27714	1.3
83.01393	4.4
85.02949	13.4
87.00858	7.3
88.59298	1.2
89.02444	83.2
90.02766	1.2
93.03454	1.2
95.01382	4.6
96.40222	1.1
101.02441	41.9
104.93372	1.1
108.02194	1.4
109.02991	2.1
113.02457	28.5
115.00350	3.6
117.05871	1.0
119.03507	40.4
119.05010	4.3
121.02946	2.6
123.04528	1.6
123.14789	1.3
131.03503	5.3
134.03819	1.4
143.03516	8.3
147.04539	1.6
149.02489	1.8
149.04578	2.3
151.04041	1.2
159.04521	3.6
160.05301	7.5
161.04536	7.2
161.05919	2.3
163.03947	1.9
163.06113	2.3
165.05519	1.7
167.70859	1.2
172.05267	3.5
173.06041	3.3
174.01674	2.7
175.02412	6.9
175.07651	2.9
176.02724	1.5
178.06480	1.4
179.03487	1.2
179.04015	1.6
179.05605	14.8
186.12796	1.1
187.07622	1.9
189.05563	8.5
190.06294	7.1
202.99974	1.8
205.08693	7.4
206.07449	1.3
210.08479	1.9
212.53273	1.4
221.00874	3.3
230.99336	1.8
280.52066	1.3
281.08246	1.7
295.05844	1.3
295.09506	1.3
296.10559	4.0
302.67685	1.2
311.12830	4.2
329.13834	2.8
341.06668	4.1
341.13889	28.0
342.14349	2.5
351.05066	1.8
371.07855	1.4
383.07724	4.5
401.08658	3.9
413.08835	1.8
461.10657	1.5
479.23804	1.7
503.12234	1.4
505.00360	1.3
521.12915	4.4
521.20428	3.6
521.28137	2.2
542.56329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.3
57.48946	2.1
58.00582	4.1
59.01380	100.0
61.98827	17.3
69.03443	2.3
69.45701	11.6
69.46104	4.0
71.01383	41.0
72.99297	2.9
73.02955	17.9
83.01406	4.7
85.02943	17.6
86.00083	3.5
87.00860	12.0
87.04513	3.8
89.02441	41.3
97.80014	2.0
98.19911	2.1
99.00917	3.1
99.04614	2.6
101.02445	53.0
103.04012	17.3
113.02448	21.7
115.03986	11.5
119.03508	23.0
131.03511	15.0
143.03510	21.3
145.05074	7.1
161.04575	4.3
163.06116	60.7
163.07408	4.2
175.39488	2.3
179.05627	3.6
184.29739	2.2
205.07164	50.8
247.05838	4.3
247.08189	32.0
307.10306	2.4
461.24020	25.2
489.95508	2.7
521.33118	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	521.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57016	1.0
59.01371	2.8
65.90425	0.8
68.93470	0.9
69.25330	8.3
72.65445	0.8
78.95947	0.9
79.95750	0.9
85.03020	0.7
88.87012	0.8
89.02445	1.2
91.03991	1.3
95.05032	2.0
96.96019	4.5
105.03462	8.7
112.01860	0.8
121.02937	1.3
123.04428	1.0
125.98015	0.8
132.02173	3.8
133.02969	35.3
134.03775	8.2
135.04491	3.0
137.02466	4.8
139.04015	1.1
147.04507	1.3
148.05283	2.3
149.06047	1.7
160.01653	25.0
161.02448	21.5
161.06062	3.5
162.03067	1.0
171.08144	1.0
171.75381	0.9
175.03998	62.5
176.04306	2.5
177.01886	2.0
178.02670	3.1
179.03439	3.6
193.05110	4.4
194.02144	1.0
225.22200	1.1
233.08197	1.8
255.23277	0.9
261.11368	1.8
271.22751	7.8
275.12979	0.9
289.14410	1.0
303.15958	1.9
317.17493	2.4
331.19232	2.1
345.20654	4.6
359.22128	1.2
361.27396	2.5
363.72971	1.0
415.24936	8.1
429.26437	22.6
430.26624	2.6
433.25681	3.1
447.27521	39.4
448.27829	3.3
506.28925	2.3
521.31238	100.0
522.31610	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	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55989	0.3
55.01030	0.2
55.01871	0.4
57.03435	1.2
58.00588	0.5
59.01381	11.2
61.98814	0.7
64.63288	0.3
69.03442	0.3
71.00999	0.5
71.01383	8.1
72.99299	0.5
73.02948	1.3
75.00830	0.3
79.57905	0.2
83.01385	1.1
85.02959	2.5
87.00869	0.5
89.02435	2.6
93.06748	0.3
95.01377	0.8
98.20609	0.6
99.00864	0.4
101.02447	4.4
111.00880	0.3
113.02452	2.3
119.03514	0.8
119.05027	0.4
124.01645	0.3
145.02982	0.3
163.03989	1.2
180.25310	0.3
229.47188	0.4
295.22818	0.6
311.22272	0.3
313.23950	2.6
313.27350	0.4
341.26956	6.6
342.27676	0.4
356.14731	0.3
359.28018	23.3
360.28488	1.5
373.29529	0.5
399.18393	0.3
401.28998	0.4
461.24042	0.6
473.70786	0.3
503.32181	1.2
521.33295	100.0
522.33661	10.1
542.61560	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03442	1.0
58.00576	0.8
59.01383	21.2
61.98563	0.6
61.98834	6.3
69.03441	0.7
71.01383	12.7
71.24489	0.5
71.56651	0.8
71.57001	0.6
72.99303	1.7
73.02929	2.9
80.22993	0.5
83.01380	3.1
83.05029	1.0
84.49223	0.5
85.02951	6.0
86.31516	0.6
87.00883	1.1
89.02452	5.5
95.01405	1.4
97.02898	0.6
97.06595	0.8
99.00858	1.3
99.04485	0.7
101.02444	8.4
106.54412	0.6
109.02966	1.0
113.02463	4.6
115.05537	0.7
117.03439	0.6
119.03550	1.2
119.05013	7.4
121.67661	0.5
145.02956	3.9
150.03264	0.7
161.04552	1.0
161.06067	0.6
163.04033	10.0
165.05574	0.8
187.04155	0.8
241.05115	0.6
259.18994	1.4
313.23752	2.4
341.26978	3.4
359.28024	17.8
360.28256	1.4
375.19901	0.9
421.24371	0.9
475.93753	0.7
503.32101	2.0
521.17761	4.2
521.33319	100.0
522.33606	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	522.125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20821	1.1
51.14228	1.1
55.01882	1.1
57.03437	1.2
59.01379	11.0
59.71565	1.0
60.03742	1.1
61.98829	53.6
71.01379	13.3
72.99304	1.3
73.02968	2.2
83.01376	2.7
85.02943	4.4
87.00871	1.8
88.98782	2.4
89.02443	3.8
91.70518	1.1
93.03473	1.6
95.01397	1.0
99.00858	2.5
101.02434	7.9
102.02755	1.4
108.02187	1.1
113.02460	3.7
117.03431	3.3
119.05004	3.7
121.02956	5.3
123.04480	1.2
125.02407	3.2
131.59866	1.0
135.04553	1.5
137.02472	1.7
139.78999	1.1
145.02945	6.5
149.02391	3.2
161.04543	1.6
161.06035	2.9
162.03271	1.5
163.04030	5.8
165.01965	1.5
165.05556	2.6
174.39670	1.1
175.03972	1.9
179.07071	2.0
190.02628	1.8
191.03467	3.6
203.03394	1.7
203.26169	1.3
204.04160	2.2
205.05061	66.1
206.05321	3.3
215.03458	1.9
233.04547	96.4
234.04840	3.5
245.04518	1.4
253.05141	2.2
255.02916	5.2
263.05579	3.0
283.02502	7.4
284.03162	2.3
295.55750	7.0
296.06128	2.0
307.08237	3.3
337.09476	1.2
339.08716	34.5
340.09064	1.9
359.20953	2.1
360.20831	1.6
361.16281	2.4
369.09528	1.6
442.76166	1.2
457.87042	1.1
459.12979	100.0
460.13388	10.1
521.26160	4.1
522.26752	9.0
523.14484	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	522.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.6
61.98830	100.0
71.01389	0.5
71.56222	0.7
82.24116	0.4
86.32375	0.4
114.24168	0.5
117.03473	1.5
118.03787	0.5
119.05078	0.8
145.02948	5.7
146.03288	1.7
150.03238	1.8
163.04016	1.0
165.05586	2.9
166.05948	0.9
170.83092	0.4
188.97525	0.5
189.96474	0.4
307.08228	1.9
308.08624	3.1
308.11563	0.5
522.16986	1.9
546.43652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	21.3
60.01715	0.5
61.98831	100.0
71.01378	3.7
72.87949	0.6
73.02962	1.2
76.56867	0.4
77.05701	0.4
85.02959	1.5
89.02448	2.1
89.51090	0.4
92.69411	0.5
99.59364	0.5
101.02440	3.0
113.02466	1.6
119.03497	1.2
147.64168	0.5
161.04607	0.7
165.05705	0.5
178.21696	0.4
202.24367	0.5
211.16881	0.6
230.19620	0.5
341.27090	0.6
342.27603	0.5
355.21326	2.2
359.27853	0.5
373.22330	6.0
374.22787	0.7
415.23322	6.6
416.24088	0.8
521.33228	2.1
522.11542	0.5
522.33594	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	522.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.2
61.98831	100.0
71.01396	4.0
71.01747	0.7
71.56611	0.6
73.02940	1.1
83.14558	0.5
85.02966	1.3
87.04527	0.7
88.98822	2.4
89.02480	1.9
95.01392	0.7
99.37411	0.5
101.02446	3.5
112.69958	0.5
113.02447	2.0
119.05018	1.2
148.92082	0.6
161.04634	0.8
163.04088	1.6
164.04544	0.9
165.05571	2.2
181.98134	0.8
183.16270	0.6
190.41998	0.5
195.35748	0.6
196.22493	0.5
304.51688	0.5
336.71838	0.6
345.93921	0.9
355.21231	1.2
358.22589	0.6
373.22125	5.0
399.50800	0.6
415.23389	6.4
483.36847	0.7
521.33270	3.7
522.33636	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	522.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.5
60.01711	0.5
61.98830	100.0
62.98550	0.4
63.99267	1.9
66.37486	0.3
69.82136	1.7
71.01381	2.1
72.99306	0.4
73.02956	0.6
85.02950	1.0
89.02476	0.4
101.02458	1.3
108.02232	0.7
109.02962	0.6
113.02435	0.8
136.90608	0.3
161.04619	0.4
161.08658	0.3
162.03256	1.0
163.03587	0.5
171.08081	0.4
177.05627	0.9
213.09319	0.5
214.05048	0.3
214.09526	1.1
257.04538	0.4
261.55023	0.3
285.04062	0.9
300.06421	1.6
315.08685	2.9
334.18393	0.4
345.09924	1.4
355.85007	0.4
414.02518	0.4
522.20538	0.6
522.33392	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	523.176
Annotation	Xanthorrone
Peak:m/z	Relative Intensity
60.39614	0.5
61.98820	0.7
70.74657	1.2
79.05266	0.6
81.92163	0.6
95.39996	0.5
95.81027	0.6
117.23647	0.6
197.02438	0.9
211.04025	0.9
212.04836	1.7
231.82271	0.6
239.03534	0.8
240.04262	1.9
250.02853	0.7
253.05089	1.6
303.14578	0.7
363.10254	1.0
379.09601	3.0
389.99716	0.6
391.09366	0.7
407.09128	10.7
408.09726	1.4
418.08450	1.3
422.11819	3.3
432.09964	1.8
433.10846	2.3
434.11667	1.0
435.08475	3.4
436.09497	0.9
441.11969	0.6
449.09796	0.8
450.11047	12.5
451.11453	2.0
460.09457	0.7
461.10303	0.8
463.08185	1.1
465.13409	32.4
466.14023	3.8
476.13007	3.2
477.13293	2.1
478.10391	7.2
491.15103	3.8
493.12854	13.7
494.13245	1.1
508.15286	31.8
509.15582	2.6
523.17657	100.0
524.18250	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	523.2184
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01872	2.7
57.03452	1.7
58.00604	1.5
59.01381	19.7
61.98827	13.6
67.44884	0.8
71.01384	21.4
71.56135	0.9
71.56529	1.1
72.99308	2.1
73.02950	5.1
83.01382	3.5
83.05016	1.0
85.02956	7.2
87.00870	2.7
88.98782	2.6
89.02446	10.0
90.12218	0.8
93.03432	1.4
95.01418	1.2
99.00887	3.2
101.02441	14.6
108.02183	1.4
109.02989	4.3
111.00849	1.3
113.02447	7.5
116.64314	0.9
119.03506	4.8
119.05000	1.3
119.31655	1.0
121.02956	12.0
122.03752	11.2
123.00876	0.9
123.04559	4.5
124.01665	1.0
125.02390	1.2
129.03394	0.9
131.03624	0.9
133.80569	1.1
134.03731	1.0
135.04527	3.4
136.05327	1.1
137.02458	2.7
137.06035	1.1
139.00386	1.7
146.03766	2.2
147.04509	8.1
148.05223	1.1
149.02385	1.2
154.02707	1.4
161.04640	1.6
161.06085	3.8
163.03957	1.0
164.04794	4.1
165.05573	23.4
168.04274	0.9
175.07550	0.9
179.07137	12.5
191.07132	2.5
193.05069	1.1
223.09709	1.3
253.05046	1.4
274.06158	1.7
298.12085	1.3
313.14520	2.6
315.12268	2.2
328.12924	1.6
329.13751	1.2
343.15674	5.1
346.14191	8.6
347.14801	2.6
361.16565	90.1
362.16940	7.5
487.17960	2.4
505.71710	1.0
523.21820	100.0
524.22162	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	523.2182
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.20134	0.4
59.01372	0.8
61.98812	1.3
65.38837	0.4
68.49189	0.5
70.29233	0.5
71.01375	1.5
72.96427	0.4
85.02937	0.7
88.01392	0.5
88.98791	1.8
93.03436	1.3
95.92696	0.5
98.19724	0.5
101.02467	0.7
103.54094	0.6
108.02197	0.8
109.02940	3.8
110.59738	0.4
111.77371	0.5
119.05013	0.5
121.02952	12.8
122.03734	12.0
123.04559	2.3
124.01659	1.3
129.03456	1.3
134.03699	0.5
135.04503	2.0
136.05264	1.4
137.02451	2.0
147.04507	5.3
148.05344	0.6
149.06027	0.9
150.03249	0.6
154.02676	1.6
156.05045	0.4
161.04723	0.5
161.06050	1.7
165.05568	23.2
178.06299	0.5
179.07138	8.5
191.07147	0.6
193.05103	0.6
209.08209	0.8
223.09776	1.1
229.73317	0.5
256.94781	0.5
285.11166	0.6
295.55707	0.6
298.11951	0.5
313.14420	1.0
315.12338	2.8
316.12997	0.8
329.27966	0.5
331.15176	0.6
346.14191	9.0
361.16556	100.0
362.16882	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	523.268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.3
61.98821	21.3
62.55745	7.7
69.68562	8.3
71.55193	10.6
89.00961	7.5
123.15503	7.4
157.91202	7.9
220.15935	7.6
279.83078	7.9
308.55542	7.8
450.11102	15.7
465.13718	17.7
508.15189	22.1
513.30115	8.4
520.57013	9.0
523.18085	100.0
534.21021	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	523.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25975	1.0
61.98835	1.8
68.58993	1.0
69.18614	11.3
71.01395	2.1
71.73332	1.0
72.99308	7.9
78.52650	1.0
83.01388	1.5
88.27181	1.0
99.00874	9.9
100.01697	1.7
101.34772	1.1
111.00880	4.3
113.99599	30.6
115.00378	1.2
128.01134	2.5
156.00650	49.6
167.14444	1.1
174.01691	100.0
175.02199	3.3
207.85542	1.2
227.20123	6.0
277.18204	2.2
331.26627	1.6
349.27429	1.5
359.25949	1.3
361.27542	4.3
363.29111	3.0
377.26761	1.4
405.26437	3.4
407.27927	1.3
419.27979	1.3
423.27521	32.5
423.33090	2.3
424.27997	3.6
425.59848	1.1
443.28165	1.1
461.29065	3.1
463.27042	19.2
464.26874	3.1
487.26831	2.2
523.17365	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	523.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77151	0.5
59.01389	0.9
69.22942	4.6
71.01381	0.9
72.99291	2.8
83.01388	1.4
99.00885	4.7
100.01688	0.7
111.00872	2.9
113.98820	0.9
113.99590	13.6
115.00386	0.9
128.01155	1.0
156.00652	14.2
157.01225	0.4
174.01691	100.0
175.02242	3.1
219.10341	0.4
287.03067	0.4
349.27499	1.4
361.27524	1.6
363.29135	0.9
375.25400	0.7
377.26907	0.9
391.28430	0.6
405.26517	1.5
418.08289	0.9
419.28607	0.6
423.27527	13.5
424.27704	1.1
461.10294	1.3
461.28836	0.7
463.27020	9.7
464.27533	0.6
465.13364	0.7
476.12689	2.1
477.12854	0.8
491.14807	1.6
493.13165	0.6
508.15268	1.2
523.17578	5.8
524.17761	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2912
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01860	0.9
57.03444	1.7
58.00569	0.6
59.01381	37.0
59.98504	0.6
59.99242	0.5
60.54679	0.6
61.98827	2.5
64.54515	0.6
66.36024	0.5
69.03445	1.3
71.01383	19.3
72.99302	1.5
73.02948	7.7
75.00883	1.0
83.01384	4.1
83.43645	0.6
85.02950	11.4
86.00058	0.8
87.00880	1.9
89.02447	3.1
95.01379	1.6
98.20744	1.4
99.00893	2.4
99.04525	0.6
101.02450	11.5
113.02463	7.3
115.05546	0.8
119.03460	1.0
125.02424	0.7
127.35934	0.6
129.01982	0.8
161.04514	2.1
165.05565	1.2
187.04118	0.6
230.11990	0.8
301.21713	1.9
303.23270	17.3
304.23563	0.6
319.22943	3.8
371.78082	0.7
437.52325	0.6
463.27014	7.3
481.28040	15.9
482.28461	1.6
523.29102	100.0
524.29333	11.5
531.85883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2912
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01871	0.7
57.03443	1.4
58.00581	0.7
59.01382	35.3
59.98517	0.5
61.98822	0.9
69.03445	1.7
71.01382	17.5
71.09974	0.8
72.99300	1.0
73.02951	7.7
76.65705	0.4
83.01393	3.8
85.02945	8.8
86.00073	0.6
87.00878	1.5
89.02453	3.3
95.01391	1.7
96.96017	0.5
97.02959	0.7
99.00912	2.1
99.04501	0.6
101.02449	9.4
113.02444	7.4
119.03497	0.4
125.02444	0.8
127.02270	0.4
129.01941	0.9
143.03490	0.9
161.04532	1.6
174.05003	0.5
174.13580	0.4
189.89751	0.4
301.21667	1.5
303.23282	16.6
304.23611	1.4
319.22748	4.2
322.88928	0.5
407.80878	0.5
447.86584	0.4
462.36032	0.5
463.27045	6.3
464.26959	0.6
469.34708	0.5
481.28040	14.4
482.28229	1.5
523.29108	100.0
524.29395	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	524.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18320	1.4
59.01373	7.0
61.98530	2.9
61.98832	42.7
63.46436	1.4
70.95369	1.2
71.01380	5.0
75.09550	1.5
85.02923	1.8
88.98823	2.6
89.02477	1.4
96.96021	2.2
98.19843	3.4
101.02457	3.1
113.02412	2.3
121.02905	1.7
123.04562	3.0
124.01559	2.2
125.02434	3.1
134.03735	4.8
149.02470	3.2
163.04053	2.1
168.00604	1.7
179.07129	2.6
193.04985	2.1
194.61757	1.5
214.44525	1.4
269.04636	1.9
283.02484	1.4
284.03128	3.4
297.04056	11.3
298.04822	64.8
299.05127	6.2
308.03101	1.8
313.07144	13.3
326.04382	8.0
341.06665	100.0
342.06989	9.4
353.06290	1.6
371.07703	4.2
391.95520	1.5
461.10901	83.1
462.11240	7.9
524.14990	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	524.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24320	0.3
57.79641	0.4
59.01388	0.3
61.98831	100.0
66.67612	0.3
68.66157	0.3
85.69688	0.3
93.23363	0.4
98.20740	0.8
104.28082	0.3
113.15250	0.3
156.17763	0.3
209.56712	0.4
269.77350	0.4
386.98840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40446	0.2
61.98831	100.0
62.99260	0.2
63.99227	0.2
69.45448	1.2
79.92273	0.1
104.05878	0.1
106.66321	0.2
111.89499	0.1
124.36643	0.1
156.34879	0.2
216.94522	0.2
523.44647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40100	0.4
58.22019	0.4
59.01385	3.1
61.98831	100.0
64.60518	0.4
69.20338	4.0
69.20729	0.9
71.01396	1.4
85.02955	0.5
101.02462	0.6
106.40658	0.4
113.02412	0.7
129.94185	0.5
199.00447	0.4
211.69044	0.4
351.63879	0.4
473.75974	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03237	1.9
56.63573	1.8
60.69414	1.9
61.98830	100.0
64.31268	1.7
70.20169	6.4
81.97448	1.8
90.15960	2.1
132.73543	1.8
162.12067	1.9
383.34299	2.3
506.34692	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	524.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.80771	1.1
70.03788	3.6
70.04198	1.9
88.25990	1.1
90.71281	1.0
92.42501	1.2
98.20554	1.4
243.42372	1.1
479.25610	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.7
60.99306	12.9
61.98829	25.6
67.07326	1.5
71.01378	3.4
71.56521	1.8
73.02917	1.8
85.02962	2.3
87.00869	2.1
88.00369	1.5
88.98809	100.0
89.02443	25.1
97.02918	1.6
113.02449	2.7
115.88697	1.6
119.03468	1.9
123.00877	4.6
137.02396	3.7
138.03267	6.5
142.05026	1.7
149.02374	1.7
150.03238	2.3
153.05573	8.2
165.01866	4.7
165.05542	3.1
167.03488	1.8
175.04091	1.5
179.03523	2.2
180.04308	2.2
181.05055	3.8
195.06606	3.9
210.05556	1.4
273.07648	6.1
303.04889	2.0
408.13400	1.5
416.72174	1.6
435.12958	2.5
436.13153	1.5
471.14291	1.6
506.95535	1.4
525.12750	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	525.1928
Annotation	Kurziflavolactone D
Peak:m/z	Relative Intensity
58.59554	0.8
58.77524	0.9
61.98817	2.2
65.68344	0.8
71.56317	0.9
72.99280	0.8
82.78106	0.9
91.98196	0.8
99.00858	1.0
113.99570	4.0
156.00642	3.7
157.00954	1.0
174.01668	8.3
175.02049	2.9
176.02206	1.4
193.04736	0.8
218.72572	0.8
297.24374	1.1
409.10938	7.5
424.28030	1.4
425.28152	1.7
434.11667	1.6
437.10193	4.0
451.11942	2.6
452.12543	13.1
453.12888	2.3
464.27261	1.6
465.27454	1.6
467.15009	26.8
467.21692	1.3
468.15271	3.3
479.10571	1.0
480.12048	8.2
481.12262	1.0
491.15524	0.9
494.13617	1.4
495.14551	14.1
509.09616	0.9
509.16080	4.1
510.16830	37.5
511.17249	3.9
525.19177	100.0
526.19568	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	525.1918
Annotation	Kurziflavolactone D
Peak:m/z	Relative Intensity
56.81970	0.4
143.31273	0.4
151.81448	0.4
170.14360	0.4
211.04037	0.7
212.04707	0.5
213.18773	0.4
226.06335	0.5
227.07108	1.1
239.03465	0.7
240.04205	0.5
241.05136	0.5
252.04422	0.5
253.04961	0.5
254.05869	0.9
255.06592	0.9
319.43207	0.4
365.11786	0.9
377.11780	0.6
391.09833	0.8
392.10587	0.4
393.11194	0.5
395.09274	0.4
403.09692	0.4
405.11618	0.5
408.13684	0.6
409.10818	6.3
410.10870	0.7
421.10773	1.0
423.12106	0.5
424.13123	0.7
433.10468	0.9
434.11563	1.4
435.12265	1.7
436.13644	0.9
437.10284	2.9
449.14124	0.5
451.11969	1.3
452.12631	12.0
453.13260	2.1
462.10559	0.6
463.11795	1.0
464.12509	1.0
465.09421	0.7
467.14978	24.1
468.15387	2.6
476.12762	0.5
477.13513	1.2
478.14325	1.6
479.15192	4.0
480.12015	6.1
491.14731	0.8
492.15366	0.4
493.16647	1.5
494.13586	0.7
495.14459	12.1
496.14258	1.7
509.16037	3.1
510.10352	1.1
510.16800	28.1
511.17297	3.6
525.19165	100.0
526.19507	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	525.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24335	5.6
59.01388	8.1
59.59896	6.7
60.28201	5.4
60.99314	15.7
63.07763	5.8
70.14889	22.4
71.01385	6.1
85.02932	18.7
87.00857	36.0
88.98814	73.3
98.20581	8.6
102.91394	5.8
115.00359	24.9
157.01439	33.8
159.45631	7.5
175.02469	21.0
186.64899	6.1
199.67987	5.8
277.21713	50.4
435.23868	100.0
436.24203	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	525.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.7
61.98833	100.0
71.01399	0.6
71.45821	0.4
83.01421	0.2
85.02930	0.3
89.02427	0.3
95.93492	0.2
101.02446	0.4
118.51924	0.2
121.35950	0.2
123.04468	0.2
135.04599	0.2
153.05647	0.3
165.05609	0.3
165.12877	0.3
167.03569	0.3
179.03535	0.2
195.41504	0.2
217.06497	0.3
218.17253	0.2
226.32266	0.2
231.55257	0.2
255.06570	0.4
293.13995	0.2
315.08856	0.3
316.79077	0.2
470.25195	0.2
525.18634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
61.98830	100.0
68.45281	0.2
71.01385	0.9
71.33395	0.4
83.01398	0.5
83.28518	0.2
85.02963	0.3
89.02458	0.3
101.02438	0.6
103.89910	0.2
113.02505	0.3
118.82465	0.2
123.04504	0.3
165.05591	0.6
166.05934	0.4
196.44325	0.2
249.49571	0.2
338.80670	0.2
360.59848	0.3
491.62811	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32404	0.3
59.01378	1.0
61.98832	100.0
68.52512	0.4
71.01410	0.4
71.56673	0.5
98.07407	0.3
135.04456	0.4
136.01698	0.4
147.92284	0.3
165.05618	0.4
174.97180	0.5
189.98103	0.3
219.49210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06232	12.8
54.81122	12.5
66.45205	12.2
70.41602	29.8
70.41972	27.5
70.77602	12.8
74.78456	11.7
79.86870	12.6
121.58015	13.3
172.94891	13.8
244.51137	14.1
373.24088	13.7
452.12592	20.0
467.14963	28.9
510.16656	56.4
525.19214	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	526.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39190	1.3
61.98826	31.2
69.30404	14.7
72.99301	4.9
73.84045	1.5
107.01382	5.0
108.02211	1.6
110.34676	1.5
117.48480	1.4
121.02950	2.4
134.38156	1.6
145.78308	1.4
151.00391	14.1
154.77879	1.5
163.00374	2.9
168.64233	2.1
175.00311	1.9
178.99841	4.8
193.05296	1.5
227.03560	2.7
243.02940	6.6
255.02946	14.6
271.02441	34.2
272.02951	2.9
283.02298	1.8
300.02731	70.7
301.03500	57.9
302.03812	3.7
337.81485	1.7
463.08801	100.0
464.09122	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	526.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05801	0.2
59.01379	1.3
61.98831	100.0
63.99267	0.7
71.01385	0.7
71.56599	0.3
75.19751	0.2
83.01388	0.2
83.44240	0.2
84.72184	0.2
89.51659	0.2
101.02448	0.2
103.98554	0.2
113.02442	0.3
116.92892	0.3
138.60512	0.2
151.04124	0.3
206.67130	0.2
289.28568	0.2
306.19183	0.2
329.23380	0.4
349.26538	0.3
398.45895	0.2
527.12158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	19.6
61.10895	1.0
61.98829	2.8
70.10406	4.1
78.95903	12.1
107.15942	0.9
126.36444	0.9
152.99521	1.3
168.04309	3.4
224.06929	6.0
227.20157	100.0
228.20482	5.4
242.07999	1.5
260.39713	1.1
410.10992	1.5
420.73523	0.9
452.27802	61.4
453.13025	2.9
453.28207	5.2
468.15326	3.5
480.15271	1.0
496.14722	1.4
511.16946	4.8
526.19794	24.2
527.19788	2.9
544.33527	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.6
60.99312	15.9
61.98824	4.8
69.27912	1.0
71.01380	1.2
71.56637	1.8
72.30252	1.2
73.05143	1.0
85.02964	1.3
88.00383	2.0
88.98807	100.0
89.02447	35.1
89.02994	1.3
111.25707	1.2
111.78159	1.1
180.05295	1.3
199.54892	1.1
214.81017	1.2
447.81204	1.2
502.07953	1.2
533.52393	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.4
59.01385	6.1
61.98823	1.2
69.19691	1.2
69.20113	2.8
71.01389	4.1
73.02954	0.8
83.05006	0.5
85.02946	0.9
89.02443	3.4
92.75716	0.5
95.01394	0.4
98.19945	0.9
101.02441	4.1
109.06614	0.6
111.08157	7.8
113.02426	1.7
119.03468	1.1
125.02448	0.4
125.09727	0.4
143.03484	0.7
161.04533	1.3
167.10834	2.1
177.12866	1.5
179.10748	2.0
195.13881	5.0
217.40933	0.5
247.20668	1.4
253.09280	16.0
254.09587	0.5
273.18713	1.4
291.19656	100.0
292.20010	7.1
295.61707	0.4
364.27142	0.5
365.45267	0.4
375.08765	0.7
394.87695	0.4
413.62390	0.4
456.61121	0.4
495.14352	0.5
527.17157	3.3
527.28619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14049	0.3
54.09669	0.3
57.03437	1.1
59.01097	0.5
59.01378	6.2
61.98822	1.0
69.80109	0.3
71.01381	4.6
71.56164	0.5
72.99308	0.3
73.02946	0.5
77.87874	0.3
83.01379	0.4
83.05045	0.5
85.02950	1.3
87.00871	0.8
89.02445	3.2
93.03403	0.3
95.05015	0.5
97.06612	0.3
101.02447	4.5
102.26141	0.3
111.08160	5.9
113.02489	2.1
119.03503	0.9
121.10248	0.7
123.08190	0.4
125.02467	0.4
125.09704	1.0
127.11316	0.3
137.09676	0.3
143.03542	0.4
147.65063	0.2
149.09749	0.3
151.11264	0.3
153.12845	0.3
161.04550	1.6
165.12880	0.4
167.10756	1.0
169.12419	0.3
177.12816	1.4
179.05548	0.4
179.10767	1.0
185.11867	1.0
195.13893	4.2
197.11847	0.3
235.08130	0.3
247.20667	2.1
253.09286	16.3
254.09715	0.6
259.29449	0.3
263.20233	1.6
273.18567	2.5
291.19653	100.0
292.19974	5.9
365.07999	0.3
527.16937	0.5
527.28650	3.6
545.20282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19437	0.9
57.03442	1.7
58.61399	0.9
59.01099	1.4
59.01381	22.9
61.98825	9.5
63.71148	0.8
69.27150	8.8
71.01383	13.2
72.99284	1.2
73.02948	20.6
75.00887	1.4
83.01371	4.6
83.80480	0.8
83.95877	0.9
85.02941	3.4
87.00864	2.6
89.02449	3.1
93.44583	0.7
96.96041	0.8
99.00873	1.9
101.02454	18.2
105.03472	2.8
107.05038	15.9
111.00890	1.7
113.02448	3.7
113.99560	5.6
115.00318	2.2
116.92873	1.4
121.02981	5.7
125.02454	1.9
125.24322	0.9
127.03996	1.2
131.03499	2.7
135.04515	4.1
143.03511	2.3
151.03952	1.4
154.99863	5.4
156.00623	4.0
160.01640	2.6
161.02438	13.9
161.06087	1.4
163.06129	1.2
173.00945	5.3
174.01692	62.1
175.02443	2.0
179.03496	100.0
180.03828	2.9
189.01965	7.5
198.48155	0.9
205.05090	1.2
231.02986	1.4
282.08859	1.3
367.10193	1.5
429.21188	1.1
469.20660	2.0
493.22531	1.3
499.12289	1.3
525.71979	1.2
529.13568	5.4
529.20227	2.5
545.90680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.5
59.01379	20.7
61.98834	12.7
62.26397	1.3
69.52818	2.6
69.53238	6.4
71.01385	9.5
72.99303	1.8
73.02959	9.1
74.53394	1.4
83.01392	4.6
85.02962	2.4
87.00868	2.7
89.02449	4.5
99.00892	5.2
99.56223	1.2
101.02435	13.7
107.05035	7.4
111.00861	2.0
113.02453	4.1
113.99555	7.4
115.00362	2.8
116.92884	1.6
117.07117	1.7
119.03525	2.8
124.98835	1.3
125.02411	1.2
131.03500	1.5
154.99850	5.0
156.00638	8.3
161.02461	7.7
161.06065	3.2
173.00870	11.7
174.01685	100.0
175.02148	2.8
179.03482	48.6
179.64410	1.2
180.04025	1.4
189.01953	5.3
205.05020	2.5
228.82326	1.3
469.20523	2.4
529.13330	6.8
529.20819	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	529.3014
Annotation	Crenulatoside A
Peak:m/z	Relative Intensity
51.34623	1.1
55.01874	5.0
57.03439	5.1
58.00589	1.6
59.01382	47.6
61.98826	6.5
62.15075	1.1
66.15907	1.0
68.25974	1.2
69.03457	2.2
71.01382	100.0
72.99312	3.4
73.02950	28.3
75.00874	1.8
81.03447	1.2
83.01389	11.5
85.02956	43.7
85.53516	1.2
86.50596	1.2
87.00897	6.9
87.04512	1.6
89.02444	19.6
95.01398	9.4
96.00118	1.0
97.02918	2.3
99.00883	13.7
100.03438	1.0
101.02446	61.7
103.03987	3.5
111.00875	2.4
113.02449	35.5
115.03997	1.3
119.03525	9.4
121.10229	4.2
125.02433	2.0
129.01888	2.2
131.03517	2.2
143.03491	8.6
143.12457	1.0
151.74046	1.3
159.02983	9.8
161.04556	65.4
163.06119	3.5
171.10280	13.5
179.05669	1.6
187.19923	1.1
205.03471	2.3
205.07120	2.7
215.88348	1.1
231.21474	1.3
253.09344	12.5
258.42120	1.1
267.57715	1.1
275.20123	15.3
291.19803	1.2
293.21219	31.6
294.21591	2.0
305.20963	1.3
383.24380	26.0
384.24863	2.4
529.30176	50.4
530.30292	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	529.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91324	0.4
55.10408	0.4
55.83570	0.3
57.73964	0.3
58.00607	0.5
59.01382	9.4
61.98833	1.3
66.40428	0.3
71.01382	7.3
71.10679	0.9
73.02931	1.1
77.15071	0.3
83.01362	0.6
83.05003	0.5
85.02970	1.9
87.00852	0.9
89.02449	6.3
95.01386	0.7
97.06609	0.4
97.18216	0.3
99.00870	1.0
101.02447	7.9
113.02462	2.7
119.03487	1.5
128.65581	0.4
143.03482	1.0
161.04579	3.6
162.04961	0.4
167.10861	0.4
179.05620	1.3
179.14453	0.6
183.10249	1.7
195.13902	9.8
196.14496	0.8
205.12390	0.6
211.13503	0.7
223.13405	5.9
223.17014	0.5
228.13693	0.7
231.21118	0.4
253.09280	30.1
254.09601	1.4
256.13144	1.1
275.20181	5.5
276.20660	0.6
293.21228	100.0
294.21509	6.7
397.97256	0.4
493.22519	0.4
529.30133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
50.78525	0.7
55.01861	1.1
57.03439	3.5
59.01381	15.8
61.98834	22.9
68.99807	1.0
70.38742	3.1
71.01385	22.4
72.99313	5.8
73.02958	1.3
75.00875	18.5
78.95905	4.6
85.02953	26.1
87.00879	7.7
89.02450	7.1
91.36206	0.7
95.01389	4.8
99.00876	10.8
103.00347	2.7
110.98554	1.1
111.00875	1.1
112.01726	0.9
113.02448	35.4
114.02818	1.3
114.31524	0.7
115.00334	1.6
117.01922	3.5
129.01950	2.7
131.03392	0.9
152.99535	0.9
157.01375	1.1
162.47339	0.9
163.63406	0.7
167.01149	1.1
175.02487	3.5
193.03528	1.2
205.07123	1.8
206.87462	0.8
219.13751	0.7
231.04929	1.1
249.06120	8.5
252.48201	0.8
255.23254	14.4
260.44110	0.8
267.07187	9.6
277.21713	18.6
278.22137	1.5
279.23291	75.7
280.23560	4.8
357.29022	0.7
362.19550	1.2
445.23749	5.8
480.30997	7.8
511.29294	2.7
529.30157	100.0
530.21570	3.7
530.30530	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	530.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	0.3
67.02542	0.3
71.44415	0.6
77.55569	0.3
78.95903	17.3
80.64014	0.3
85.38423	0.5
93.18613	0.3
96.96913	0.4
152.99599	2.8
168.04321	2.3
205.21918	0.4
206.66853	0.4
224.06914	7.9
224.14297	0.3
232.06407	0.3
242.08023	1.3
255.23283	100.0
256.23642	5.5
377.10098	0.4
379.94821	0.4
480.30939	59.8
481.31204	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	531.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60473	2.1
57.03439	7.1
59.01381	100.0
59.01683	5.1
61.98835	29.7
71.01380	36.1
73.02950	14.3
76.07982	2.4
80.70272	2.2
83.01396	5.6
85.02967	16.4
87.00885	14.1
87.04489	2.5
89.02454	29.9
95.01381	3.5
99.04526	6.2
101.02448	27.0
103.04008	23.0
109.02919	2.5
113.02444	18.3
115.00378	7.1
118.31771	2.6
119.03501	13.3
125.02368	2.9
126.56277	2.3
131.03496	7.3
134.03728	8.8
143.03508	10.5
145.04974	2.3
147.04535	31.4
160.01634	3.7
161.04536	9.9
161.06088	8.6
162.03279	2.6
163.04080	3.1
163.06139	15.1
174.01691	18.0
175.02431	9.3
175.03976	5.2
177.05524	4.9
178.02611	4.2
179.05603	4.3
193.05083	12.8
205.07129	7.7
205.12358	4.7
223.13252	4.2
232.80135	2.6
247.08200	7.1
283.11920	2.3
285.04010	5.5
323.09848	4.7
337.09158	2.5
385.18558	2.8
429.17682	56.3
430.18155	2.9
531.27490	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52141	3.1
55.89376	3.0
59.01104	5.5
59.01381	100.0
61.98824	16.8
71.01378	40.6
71.56586	4.4
73.02956	24.1
83.01377	4.6
85.02945	12.4
87.00873	9.5
87.04518	5.4
89.02451	27.7
95.31165	3.3
101.02444	36.9
101.27150	3.2
103.04025	7.3
113.02425	14.5
115.04012	5.2
117.03431	4.7
117.74337	3.8
119.03477	9.9
124.01675	4.4
125.02425	15.3
131.03516	8.4
133.02936	9.6
134.03728	31.7
135.04445	6.5
137.02461	5.4
143.03510	16.0
145.02925	10.7
145.05064	4.9
149.06033	7.7
160.01616	10.6
161.02411	14.4
161.04585	5.7
163.03957	6.3
163.06070	21.9
167.03456	4.7
168.00558	12.8
170.36253	3.6
175.04013	17.4
178.02663	17.4
179.03374	3.7
190.02675	3.4
192.04272	7.2
193.05008	29.4
197.05475	3.3
205.05359	3.4
205.07120	20.7
227.79672	3.0
244.44934	3.0
247.08127	9.9
258.34976	3.1
265.09189	3.5
272.80688	3.4
323.07614	18.6
337.09207	16.7
429.17618	42.7
471.18839	22.1
488.86835	3.9
531.14832	7.7
531.21265	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	531.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00621	2.7
59.01381	27.0
64.34245	2.2
65.69066	2.4
69.36476	18.9
71.01382	30.1
72.99310	2.4
73.02934	11.3
83.01414	3.4
85.02940	12.5
85.24700	2.3
87.00842	5.0
89.02451	6.9
101.02466	19.3
103.04015	5.8
113.02439	14.1
115.04062	2.7
119.05032	4.5
131.03468	3.1
143.03490	7.8
145.02885	3.9
148.05310	100.0
149.05739	3.7
153.30693	2.2
159.27591	2.5
161.04565	30.6
163.04041	3.4
163.07657	71.8
205.07185	4.3
208.09860	2.3
220.72360	2.5
251.07190	2.7
301.27298	2.5
325.12820	4.0
366.21396	2.5
392.75061	2.5
399.64154	3.3
471.18723	65.4
472.18814	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	531.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.7
59.01382	12.8
60.79079	1.4
61.98828	61.6
68.80220	1.7
68.99802	1.7
70.20210	1.6
70.20548	5.3
71.01382	17.5
72.99296	4.7
75.00873	20.4
77.75547	1.5
78.95892	5.5
85.02945	23.2
87.00878	7.5
89.02444	5.3
95.01389	6.4
98.20016	1.7
99.00881	10.3
102.45678	1.4
103.00365	2.9
110.98547	3.7
113.02453	36.6
117.01935	2.6
126.67785	1.8
131.96141	1.4
151.04066	1.4
163.20444	1.5
163.21687	1.6
167.01157	2.1
167.58978	1.9
175.02429	4.2
178.88504	1.7
185.02234	3.0
231.04941	1.7
249.06192	7.6
261.50104	1.5
267.07220	7.4
277.21906	2.0
279.23285	60.6
280.23572	2.7
281.24832	76.7
282.25357	3.8
295.25348	1.9
364.21140	4.0
395.27643	1.6
447.25085	18.3
449.25381	2.5
457.34518	1.8
513.30273	2.1
531.31726	100.0
532.22913	15.2
532.32037	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	532.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
59.01381	6.2
61.98830	100.0
71.01383	2.7
71.56524	0.4
72.99294	0.5
73.02952	0.7
74.02470	0.5
78.25468	0.3
83.01391	0.4
85.02972	1.1
89.02448	1.2
93.03461	0.4
95.01450	0.3
99.00896	0.5
101.02431	1.6
103.04037	0.7
113.02455	0.7
115.00336	0.4
115.05575	0.4
119.03516	0.3
119.05021	0.3
125.02462	0.4
128.03523	0.5
134.03725	0.3
135.04556	0.4
137.02467	0.4
139.93953	0.3
143.03592	0.4
143.04553	1.4
151.00313	0.6
156.93069	0.3
157.81792	0.3
161.02383	0.3
161.04564	0.8
161.05956	0.4
165.05565	0.4
187.04109	0.4
193.05103	1.3
194.05420	0.9
223.06331	0.7
227.03470	0.6
228.03920	0.6
254.07915	0.4
255.03041	0.7
256.03424	1.1
258.77066	0.3
267.06491	0.5
271.05899	0.7
272.08914	0.6
284.03268	1.1
285.03561	2.0
286.04520	0.8
306.07538	1.8
472.09818	0.4
477.47055	0.3
532.11926	0.5
533.13257	0.7
533.29620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
59.01380	12.3
61.92315	0.7
61.98830	100.0
62.85355	0.7
69.12675	0.7
71.01373	5.4
73.02938	1.8
85.02938	3.1
89.02439	1.7
96.50085	0.7
101.02470	4.1
102.45572	0.9
107.55497	0.8
113.02423	3.1
115.05554	4.7
116.05875	1.2
117.07071	1.3
120.92516	0.8
123.04536	1.2
133.06554	2.4
135.04472	0.8
161.02396	0.9
161.04599	1.9
161.06078	2.5
165.05595	6.6
187.03998	6.8
188.04303	1.5
268.59314	0.9
276.26694	0.8
279.15939	0.9
330.03888	0.8
345.19186	1.4
398.03494	0.9
491.24728	3.0
533.30762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.8
61.98831	100.0
68.29205	1.0
71.01387	2.3
71.55943	1.3
83.10640	0.8
128.18468	1.0
131.30724	0.9
153.71617	0.9
155.70348	0.9
161.04610	1.0
171.43806	0.9
210.37933	1.0
313.93765	1.0
532.17371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
61.98833	100.0
70.78467	0.7
70.78841	1.7
78.23537	0.7
78.61695	0.6
78.95905	0.8
83.01408	1.8
87.00898	2.4
99.57870	0.7
112.98819	13.9
142.82285	0.6
142.99960	1.0
154.99886	7.8
162.87134	0.6
196.89551	1.6
204.47443	0.6
245.61667	0.6
277.21729	3.8
279.23306	4.7
289.21744	1.1
433.22446	1.4
445.24094	0.7
447.25168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0941
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
54.18840	2.2
55.93221	1.9
59.01385	26.3
61.98829	14.9
71.01379	14.4
71.34772	2.0
71.56973	3.7
73.02956	4.9
75.00888	2.9
78.95915	2.5
82.23703	2.0
83.01418	2.5
83.05046	2.4
85.02969	5.0
89.02455	9.2
89.20406	2.0
93.03476	2.3
99.00893	4.2
99.04536	2.5
101.02448	10.5
113.02469	4.9
117.03429	2.3
119.03474	2.4
119.05034	2.3
123.04483	4.1
125.02451	3.1
131.03534	2.0
132.02197	3.1
134.03772	8.4
135.00902	2.6
135.02982	7.0
145.02905	3.2
149.02438	5.1
150.03233	15.4
160.01689	11.7
161.02444	3.7
161.04596	3.7
165.05586	12.7
175.02722	2.0
175.04077	12.1
179.05655	2.0
180.04410	2.9
185.06160	3.3
187.04002	2.4
191.03514	3.4
193.05020	7.1
195.06677	11.3
197.76022	2.4
211.04140	2.4
227.03477	27.6
228.04027	2.6
229.05000	8.8
235.06117	7.8
255.02989	59.5
256.03461	4.7
257.04437	5.2
282.08942	2.7
284.03259	74.1
285.04025	100.0
286.04370	4.4
293.10229	2.4
337.09180	13.7
341.10339	3.1
489.10312	45.4
490.10861	4.0
501.10287	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	533.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.6
60.99301	3.4
61.98827	9.6
65.34716	1.8
71.01389	17.8
71.55434	3.3
72.99310	36.3
75.00873	21.1
78.95911	16.9
83.01388	2.6
85.02946	6.5
87.00871	3.0
88.98807	19.1
89.02428	17.0
96.96011	17.2
96.96948	21.4
101.02433	9.5
108.02158	4.6
113.02431	7.4
115.00378	2.8
119.03513	5.8
123.04564	5.1
129.01930	3.4
133.03024	2.4
135.02950	10.4
137.02357	3.4
146.03658	2.9
150.03201	9.1
161.04500	3.8
163.04030	3.2
164.04758	2.6
165.05542	12.5
166.02657	2.6
167.36975	2.0
174.03203	13.9
176.04773	8.2
177.01924	2.9
179.05562	4.9
179.07085	4.9
191.03499	3.1
191.05612	5.1
191.07141	11.3
192.04298	2.4
201.77632	2.4
202.02710	59.2
203.03006	4.7
207.06551	2.3
209.04527	5.0
217.05048	100.0
218.05307	4.2
221.06709	4.2
233.04578	2.6
235.06038	3.6
242.59515	2.3
253.07144	2.9
415.12415	31.9
416.12891	3.6
515.21088	3.4
533.14893	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	533.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22923	0.3
59.01377	0.5
59.53637	0.3
61.98820	1.6
67.35014	0.3
68.99828	2.2
69.21098	0.8
69.21512	2.1
73.02945	1.5
92.78226	0.3
98.19919	0.6
99.00885	2.9
99.72076	0.3
101.02464	0.4
117.96106	0.3
134.03796	0.5
193.05075	0.6
194.92932	0.3
211.55647	0.3
213.05560	15.3
214.05991	0.6
241.05061	42.2
242.05365	2.2
255.06587	2.2
256.07407	83.9
257.07709	4.6
270.08853	0.4
270.82294	0.3
271.09750	100.0
272.10098	5.6
309.07678	0.5
433.15005	23.9
434.15237	2.4
558.70282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01377	1.6
71.01396	1.2
85.02946	8.1
87.00892	3.3
92.92794	0.7
93.03473	2.9
99.04493	0.5
100.98776	0.4
101.02374	0.6
109.02976	0.9
111.04533	0.9
127.04021	2.4
127.23895	0.4
129.01958	1.3
147.02956	0.5
171.02972	0.6
171.10655	0.4
173.04539	1.2
191.05609	100.0
192.05905	2.6
229.44901	0.5
309.12289	0.5
314.33231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48971	0.2
56.81922	0.3
57.03458	0.4
59.01373	1.7
59.01635	0.3
67.01889	0.4
69.03445	0.3
69.48573	2.3
70.37981	0.3
71.01373	1.1
81.03447	0.3
85.02950	7.9
87.00864	2.6
93.03459	2.8
97.87403	0.3
99.04528	0.4
109.02930	0.9
111.00887	0.3
111.04501	1.2
127.04039	1.9
129.01926	1.6
132.40268	0.2
144.47998	0.3
147.02916	0.4
155.03711	0.3
171.03036	0.7
173.04533	1.2
191.05611	100.0
192.06006	2.1
297.83725	0.3
393.37793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01381	37.0
61.98836	1.7
69.03471	0.9
69.80211	0.4
70.08698	0.6
71.01384	17.5
72.99301	1.0
73.02958	7.4
83.01382	2.0
85.02948	8.6
87.00877	4.6
87.04530	1.3
89.02436	4.1
95.01406	0.9
97.02951	0.9
98.19864	1.3
99.00891	1.3
101.02451	11.1
103.04026	2.7
105.74691	0.5
108.02152	0.8
110.00136	1.9
113.02442	9.0
115.00378	1.2
115.04025	1.5
119.03500	1.3
125.02453	4.4
127.04015	0.7
131.03523	2.5
137.99570	3.2
143.03500	5.0
144.24153	0.5
145.05098	0.7
153.01936	91.4
154.02310	2.3
159.03009	1.5
161.04541	13.5
163.06143	1.1
168.04274	100.0
169.04637	3.1
174.01715	4.3
175.02496	3.4
175.03778	0.6
179.03464	0.7
183.06618	78.1
184.06963	2.3
205.07173	3.9
226.86255	0.6
267.08685	0.9
345.11880	6.5
387.12595	0.8
491.17700	34.6
492.17899	2.5
533.18524	2.1
533.25702	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03811	0.7
57.03445	1.0
59.01372	2.4
61.98805	0.7
69.03461	1.4
69.26548	6.3
71.01360	2.6
72.99276	0.8
73.02944	1.6
81.03449	5.2
83.01369	4.7
85.02946	1.8
93.03458	1.2
95.01376	1.6
95.05017	2.3
97.02947	4.0
99.04529	0.9
99.08176	1.5
101.02451	1.0
101.06094	2.1
107.05057	1.1
108.02151	1.0
109.02966	3.4
111.00893	0.9
111.04483	2.2
113.02463	2.1
121.02970	2.5
123.04516	5.5
123.08110	1.0
125.02440	7.5
125.06069	8.9
135.04532	2.1
136.05278	0.9
137.02443	4.8
137.06116	1.3
137.09695	0.9
139.03999	6.7
146.03761	0.8
147.04488	2.5
149.02400	0.9
149.06084	0.8
151.03990	2.4
152.09315	1.0
161.93871	0.7
163.03960	1.1
163.07501	0.8
163.11275	0.9
164.04797	0.8
164.07156	1.7
164.08409	1.5
165.01915	1.7
165.05589	1.9
165.09193	6.2
167.03479	16.2
177.09184	1.6
179.03488	2.1
179.07091	0.8
179.10724	3.3
181.08768	3.5
188.07159	11.6
191.03494	1.2
191.10794	1.3
193.08702	1.1
197.04616	3.6
199.05836	0.7
201.89586	0.8
203.10713	1.3
205.08649	1.9
207.06639	1.8
207.10158	2.0
209.04547	16.0
209.08109	9.2
219.10222	1.7
221.08153	3.5
222.08817	1.2
223.09621	1.2
233.08141	0.9
235.09700	2.8
239.05644	6.3
249.11348	1.7
251.09221	20.0
263.09201	9.4
265.10864	0.9
269.06693	1.6
275.09271	1.6
277.10840	2.0
281.10382	6.0
290.07892	0.9
293.10291	100.0
294.10611	5.3
305.10178	3.6
307.11923	1.1
323.11322	68.1
324.11612	3.2
335.11374	4.7
353.08282	1.6
353.12381	19.1
354.12656	1.5
365.12537	1.4
395.13452	7.4
413.14481	14.1
414.14862	1.1
425.14536	4.8
443.15640	1.9
515.17664	1.6
533.18640	7.9
534.19244	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
56.24590	0.7
57.03458	1.5
57.52925	0.8
58.00590	1.8
59.01382	93.5
61.98833	100.0
68.99570	1.0
69.03469	1.2
69.33114	2.5
69.33549	4.2
71.01384	34.5
72.99329	2.5
73.02953	12.4
75.00887	1.4
75.67289	0.7
82.91873	0.8
83.01385	6.0
85.02949	16.4
87.00880	4.5
87.04479	1.0
89.02453	11.5
95.01394	4.4
97.02973	2.1
98.20596	1.4
99.00886	4.1
101.02451	23.6
103.04015	3.5
111.00871	1.0
112.98569	1.2
113.02447	16.4
115.03996	1.2
119.03516	4.7
121.03019	1.3
122.61456	0.7
123.04611	0.8
125.02445	2.6
125.03468	0.7
127.04066	1.0
131.03526	2.7
138.74609	0.7
143.03471	4.6
156.00734	0.9
159.03011	2.5
161.04552	13.4
161.05882	1.1
163.04013	0.9
163.06181	2.7
165.05618	2.3
165.12874	2.2
165.80127	0.8
187.04028	1.2
205.07191	3.1
211.75002	0.7
255.03101	0.9
264.14481	0.8
279.15997	4.7
297.53790	0.9
304.40579	0.8
327.18268	3.3
345.19156	34.8
346.19559	1.8
368.54767	0.8
387.20316	3.7
439.18280	0.8
473.24155	2.2
491.24966	48.2
492.25421	3.6
503.17426	1.2
533.17639	1.5
533.25977	6.9
533.33527	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	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71135	0.5
55.01883	2.4
57.03453	1.5
58.00593	1.7
59.01381	100.0
60.01720	0.8
61.98831	52.2
68.73004	0.5
68.99586	1.1
69.03446	0.9
71.01385	34.0
71.55981	0.7
72.01734	0.7
72.99319	2.0
73.02948	12.2
75.00884	1.0
79.36942	0.5
81.03503	0.7
83.01392	5.0
84.92858	0.5
85.02950	18.6
86.00108	0.7
87.00886	4.0
87.04527	1.3
89.02444	13.9
95.01381	3.8
95.98075	0.5
97.02985	1.4
99.00871	5.0
100.70390	0.6
101.02446	27.4
103.04005	2.9
112.01695	0.7
112.98579	1.3
113.02454	15.9
113.03244	0.9
115.04050	1.0
117.21269	0.5
119.03506	4.6
121.02909	0.6
121.78127	0.5
123.04527	0.8
125.02422	3.3
127.04054	0.6
131.03511	2.8
137.02510	0.6
143.03505	5.3
149.02480	1.3
155.03581	0.7
159.03024	1.8
161.04549	12.5
161.05853	0.7
162.81985	0.5
163.06123	4.3
165.05569	1.6
165.12863	2.8
179.05687	0.7
193.29291	0.6
203.05612	0.6
205.07109	3.3
221.06859	0.7
269.08185	1.2
279.16068	4.8
285.04147	0.6
327.18173	5.3
345.19153	35.2
346.19440	2.5
387.20099	2.7
473.24374	1.7
491.24979	51.1
492.25226	4.7
503.17432	1.6
523.62512	0.5
533.18201	0.9
533.25446	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	533.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03451	0.9
58.00594	5.1
59.01380	100.0
60.01710	0.6
61.98838	1.4
68.72249	0.4
69.55726	0.9
69.56138	1.7
71.01382	69.5
72.99309	5.2
73.02943	1.8
75.00871	0.8
83.01400	2.5
84.02150	0.4
85.02950	11.2
87.00883	4.3
89.02446	97.9
90.02793	0.8
95.01376	3.8
96.95998	0.5
97.02937	0.4
98.20615	0.9
99.00883	0.7
101.02445	28.1
113.02452	25.2
113.03159	0.4
115.04005	0.4
116.88336	0.4
116.92912	0.4
119.03503	33.3
120.03798	0.5
125.02505	0.8
131.03514	3.9
143.03488	6.0
144.21417	0.5
149.04544	3.4
153.01939	3.2
161.04538	7.9
163.06119	0.8
168.04301	3.6
179.05602	17.0
183.06689	2.8
205.05096	0.5
205.07024	0.5
223.06084	0.5
238.53984	0.4
259.91724	0.4
300.65439	0.4
327.12900	0.6
397.50168	0.4
491.17267	0.9
533.18463	0.5
533.25726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03449	1.8
58.00592	4.5
59.01381	100.0
61.98835	2.4
62.59467	0.4
69.03465	1.1
71.01383	60.5
71.55908	0.7
72.01719	0.6
72.99316	5.5
73.02953	12.8
75.00879	1.0
81.03461	1.1
83.01389	3.7
84.02171	0.5
85.02956	16.9
86.00089	1.2
87.00877	10.5
87.04517	2.0
88.98766	0.5
89.02448	71.5
90.02777	0.9
95.01387	4.2
96.91211	0.4
97.02947	1.3
99.00883	1.9
99.04504	0.9
101.02448	42.1
102.02789	0.6
103.04015	7.7
105.01893	0.7
107.05017	0.6
109.02942	0.5
111.00850	0.6
113.02451	24.3
113.10794	0.4
114.02712	0.4
115.04016	3.8
119.03504	29.9
123.04489	0.6
125.02419	1.3
127.04008	0.8
131.03519	8.8
139.00392	0.7
141.34598	0.5
143.03505	14.2
145.05054	2.8
149.04553	1.7
153.01956	7.2
159.02985	1.1
161.02397	1.0
161.04559	13.7
163.06126	26.5
167.03520	2.0
168.04285	8.8
173.09708	1.0
174.06937	0.5
179.03535	2.6
179.05615	9.0
179.07162	0.8
182.16620	0.4
183.06636	6.8
189.01880	0.5
189.12837	8.6
195.05028	0.6
205.07158	23.0
206.07489	0.5
207.13956	2.3
247.08218	8.9
272.10397	0.4
307.10135	0.8
387.20227	10.2
388.20212	1.2
491.17719	2.5
533.12500	0.7
533.26044	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	533.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
56.74580	0.7
57.03458	1.9
58.00592	4.3
59.01378	100.0
60.01719	0.9
61.98823	3.0
69.03460	1.1
71.01382	52.9
71.56377	0.9
72.99303	5.3
73.02953	11.2
74.26405	0.8
75.00902	1.2
81.03460	1.4
83.01391	4.4
85.02956	19.0
86.00105	1.8
87.00877	9.4
87.04531	2.7
88.98874	0.8
89.02442	63.2
90.02769	0.9
93.12206	0.7
95.01389	3.6
96.96030	1.9
97.02967	1.8
99.00892	2.2
99.04541	1.5
101.02445	42.4
102.02868	1.0
103.03999	8.5
107.05057	1.5
108.02226	0.8
113.02444	22.5
115.04018	2.9
116.92856	1.4
119.03497	28.3
119.04323	1.5
121.03005	1.2
123.04555	1.0
125.02470	2.6
127.04022	1.1
131.03502	8.3
133.01559	0.9
135.04518	0.8
137.99625	1.1
139.00371	0.7
140.25360	0.6
143.03488	14.5
145.05136	3.0
149.04501	1.2
151.04001	0.8
153.01932	17.1
153.03133	1.0
159.03011	1.1
160.73996	0.7
161.02536	3.4
161.04559	14.0
163.06113	25.1
165.05534	0.7
167.03528	4.8
168.04272	19.3
173.09729	1.0
179.03534	16.0
179.05634	8.4
183.06616	18.3
186.68323	0.6
189.02005	1.3
189.12843	9.5
195.03044	1.2
202.90210	0.7
205.07166	23.1
205.08995	1.4
206.07542	0.8
207.13930	1.9
247.08224	9.5
265.09692	0.9
307.10306	0.8
345.12207	2.0
387.20297	9.1
425.14340	0.8
491.17599	7.2
533.18781	0.7
533.25940	13.3
534.26404	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2964
Annotation	fatsicarpain B
Peak:m/z	Relative Intensity
50.60492	1.0
52.56666	0.9
55.01871	1.7
57.00112	0.9
57.03447	3.6
58.00596	1.9
58.55961	0.9
59.01380	57.9
61.98827	10.7
68.37069	0.9
71.01382	36.0
71.05037	1.0
71.84511	0.9
72.99322	3.0
73.02949	10.9
75.00909	1.0
79.59843	0.8
83.01398	6.8
84.71587	0.8
85.02947	15.5
85.03384	1.4
87.00905	3.7
87.04529	1.0
89.02449	12.9
95.01377	4.4
97.02952	1.2
98.19918	2.4
99.00864	5.2
101.02444	22.2
111.00888	1.1
112.02846	0.9
113.02444	14.2
115.00375	1.2
119.03519	4.0
122.62524	0.9
123.04543	4.1
125.02443	10.8
125.09766	2.0
129.02005	2.0
131.03545	1.5
134.03746	1.5
143.03535	3.4
145.02985	1.9
145.09764	1.3
151.00417	2.8
151.75668	0.9
153.01962	1.1
155.10864	1.3
159.02995	2.6
161.02432	2.5
161.04547	6.0
162.03223	32.5
162.04591	1.6
163.03828	1.2
163.06129	2.2
165.05579	3.3
175.04074	1.4
177.05568	38.2
178.05972	1.1
179.05653	1.8
183.13942	2.5
185.11864	0.9
205.07216	1.3
213.64691	0.9
239.07161	0.9
259.06146	4.4
267.06592	1.7
269.04523	5.2
285.04126	3.6
287.05765	4.0
295.06219	3.6
296.79013	1.0
310.08618	1.7
325.10986	1.7
327.18402	1.7
327.25558	1.5
345.19226	4.8
353.23483	1.4
371.24487	1.2
387.20316	2.1
491.24994	15.7
492.25070	1.4
507.15118	1.1
510.19684	1.0
533.16620	3.4
533.29852	100.0
534.30292	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	533.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.02892	0.6
57.03447	2.6
58.00606	1.0
59.01381	26.0
60.98868	0.6
61.98833	7.7
65.53310	0.7
70.19693	2.8
71.01385	21.7
72.99314	2.0
73.02934	6.2
76.97416	0.6
82.49789	0.6
83.01402	4.7
85.02956	12.1
87.00875	2.7
89.02449	9.5
93.74989	0.8
95.01414	2.6
98.19959	1.2
99.00898	3.0
101.02455	13.4
111.00931	1.0
113.02461	8.9
119.03509	1.8
125.02462	1.0
125.09739	1.0
129.01976	1.2
135.03035	1.1
143.03546	0.7
155.10767	0.7
160.01628	0.8
161.04570	1.9
165.05627	1.0
171.13951	0.9
175.04076	0.8
200.54074	0.8
201.14996	0.7
257.04535	1.4
259.86819	0.7
271.06195	0.9
308.89041	0.8
353.23105	0.8
394.29581	0.8
405.31952	0.7
408.12527	0.9
530.25275	0.8
533.29810	100.0
534.30243	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	534.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44979	0.2
59.01382	3.2
61.98830	100.0
70.57498	0.6
71.01389	1.9
72.00917	0.3
72.99317	0.3
73.02951	0.7
83.01392	0.3
85.02968	1.0
87.00893	0.3
89.02460	0.9
96.00925	0.6
101.02423	1.4
105.72104	0.2
113.02477	0.7
119.03516	0.2
124.01636	0.2
134.03795	0.5
134.06157	0.3
135.03001	0.6
139.04076	0.3
143.03474	0.2
145.06612	0.3
147.04524	1.4
149.06097	0.3
155.09923	0.3
157.36760	0.2
161.04593	0.9
164.07135	1.7
167.03613	0.4
175.03973	0.2
188.07178	6.7
293.10345	0.4
294.10739	0.6
323.11469	0.3
324.11942	0.4
354.12329	0.4
369.08252	0.3
373.13162	0.2
488.20795	0.3
493.22968	0.9
534.18018	2.0
535.23755	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.41995	0.2
61.98827	100.0
69.31905	1.0
71.01393	0.7
73.02950	0.3
76.19209	0.1
85.02948	0.2
86.31469	0.2
89.02451	0.6
101.02458	0.5
113.02457	0.3
122.06941	0.1
135.03008	0.9
150.03346	0.1
162.03284	0.2
162.22069	0.1
163.03748	0.2
163.07703	0.2
166.91258	0.1
175.04065	0.3
180.04311	0.6
181.04601	0.2
195.06625	0.6
255.03036	0.2
286.04477	0.2
337.09372	0.3
338.09720	0.3
493.22656	0.2
538.01807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	40.8
68.99812	3.0
71.55569	1.2
73.02940	2.2
92.50737	0.7
99.00874	3.8
192.85004	0.7
193.05270	0.9
206.76328	0.9
213.05576	13.4
214.05898	13.4
241.05067	33.7
242.05386	35.2
242.07866	1.8
243.05592	2.4
255.06505	1.2
256.07410	59.6
257.07748	75.7
258.07980	2.9
271.09756	64.8
272.10095	100.0
273.10431	4.4
295.64655	0.8
378.62387	0.7
416.14633	0.8
433.15152	6.3
434.15344	29.1
435.15778	1.6
450.90308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49878	0.7
59.01379	1.7
61.33091	0.7
61.98831	100.0
69.20621	3.7
69.21047	3.6
74.29756	0.8
77.04034	0.6
83.01389	1.4
84.33191	0.7
87.00887	1.8
111.29898	0.7
112.98812	12.6
142.99878	0.9
154.99878	9.2
168.07890	0.9
279.23346	5.5
291.23288	0.9
363.25372	1.1
385.16397	0.8
391.66000	0.8
435.23703	2.3
501.54865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82553	1.8
59.01381	3.8
61.98834	100.0
69.75670	10.8
78.95909	2.4
87.37905	1.7
97.40412	1.6
98.66527	1.7
103.91850	1.8
105.43250	1.9
108.34615	1.9
112.98849	8.9
115.58076	2.1
154.99841	5.8
162.42209	1.9
162.82990	1.6
175.03883	2.7
196.89325	2.5
279.23291	7.1
281.23865	4.1
291.00845	2.0
449.25641	2.9
466.28146	1.8
508.31473	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	535.14
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.4
61.98816	2.1
70.78299	1.2
75.79753	0.6
76.18851	0.7
78.48711	0.6
78.95901	2.8
80.61633	0.6
91.64545	0.6
106.07854	0.6
132.19353	0.5
152.99559	1.0
155.22922	0.6
166.43155	0.6
225.05553	0.7
254.05757	1.7
279.23206	3.2
280.23636	2.4
292.44992	0.7
375.06885	0.8
379.06030	0.9
387.06668	1.1
389.04266	0.8
402.05362	2.3
403.06140	5.6
404.07120	1.5
415.05975	1.2
417.07767	1.2
418.08441	3.3
419.05399	1.4
430.04349	1.5
431.05524	7.4
432.10681	0.7
433.07263	1.1
434.08054	0.7
441.03876	1.5
445.06601	3.4
446.08258	6.9
456.06296	1.3
457.06931	0.8
459.05313	2.3
460.09766	3.2
461.10605	4.7
462.07175	1.6
463.07947	1.7
474.07355	3.6
475.11908	2.3
476.27557	1.1
477.09732	7.3
477.28256	2.3
489.09702	5.6
490.07361	0.7
492.12006	2.0
504.12271	5.9
505.09470	2.5
520.11603	16.6
521.11847	2.4
535.13983	100.0
536.14301	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	535.164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83231	1.7
52.74781	1.9
54.25403	1.5
54.64151	1.6
58.90504	1.7
59.01361	5.2
61.98838	8.7
68.96420	1.4
71.01383	5.0
71.55572	2.2
71.89713	1.6
72.99323	1.9
78.95904	2.4
83.01379	2.0
84.93869	3.1
87.00846	1.8
96.96002	2.5
99.00881	11.2
99.92587	100.0
100.92590	4.3
100.93359	4.9
115.92075	69.1
116.07676	1.9
116.92828	10.2
123.96255	1.9
124.93365	2.7
138.94949	3.5
152.99539	3.4
157.01393	1.9
166.94405	5.0
195.94698	13.3
196.91856	12.1
210.93340	9.9
228.43967	1.7
240.94548	2.1
249.73119	1.8
277.21732	27.1
291.07477	1.8
377.14087	5.7
378.15106	2.3
393.13687	3.9
397.54688	1.7
401.18002	2.7
403.15610	3.4
435.23972	3.9
445.16968	8.3
447.64758	1.8
517.15216	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	535.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08126	1.4
57.38348	1.2
59.01383	10.8
59.55323	1.3
61.98835	8.1
65.31567	1.4
68.99814	2.8
69.03458	1.6
69.65838	9.1
71.00973	1.2
71.01374	7.2
73.02961	2.8
73.73396	1.5
81.03474	11.8
83.01388	15.0
85.02938	6.5
93.03448	3.4
95.01393	4.6
95.05003	8.7
96.96002	2.8
97.02946	5.5
97.71029	1.3
99.04526	2.6
101.02452	2.4
107.05028	3.4
108.02161	1.5
109.02940	4.4
111.00872	2.7
111.04513	4.9
113.02434	6.0
119.05025	2.5
121.02974	4.7
121.06575	2.5
123.04531	23.7
125.02435	22.9
127.04028	2.2
127.89343	1.6
135.04482	5.9
137.02444	7.4
137.06071	11.4
138.01479	1.5
139.00282	1.7
139.03993	11.8
139.16203	1.4
141.05583	2.9
147.04497	2.1
149.02490	2.8
149.06053	4.4
150.03186	4.1
151.04027	5.1
153.05496	3.8
159.04518	2.0
161.06107	1.7
163.03976	4.9
164.04698	2.9
165.01857	3.9
165.05574	19.6
167.03496	48.0
177.01852	2.0
177.05518	3.9
179.03532	13.0
180.04247	2.0
181.05005	4.1
191.03487	3.1
193.05058	9.5
197.04527	11.6
205.04990	2.2
207.06590	2.9
209.04550	71.9
210.04854	2.9
211.06102	6.9
219.02863	1.6
219.06627	1.4
221.04561	15.6
223.05983	3.2
233.04459	1.8
235.06064	7.6
239.05617	29.7
240.05820	1.9
247.06226	3.3
248.03238	2.4
251.05614	65.8
252.05890	2.8
253.07060	7.1
257.04407	1.8
263.05597	6.6
265.07089	6.2
269.06671	5.7
275.05383	2.0
277.07239	7.6
281.03586	2.6
281.06662	44.7
282.06998	1.7
283.08157	3.4
293.06598	5.1
295.08237	98.4
296.08612	5.1
307.08173	9.1
311.07773	15.5
325.09271	100.0
326.09607	4.8
337.09177	6.2
353.08841	1.7
355.10352	33.1
356.10300	2.3
367.10327	3.5
383.09875	2.3
397.11618	11.9
409.11569	2.4
415.12436	31.3
416.12662	2.3
427.12595	10.3
445.13559	7.9
517.15460	4.7
535.16730	22.7
536.16833	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	535.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79452	1.3
59.01370	6.3
61.98830	15.9
63.45166	1.5
71.01380	6.7
73.02948	2.5
83.01368	1.4
85.02946	5.3
87.00864	2.2
89.02471	2.0
94.17131	1.2
98.19759	3.0
101.02459	5.0
102.88054	1.4
108.02187	16.8
109.02983	4.6
113.02478	1.6
115.00378	2.8
119.05032	3.0
121.02959	3.9
123.04533	13.9
128.51331	1.2
133.02997	1.4
135.04543	5.9
136.01675	63.3
136.05225	1.4
137.02390	4.4
138.03154	1.4
145.02965	4.6
146.03751	1.9
147.04575	2.3
149.02480	3.6
150.03233	6.0
151.04013	52.0
151.05249	2.6
152.04399	1.6
158.72797	1.4
159.04507	3.2
160.05333	2.7
161.04619	3.3
161.06087	5.7
162.03214	1.7
163.03984	6.3
165.05568	2.5
172.05240	2.7
173.06123	3.3
175.02603	2.7
175.04047	5.6
176.04814	1.9
177.05554	4.9
178.02715	1.3
187.04053	1.8
189.05527	6.5
190.06328	6.8
191.07201	4.2
193.05072	4.8
201.05592	1.9
203.07091	1.7
212.08421	2.9
220.91370	1.2
225.05522	2.0
227.07135	5.3
227.10774	15.2
228.11185	1.4
230.59331	1.4
241.05099	2.5
253.05087	5.3
265.05017	2.6
266.05841	2.0
267.06546	2.2
268.07480	1.5
269.04669	7.6
269.07510	1.6
279.06754	2.1
280.07300	3.2
281.04559	15.1
281.08163	4.6
284.06879	7.0
292.07242	1.3
293.08054	2.7
295.06375	2.1
295.09723	3.1
296.07001	14.6
296.10342	2.5
297.07687	2.2
299.09360	4.1
307.06241	1.6
308.10336	1.5
311.09286	16.6
311.18704	2.2
313.10800	2.1
320.06625	1.6
321.07635	2.6
323.08978	1.5
324.10095	4.8
325.10852	2.1
336.09995	2.3
338.11816	2.2
339.12329	4.9
351.12415	3.3
355.11856	2.2
356.12601	4.1
369.13687	1.4
384.12030	1.7
399.14481	15.9
411.14133	2.0
427.11572	3.2
430.14148	2.1
441.13165	2.4
442.14169	3.0
445.16925	1.9
457.12524	2.6
459.14255	2.0
460.15244	2.2
469.16928	2.0
472.15717	2.2
475.17953	24.8
476.17972	2.8
487.18515	28.2
488.18546	1.4
490.16245	2.3
499.17413	3.2
502.16302	13.2
505.18692	55.3
506.18994	5.3
517.18677	100.0
518.18896	12.4
535.15906	2.6
535.35223	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	535.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03441	1.9
59.01380	60.2
61.98830	22.7
63.26297	0.7
64.23637	0.6
71.01383	15.1
72.99301	0.8
73.02958	6.4
75.00861	2.2
83.01379	3.0
85.02956	10.1
87.00880	2.3
89.02433	5.0
93.03464	0.9
95.01397	1.7
97.94889	0.6
99.00877	2.5
101.02444	14.0
106.06625	0.8
111.00892	2.2
113.02467	6.7
117.63504	0.8
119.03471	2.0
119.05022	0.8
123.04494	2.7
123.08150	2.3
125.02443	1.3
129.01942	1.5
135.04547	1.0
145.02959	0.8
149.02464	2.5
150.03191	0.8
159.03009	1.6
161.04530	3.0
161.05898	0.7
163.04001	1.2
164.04768	0.8
165.05438	1.8
167.03491	2.7
195.06528	1.0
205.05138	0.7
223.74915	0.7
227.03464	0.7
251.82700	0.8
255.03111	1.0
277.21768	2.1
284.03342	1.0
285.04034	3.6
295.22821	1.5
326.11633	0.9
355.24991	1.2
367.04605	2.5
439.27203	1.6
457.28152	4.5
475.28879	3.6
493.24670	1.4
501.61902	0.7
503.16873	0.9
505.19101	1.9
517.30725	1.0
535.31287	100.0
536.31592	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	535.3124
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01870	1.5
57.03449	1.2
59.01381	52.6
61.98832	8.5
68.87440	0.6
71.01385	14.9
71.55930	0.7
71.56301	0.8
72.57806	0.6
72.99301	1.0
73.02944	6.1
75.00881	1.0
83.01374	2.0
85.02963	4.9
87.00888	1.4
89.02441	6.1
95.01383	1.7
99.00890	1.5
101.02441	10.3
111.00897	1.1
113.02460	7.4
119.03477	1.8
123.04522	2.6
123.08187	1.3
125.02426	0.8
143.03517	0.7
149.02435	1.0
159.03030	1.4
161.04556	2.7
167.03477	0.7
171.13921	0.7
244.22609	0.6
277.21729	1.3
295.22791	0.7
457.27930	3.1
464.41620	0.6
475.29126	2.9
517.30304	0.8
535.31244	100.0
536.31488	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	536.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.9
61.98829	100.0
69.49377	7.4
71.01385	3.6
73.02966	1.7
75.00886	1.5
85.02934	1.6
89.02446	4.5
89.02936	1.3
101.02432	2.7
110.65928	0.9
113.02398	1.5
117.03450	12.2
119.03524	1.6
123.04541	1.2
125.02467	1.2
129.10358	1.0
131.01387	2.0
135.03001	3.9
173.02454	6.1
175.00354	8.4
198.76802	1.1
212.27333	0.9
249.05557	1.1
254.50653	1.2
269.04501	1.4
281.04504	2.4
293.04547	99.7
294.04861	6.4
311.05533	2.2
323.05710	1.4
353.06714	2.1
413.08734	63.5
414.09250	4.6
416.77585	1.1
428.65921	1.0
473.10919	16.5
474.11053	1.4
477.23282	3.6
491.23163	1.4
536.27985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.5
61.98829	98.1
69.71577	3.7
69.71990	1.6
71.01366	4.6
73.02950	0.9
83.64669	0.7
85.02951	1.8
89.02453	4.3
101.02448	3.1
113.02451	2.1
117.03464	11.7
119.03510	1.6
123.04513	1.0
131.01376	1.5
131.04663	0.7
135.02930	1.4
161.02469	1.5
161.04512	0.8
163.04004	1.7
166.02495	0.7
173.02451	7.0
175.00337	9.4
175.28612	0.7
179.05618	0.8
190.18106	0.7
265.05002	1.0
281.04443	1.7
283.06058	1.3
293.04547	100.0
294.04852	5.9
295.06024	1.4
311.05435	1.8
323.05481	2.5
325.07098	1.0
331.17429	1.3
335.05841	1.1
353.06503	2.0
413.08743	63.2
414.09076	4.7
431.10040	1.2
473.10913	16.3
474.11356	1.8
477.23566	4.0
535.27588	2.3
536.27936	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
61.98830	100.0
69.21731	2.5
71.01393	1.6
73.02935	0.4
85.02959	0.7
89.02441	0.6
95.73228	0.2
98.20650	0.5
101.02444	0.9
113.02496	0.5
123.04547	0.4
126.06872	0.2
137.23961	0.2
155.03874	0.2
161.04482	0.3
237.80437	0.3
259.92300	0.3
290.73190	0.3
483.34268	0.3
491.95059	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.9
60.99311	15.8
61.98829	2.7
69.67736	2.1
69.68137	5.8
70.66181	1.0
71.01380	10.5
73.02939	2.7
73.74489	1.1
73.96657	1.0
78.67992	0.9
83.01385	1.9
85.02959	4.3
88.98811	100.0
89.02453	3.4
89.99123	1.0
98.19907	1.9
101.02456	7.9
113.02424	3.5
119.03471	1.1
125.02457	2.0
135.02072	1.0
151.00354	3.0
161.04532	3.5
167.09250	1.0
202.59225	1.1
214.35709	1.1
227.03571	2.8
229.08667	4.0
255.03049	5.4
284.03290	5.6
285.03784	2.6
331.17596	3.3
391.23190	2.1
447.09360	8.1
448.09280	1.6
477.23474	16.6
478.23654	1.4
537.12390	1.4
537.28168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34273	0.5
53.69313	0.6
55.01878	0.9
57.03436	1.2
59.01379	18.0
61.98830	25.6
62.82611	0.6
63.80591	0.5
69.03456	3.2
71.01383	9.1
71.56304	0.8
71.57001	0.9
72.99307	1.1
73.02948	4.3
76.99670	0.5
81.03469	1.8
81.67741	0.5
83.01391	2.3
85.02957	4.5
87.00888	2.7
87.04503	0.8
88.98779	1.7
89.02451	7.4
93.03458	0.7
95.01368	3.0
97.02949	3.2
99.00887	0.8
101.02444	10.5
103.04016	2.9
107.01402	1.7
108.02188	1.2
109.02927	1.8
113.02459	3.3
115.04022	1.0
119.03519	3.9
121.02953	2.6
123.00894	9.3
123.04561	0.9
124.01671	23.3
125.02457	44.8
126.02783	1.0
126.32569	0.6
131.03487	2.2
133.02943	0.7
135.02965	1.5
135.04558	1.3
137.02444	3.3
139.00394	0.5
139.03984	0.7
143.03505	2.8
145.05049	0.9
149.02466	7.9
149.99585	40.3
150.03177	2.0
151.00378	2.9
153.01920	0.8
157.01440	0.6
161.02461	1.0
161.04504	1.7
163.04018	1.0
163.06122	12.1
164.04813	4.6
165.01839	0.6
165.05492	0.9
167.03560	1.2
168.00647	63.9
169.01411	5.6
175.00354	3.5
179.03471	0.7
179.07074	0.8
190.02715	10.2
191.03383	1.1
193.01492	0.7
205.05026	9.5
205.07114	3.8
223.06126	3.3
247.08246	3.8
294.05164	0.7
313.05594	4.2
331.06693	16.0
331.17642	1.1
332.07175	0.8
333.49414	0.7
367.10281	2.2
477.23529	3.5
507.19754	1.1
519.11249	1.4
537.12469	100.0
538.12750	10.5
538.20563	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1553
Annotation	Volucrin
Peak:m/z	Relative Intensity
59.01387	3.0
61.98827	2.0
70.18352	2.6
70.18745	2.6
75.00869	2.3
76.75371	1.2
92.43955	1.4
200.78317	1.5
211.03912	3.1
213.83064	1.4
234.68167	1.2
241.05139	3.0
247.60867	1.2
255.06552	1.6
276.04294	4.0
277.04984	1.5
278.05817	1.7
296.78653	1.5
331.07736	2.5
332.08197	2.4
344.08725	1.5
359.07025	7.9
360.07843	35.6
361.08426	5.2
373.08606	1.6
375.10339	10.2
386.05869	2.2
387.06598	7.8
388.07382	30.9
389.07947	7.1
390.09042	2.0
391.09824	3.5
393.07605	2.7
399.06631	2.7
401.08102	2.0
402.09088	4.4
403.09747	80.6
404.10547	8.9
405.07837	3.2
414.09332	1.8
415.05695	2.7
416.06882	3.9
418.12692	6.8
419.09259	5.6
420.09970	2.6
421.07001	3.7
428.06622	1.8
429.07199	3.1
429.11624	5.0
430.08398	11.4
431.09207	44.7
432.10165	6.8
433.11020	4.7
434.11722	2.2
444.10635	2.1
445.10910	12.5
446.11615	88.4
447.08429	5.8
447.12238	7.2
448.09299	2.3
449.14197	2.2
457.07050	2.0
458.08240	4.4
459.08304	2.5
461.14066	95.6
462.11325	5.2
462.14377	7.2
463.11938	8.4
464.08878	7.2
471.08740	3.0
472.09775	1.7
473.10349	18.6
474.11075	4.2
475.08038	1.6
476.13300	2.0
477.13351	26.1
478.13794	4.6
479.11365	13.1
487.11612	7.0
488.12689	3.6
489.13751	3.8
490.10416	15.0
491.11136	9.6
492.07932	6.1
504.12018	9.3
505.12946	65.0
506.13428	13.6
507.11212	6.3
522.13196	21.6
523.13757	3.1
537.15607	100.0
538.15985	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	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
55.38482	0.4
57.03435	0.5
58.00586	1.7
59.01065	0.7
59.01381	46.0
61.98832	100.0
69.30946	3.4
69.31351	1.4
71.01382	27.7
72.99322	1.8
73.02954	1.4
83.01414	0.9
85.02955	5.6
87.00877	2.4
89.02446	44.9
90.02788	0.4
95.01394	1.7
98.19975	0.9
101.02448	15.0
113.02460	11.4
119.03503	16.0
121.03002	1.0
122.03814	0.6
131.03523	1.4
133.02975	1.2
134.03754	1.1
135.04547	1.6
136.01746	0.6
143.03514	2.6
145.02945	4.0
145.89619	0.6
146.03740	18.2
147.04482	1.7
149.02467	2.0
149.04567	1.7
150.03232	4.6
161.02448	3.5
161.04588	2.8
161.06123	5.6
162.03229	38.4
163.06145	0.6
164.04791	12.7
165.05576	5.4
167.03539	0.7
177.05565	33.8
178.05989	1.1
179.05627	6.1
179.07182	22.7
180.04295	1.4
184.33496	0.5
195.06645	6.1
298.93915	0.6
327.12445	1.8
334.76437	0.5
357.12064	0.8
428.51480	0.6
537.17480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94468	1.5
55.01863	2.0
58.00591	2.3
59.01380	67.8
61.62127	1.6
61.98838	12.7
71.00996	3.7
71.01382	54.1
71.32954	2.5
72.99312	5.0
73.02939	9.9
74.43793	1.6
75.00848	2.9
75.05708	1.5
83.01382	4.6
85.02951	16.0
87.00878	4.6
89.02446	61.9
91.58277	1.5
93.03490	3.8
95.01407	5.0
96.96005	6.4
99.00925	2.2
101.02444	34.7
103.04021	2.3
108.02137	3.4
108.70491	1.8
113.02460	23.5
119.03509	23.8
121.02966	7.2
122.03761	11.5
131.03485	3.4
134.03711	1.7
135.04646	1.7
136.01616	1.6
143.03529	9.8
146.03764	1.6
149.02435	55.8
149.04434	3.3
150.03223	93.6
151.03694	2.6
161.04593	13.0
162.03200	3.3
163.06151	9.4
164.04826	13.3
165.05573	96.4
166.05925	2.3
179.05627	20.7
179.07057	3.4
180.04295	4.7
195.06621	51.1
195.08327	3.4
205.07135	5.1
247.08286	2.9
283.09808	3.1
312.10046	15.6
315.07321	3.1
327.12369	100.0
328.12738	5.8
375.14212	3.7
387.12775	1.5
489.17691	10.7
530.05811	2.2
537.19843	24.3
538.20758	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.9
58.00581	5.2
59.01379	95.5
60.01676	1.9
61.98831	18.1
63.10390	1.6
64.97668	1.7
69.99103	3.7
69.99501	3.0
71.01383	61.7
72.99295	3.2
73.02953	3.3
79.12331	1.7
83.01373	3.2
85.02943	11.9
87.00868	5.3
89.02446	98.4
93.03441	4.8
95.01388	4.3
98.20567	2.0
101.02452	36.3
113.02444	24.9
119.03503	36.7
120.87952	1.8
121.02944	5.6
122.03735	12.9
125.02412	1.7
131.03503	4.5
133.02960	3.4
135.04454	2.0
136.01672	1.9
143.03471	7.4
145.02933	7.1
146.03743	28.4
147.04562	3.1
149.02454	25.8
149.04533	4.7
150.03227	92.2
161.02414	6.7
161.04527	9.6
161.06065	6.6
162.01933	3.1
162.03229	49.0
163.03778	3.8
164.04807	24.7
165.05562	100.0
166.05875	4.4
177.05573	47.0
178.05739	2.3
179.05574	20.2
179.07115	29.4
180.04268	10.1
195.06628	74.9
196.06960	3.7
224.22519	2.1
312.09991	3.4
327.12344	26.1
383.57745	1.9
384.83276	1.8
396.11484	1.6
424.77948	1.8
489.17905	6.0
537.20020	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46529	0.4
59.01364	1.7
61.98829	3.8
64.22420	0.3
64.45573	0.3
69.18810	0.4
69.19143	4.2
71.01385	0.9
73.02916	0.4
79.44836	0.4
85.02928	0.4
89.03986	0.8
93.03437	1.0
101.02448	0.8
105.03484	1.0
109.02964	0.9
112.30138	0.3
117.03465	2.9
117.07049	0.5
119.05020	1.3
121.02972	3.0
122.03742	1.0
123.04536	0.6
123.12357	0.4
132.02173	13.2
133.02968	9.4
133.06596	0.5
134.03746	41.9
135.04532	19.9
136.01651	0.7
136.04854	0.7
137.02438	7.2
139.04036	1.9
147.04510	3.1
148.05309	2.2
149.06102	3.8
150.03201	0.7
155.03824	0.4
159.04533	0.4
160.01659	43.6
161.02444	12.7
161.06071	2.1
162.02902	0.5
162.06705	0.5
163.04007	0.6
165.05536	1.7
169.91490	0.4
173.06099	0.4
175.03996	34.8
176.04390	1.0
176.48274	0.4
177.01947	0.6
178.02696	4.3
179.03494	14.3
179.07138	0.4
180.22075	0.4
188.66245	0.4
191.07124	0.5
192.04265	0.4
193.05058	19.4
194.05327	0.6
205.05009	0.4
207.06602	3.1
249.07692	4.0
250.07610	0.4
254.70860	0.4
259.44888	0.4
263.09201	0.6
274.52167	0.4
328.13245	0.6
329.13913	1.2
331.06497	0.5
343.15451	1.0
343.45520	0.4
355.11798	0.5
491.17270	0.6
522.18945	2.8
537.21271	100.0
538.21625	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	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	9.4
59.01380	100.0
59.15099	2.5
61.98829	42.2
71.01383	38.7
73.02955	13.2
80.83146	2.4
83.01379	5.5
85.02935	16.7
89.02444	10.6
99.00905	4.8
99.04459	5.5
101.02444	29.0
103.04006	2.9
113.02462	15.3
119.03450	4.3
119.05044	3.4
121.02853	2.5
125.02402	5.9
134.03741	3.1
137.09755	2.5
143.03430	3.7
149.02473	3.1
151.03983	3.1
159.02904	2.9
159.41261	2.2
161.04539	9.5
163.04001	3.1
165.05476	2.9
167.03490	2.8
193.05098	5.9
289.16565	16.9
327.12338	2.7
331.17465	5.1
375.27466	4.8
433.61411	2.7
435.22366	49.2
436.22455	4.7
449.27371	3.9
451.40982	2.9
477.23431	37.5
537.19574	4.1
537.32849	53.0
538.31635	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	537.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95520	0.3
57.65493	0.4
59.01388	2.0
61.98836	3.0
66.80180	0.3
71.01376	1.4
72.10393	0.3
72.99310	2.5
73.02959	0.5
75.00873	100.0
75.11053	0.3
76.01215	0.8
85.02975	1.0
87.00826	0.4
89.02441	0.5
101.02449	1.1
113.02471	1.0
121.02984	0.4
122.06081	0.5
123.04546	0.5
132.02158	1.4
133.02936	1.3
134.03757	4.3
135.04558	1.8
137.02454	0.7
143.10828	0.4
145.02919	0.6
152.07210	1.2
160.01662	4.9
161.02473	1.6
161.04523	0.5
175.03983	3.5
179.03522	1.3
193.05038	1.6
200.03853	0.3
207.06610	0.4
287.22351	1.3
298.15723	0.4
311.87512	0.4
315.17926	0.6
461.24094	2.0
537.21503	9.1
537.30231	1.2
538.21954	2.4
558.28925	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70051	3.8
57.03444	5.0
58.00595	6.1
59.01378	100.0
60.01710	5.0
61.98826	22.1
67.44720	3.7
69.42536	25.5
69.62170	3.3
71.01389	41.7
73.02599	3.3
73.02946	19.8
73.31027	2.9
75.00877	3.0
79.88280	3.5
81.03396	3.6
83.01413	7.1
84.08871	3.0
84.95116	7.6
85.02946	20.0
85.76375	3.0
87.00886	14.6
89.02435	39.4
98.19968	7.0
101.02438	48.4
103.04008	17.0
113.02432	18.6
115.04001	8.2
119.03516	30.4
125.02454	12.8
125.86636	3.2
126.43887	3.3
131.03511	11.1
135.04605	3.3
137.02446	11.3
143.03517	17.3
145.05078	5.9
149.02425	5.2
157.80783	3.1
161.04538	10.9
163.06134	59.2
179.05640	5.0
205.07146	34.6
229.08696	5.1
247.08232	33.2
253.05133	12.0
255.06685	4.2
275.06860	3.5
331.17563	9.9
435.13034	5.3
477.23389	34.4
495.23318	4.4
537.21112	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	537.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22981	2.4
57.03435	4.3
58.00601	2.8
59.01384	46.6
61.98829	27.4
64.86797	2.4
66.32384	2.5
69.60552	15.2
71.01391	46.0
73.02958	14.6
76.94235	2.4
81.03448	6.7
83.01400	6.4
85.02961	29.5
87.00884	6.8
87.04523	4.1
89.02462	21.1
95.01381	5.1
99.00901	3.8
101.02457	35.6
103.04024	4.0
112.59865	2.5
112.96223	2.5
113.02455	22.0
115.04010	2.7
119.03511	6.6
123.04523	30.1
125.02460	3.0
131.03508	3.8
143.03467	4.5
159.03075	4.9
159.22238	2.5
161.04587	20.1
163.06100	12.7
205.07179	7.2
229.08694	44.8
247.08247	4.0
299.15155	2.9
331.17609	17.1
477.23422	100.0
478.23853	7.4
537.19836	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	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23286	2.5
57.03440	5.1
58.00571	2.8
58.82045	2.7
59.01104	3.9
59.01381	62.2
61.98835	26.3
69.49087	12.7
69.49503	8.9
71.01384	55.2
72.99294	4.4
73.02941	14.9
78.06696	3.4
80.27591	3.3
83.01399	9.6
85.02951	21.0
87.00879	7.3
88.98812	3.3
89.02447	30.9
95.01404	2.8
97.03006	3.8
99.00879	9.7
101.02448	36.2
103.04013	6.4
113.02446	25.7
119.03516	9.8
133.02948	4.4
141.41747	3.0
143.03514	3.8
149.02470	3.1
150.03194	6.3
151.04025	3.5
158.61862	3.2
159.02975	2.7
161.02406	5.6
161.04579	21.5
163.06093	4.9
165.05592	15.6
179.05606	6.0
195.06500	3.6
205.05148	3.9
218.14775	3.0
331.17532	22.0
477.23401	100.0
478.23758	11.1
538.16467	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	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42276	1.7
52.02092	1.7
59.01384	21.0
61.98843	3.5
69.30208	17.9
71.01387	39.3
73.02953	12.2
73.13852	1.8
82.98322	1.9
83.01400	3.9
85.02951	18.5
89.02454	5.7
95.01378	2.4
99.00883	4.1
101.02447	26.6
103.04042	3.5
113.02441	16.3
137.20923	1.8
143.03555	2.5
151.00375	2.1
159.02969	2.6
161.04555	15.3
229.05093	7.6
249.63155	2.2
331.17639	13.2
477.23419	100.0
478.23856	6.8
537.16132	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.7
55.72148	3.3
58.03270	3.5
59.01103	5.9
59.01381	85.8
61.98824	39.3
69.34927	32.7
70.57839	3.4
71.01383	65.6
71.15516	3.6
72.99328	4.2
73.02940	29.2
78.57217	3.2
83.01389	7.4
85.02944	27.4
87.00877	14.0
89.02446	29.4
95.01394	4.3
98.70326	3.1
99.00866	6.8
101.02446	50.2
103.04028	8.6
104.35019	3.7
104.91267	3.6
113.02450	22.5
115.04004	4.3
119.03490	16.1
123.04533	3.9
125.02400	5.6
131.03500	13.4
139.86223	3.4
143.03528	10.0
145.05003	4.7
161.04582	22.8
163.06140	17.7
175.03963	3.7
179.05595	4.5
205.07167	15.7
209.20972	3.1
211.19603	3.3
221.06676	9.4
247.08228	5.0
289.27209	3.7
331.17676	33.9
337.41110	3.4
477.23428	100.0
478.23782	10.9
537.33026	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	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42309	3.6
57.03448	6.5
57.54905	4.2
59.01381	100.0
59.26532	4.4
60.01702	3.5
60.97503	4.1
61.98834	87.7
68.71407	3.9
69.54897	28.4
71.01379	60.4
72.99332	5.2
73.02967	23.9
83.01377	5.6
85.02952	27.9
87.00883	12.3
89.02454	38.2
93.03468	36.1
95.01411	6.0
97.02954	4.6
99.00911	7.0
101.02452	50.9
107.71871	4.3
113.02426	31.0
116.92838	12.8
119.03475	7.9
121.02875	5.2
123.04523	7.4
125.02454	18.5
131.03520	6.8
137.02444	62.2
143.03522	11.9
148.16714	4.0
151.04005	19.7
159.02974	7.9
161.04594	19.4
163.06149	9.8
165.05583	5.2
179.05638	7.2
181.05188	4.2
195.06639	5.4
205.07100	7.0
213.14999	8.6
218.35081	4.8
221.06677	4.9
331.17633	21.7
341.10934	5.6
357.26266	4.9
375.27524	8.1
435.22385	22.1
477.23398	49.7
537.32928	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80450	0.6
53.69425	0.6
54.42085	0.6
55.69607	0.6
55.93205	0.6
59.01371	2.6
61.98830	65.8
64.38798	0.7
69.27974	1.1
69.28380	4.5
78.95901	21.8
82.64082	0.5
82.64642	0.5
99.39861	0.5
116.44124	0.6
126.21643	0.5
134.99443	0.5
140.01164	5.3
147.46843	0.6
152.99561	1.6
196.03783	9.6
214.04860	1.2
241.21703	10.9
242.21912	0.7
253.09172	0.8
255.23286	100.0
256.23566	6.2
281.24722	1.2
340.20972	0.8
452.27798	48.9
453.27921	4.3
458.59641	0.6
537.25562	22.7
538.25928	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	537.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11713	40.0
59.01375	74.4
61.98820	100.0
71.55560	67.0
111.13235	46.6
112.19800	46.2
115.03532	41.1
202.35043	43.0
214.37857	51.3
254.05919	58.4
269.08188	49.6
321.69037	48.1
342.64618	59.5
522.12866	75.5
537.15533	88.1
537.32428	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02824	1.4
59.01384	15.5
61.98836	8.1
63.86158	1.4
69.23345	4.1
69.23766	10.5
71.01383	4.4
71.85577	1.7
78.95902	3.7
89.02435	4.7
101.02448	3.8
121.54553	1.7
152.99532	1.8
190.23854	1.8
201.04274	1.4
235.08211	2.5
241.21727	100.0
242.22014	6.4
253.09286	14.9
279.23343	1.4
281.24887	1.5
378.25558	1.6
452.27966	2.2
469.69928	1.6
474.51804	1.5
537.31940	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	538.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.3
59.01382	19.5
61.98832	87.4
67.33294	1.1
67.57878	1.3
71.01391	10.4
71.13499	1.3
71.23213	1.3
71.69979	1.3
72.99342	1.5
73.02940	4.2
73.42699	1.3
75.43777	1.3
79.67291	1.3
83.01380	2.3
85.02954	5.1
87.00883	1.6
88.98801	3.6
89.02431	4.5
93.03466	13.7
101.02456	8.5
103.01913	2.3
113.02420	5.3
119.03563	2.4
119.05032	45.8
120.05396	1.4
123.04610	1.3
131.01398	13.0
137.11449	1.5
143.03508	1.7
145.02864	1.7
161.04515	2.0
163.03987	2.6
163.06117	1.6
170.25253	1.3
175.00363	63.1
176.00650	2.6
189.01955	2.9
201.01868	2.2
249.04042	1.3
269.04791	1.2
295.06100	100.0
296.06400	7.6
332.17743	2.4
349.18744	2.8
350.19107	2.5
357.20111	1.3
415.10355	28.1
475.12689	2.6
477.23615	2.8
478.23532	4.8
495.24509	3.3
496.24753	3.8
538.33673	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	538.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
60.01722	0.3
61.98831	100.0
62.04821	0.2
69.49001	1.6
71.01379	2.8
72.01729	0.3
72.99329	0.2
85.02964	0.6
89.02438	4.4
90.02782	0.8
98.19869	0.3
99.92231	0.2
101.02438	1.6
113.02459	0.9
119.03510	2.0
120.67884	0.2
129.58781	0.2
143.03517	0.3
145.02995	0.4
146.03780	1.4
147.04141	0.5
150.03261	0.4
161.02432	0.4
161.06181	0.6
162.03233	2.9
162.06418	0.3
163.03540	1.3
164.04817	1.1
165.05450	0.8
177.05585	3.0
178.05875	1.1
179.05693	0.5
179.07164	1.7
180.07549	1.0
190.92151	0.2
195.06665	0.6
203.88814	0.3
229.69521	0.2
280.03268	0.2
357.62210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07155	0.3
57.13890	0.3
61.98830	100.0
89.97712	0.4
98.20753	0.7
102.63162	0.4
113.52799	0.3
150.60701	0.3
152.92924	0.4
204.36012	0.3
228.52316	0.4
241.05093	0.5
256.07526	0.7
271.09955	0.7
274.40457	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.5
59.01103	2.2
59.01382	33.8
62.53400	1.3
70.70496	3.1
71.01384	31.6
72.99294	1.4
73.02956	3.3
80.22335	1.5
85.02946	4.6
87.00886	8.2
89.02447	42.4
92.92802	20.6
94.92521	16.4
96.92204	3.3
99.00910	1.2
101.02441	23.4
108.90207	2.5
113.02460	16.2
119.03502	9.5
120.23368	1.2
123.09515	1.3
125.02502	2.2
131.03430	1.7
135.03018	2.4
143.03535	3.4
149.04526	2.5
152.88402	1.9
161.04546	9.2
179.05615	44.1
184.33543	1.3
189.67442	1.2
190.87915	1.2
191.05571	3.2
210.84206	2.2
220.11169	1.3
221.06683	26.3
223.19374	1.6
245.78554	1.3
263.07715	1.3
270.79742	2.6
272.79437	1.6
281.08838	2.0
323.09906	3.9
341.10886	7.6
377.08545	20.0
383.12082	2.0
503.16183	100.0
504.16595	5.3
535.04425	1.3
539.13849	48.6
540.14441	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	539.171
Annotation	Hydroxyxanthorrone
Peak:m/z	Relative Intensity
52.59428	1.7
59.01369	4.6
60.60551	2.0
61.98839	15.0
71.01395	2.6
71.56100	2.8
87.38367	2.2
101.52612	1.7
103.40971	1.9
157.23210	2.0
161.06032	2.4
165.05635	2.6
175.73419	1.7
211.04005	2.9
226.02678	2.7
239.03580	4.1
240.04266	5.8
241.05113	3.1
245.91667	1.7
246.74306	1.7
252.04193	2.2
254.05829	5.5
269.08231	5.0
280.53964	1.9
388.02600	2.0
405.07733	1.9
418.08286	2.4
419.09116	3.3
434.07959	4.5
435.08792	6.0
449.10278	5.2
463.08255	2.1
477.09552	2.9
478.10602	15.2
491.11700	2.8
492.12158	5.0
493.12924	21.5
494.13028	2.7
509.12225	2.4
524.14856	10.3
539.17151	100.0
540.17755	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	539.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06273	1.4
57.63697	1.3
59.01370	1.9
59.84014	1.5
61.98841	7.5
67.56931	1.6
71.18407	2.2
71.73968	1.4
125.70414	1.3
138.94261	1.4
165.05562	5.1
166.05888	2.6
174.01717	1.4
184.60229	1.4
188.55847	2.2
193.69957	1.5
211.04153	2.3
212.27400	1.6
227.31789	1.7
330.05444	1.5
337.28549	1.4
349.96313	1.3
365.37231	1.4
379.09433	2.1
406.08170	2.3
423.08838	3.1
434.07962	5.5
435.08380	4.0
449.10178	4.1
451.08130	2.2
462.07550	4.2
466.10495	6.2
467.11365	1.8
476.08890	1.7
477.09625	14.6
478.10577	9.4
481.12869	10.8
483.18478	2.3
491.11057	3.6
492.12106	25.7
493.12808	11.4
507.14526	19.9
509.12402	5.0
524.14777	22.4
525.14709	2.0
539.17126	100.0
540.17395	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	539.171
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39927	0.4
69.20876	5.0
91.23138	0.5
92.68671	0.6
110.64703	0.5
138.94011	0.6
197.02501	0.6
211.03947	1.3
212.04791	2.5
213.05409	1.0
213.07471	0.5
227.03493	0.5
239.03494	1.0
240.04260	4.0
241.05048	1.8
242.05792	0.9
253.05133	1.3
254.05916	1.4
255.06590	0.8
269.07956	0.6
389.08194	0.9
390.08987	0.8
395.09286	2.0
405.07205	1.0
405.11862	0.7
406.08438	0.8
417.07526	0.7
418.08493	0.6
419.09222	1.1
421.10690	1.2
423.08679	7.5
424.08948	1.2
433.10858	1.6
437.10110	1.2
438.10938	2.2
448.13483	0.7
449.09769	1.5
451.08041	2.9
460.09125	0.5
463.11853	0.8
465.09207	1.3
466.10495	8.8
467.11209	0.8
478.10464	0.6
479.07550	1.2
481.12921	21.6
482.13498	2.6
491.11380	1.5
492.12219	1.3
493.12909	1.5
494.10083	10.7
505.12427	0.7
507.14301	2.8
509.12332	11.0
510.12814	1.0
523.13763	2.4
524.14746	38.5
525.15002	4.4
539.17108	100.0
540.17468	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	539.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	6.5
70.93331	1.9
80.24354	0.7
175.02414	0.8
210.03098	0.9
225.34358	0.8
239.03474	1.4
240.04376	1.2
253.05058	2.4
254.05771	2.5
255.06618	2.1
269.08047	0.8
372.06436	2.1
407.09625	0.8
416.26724	0.7
419.09515	0.8
421.10989	1.2
429.43466	0.7
433.07184	1.0
447.08572	0.8
448.09219	1.3
449.10129	1.3
451.08408	2.1
453.13492	1.7
461.06229	0.9
465.09528	1.2
466.10358	1.4
468.15671	1.0
476.09103	1.9
477.09622	2.0
479.07266	1.0
481.12894	7.4
482.13528	1.5
483.18115	2.2
490.10904	1.0
491.11475	3.7
492.12112	2.1
494.09991	6.5
505.13116	4.4
506.13525	1.9
507.14310	2.9
508.11581	1.9
509.12427	10.4
511.17838	0.9
523.14056	4.8
524.14771	19.7
525.15149	2.7
539.17145	100.0
540.17389	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	539.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04860	0.5
59.01370	0.9
61.98829	14.3
70.11591	2.3
93.18156	0.5
97.68363	0.5
120.14749	0.5
123.48059	0.5
192.97418	0.5
196.83942	0.5
211.92882	0.6
292.28171	0.6
376.07425	2.4
377.08121	7.3
378.08835	4.0
379.09561	0.7
389.08194	0.6
391.09866	1.2
393.11349	0.8
394.12427	0.6
395.08936	0.8
403.09659	0.6
405.07471	2.6
406.08243	1.4
406.12720	1.0
407.08829	1.0
410.11508	2.8
411.12503	2.6
419.09232	17.9
420.09982	14.9
421.10620	12.8
421.15576	0.9
422.11151	2.3
423.08701	1.1
425.13757	1.0
433.11096	0.6
434.11612	18.0
435.12360	17.5
436.13000	4.9
438.11188	2.9
439.11880	1.6
449.13974	27.1
450.14490	3.8
451.15488	1.1
452.16788	0.7
453.13467	25.8
454.14072	7.6
455.14499	0.6
465.13321	0.7
468.15738	38.9
469.16278	8.7
470.16641	0.7
481.13248	2.0
483.18140	64.8
484.18347	7.9
496.15146	1.7
511.17688	11.3
512.18024	1.2
524.14709	2.0
539.17108	100.0
540.17389	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	539.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32882	0.5
61.98830	2.2
64.87986	0.6
70.84395	0.5
103.47234	0.5
113.88529	0.6
172.30994	0.5
179.12668	0.6
210.03165	0.8
211.04057	2.1
239.03452	5.4
240.04243	4.9
241.05176	0.9
253.05055	2.9
254.05789	6.9
255.06599	4.1
269.08194	4.0
372.06396	2.2
379.09296	0.7
407.09348	1.2
419.09155	1.1
423.08661	1.0
434.07745	1.5
435.08743	1.4
445.06879	0.9
447.08694	0.9
448.09161	1.4
449.10156	1.5
451.08365	2.1
459.08771	0.8
461.06757	1.4
462.07492	1.7
465.09491	1.1
466.10464	1.9
476.08856	1.4
477.09625	3.3
478.10706	3.1
479.07437	0.8
481.12860	5.7
483.18307	0.9
491.11493	3.4
492.11966	2.8
493.13510	3.6
494.10117	5.1
505.12885	2.6
506.13574	1.0
507.14423	2.1
508.11603	1.5
509.12390	8.2
510.13071	0.9
523.14252	2.9
524.14783	16.0
525.15118	1.9
539.17114	100.0
540.17468	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	539.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73314	24.6
57.48453	23.7
59.01373	97.0
61.98826	44.5
71.01371	79.8
74.87038	25.7
100.13300	30.0
101.02435	57.2
174.30551	30.2
185.55383	26.9
256.63687	34.9
461.23798	100.0
503.24805	93.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69972	30.9
61.31487	33.4
61.98820	100.0
63.78624	26.7
67.33815	26.5
71.56358	45.1
74.42455	28.4
91.99556	27.1
99.12954	32.6
103.46122	30.5
117.96304	31.0
127.06937	29.6
198.66158	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.4
59.01378	1.6
61.98829	100.0
65.99700	0.3
71.01374	0.7
71.56677	0.7
75.83994	0.4
85.02974	0.5
88.98831	0.5
99.00908	0.4
101.02415	0.4
115.11565	0.4
122.06220	0.6
125.02412	0.4
151.00388	0.5
152.07173	0.8
160.04112	0.5
192.06699	0.6
227.03523	0.7
232.90466	0.3
242.02299	1.1
243.02950	7.7
243.05257	0.5
257.02206	0.4
257.04498	2.0
270.01697	1.9
271.02435	7.3
278.58469	0.4
285.04047	4.2
286.01944	0.4
286.04846	1.4
299.01993	2.2
300.02817	0.9
314.04279	11.6
314.07834	0.6
315.04987	2.7
357.14807	0.7
373.52667	0.4
477.10352	25.7
478.10498	1.9
479.25247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35128	0.5
57.47624	0.5
58.00585	1.2
62.73336	0.5
71.01385	1.3
71.03595	1.3
72.00906	12.7
77.84072	0.6
84.12518	0.5
87.00872	1.8
88.10056	0.5
100.60029	0.6
101.02469	0.6
103.05530	2.1
113.02402	0.6
116.30541	0.5
118.03740	0.5
119.56415	0.5
121.02937	1.3
122.03755	0.8
145.02960	1.0
147.04529	37.2
148.04858	1.4
149.02449	9.8
150.02010	0.8
150.03224	15.4
151.03587	0.7
161.02475	0.9
161.04530	3.1
162.03238	1.1
164.04828	6.6
164.07164	100.0
165.05571	42.1
165.07420	2.3
165.08670	0.6
166.05923	1.7
177.05588	1.3
180.04250	1.8
195.06631	19.0
196.07057	0.8
237.66893	0.6
327.10843	13.0
348.35297	0.6
457.46075	0.6
551.00659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77896	0.1
55.78487	0.1
57.03456	0.2
59.01377	1.0
61.98829	100.0
62.98529	0.2
65.65183	0.1
71.01388	0.7
73.02962	0.1
81.03471	0.2
83.01391	0.3
85.02953	0.2
87.00912	0.2
89.02455	0.3
90.85410	0.1
93.03469	0.2
93.09274	0.1
95.05000	0.2
97.02965	0.6
101.02450	0.2
108.02207	0.1
113.02452	0.1
118.24783	0.1
119.03542	0.3
121.02986	0.5
123.04522	0.1
125.02482	0.4
127.64712	0.1
132.88031	0.1
135.04533	0.6
136.04878	0.2
137.02435	1.3
138.02843	0.4
149.02426	0.8
161.04578	0.1
163.06100	0.2
171.04620	0.2
175.02554	0.1
187.04141	0.1
187.07559	0.2
190.05931	0.2
205.07051	0.2
205.08762	0.2
211.07661	0.2
255.06577	0.6
256.06958	0.8
273.07648	1.5
274.08038	1.9
444.21295	0.1
516.66541	0.1
540.15826	0.7
541.26105	0.1
545.83075	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	540.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.7
61.98830	100.0
65.86874	0.2
69.20033	1.2
69.20452	0.9
71.01381	0.6
72.44256	0.2
79.15855	0.2
89.02473	0.2
98.19902	0.4
101.02448	0.5
113.02513	0.3
211.13539	0.2
226.82391	0.2
363.68839	0.3
377.44098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98829	100.0
67.75559	0.1
69.42117	0.4
69.42539	0.8
71.01363	0.2
88.05918	0.1
88.98827	0.2
91.57365	0.1
113.62341	0.1
115.00426	0.1
117.27067	0.1
144.94398	0.1
166.96204	0.2
167.04767	0.1
175.02484	0.2
390.06876	0.1
462.22205	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	540.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72845	0.3
61.98830	100.0
69.31796	2.9
74.74269	0.3
83.09874	0.3
98.20607	0.7
120.03889	0.4
144.66174	0.4
258.46573	0.4
283.88770	0.4
368.43765	0.4
444.24725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.6
61.90658	0.1
61.98831	100.0
63.38202	0.1
71.01397	0.4
79.71374	0.1
89.02451	0.3
93.03480	0.2
97.02969	0.4
98.19852	0.4
101.02484	0.2
113.02407	0.2
115.91861	0.1
119.05054	0.2
121.02987	0.3
123.04517	0.2
125.02473	0.3
135.04527	0.3
137.02455	0.8
149.02440	0.6
150.02817	0.2
187.04041	0.2
188.07730	0.2
212.08028	0.2
255.06622	0.5
256.07043	0.5
273.07632	1.0
274.08054	1.2
540.15802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76308	0.2
53.92965	0.2
59.01377	0.3
61.98829	100.0
69.77972	0.8
71.01401	0.3
81.30923	0.2
88.11880	0.2
89.02464	0.2
101.02445	0.2
136.08086	0.2
169.27260	0.2
202.04163	0.2
332.50894	0.2
462.24203	0.2
487.81540	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
60.99307	1.0
61.98830	100.0
69.38628	0.9
69.39037	0.4
71.17928	0.2
73.02953	0.2
87.00877	0.5
88.00419	0.7
88.98804	5.8
89.02461	0.4
116.14657	0.2
133.02971	0.2
149.44366	0.2
161.02507	0.4
162.03262	0.2
166.86098	0.2
255.60799	0.2
359.11676	0.2
363.85944	0.2
477.13757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
59.35540	0.3
61.98832	100.0
62.98544	0.4
65.35723	0.3
70.58607	0.3
71.01391	0.7
71.56570	0.3
72.71107	0.3
75.00864	0.5
101.02466	1.0
103.00400	0.6
119.03518	0.4
149.42557	0.3
150.13478	0.3
212.13765	0.5
226.22592	0.3
279.24753	0.3
401.39157	0.3
540.28961	1.7
565.08185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
61.98831	100.0
62.98545	0.2
71.01387	0.4
71.56461	0.3
88.98845	0.2
89.02444	0.3
94.72743	0.2
94.99681	0.2
165.05556	0.3
179.05646	0.4
179.07076	0.2
191.03535	0.2
195.06677	0.3
291.07101	0.3
332.28503	0.2
415.68369	0.2
462.80460	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.03085	4.4
69.71581	20.0
76.61815	4.4
87.48998	4.8
116.01221	4.2
122.17449	4.3
152.57173	4.6
206.28383	5.5
228.04527	5.8
255.23216	5.0
565.20984	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	541.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19467	1.5
59.01379	39.2
61.98828	34.1
68.65408	1.6
71.01382	7.5
73.02962	2.6
77.01715	1.6
83.01390	3.5
85.02957	1.8
89.02423	2.3
91.05533	17.7
99.04496	2.7
101.02437	6.8
103.03994	2.2
107.05950	1.5
113.02461	5.5
115.05523	9.9
116.88953	1.5
117.07115	30.4
117.29369	1.8
119.03504	2.5
133.06604	49.6
135.04497	3.9
161.06070	100.0
162.06425	1.8
163.04002	15.7
163.06032	1.7
166.10345	1.5
175.02713	1.5
187.03998	23.2
205.05109	16.7
243.10216	5.2
261.17673	1.7
405.15582	2.3
405.82941	1.7
454.43384	1.9
478.30573	3.6
540.29211	2.3
541.29590	6.7
559.45441	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	541.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17610	0.3
61.98820	1.5
70.11721	0.9
76.27508	0.3
76.82070	0.3
86.07225	0.3
180.33351	0.3
211.04019	0.6
212.04811	0.4
213.05502	1.6
228.04312	0.5
240.04366	0.8
241.05090	2.2
242.05836	1.3
243.06554	1.5
252.04379	0.6
253.04958	0.5
254.05865	0.7
255.06659	0.9
256.07373	1.0
262.28891	0.3
269.08139	0.5
304.41074	0.4
370.81735	0.3
381.11307	0.6
391.09760	1.8
392.10535	2.1
393.11325	0.8
397.10907	0.5
404.10608	0.4
407.08823	0.6
407.13406	0.5
408.09650	0.6
418.08435	0.4
419.09146	1.4
420.10077	1.2
421.10611	0.7
424.13388	0.6
425.10254	5.2
426.10629	0.7
429.41290	0.4
433.10742	0.5
434.11731	0.5
435.12601	4.8
436.13223	0.5
437.09933	0.5
439.11624	0.4
440.12592	1.3
449.09692	0.5
450.15085	0.8
451.11679	1.5
452.08838	0.6
453.09607	2.6
454.10413	0.5
462.10809	0.4
465.13315	0.8
467.10953	2.2
468.12088	8.6
469.12537	0.7
477.13519	0.5
479.11392	0.5
480.11963	1.3
483.14484	18.9
484.14926	2.1
493.12808	0.7
494.13901	1.7
495.15451	2.0
496.11591	9.6
497.11899	0.4
507.14941	0.6
509.15933	0.9
510.13129	2.8
511.13925	9.2
512.14380	1.1
525.15509	5.3
526.16302	30.6
527.16449	3.2
541.18665	100.0
542.19019	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	541.1868
Annotation	(3S,4S)-3,4-trans-2',7-Dihydroxy-4'-methoxy-4-[(3S)-2',7-dihydroxy-4'-methoxyisoflavan-5'-yl]isoflavan
Peak:m/z	Relative Intensity
61.70937	1.1
61.98822	3.6
65.46875	1.3
71.55586	2.5
75.47676	1.1
80.96518	1.8
117.09110	1.2
123.74314	1.3
138.78365	1.3
145.92195	1.3
197.06064	3.2
211.04004	1.7
212.04764	5.7
213.05576	12.7
224.04794	2.1
225.05627	7.5
226.05846	1.3
227.03546	7.2
227.07101	1.9
228.04152	7.1
239.07109	16.8
240.04277	6.1
240.07915	15.6
241.05051	21.4
242.05785	5.7
243.04462	1.7
243.06606	9.7
253.04962	2.7
254.05840	2.2
255.02945	4.0
255.06618	33.0
255.10249	15.6
256.03763	5.2
256.07407	38.2
257.08215	6.1
269.04630	2.1
270.05304	10.3
270.08194	1.5
271.06119	24.4
271.09750	41.2
272.06842	1.9
272.10040	2.0
285.07712	28.0
286.08353	3.0
526.16211	6.4
541.18701	100.0
542.18970	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	541.1867
Annotation	(3S,4S)-3,4-trans-2',7-Dihydroxy-4'-methoxy-4-[(3S)-2',7-dihydroxy-4'-methoxyisoflavan-5'-yl]isoflavan
Peak:m/z	Relative Intensity
50.91885	1.1
52.03207	1.0
59.01378	2.1
61.98834	3.1
63.43612	1.3
69.62560	3.1
69.62982	4.7
71.07480	1.1
92.38551	1.2
174.09297	1.0
241.05045	1.9
241.21741	7.6
242.05605	1.6
242.22064	2.6
255.06905	1.6
342.95563	1.1
370.42795	1.6
423.01776	1.2
425.10254	6.3
440.12552	1.6
453.09818	2.5
458.19662	1.1
466.29468	1.9
467.11133	2.4
468.12048	7.4
483.14563	19.3
484.15054	2.0
496.11517	5.3
510.13348	2.8
511.14026	9.7
512.13928	1.3
525.15320	6.0
526.16217	28.8
527.16779	2.9
541.18646	100.0
542.19098	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	541.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87938	0.5
60.99309	16.0
61.98829	94.8
69.32682	4.2
78.95911	0.5
88.85591	0.4
88.98805	100.0
89.02425	3.7
89.99150	0.5
98.19841	0.9
182.01872	0.5
222.15819	0.4
226.75294	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56979	0.2
59.01370	2.0
60.17823	0.2
60.84557	0.2
61.98830	100.0
62.98524	0.3
63.36139	0.2
71.01376	0.6
73.02940	0.3
73.30476	0.2
77.37159	0.2
89.02436	0.5
99.38351	0.2
101.02452	0.7
115.05540	0.3
128.52409	0.2
161.04628	0.4
230.20802	0.2
230.22975	0.5
295.21140	0.2
303.29514	0.3
500.25922	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.8
59.01372	2.8
61.98836	4.6
65.06841	0.6
66.92099	0.6
68.99798	1.3
69.65443	1.0
69.65852	3.3
71.01397	3.3
73.02926	1.2
75.00863	1.0
81.43169	0.6
83.01364	1.3
85.02965	4.1
87.00884	3.1
89.02431	1.1
91.05537	8.8
91.06068	1.1
95.01427	0.9
96.36767	0.5
99.00872	3.1
101.02425	2.0
111.00859	1.3
113.02441	4.4
113.99589	10.1
114.97637	0.7
115.00390	5.3
117.07097	1.8
125.02374	0.7
127.00364	2.0
129.01936	1.5
133.06575	4.4
135.04539	0.8
149.02452	1.1
157.01378	3.9
161.06094	6.7
163.04001	9.7
164.04745	1.1
174.01678	10.7
175.02455	1.1
195.68050	0.6
205.05070	1.6
223.06104	14.9
224.51648	0.6
253.04961	0.7
265.06998	0.9
277.05615	13.3
337.07751	100.0
338.08102	5.2
503.15796	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49053	0.8
59.01379	29.0
61.98826	3.5
71.01383	24.3
71.56536	1.3
72.67634	0.7
72.99314	2.7
73.02934	1.6
78.94405	0.7
83.01389	3.2
85.02942	4.6
87.00873	15.6
89.02444	22.3
91.05531	13.0
94.98069	1.3
95.01377	2.0
99.00903	2.2
101.02450	9.2
111.00930	1.0
112.98805	1.2
113.02464	8.3
113.99596	2.8
115.00377	30.2
115.05534	9.9
117.07118	7.4
119.03522	9.8
125.02465	1.1
127.00376	1.4
129.01924	1.2
131.03516	0.8
132.26555	0.7
133.06583	4.8
135.04506	1.0
139.00357	1.4
143.03526	1.4
143.05022	1.3
157.01402	2.6
161.04601	2.5
161.06064	16.3
163.04010	16.7
164.04375	1.0
174.01665	3.0
175.02473	100.0
176.02843	2.3
179.05643	9.4
179.07150	1.6
187.04001	26.1
188.04362	1.5
190.02643	1.7
201.05533	1.0
205.05055	3.7
219.06538	1.0
223.06073	8.0
255.03036	1.0
277.05673	4.4
283.35309	0.9
308.44354	0.8
321.06253	5.0
325.09305	1.5
337.07748	31.4
338.08032	1.6
363.07202	8.0
381.07950	1.5
385.11478	3.2
390.46320	0.8
393.51843	0.8
543.13116	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	543.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
57.03437	0.4
58.00592	0.4
59.01379	28.7
61.98827	0.8
68.39883	0.2
69.03443	0.3
69.52471	0.5
69.52862	1.7
71.01380	7.2
72.99306	0.5
73.02943	3.1
81.03460	0.3
83.01376	1.2
85.02946	4.2
86.00104	0.3
87.00874	2.1
87.04512	0.6
89.02429	2.3
97.02943	0.4
99.00858	0.6
101.02438	8.0
103.04022	1.6
113.02447	4.8
115.04018	1.1
119.03471	0.6
125.02424	1.4
131.03528	1.4
135.03482	0.4
135.04523	8.5
138.80692	0.3
143.03484	2.9
145.05064	0.5
149.06061	0.3
161.04559	4.1
163.04005	70.2
164.04343	2.0
177.05630	0.7
178.06349	68.9
179.06700	2.0
193.08687	100.0
194.09023	4.2
203.05571	0.4
205.07150	3.1
307.10361	1.5
355.13852	0.7
378.33752	0.3
436.20657	0.3
501.19763	16.7
502.20282	1.8
521.27930	0.3
543.20874	1.4
543.27887	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.6
57.03444	5.3
58.00602	2.2
59.01380	100.0
59.22427	0.6
60.01740	0.6
61.98828	8.3
69.03465	1.4
70.27921	0.7
71.01382	44.1
71.03430	0.8
71.03777	1.1
71.55773	0.6
72.45378	0.7
72.99323	4.3
73.02943	19.8
75.00907	1.0
83.01391	6.5
85.02951	21.6
86.00107	1.7
87.00883	8.8
87.04520	2.5
89.02445	18.8
95.01411	2.7
97.02972	2.6
99.00888	3.8
99.04535	3.2
101.02441	41.8
103.04007	8.8
109.21413	0.7
112.01671	0.8
113.02454	15.8
115.04005	3.4
119.03503	11.9
125.02441	4.1
125.16578	0.7
127.04032	1.2
129.02016	0.7
131.03497	7.6
143.03491	15.7
145.05080	3.6
159.02945	1.8
161.04564	9.7
163.06122	33.9
164.06447	0.9
165.05580	1.3
168.86717	0.8
179.05640	2.9
203.05582	0.7
205.07161	26.0
206.07487	0.8
216.69629	0.7
218.30594	0.7
222.07004	0.7
225.22676	0.7
247.08231	14.1
265.09344	1.3
303.96884	0.7
307.10019	1.0
325.11530	1.1
331.13254	0.7
355.21231	5.8
397.22696	1.0
501.27069	26.7
502.27441	3.4
543.27838	8.2
544.28705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17813	0.8
59.01379	100.0
61.98816	1.8
76.29109	0.9
77.34249	0.9
90.65330	0.8
96.95993	3.5
195.22882	1.1
255.23335	1.4
307.26324	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80168	0.8
59.01381	100.0
59.41697	0.8
61.98820	1.7
70.96164	2.0
71.01379	3.0
78.95914	8.4
79.95731	1.6
80.96512	10.5
82.96104	6.7
85.02934	1.1
89.02434	1.5
94.98048	1.9
96.96014	2.5
96.97672	1.8
101.02443	0.9
117.11737	0.8
131.03458	0.9
134.97650	0.7
137.83507	0.8
149.04535	1.3
152.99606	4.1
160.42395	0.9
166.98210	1.0
167.01100	0.8
223.08208	4.6
277.21713	88.0
278.22052	4.4
428.70209	0.8
445.23642	1.9
543.26923	29.1
544.27325	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	544.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42163	2.1
59.97726	2.0
60.96880	1.9
61.98831	100.0
63.27105	2.1
69.40799	11.1
69.41217	4.2
75.75600	1.9
95.02190	2.0
97.04305	2.0
114.18817	2.2
125.02440	2.0
163.05972	2.3
165.76785	1.9
174.78171	1.9
370.10516	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
61.98830	12.7
61.99157	0.7
69.65903	0.5
69.66309	1.5
71.01388	0.3
75.00889	0.4
78.95905	21.3
85.02968	0.3
87.00861	0.5
88.91080	0.3
96.95998	0.9
96.96964	4.1
125.03569	100.0
126.03950	1.8
160.19263	0.3
161.02417	0.7
163.03906	0.3
176.99599	0.9
190.46519	0.4
191.03508	3.1
191.05602	5.2
195.00630	10.9
215.03485	0.8
235.40608	0.3
257.23135	0.4
263.57916	0.4
275.03323	0.8
293.04395	1.5
321.04877	3.2
353.08676	0.9
419.08603	12.7
420.08911	0.6
545.12921	19.4
546.12750	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
55.79332	0.8
57.03441	2.6
59.01381	21.1
60.99308	13.7
61.98827	6.5
63.93127	0.8
71.01383	21.6
72.99319	1.7
73.02957	7.7
81.03468	0.9
83.01374	4.9
85.02954	11.3
87.00883	2.9
87.04519	1.1
88.98806	100.0
89.02448	6.6
89.99151	0.8
93.03459	7.6
95.01396	2.3
97.02985	0.9
98.20634	2.8
99.00892	4.0
101.02444	13.8
109.02916	0.9
111.00859	1.5
112.01666	1.6
113.02451	10.4
115.00385	1.6
119.03483	2.3
125.02442	1.7
132.01920	0.9
137.02444	15.6
139.00345	1.5
143.03484	3.2
145.01425	6.3
149.04555	0.9
153.01865	1.6
159.02986	1.2
161.04564	7.3
162.88078	0.8
163.06114	1.7
177.01901	1.7
181.58659	0.8
206.10017	0.8
213.00369	1.9
220.67690	0.8
221.08261	1.0
248.45389	0.9
351.21732	1.0
399.23837	9.4
400.24191	1.1
435.22464	1.5
459.02448	0.9
459.08792	2.1
545.22101	4.2
545.29578	15.7
546.29730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58721	0.4
52.44765	0.4
54.28446	0.5
55.01880	4.7
57.03445	4.9
58.00591	4.2
59.01379	80.7
60.01719	0.7
60.43633	0.4
60.83311	0.4
61.98834	4.4
64.09651	0.5
68.99797	0.6
69.03452	1.6
71.01381	100.0
71.04758	0.8
72.01717	1.4
72.99307	6.6
73.02943	28.3
74.03296	0.6
75.00867	2.7
81.03453	0.6
82.95424	0.7
83.01386	10.8
83.05022	0.9
85.02950	45.5
86.00111	1.6
86.03307	0.6
87.00879	8.7
87.04514	1.8
89.02443	51.6
90.02777	0.8
94.91396	0.4
95.01385	6.8
97.02957	2.3
99.00877	11.4
99.01527	0.7
99.04520	0.7
101.02441	66.5
102.02785	1.2
103.04016	7.2
111.00897	2.7
112.01669	0.5
113.02449	41.4
114.02772	0.9
115.04008	1.7
119.03500	26.7
120.03853	1.0
125.02431	4.7
127.04002	1.0
129.01939	1.2
131.03497	4.9
139.00374	1.0
143.03497	12.5
145.05081	2.0
149.04575	1.7
159.02977	5.3
161.04552	44.1
162.04927	1.0
163.06110	12.6
174.51938	0.5
179.05612	12.2
179.07190	0.7
205.03503	1.2
205.07146	11.0
247.08147	4.2
248.13443	0.5
259.06183	0.7
269.04510	1.1
287.05484	0.6
297.51041	0.5
336.67676	0.5
339.25037	0.5
341.19635	5.2
399.23862	21.4
400.24243	1.3
434.84937	0.6
443.22766	0.9
472.26511	0.7
487.25439	5.5
527.28601	2.6
528.28491	0.6
545.29663	59.4
546.30054	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	545.2965
Annotation	Officinoside D
Peak:m/z	Relative Intensity
55.01876	5.5
57.03450	6.1
58.00614	4.4
59.01379	100.0
60.62750	0.8
61.98788	0.9
69.03436	2.6
71.01383	76.5
72.99297	5.2
73.02946	37.8
75.00860	2.2
81.03449	1.4
83.01388	14.6
85.02950	46.8
86.00085	3.2
86.03260	0.8
87.00874	15.0
87.04526	5.5
89.02445	37.4
95.01392	5.1
97.02928	2.7
99.00875	9.0
101.02444	80.7
102.02784	1.4
103.03380	1.4
103.04011	17.5
111.00876	2.2
113.02454	31.4
113.03255	1.6
115.04034	8.1
116.51068	0.9
119.03506	28.1
125.02440	3.1
127.04031	1.5
129.01913	0.9
131.03523	12.1
143.03502	27.3
145.05069	6.6
159.02971	3.5
161.04562	23.9
161.82133	0.8
163.06126	57.7
164.06345	1.7
171.03188	0.8
178.02267	0.9
179.05582	2.8
205.07173	52.0
208.98351	0.9
247.08209	17.1
307.10193	0.9
325.11417	0.8
381.22900	0.9
399.23859	60.5
400.24203	4.7
545.29626	40.5
545.37952	2.0
546.29773	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	545.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85526	1.8
54.77399	1.7
59.01376	19.3
61.98832	13.5
69.78280	9.2
71.01385	5.3
85.02960	2.7
89.02456	3.4
96.96081	1.7
98.20612	3.4
101.02441	3.1
123.16111	1.9
161.04517	2.3
231.17531	1.8
249.18591	100.0
250.18895	3.5
253.09297	15.8
295.23059	2.8
365.23990	1.8
501.22626	2.0
545.29138	5.2
574.96680	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	545.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84889	0.6
53.52639	0.6
56.77352	0.6
57.03446	1.3
59.01104	1.1
59.01382	17.8
59.54668	0.6
61.98837	4.8
62.00391	0.6
67.32602	0.7
69.29961	6.1
69.60748	0.6
71.01388	9.4
72.99330	0.9
73.02943	2.3
83.01374	2.0
85.02477	0.8
85.02944	4.7
87.00880	1.9
89.02441	7.5
95.05025	0.7
97.06586	1.5
98.19852	1.2
99.00907	1.4
101.02455	9.3
101.31041	0.7
102.02736	0.6
113.02449	5.0
113.09730	1.7
119.03510	1.8
125.02386	0.9
141.09256	1.0
143.03494	0.7
161.04538	3.6
165.12849	2.4
167.10707	0.9
167.14375	1.2
181.12407	2.7
193.12332	1.7
195.13881	2.4
197.11899	0.8
211.13412	3.0
213.14923	0.8
221.15364	1.9
241.14511	1.2
247.20697	2.8
253.09279	19.2
263.20261	0.8
273.18594	2.2
281.21201	1.2
291.19672	30.2
292.20068	2.7
309.20721	100.0
310.21091	6.6
311.22266	0.8
337.92050	0.7
341.26944	2.3
383.24103	0.9
485.30960	1.0
503.32300	4.0
545.30109	11.8
546.29858	0.9
565.63745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.1
61.98810	1.4
65.20558	1.1
70.14979	2.5
70.15391	3.4
78.95898	5.5
81.64537	1.1
93.03448	1.3
95.05000	2.9
105.03471	10.1
119.05043	1.9
121.02919	2.5
132.02191	7.0
133.02972	40.8
134.03766	17.6
135.04529	6.5
137.02483	6.2
139.04030	1.5
143.53314	1.2
145.02948	2.8
147.04462	2.5
148.05287	2.9
149.06087	2.4
150.03281	2.0
152.99574	2.8
160.01659	38.6
161.02457	20.6
161.06044	4.7
175.04005	86.0
176.04295	2.2
177.01874	2.7
178.02652	2.9
179.03500	2.9
193.05052	9.1
211.37885	1.2
224.23578	1.1
287.12860	3.7
295.22763	12.8
327.16071	6.7
341.17618	3.1
349.27475	3.3
371.25690	2.7
385.27380	3.0
439.24905	7.1
453.26462	25.6
454.26480	2.8
455.22012	1.5
471.27478	49.6
472.27673	5.0
530.28809	2.3
538.60022	1.4
545.31122	100.0
546.31561	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	546.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
60.99300	0.6
61.98831	100.0
63.01649	0.2
71.55508	0.3
78.95924	0.3
82.84480	0.2
85.03027	0.3
87.00856	0.2
88.98812	4.9
89.02464	0.3
96.96005	0.2
96.96947	0.2
101.02464	0.3
130.38341	0.2
132.80672	0.2
133.06598	0.4
187.03967	0.2
215.07126	0.2
303.05194	0.3
338.66302	0.2
465.10400	1.6
466.10422	0.2
537.99097	0.2
546.11456	0.8
572.21790	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
56.78109	0.7
56.92471	0.7
57.03421	0.8
59.01384	11.3
61.98830	100.0
68.89267	0.8
71.01382	8.7
72.99319	1.0
73.02942	2.6
83.01422	1.0
85.02956	3.3
89.02449	3.6
99.00877	0.9
101.02423	4.4
113.02451	3.4
119.03525	1.2
159.02983	0.7
161.04605	2.0
162.04994	0.7
187.03941	1.0
275.08618	0.8
340.22601	0.8
400.24341	0.8
428.93494	0.8
432.47150	0.8
462.39352	0.7
466.22668	0.8
545.79584	1.8
546.29816	2.2
553.12183	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13649	2.4
59.01103	2.8
59.01379	40.7
61.98818	9.2
62.46796	2.0
64.83234	2.1
69.40102	14.2
69.40517	4.8
71.01379	16.6
73.02930	6.0
85.02942	3.7
87.00865	5.8
89.02447	14.9
98.07489	2.0
99.00878	2.0
101.02454	23.1
103.03981	4.7
105.03453	2.4
107.05038	16.9
111.51517	2.2
113.02443	2.6
114.01692	1.9
115.04037	2.9
117.03432	2.4
119.03522	11.0
121.02971	8.1
126.65899	2.1
131.03506	6.0
135.04523	4.4
135.12831	1.9
138.03229	2.3
138.88551	1.8
143.03474	5.8
145.05048	2.5
153.05721	2.7
161.02454	32.8
163.06120	9.0
174.01643	2.7
179.03500	100.0
179.05304	3.4
179.05653	4.8
180.03809	4.0
189.01894	11.5
205.07159	8.2
231.03026	3.8
249.04048	5.0
290.72827	2.5
539.91718	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	547.1668
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
57.03442	1.3
59.01381	20.3
69.20966	5.7
69.21391	5.3
71.01382	18.4
71.52173	1.0
73.02933	2.1
83.01360	1.5
85.02946	4.9
87.00865	8.7
89.02439	15.9
91.01889	1.6
91.05502	1.3
95.01401	1.1
101.02452	10.1
110.20697	1.3
113.02468	8.8
119.01369	4.8
119.03485	4.5
119.05009	1.3
121.02946	5.8
129.01880	1.5
132.02203	1.3
135.04482	1.8
143.03462	1.5
147.00871	3.2
147.04529	3.6
149.02440	41.1
158.31323	1.2
161.04524	4.1
163.04002	4.3
164.04790	41.8
165.05351	1.6
174.01663	3.0
175.00359	26.7
179.05602	5.3
179.07130	5.8
187.04056	1.6
190.02708	83.8
191.03238	5.3
193.01341	1.7
205.05052	100.0
206.05640	8.4
207.02902	2.0
208.03790	5.9
221.08214	5.8
223.06105	90.8
224.06407	3.4
237.07607	2.2
240.93701	1.1
250.04926	1.9
265.07153	32.9
295.08157	9.4
323.09799	2.0
325.09363	12.1
341.10934	8.9
352.07816	1.1
367.10132	7.8
385.11374	6.8
473.00034	1.0
495.87668	1.1
547.16650	73.3
547.23053	2.9
548.17285	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	547.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48814	0.9
58.45093	1.0
59.01382	20.1
60.99311	2.0
61.98830	5.8
63.22853	1.1
69.96483	1.1
70.86665	1.6
70.86987	1.7
71.01372	4.4
76.17352	1.1
78.95896	1.2
85.02940	1.2
88.98811	15.5
89.02439	4.3
96.96011	3.2
96.96946	1.3
101.02434	1.9
111.00908	1.4
113.02434	3.6
117.03478	14.6
119.03553	1.4
119.04244	2.2
119.05029	29.9
133.06613	2.2
145.02957	100.0
146.03282	2.7
154.46530	1.1
161.06052	3.4
163.04015	50.6
164.04401	1.2
177.05565	1.0
187.03989	5.2
205.05057	9.3
235.06042	1.8
265.07147	3.4
285.04053	1.2
325.09280	56.9
326.09888	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	547.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07460	1.0
59.01380	9.6
61.98532	1.9
61.98833	31.7
65.00347	1.1
66.50191	1.1
69.30741	10.3
71.01387	8.4
71.86700	1.1
73.02944	4.3
83.01402	1.8
85.02959	3.4
87.00828	1.9
88.98781	3.5
89.02415	3.1
91.01890	2.6
92.48434	1.3
95.88142	1.2
101.02425	4.7
113.02438	3.3
116.11182	1.1
117.03397	1.5
119.01375	7.3
119.03525	1.8
121.02930	3.6
133.02921	2.0
135.04543	5.6
137.02391	1.3
143.03523	1.5
144.78644	1.4
145.02968	2.6
146.03732	51.2
147.00854	7.0
147.04454	1.3
149.02440	13.2
161.02417	5.4
161.04539	3.4
161.06055	16.0
162.03159	1.8
163.02795	1.7
163.03993	8.4
164.04796	48.4
165.01855	1.4
165.05301	3.2
170.63492	1.3
175.00354	37.6
176.00905	2.2
178.06364	5.8
179.03532	1.7
179.07138	55.1
180.07416	2.8
184.79434	1.1
190.02716	98.1
191.03203	4.8
193.08632	5.9
196.05231	2.4
205.05048	100.0
206.05414	4.1
208.03708	1.6
213.10291	1.6
223.06073	19.7
223.39104	1.3
224.04720	4.7
239.07127	14.7
245.31374	1.2
247.06000	1.7
367.10312	96.8
368.10596	7.7
413.87036	1.3
429.20865	1.6
476.46750	1.6
501.20233	2.2
547.18103	47.8
548.18420	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	547.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01197	0.9
59.01388	5.9
61.98838	11.7
62.84081	0.8
69.03470	1.1
69.24839	9.6
71.01376	4.5
73.02944	1.0
81.03455	6.5
83.01379	6.1
85.02959	2.9
87.00894	1.2
88.98812	1.6
89.02447	2.5
91.49639	1.1
93.03443	1.6
95.01381	1.8
95.05034	5.1
97.02961	4.9
98.60840	0.8
99.04513	1.5
101.02435	3.1
103.28887	1.0
108.02177	1.5
109.02958	2.7
111.04528	2.3
111.78606	0.9
112.98822	1.5
113.02461	2.7
115.07641	2.3
119.05048	2.3
121.02938	2.7
123.04524	9.4
125.02460	10.5
135.04567	4.3
137.02451	3.6
137.06107	3.5
139.03981	4.6
139.07657	7.3
149.02451	1.0
151.03993	2.9
151.11298	1.4
153.05577	1.1
161.04581	1.7
163.03996	2.0
163.71214	0.9
165.01950	1.4
165.05609	1.8
167.03510	18.4
173.00925	1.1
179.03468	4.2
179.10805	6.0
181.05003	1.3
181.08685	1.1
191.03447	1.4
193.05083	1.5
193.12332	3.0
195.10234	3.7
197.04541	3.8
205.05063	1.3
209.04584	18.9
219.10162	1.3
221.08321	1.8
221.11772	1.6
223.06175	1.2
223.09763	6.3
227.03545	1.4
233.04419	1.2
233.11868	1.4
235.09731	4.0
239.05630	7.3
249.11353	3.3
255.02831	1.9
265.10782	16.8
269.06732	1.6
277.10849	9.0
284.03345	2.1
285.03967	2.0
291.12259	2.1
295.11896	6.6
307.11874	100.0
308.12228	5.4
309.04028	1.5
319.11853	5.3
337.12943	67.6
338.13336	4.8
349.12961	4.6
367.09634	1.3
367.13986	19.9
368.14233	1.4
396.11292	0.9
409.14960	6.6
427.16098	13.6
439.16098	4.1
457.16791	2.3
473.27469	1.3
547.20306	8.6
547.30389	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	547.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.80193	1.7
57.03415	1.9
59.01381	100.0
71.01382	45.2
72.99297	2.4
73.02950	15.5
79.40566	1.7
79.81229	1.8
83.01399	5.3
85.02954	22.5
87.00857	1.9
89.02434	11.5
95.01359	3.2
98.20698	3.8
99.00890	7.6
101.02452	29.2
113.02453	19.7
119.03495	3.7
125.02424	2.6
143.03546	4.6
159.03030	3.2
161.04581	15.8
194.02090	2.8
205.07098	1.8
209.04527	4.3
229.99893	2.8
232.82062	1.7
298.98981	1.9
315.18109	16.9
357.19305	2.7
461.23917	75.9
462.24200	5.7
503.25073	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	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11812	0.9
55.01875	4.1
57.03441	4.8
58.00583	3.2
59.01380	64.6
65.34954	1.0
66.90736	0.9
70.70598	1.0
70.70941	2.9
71.01382	63.9
72.99310	3.6
73.02943	9.2
75.00886	1.0
83.01392	7.1
84.29309	0.9
85.02951	35.4
86.03296	1.0
87.00883	5.9
89.02446	48.1
95.01389	11.1
96.96024	3.9
97.02940	2.6
99.00871	6.0
99.04520	1.0
101.02443	41.0
108.05791	0.9
112.01704	0.9
113.02448	66.1
119.03504	20.8
121.02914	1.5
123.00842	1.0
123.08158	1.4
125.02425	1.8
125.06054	1.5
131.03537	2.0
136.05266	2.0
138.06863	6.5
139.07631	1.5
143.03516	9.2
149.02455	5.1
149.04562	1.7
151.07620	6.6
152.08440	12.9
153.09215	31.4
154.09575	1.1
159.03030	2.1
161.04553	33.3
161.05876	1.5
161.09659	1.2
163.04079	1.1
163.11307	1.7
164.04791	6.0
165.09193	2.0
175.00357	3.0
175.71439	0.9
179.05630	15.5
179.07114	1.4
187.03967	2.8
190.02739	9.8
192.02722	1.5
205.03334	1.5
205.05077	11.9
205.12329	23.7
206.12627	1.1
208.07387	2.3
223.06131	12.2
223.09775	2.0
223.13379	9.1
224.06714	0.9
249.30939	0.9
265.07162	4.3
295.08273	1.6
323.09796	11.1
325.09302	1.3
341.10867	13.9
385.18701	21.7
386.18967	1.2
406.40469	1.0
538.47388	1.1
547.16943	6.9
547.23999	100.0
548.17407	1.0
548.24573	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	547.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25705	0.9
55.01870	3.9
57.03441	4.2
57.40082	0.9
58.00586	3.4
59.01381	61.1
61.98830	21.7
70.64854	2.2
70.65229	2.0
71.01382	66.5
71.05017	0.8
72.11684	1.0
72.99307	4.3
73.02953	23.7
75.00867	3.0
83.01391	8.6
85.02958	32.6
87.00883	7.0
87.04540	1.4
89.02452	21.1
91.05548	2.2
95.01379	4.5
97.02946	1.8
98.19981	1.2
99.00884	7.1
101.02446	48.5
103.04015	7.3
107.01417	1.1
107.05000	1.6
111.00880	2.1
112.98591	1.2
113.02458	31.1
115.04013	2.6
115.05540	3.3
117.07108	3.6
119.03535	8.2
119.04991	1.4
121.02927	1.6
123.00893	1.3
124.01648	1.8
125.02476	2.2
127.03971	1.2
129.01959	2.6
131.03487	4.1
133.06587	2.3
135.04543	2.0
139.04015	1.4
143.03490	9.0
145.05103	1.6
151.00342	2.0
159.03018	4.8
160.01653	1.6
161.02489	1.9
161.04556	33.5
161.06085	9.5
162.04980	1.2
163.04047	2.1
163.06116	10.4
175.04015	2.9
179.03490	10.7
179.05098	1.5
179.05579	1.6
187.04005	14.7
188.04388	1.1
193.05115	1.8
205.03397	1.5
205.05162	1.6
205.07126	8.1
234.24208	1.0
247.08049	2.2
290.29556	1.1
300.02621	1.5
301.03564	4.7
339.99347	1.0
377.00638	1.0
389.36133	1.0
401.25412	35.2
402.25635	2.1
440.92557	1.1
445.24225	5.2
461.23700	2.1
487.32349	1.7
516.91907	1.0
547.31335	100.0
548.31897	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	547.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11812	0.9
55.01875	4.1
57.03441	4.8
58.00583	3.2
59.01380	64.6
65.34954	1.0
66.90736	0.9
70.70598	1.0
70.70941	2.9
71.01382	63.9
72.99310	3.6
73.02943	9.2
75.00886	1.0
83.01392	7.1
84.29309	0.9
85.02951	35.4
86.03296	1.0
87.00883	5.9
89.02446	48.1
95.01389	11.1
96.96024	3.9
97.02940	2.6
99.00871	6.0
99.04520	1.0
101.02443	41.0
108.05791	0.9
112.01704	0.9
113.02448	66.1
119.03504	20.8
121.02914	1.5
123.00842	1.0
123.08158	1.4
125.02425	1.8
125.06054	1.5
131.03537	2.0
136.05266	2.0
138.06863	6.5
139.07631	1.5
143.03516	9.2
149.02455	5.1
149.04562	1.7
151.07620	6.6
152.08440	12.9
153.09215	31.4
154.09575	1.1
159.03030	2.1
161.04553	33.3
161.05876	1.5
161.09659	1.2
163.04079	1.1
163.11307	1.7
164.04791	6.0
165.09193	2.0
175.00357	3.0
175.71439	0.9
179.05630	15.5
179.07114	1.4
187.03967	2.8
190.02739	9.8
192.02722	1.5
205.03334	1.5
205.05077	11.9
205.12329	23.7
206.12627	1.1
208.07387	2.3
223.06131	12.2
223.09775	2.0
223.13379	9.1
224.06714	0.9
249.30939	0.9
265.07162	4.3
295.08273	1.6
323.09796	11.1
325.09302	1.3
341.10867	13.9
385.18701	21.7
386.18967	1.2
406.40469	1.0
538.47388	1.1
547.16943	6.9
547.23999	100.0
548.17407	1.0
548.24573	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	547.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25841	1.4
59.01373	13.3
61.98821	5.2
69.30762	2.9
69.31097	16.0
70.31873	1.6
71.01391	2.5
73.33163	1.7
75.15694	1.5
89.02445	3.5
98.19833	2.8
140.46515	1.6
208.82327	1.7
251.20154	100.0
252.20462	4.8
253.09314	13.4
342.83401	1.9
343.14050	2.2
508.08218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01661	0.6
59.01382	17.4
61.98830	1.3
70.30615	0.8
70.30978	1.6
71.01385	2.7
73.02943	0.7
73.33817	0.5
85.02959	0.6
89.02438	2.2
101.02453	3.2
112.13306	0.5
113.00533	0.5
113.02452	1.8
119.03497	0.6
120.50035	0.5
161.04607	0.8
167.51154	0.5
233.19156	0.8
235.08255	1.7
251.20161	100.0
252.20493	5.8
253.09305	13.2
302.47205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29073	1.6
57.03420	1.5
57.36493	1.4
59.01105	2.0
59.01382	31.1
61.98830	100.0
71.01373	6.7
71.86642	1.4
73.02957	1.6
82.16012	1.6
85.02917	2.4
89.02460	1.8
98.92783	1.5
101.02426	5.1
113.02443	1.8
162.03284	2.1
179.70187	1.5
191.95435	1.5
196.76624	1.5
240.02147	1.6
256.07437	2.6
348.47104	1.5
546.77606	1.7
548.28662	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	548.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	42.5
60.01719	0.6
61.98833	100.0
69.43405	5.2
71.01395	4.6
73.02963	2.4
76.14410	0.6
83.01412	1.2
85.02959	1.0
88.98794	0.7
89.02474	2.9
101.02456	4.2
113.02474	2.7
119.03500	1.3
135.20464	0.6
161.04549	1.2
213.05695	0.7
234.23499	0.6
241.05167	1.1
256.07501	2.5
271.09836	2.4
399.24057	1.2
442.03040	1.0
488.33191	1.1
506.34396	1.0
549.19824	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49471	0.5
59.01379	32.7
60.01727	0.6
61.98831	100.0
68.88394	0.5
71.01389	4.5
71.56300	0.5
71.56690	0.8
73.02950	1.2
85.02967	2.1
87.00896	1.0
89.02448	2.0
99.00867	0.9
101.02460	3.2
113.02491	1.8
119.03580	0.6
119.11246	0.5
161.04549	1.2
164.80585	0.6
213.05684	1.1
241.05084	1.3
255.06633	0.8
256.07477	3.5
271.09811	4.0
276.12381	0.5
303.28159	0.5
399.23849	0.7
460.64725	0.7
548.31573	1.5
549.19818	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	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.8
61.98815	0.6
62.10430	0.2
69.43248	1.5
70.12681	0.2
77.03957	2.1
93.03459	0.3
98.19908	0.5
109.92674	0.2
121.02955	100.0
122.03304	2.3
137.02460	0.3
165.01926	54.0
166.02240	1.7
167.21536	0.2
180.05827	0.7
181.06593	2.5
182.06979	0.4
197.06090	2.1
207.04517	0.9
223.03923	0.4
225.05606	1.3
251.07085	0.4
251.10083	0.3
257.09732	0.7
285.09372	0.3
313.07166	1.6
357.06088	0.9
383.07559	0.5
402.40891	0.2
417.09882	2.5
505.11548	1.7
506.11472	0.4
549.10382	25.7
550.10645	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47459	4.6
59.01375	19.3
61.98829	10.3
65.56268	4.8
71.01378	26.4
71.55687	5.7
72.99297	6.1
78.95889	5.9
85.02952	10.4
87.00863	7.1
89.02428	23.1
92.55110	4.4
96.96015	15.0
101.02463	14.7
112.98820	6.0
113.02443	11.1
116.92896	6.2
117.01876	4.8
119.03480	12.4
129.01929	8.0
131.25151	4.4
142.99898	10.6
145.02965	8.7
149.02448	15.4
150.03236	53.7
161.02469	9.2
161.04544	10.0
162.03207	14.0
164.04793	16.7
165.05576	100.0
172.88083	6.0
173.00864	5.0
173.08192	7.1
177.05544	8.6
179.05627	11.6
180.04253	9.0
195.06670	46.0
204.40990	4.4
327.10931	27.6
357.11710	11.7
513.23370	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	549.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04097	0.4
52.27164	0.5
57.03444	0.9
58.00586	1.9
59.01381	36.6
61.98832	4.9
66.96873	0.5
69.20262	0.8
69.20615	5.6
71.01382	8.7
72.99296	2.0
73.02655	0.4
73.02956	4.1
83.05042	0.5
85.02958	7.3
87.00864	0.6
88.98802	1.5
89.01926	0.7
89.02451	9.5
101.02449	9.1
103.04023	6.9
112.45962	0.5
113.02478	0.8
114.48463	0.5
119.03497	3.6
119.05038	1.0
160.01688	1.1
163.06090	1.9
212.04793	1.3
213.05566	21.3
214.05779	0.8
227.07196	1.0
240.04218	2.6
241.05060	43.0
242.05406	2.0
243.06606	1.1
254.05832	0.6
255.06612	13.8
256.07410	92.3
257.07813	4.4
270.08902	2.1
271.09756	100.0
272.10101	5.0
299.45059	0.6
385.12842	4.1
403.13977	6.4
404.14240	0.7
415.28241	0.6
428.93777	0.5
549.19794	51.7
550.20264	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	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11968	1.1
56.69350	1.0
58.33805	1.0
59.01382	5.6
61.98824	7.1
62.64355	1.1
64.54472	1.0
71.01382	7.2
71.24934	1.0
71.56671	1.2
73.02891	1.1
83.01378	1.6
84.71979	1.1
85.02950	2.6
88.98829	2.1
89.02432	3.0
91.81493	1.1
93.03499	1.4
95.01375	1.3
96.96030	2.3
101.02446	3.7
108.02170	3.2
109.02964	2.6
113.02411	1.6
115.00308	1.3
121.02906	2.5
122.03686	1.4
123.00836	1.5
123.04515	2.2
125.02461	4.1
133.02980	1.7
134.03751	1.3
135.04543	1.7
136.01660	44.1
137.02466	7.7
149.02419	2.2
150.03195	1.4
151.00395	11.2
151.04010	60.1
152.04449	1.9
160.05299	1.2
161.02487	2.4
161.04649	1.3
161.06027	1.4
163.04073	2.0
166.02715	27.5
167.03398	1.3
175.02451	1.9
175.03957	2.4
177.01883	2.0
178.99858	4.3
179.03529	1.2
179.05695	1.4
181.05061	37.6
182.05342	1.9
191.07399	1.2
193.05119	1.1
193.35356	1.0
253.19756	1.2
259.06110	7.7
269.04538	1.5
281.80566	1.1
283.06180	1.3
287.05505	3.0
323.08932	1.7
329.10266	1.7
339.08667	2.9
354.11148	1.3
357.09781	13.6
367.07950	1.1
369.13324	5.1
372.12042	7.8
387.14465	100.0
388.14795	8.0
406.70584	1.3
547.00476	1.2
549.16376	1.9
549.28857	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.8
61.98833	5.8
67.10230	1.1
69.42648	8.8
71.01385	3.9
73.02943	1.4
83.01357	1.5
85.02937	2.9
87.00898	1.2
88.98820	1.3
89.02440	2.3
95.01389	1.2
96.96002	1.5
98.62712	1.1
101.02485	1.4
107.01432	1.3
109.02957	1.6
113.02425	2.0
115.00376	1.2
121.02990	4.0
122.03667	1.3
123.04536	2.0
125.02451	3.6
125.09570	1.1
134.03749	1.3
135.04510	1.5
136.01669	44.5
137.02490	7.6
145.38683	1.0
151.00385	12.1
151.04007	54.6
152.04407	1.2
159.04526	1.2
160.05225	1.2
166.02722	26.1
167.03374	2.5
175.02364	1.8
175.03955	1.9
177.02042	1.4
177.05566	1.6
178.99817	2.9
181.05070	33.7
191.03537	1.5
193.05182	1.4
259.06158	5.4
287.05588	3.5
329.10361	2.2
339.08688	1.7
357.09805	15.0
369.13434	1.8
372.12137	6.6
373.12271	1.3
387.14511	100.0
388.14691	6.8
393.57800	1.1
535.27124	1.4
548.50146	1.2
549.15863	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	549.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54325	0.2
58.56731	0.2
59.01381	4.5
61.98825	4.8
63.67578	0.2
67.01917	0.2
70.10773	0.3
70.11076	1.2
71.01382	1.9
72.99319	0.3
73.02939	0.8
75.81824	0.2
81.22450	0.2
83.01381	0.4
85.02956	1.4
85.20894	0.2
87.00875	0.5
89.02448	1.1
101.02428	1.4
104.53548	0.2
108.02174	0.3
111.00897	0.5
113.02448	0.8
113.24844	0.2
115.00352	0.3
116.92871	0.4
119.03544	0.4
120.45467	0.3
123.04524	0.4
125.02386	0.2
131.03540	0.4
132.06253	0.2
134.78157	0.2
143.03487	1.0
146.88289	0.2
161.04538	0.4
163.06056	0.2
187.04080	0.3
192.72081	0.3
197.06058	2.6
198.06859	4.1
199.07275	0.4
202.10803	0.3
205.07178	0.9
225.05557	4.8
226.06346	43.1
226.37260	0.3
227.06712	2.1
239.07190	0.3
240.07918	4.6
241.08694	100.0
242.09035	4.8
252.07939	0.2
283.09821	0.9
295.09662	0.4
369.10968	0.3
385.12979	2.8
386.13394	0.3
403.13937	0.9
409.14713	0.3
507.28073	0.3
549.19751	23.9
550.20288	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	549.328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	0.7
59.01379	15.2
61.98821	1.3
69.31763	3.8
69.32172	2.6
71.01373	2.0
84.74100	0.9
85.02942	1.1
89.02447	2.6
101.02431	2.8
113.02448	1.0
158.74602	1.0
160.48509	0.9
162.53856	0.9
235.08180	1.9
239.75003	0.9
246.88374	0.9
253.09302	12.3
253.21724	100.0
254.22087	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	549.343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43468	0.5
59.01369	1.5
70.06047	2.1
70.06461	1.2
71.01358	0.7
89.02455	1.3
91.03989	1.6
95.05023	1.9
105.03460	9.7
111.21828	0.6
119.04996	0.6
121.02965	2.3
123.04518	0.9
132.02158	3.9
133.02956	40.3
134.03763	9.0
135.04558	3.8
137.02441	3.7
139.03983	1.2
148.05266	2.5
149.06068	1.2
150.03300	0.7
158.07391	0.7
160.01656	25.5
161.02435	19.1
161.06076	3.7
162.03004	0.9
165.01945	1.1
175.03995	61.0
176.04315	2.1
177.01886	2.5
178.02736	3.1
178.04097	0.5
179.03473	3.3
193.05037	5.1
194.02162	0.8
204.11464	0.7
206.67639	0.5
233.08208	1.6
247.09747	1.8
261.11206	1.0
275.13058	1.0
289.14371	1.6
299.25891	9.1
303.16159	1.3
317.17642	2.0
331.19260	1.0
345.20651	1.5
355.22781	0.7
359.22113	1.7
373.23792	4.0
375.29025	1.5
387.25461	1.7
389.30762	3.1
443.27908	7.3
457.29553	22.8
458.30096	1.0
461.29034	2.2
475.30621	37.4
476.31082	3.2
534.31860	2.2
549.34320	100.0
550.34662	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	549.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79096	1.2
59.01366	3.7
61.98816	1.4
68.13824	1.3
69.99652	1.1
71.19004	2.8
75.86232	1.2
79.05863	1.1
81.46657	1.0
95.05029	1.6
98.20014	1.0
104.82435	1.2
105.03445	10.2
116.92824	1.5
121.02968	4.8
123.04489	1.2
132.02203	4.5
133.02960	41.3
134.03773	10.8
135.04512	3.6
137.02446	3.6
139.04030	1.9
144.89795	1.2
148.05254	2.6
149.06108	1.7
154.18687	1.1
160.01665	29.4
161.02444	18.5
161.06084	2.4
175.03995	69.5
176.04358	2.1
177.01935	2.9
178.02666	2.2
179.03496	2.5
193.05020	6.3
247.09685	2.0
261.11215	1.5
269.43723	1.1
275.12939	1.7
289.14566	1.8
299.25919	8.3
317.17572	1.9
331.19278	1.4
359.22418	1.9
373.23846	4.6
375.28860	2.7
387.25574	1.6
389.30484	3.5
401.27087	2.0
443.27969	9.1
457.29672	20.5
461.29175	1.9
473.75983	1.3
475.30585	46.1
476.31049	3.3
534.31818	3.0
549.34351	100.0
550.34790	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	550.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69378	0.3
61.98830	100.0
62.98577	0.3
69.61722	1.2
69.62146	1.0
74.70120	0.3
98.19960	0.6
131.46428	0.3
137.53938	0.3
153.63351	0.3
229.43253	0.3
306.91895	0.3
391.85938	0.4
548.57965	0.3
571.74597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
70.40747	0.2
71.04186	0.4
107.73639	0.2
119.04996	0.2
119.06588	0.2
129.45193	0.2
138.02660	0.2
163.03995	0.3
180.40796	0.2
191.17702	0.2
232.61911	0.2
280.19156	0.2
530.99615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
57.32902	0.2
59.01384	2.3
61.98830	100.0
67.39334	0.2
71.01382	1.8
72.99319	0.2
73.02966	0.4
85.02954	0.7
87.00888	0.8
89.02415	1.3
99.00880	0.4
101.02451	1.6
113.02482	0.7
117.03502	0.5
119.03532	0.6
119.05061	0.9
122.86681	0.2
125.02473	0.3
143.03490	0.4
145.02951	2.0
153.01947	0.3
161.04572	0.4
163.04001	1.2
163.06194	0.9
165.05534	0.2
168.04292	0.4
175.02386	0.4
183.06641	0.3
205.07188	0.7
205.21362	0.2
255.64264	0.2
345.12088	0.4
380.09827	0.3
389.12854	0.2
487.14609	2.7
550.26068	0.3
551.27295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
57.32902	0.2
59.01384	2.3
61.98830	100.0
67.39334	0.2
71.01382	1.8
72.99319	0.2
73.02966	0.4
85.02954	0.7
87.00888	0.8
89.02415	1.3
99.00880	0.4
101.02451	1.6
113.02482	0.7
117.03502	0.5
119.03532	0.6
119.05061	0.9
122.86681	0.2
125.02473	0.3
143.03490	0.4
145.02951	2.0
153.01947	0.3
161.04572	0.4
163.04001	1.2
163.06194	0.9
165.05534	0.2
168.04292	0.4
175.02386	0.4
183.06641	0.3
205.07188	0.7
205.21362	0.2
255.64264	0.2
345.12088	0.4
380.09827	0.3
389.12854	0.2
487.14609	2.7
550.26068	0.3
551.27295	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06730	1.0
59.01379	4.0
61.98830	15.4
64.69736	0.9
69.34871	7.5
70.87222	1.0
73.26099	1.1
75.39924	1.0
80.05013	1.1
106.06629	28.3
130.06641	1.4
132.04567	2.1
134.06113	2.5
146.06059	1.6
150.05585	2.0
152.07167	3.5
158.06100	4.1
160.03993	1.7
160.07655	3.7
174.05615	2.7
175.48376	1.1
178.05011	2.8
209.10881	1.2
211.12325	1.9
213.10173	1.9
222.08015	1.0
223.08810	1.5
223.12234	1.6
224.09673	1.4
235.08771	2.3
235.12383	2.5
236.09377	3.3
237.10271	7.0
239.11948	1.5
241.09709	1.2
241.13422	2.1
249.10345	9.4
250.10786	1.2
251.08156	2.1
251.09016	1.7
251.11899	24.3
252.12126	1.2
253.09854	1.6
253.13429	1.4
255.11391	1.4
261.10315	2.5
263.08188	4.8
264.09027	32.1
264.11847	1.5
265.09396	2.4
267.11136	1.2
269.09210	2.1
277.09802	9.2
278.10355	5.0
279.11374	100.0
280.11737	5.0
285.12445	5.1
295.10831	1.5
297.12402	5.9
305.09113	1.9
311.14008	11.7
323.10361	5.8
341.11407	5.8
355.13229	1.9
362.18137	1.5
370.15234	1.3
397.14633	1.4
412.16623	37.4
413.16946	3.1
430.17697	2.6
444.19363	1.9
450.66266	1.2
456.15659	34.4
456.21976	2.1
457.15912	4.3
474.16992	2.2
488.18054	3.6
500.14417	5.1
532.17084	4.2
550.17957	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	550.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57612	0.3
57.20792	0.3
59.01381	5.3
61.98831	100.0
71.01393	1.3
81.94215	0.3
83.01385	0.3
85.02985	0.5
89.02446	0.7
93.03470	0.6
99.00909	0.4
101.02475	0.9
108.02176	0.5
112.98579	0.4
113.02427	0.5
121.02965	0.5
122.03762	0.7
123.04540	0.5
124.01606	0.3
125.02474	0.5
137.02527	0.4
149.02502	1.6
150.03241	3.8
151.04065	0.4
161.04549	0.3
162.03264	0.8
165.05568	4.1
168.00691	0.5
175.04039	1.2
177.05629	0.5
178.02754	0.4
190.06360	0.4
193.05099	1.2
195.06639	1.5
222.05209	0.5
242.08846	0.5
244.36739	0.3
279.06662	0.4
285.04330	0.3
293.08331	0.5
295.06094	0.7
307.06308	0.8
309.07562	0.4
310.08728	0.6
311.09451	0.4
322.08282	0.5
323.09052	0.4
324.09937	0.5
325.10971	1.1
337.10742	1.6
353.23471	0.5
459.15033	0.5
473.16025	2.1
503.17169	3.8
521.18420	0.5
551.19800	2.3
577.59174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57612	0.3
57.20792	0.3
59.01381	5.3
61.98831	100.0
71.01393	1.3
81.94215	0.3
83.01385	0.3
85.02985	0.5
89.02446	0.7
93.03470	0.6
99.00909	0.4
101.02475	0.9
108.02176	0.5
112.98579	0.4
113.02427	0.5
121.02965	0.5
122.03762	0.7
123.04540	0.5
124.01606	0.3
125.02474	0.5
137.02527	0.4
149.02502	1.6
150.03241	3.8
151.04065	0.4
161.04549	0.3
162.03264	0.8
165.05568	4.1
168.00691	0.5
175.04039	1.2
177.05629	0.5
178.02754	0.4
190.06360	0.4
193.05099	1.2
195.06639	1.5
222.05209	0.5
242.08846	0.5
244.36739	0.3
279.06662	0.4
285.04330	0.3
293.08331	0.5
295.06094	0.7
307.06308	0.8
309.07562	0.4
310.08728	0.6
311.09451	0.4
322.08282	0.5
323.09052	0.4
324.09937	0.5
325.10971	1.1
337.10742	1.6
353.23471	0.5
459.15033	0.5
473.16025	2.1
503.17169	3.8
521.18420	0.5
551.19800	2.3
577.59174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28770	0.6
56.26852	0.7
59.01378	1.7
61.98832	100.0
70.59457	0.7
70.59822	1.9
98.20584	0.6
121.03050	0.7
141.57190	0.6
161.39717	0.6
252.20485	0.8
301.97791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60423	1.1
51.87815	1.2
58.77690	1.3
59.01380	10.7
59.74146	1.2
61.74300	1.2
61.98828	28.9
63.56395	1.3
70.22475	1.2
71.01384	15.1
71.56269	1.6
72.99307	2.6
73.02946	3.9
75.00871	10.3
78.45536	1.1
83.01398	3.7
85.02972	2.8
87.00879	17.7
88.98805	4.4
89.02464	2.9
89.44739	1.4
93.03457	5.0
95.01376	1.6
98.95634	2.0
99.00883	7.8
101.02441	3.1
105.33102	1.3
109.84790	1.2
111.00893	2.4
113.02439	3.2
113.99596	2.2
115.00374	100.0
116.67405	1.3
117.03455	1.6
119.05026	18.1
121.02934	2.0
123.04479	2.1
125.02460	1.4
133.03014	1.4
133.06598	9.1
139.00377	3.3
145.02965	3.2
145.06604	2.3
147.04523	5.7
150.03224	1.4
157.01425	9.5
161.06064	2.6
162.03278	1.3
163.04007	1.2
173.06049	1.6
174.01706	27.0
174.03178	2.8
175.02481	71.0
175.03954	4.6
177.05571	17.5
187.04004	4.7
187.07677	1.5
189.05545	10.2
191.07130	10.3
205.05070	3.0
207.06602	2.3
215.07097	1.7
216.04271	3.0
217.05045	6.5
218.05742	2.5
221.04544	5.0
227.03648	1.8
233.04575	5.0
235.06007	2.3
259.06100	4.4
261.03998	5.5
277.05527	2.0
288.92551	1.1
291.08737	38.3
292.09100	1.8
293.06604	5.4
303.04987	1.4
321.06006	1.4
353.08853	5.7
365.08746	1.4
383.09909	6.8
397.11295	1.3
415.12335	4.2
453.13855	8.7
455.11902	40.7
456.12415	2.1
497.12897	3.7
515.14264	3.0
551.11774	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	551.1768
Annotation	Alboside I
Peak:m/z	Relative Intensity
59.01381	5.1
61.98832	8.3
69.74961	4.2
71.01379	5.2
72.99316	1.8
73.02969	0.8
74.49950	0.6
85.02982	2.1
87.00918	0.7
89.02469	2.2
93.03477	1.9
94.10434	0.8
96.96051	4.1
96.96977	1.7
101.02468	2.5
106.98462	0.7
113.02469	2.3
116.92878	1.4
117.48891	0.8
117.86672	0.8
121.02998	2.3
122.03735	6.0
123.04527	1.2
132.02168	16.2
133.03011	3.4
134.03745	20.2
135.03049	0.7
135.04570	1.0
136.01666	1.4
137.02504	1.0
148.04077	1.0
149.02457	3.1
149.06108	4.2
150.03226	57.3
151.03923	2.2
153.01974	0.8
153.05698	0.9
160.01660	72.5
161.02126	1.6
165.05571	89.2
166.05920	2.8
175.03995	75.6
176.04417	3.3
177.05597	0.7
178.02718	2.1
179.03444	0.9
180.04286	2.2
187.07486	0.8
190.06335	1.9
191.07135	2.2
193.05064	21.3
193.06815	1.5
194.05444	0.7
195.06633	2.1
205.05038	0.8
205.08742	2.0
208.07413	1.4
213.07822	1.4
227.07164	1.0
238.13542	0.8
256.01831	0.9
256.07483	1.0
271.09686	1.9
295.10941	0.9
323.07782	0.8
337.09280	100.0
338.09537	6.5
359.15057	8.7
360.15509	1.1
371.10712	0.9
371.15045	1.8
389.12067	1.4
475.17444	0.9
519.16376	3.4
551.17621	30.1
552.17487	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84407	0.9
59.01382	10.8
61.98831	100.0
62.10899	0.7
62.98549	0.8
71.01389	9.9
72.99282	1.1
73.02940	2.9
76.10887	0.8
83.01395	1.5
85.02947	3.7
88.66243	0.8
88.98808	2.6
89.02448	2.9
93.03451	1.4
95.01418	1.9
99.00917	1.3
99.04522	1.1
101.02448	5.8
101.83897	0.8
107.46813	0.8
108.02182	3.7
109.02967	1.2
110.97239	0.8
113.02431	4.0
119.03492	1.2
119.05045	1.3
121.02937	1.9
122.03750	5.3
123.04554	3.0
124.01652	1.7
125.02436	3.3
133.03047	0.8
136.01663	1.1
137.02455	1.0
138.03239	1.2
138.72298	0.8
145.02969	1.2
146.03702	0.9
147.04457	0.8
149.02461	10.2
149.99586	1.1
150.03223	30.4
153.05545	1.2
161.02417	1.0
161.04515	1.4
162.03261	4.1
163.04042	1.6
164.04785	3.0
165.05568	22.0
167.10648	0.8
168.00610	2.1
172.60394	0.8
175.03986	6.9
176.04657	1.1
177.05518	5.2
178.02721	3.4
179.03435	0.9
179.05638	0.8
180.04282	1.9
190.06326	1.1
193.05055	7.1
195.06631	10.8
222.05278	3.4
223.07542	1.0
265.08783	2.4
267.06494	1.2
279.06647	3.4
281.79132	0.8
291.06589	1.4
292.07330	2.4
293.08334	4.7
294.05255	0.9
294.08578	0.9
295.06320	4.4
296.06699	1.3
306.08939	1.0
307.06189	5.5
309.07968	1.3
310.08395	3.7
311.09109	1.9
322.08493	2.2
324.09970	1.3
325.10666	7.6
326.11194	1.2
327.12299	2.1
337.10852	10.1
338.11331	1.3
345.19205	2.4
353.23251	4.6
379.11948	1.1
415.11667	2.0
429.13425	1.3
443.11295	1.0
457.12531	1.1
458.13641	1.9
459.14548	1.6
465.12149	1.0
473.16068	11.3
485.15738	2.2
491.24530	2.1
503.17154	23.0
504.17398	3.1
521.18140	3.4
522.18744	1.1
551.20081	10.0
551.28101	1.6
551.31171	1.9
552.19891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72888	0.3
57.03442	0.3
59.01379	3.2
61.98831	6.4
62.11183	0.3
69.30421	0.9
69.30855	1.4
71.01381	5.3
72.99310	0.7
73.02937	2.2
76.18364	0.3
81.03480	0.3
81.11607	0.3
83.01395	1.0
85.02956	2.8
86.00089	0.3
87.00882	1.5
87.04527	0.6
89.02441	1.3
93.03468	1.0
95.01390	0.8
99.00871	0.6
101.02445	2.9
106.04266	0.4
108.02147	0.6
109.02949	0.8
113.02451	2.8
114.79894	0.3
115.03995	1.1
121.02940	2.0
122.03756	2.0
125.02399	0.5
131.03526	0.8
143.03494	1.7
149.02454	0.5
151.04039	1.8
151.05061	0.3
158.07356	0.3
161.04568	1.8
174.71797	0.2
183.08162	0.7
186.06688	0.3
189.86967	0.3
201.09201	1.1
205.07172	1.6
227.03526	0.6
227.07135	24.2
228.07756	2.8
243.10248	100.0
244.10580	5.6
255.03011	0.4
264.11551	0.3
284.03348	0.6
285.03970	0.3
285.11243	0.8
387.14267	1.5
405.15472	3.7
489.10175	1.1
551.21332	34.2
552.21558	3.9
552.29211	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
57.03440	0.6
59.01375	4.9
61.98830	7.3
63.24902	0.3
68.12748	0.4
69.48122	2.6
71.01389	5.9
72.99311	1.2
73.02938	2.0
79.39637	0.3
81.03453	0.4
83.01373	1.0
85.02955	3.1
87.00872	1.5
87.04544	0.6
89.02447	1.9
93.03459	1.2
95.01379	0.6
97.55075	0.4
99.00870	0.8
101.02444	3.5
106.04253	0.3
108.02172	1.4
109.02939	1.1
113.02430	3.6
115.04065	0.6
119.03509	0.5
121.02957	2.2
122.03741	1.9
123.04500	0.5
125.02441	0.7
125.96124	0.4
131.03487	0.9
136.05283	0.5
137.02461	0.6
143.03464	1.9
149.02419	0.6
151.03998	1.8
158.07283	1.1
159.03000	0.9
161.04575	2.5
169.06592	0.4
201.09203	1.4
205.07144	1.5
227.07146	23.2
228.07748	3.3
243.10252	100.0
244.10577	5.8
256.00034	0.4
284.03149	0.7
285.03793	0.5
285.11157	0.6
341.10550	0.5
387.14435	2.3
405.15475	4.5
405.24875	0.4
489.10587	1.1
491.24792	0.8
503.17230	0.5
551.21307	33.9
551.38544	1.0
552.21735	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	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13174	0.5
59.01387	5.4
61.98825	10.0
63.45610	0.6
70.35894	0.5
70.43346	0.5
71.01383	4.3
73.02934	1.0
75.00903	0.6
83.01395	0.9
84.19569	0.5
85.02957	1.0
87.00869	1.1
88.98801	1.5
89.02437	2.8
93.03466	0.8
96.96017	0.8
101.02435	2.4
103.18477	0.5
113.02461	1.7
119.03547	0.7
121.02968	3.2
123.04537	1.2
124.01717	0.7
124.05551	0.6
134.03761	1.3
135.04549	0.7
136.05243	0.5
137.02452	0.9
145.02956	1.5
147.04498	2.3
149.06090	0.7
150.03130	0.6
151.03996	0.9
153.01987	0.6
153.05569	1.0
160.01656	0.9
161.02481	1.0
161.04575	1.7
161.06026	0.7
162.03224	1.4
163.03984	3.8
165.01942	1.4
165.05560	0.9
168.04146	0.8
170.83980	0.5
173.02388	0.5
173.06003	0.7
174.03181	3.3
175.04005	16.5
175.50000	0.5
176.04749	3.8
177.05574	1.8
179.03474	1.1
179.05615	1.2
180.04265	8.6
188.04826	3.7
189.05600	6.7
190.02701	1.0
190.06345	18.2
191.03549	0.6
191.07132	11.9
192.04408	0.6
192.07439	0.6
193.05063	9.8
194.05803	4.4
195.06624	2.3
203.07159	2.1
205.05049	0.7
205.08708	16.0
207.06624	4.0
208.07413	14.3
209.07770	0.9
217.03528	0.6
221.06589	0.8
222.08968	2.0
223.09688	1.6
229.70583	0.6
299.09415	0.8
311.09534	1.2
344.12686	2.9
359.14996	100.0
360.15311	9.2
367.10193	0.6
370.36591	0.6
389.16199	1.9
503.16113	0.9
523.55988	0.7
551.17316	1.7
551.26819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	47.3
61.98830	100.0
63.99247	2.5
69.52515	6.8
69.52950	5.0
71.01385	23.5
72.99320	2.5
73.02943	7.7
75.00869	3.4
83.01419	3.9
85.02936	11.6
87.00880	8.7
89.02446	26.0
93.03465	2.2
98.20566	4.2
99.04531	1.7
101.02444	24.5
103.03987	6.8
109.39323	1.8
112.24262	1.7
113.02458	8.0
115.00381	7.9
116.92883	1.9
119.03506	14.5
123.04527	2.9
124.01746	2.5
125.02452	4.2
131.03539	2.7
134.03722	5.3
136.01649	2.5
143.03479	4.6
145.05112	2.6
149.02429	2.9
150.03178	3.7
151.03961	3.3
152.00980	2.5
160.01648	8.1
160.02844	1.9
161.02383	3.1
161.04591	3.7
163.04033	2.1
163.06128	39.1
165.05563	4.0
166.02733	3.4
174.01730	2.7
174.89470	1.9
175.02467	14.6
175.04019	10.9
179.03514	4.8
179.05475	1.8
180.04080	1.9
193.05113	4.3
194.02196	3.1
195.06717	5.0
205.05330	2.8
205.07086	12.5
209.04591	6.9
223.06081	2.8
227.07285	3.0
232.17114	2.0
241.04927	4.0
243.10254	8.5
247.08235	29.8
256.07452	13.1
264.09018	2.3
271.09790	18.8
307.09979	2.5
325.11276	3.1
337.09180	5.5
356.59949	1.7
371.14883	3.7
389.15329	3.4
433.14996	4.2
503.15619	5.2
533.66797	2.2
551.15149	2.8
551.22296	19.1
551.30280	2.7
552.23120	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	6.8
59.01104	5.9
59.01379	85.9
61.98826	100.0
69.23650	48.7
69.23980	7.3
70.31154	4.5
71.01382	51.6
72.99307	19.4
73.02957	16.1
73.59247	4.7
74.88652	4.7
83.01392	6.1
83.41705	4.2
85.02946	23.1
87.00871	12.9
89.02435	45.6
98.20670	10.9
99.00885	6.3
101.02441	52.0
103.04020	14.2
113.02457	29.8
115.03967	6.2
119.03508	22.4
123.04539	5.3
131.03554	5.7
140.04147	5.0
143.03488	14.3
145.05090	5.9
161.04541	12.3
163.06117	72.6
165.05682	6.6
167.76189	4.8
175.02504	8.0
179.05638	8.5
179.07126	18.6
195.06718	6.1
205.05341	7.3
205.07098	29.2
209.08226	7.5
211.10587	5.2
222.11346	5.3
247.08220	40.3
325.11523	6.1
399.18793	5.3
551.22028	39.7
551.30402	9.8
552.28931	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	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.9
60.99311	15.0
61.98829	6.8
69.79596	2.9
69.80025	3.4
71.01383	2.8
85.02958	1.1
87.00897	1.4
88.00387	2.9
88.98808	100.0
89.02444	67.7
101.02431	1.4
123.00903	1.6
124.01654	1.9
125.02456	1.3
129.00801	1.0
139.03990	2.0
140.10310	1.0
149.02428	1.8
150.03227	7.0
157.65396	0.9
161.04562	0.8
165.05569	7.4
173.10670	0.9
175.04012	1.6
195.06607	3.0
212.06589	1.2
234.44836	1.0
307.06039	1.4
325.10809	1.7
337.10803	3.3
337.30954	1.0
461.23953	1.9
520.26270	1.2
551.13501	2.1
551.21222	2.2
551.31396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01383	10.4
60.99302	15.5
61.98832	9.5
64.85751	1.3
69.03455	7.8
70.68134	2.8
70.68526	3.4
71.01383	10.9
72.99292	1.3
73.02940	3.9
79.01905	4.3
85.02955	5.9
87.00900	2.6
88.00405	2.2
88.98807	100.0
89.02442	32.1
95.01382	2.2
97.02969	4.1
101.02444	8.5
103.04002	2.6
107.01406	8.4
108.02197	6.7
113.02438	5.9
123.00907	1.5
125.02428	4.8
131.03514	1.9
135.00900	7.7
151.00339	8.3
152.01151	19.5
161.04565	3.8
163.04002	1.8
163.06100	2.3
165.05524	2.1
169.86008	1.9
242.05876	4.8
243.06621	20.6
245.72598	1.7
345.19193	5.6
351.21890	2.0
387.10471	2.0
443.11838	4.2
443.17996	1.7
491.25073	7.4
492.24701	1.7
551.17780	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	551.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64548	0.5
51.79607	0.4
55.01867	1.1
57.03448	2.1
58.00590	4.7
59.01380	93.6
60.01722	0.8
61.98831	49.1
64.12086	0.5
67.83549	0.5
69.59889	3.5
71.01382	67.5
72.01707	0.7
72.99308	5.6
73.02954	2.1
75.00892	0.7
82.80078	0.5
83.01391	2.3
85.02950	10.1
87.00867	5.3
87.04491	0.6
88.98792	1.0
89.02445	100.0
90.02740	0.7
93.64502	0.5
95.01389	3.5
96.48261	0.5
97.02975	0.7
99.00926	0.6
101.02448	31.7
101.90553	0.5
111.00909	0.6
113.02454	28.3
115.00409	0.5
115.03989	0.6
119.03504	37.0
121.02933	1.1
125.02438	1.5
131.03500	5.3
143.03494	6.5
149.04552	4.3
151.03873	0.5
159.54556	0.6
161.04543	9.5
163.06090	2.0
165.05449	0.6
179.05609	21.7
179.07190	1.1
205.07095	1.8
251.05600	0.8
333.06003	0.7
360.78732	0.6
371.20612	3.0
405.20917	1.1
425.01392	0.6
495.11386	1.1
551.27173	6.7
552.27173	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
59.41491	0.3
61.98831	100.0
69.19931	0.5
69.20338	2.4
71.01372	2.0
73.02951	0.6
74.07516	0.3
77.65376	0.3
85.02966	1.3
87.00866	0.5
89.02461	0.3
101.02474	1.1
103.04057	0.4
113.02450	0.9
122.03783	0.5
139.59659	0.4
140.42850	0.3
143.03554	0.5
147.80463	0.3
183.08209	0.4
199.96631	0.3
227.03563	4.6
227.07095	6.0
228.03979	0.5
228.07515	2.7
229.05017	0.4
243.10248	19.7
244.10583	12.4
245.11084	0.4
255.03006	9.6
256.03577	1.0
269.04556	0.5
283.02512	0.8
284.03268	10.7
285.04034	7.0
387.14731	0.4
405.15445	0.7
406.15836	0.8
412.81680	0.4
420.84216	0.3
429.08395	1.5
489.10406	14.0
490.10889	1.2
527.18640	0.4
551.21277	2.9
552.21698	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	552.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.03424	0.6
58.48866	0.5
59.01383	5.0
61.98835	7.3
63.56944	0.5
71.01391	4.3
71.01752	0.7
71.56685	0.6
71.57093	0.6
73.02933	1.1
83.01376	1.0
85.02940	2.2
87.00854	0.8
89.02437	1.8
90.42796	0.6
95.01355	0.7
96.96011	0.9
101.02448	4.0
109.47060	0.5
113.02425	2.0
114.30820	0.5
125.02393	0.8
161.04576	1.4
175.02586	0.7
211.03928	0.6
239.03551	0.6
245.02769	17.2
246.03140	0.7
253.05081	1.1
254.05933	0.9
255.02847	0.6
255.06664	3.3
256.01950	1.4
259.04297	3.6
271.04297	1.2
272.01367	0.8
273.02258	26.1
274.02646	1.2
274.20844	0.6
284.03323	0.6
286.03018	1.2
287.01398	0.4
287.03815	15.7
288.04614	84.2
289.04987	4.0
301.05450	3.5
302.06216	1.6
302.70746	0.6
303.06952	100.0
304.07263	6.0
390.10117	0.7
450.10226	1.0
465.12231	99.4
466.12634	8.5
511.23764	1.0
552.15289	5.6
552.28845	1.1
552.78912	0.6
553.16199	0.9
553.24689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22362	0.2
57.27361	0.2
61.98836	1.3
71.01379	0.4
92.02552	0.5
101.02460	0.3
107.03644	2.6
115.00399	0.3
123.03622	0.3
123.04528	6.0
134.04733	100.0
135.05164	1.5
144.75743	0.2
161.04565	0.4
175.02451	0.2
220.02890	0.2
228.79379	0.2
229.74226	0.2
237.01700	0.2
266.08984	3.0
443.48087	0.3
451.09116	0.3
558.62506	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08141	1.0
61.98829	66.0
62.96416	1.5
70.93187	1.7
78.95903	100.0
89.49140	0.9
96.96001	1.8
96.96967	5.0
98.07568	1.0
98.95557	1.2
99.92579	16.0
107.05914	1.0
109.49654	1.0
110.32487	1.1
110.98436	1.1
114.94930	8.0
115.92083	15.4
116.92142	1.4
116.92866	4.5
116.93616	0.9
119.98529	1.1
125.92872	1.1
135.25769	0.9
140.01190	1.0
141.26707	0.9
141.96014	13.7
150.97989	2.8
152.99586	49.3
163.89784	1.7
171.00638	1.4
173.93048	0.9
178.88412	8.3
179.89207	17.6
180.90022	7.9
181.90764	2.0
192.00618	2.0
194.02249	2.1
196.03746	1.5
196.89479	37.6
204.92368	2.8
205.93111	5.1
218.72202	1.0
218.91640	1.2
219.92354	1.0
222.93420	5.0
223.94220	2.3
235.91875	5.7
236.92598	3.5
255.23291	34.3
256.23541	1.3
277.95117	2.2
353.83734	0.9
409.23633	9.3
411.18637	2.3
435.12607	1.1
450.26276	2.6
452.27750	9.2
475.15433	6.6
491.15671	1.2
492.15814	7.2
493.16464	1.1
509.16180	2.6
516.18250	16.7
517.18420	3.0
534.19342	9.9
552.20325	44.4
553.20374	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	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21756	0.5
59.01365	1.8
61.98830	1.9
69.85976	0.5
74.34806	0.5
75.91006	0.4
78.95905	6.7
131.06212	0.5
142.81012	0.5
152.99591	1.1
168.04282	1.7
172.88742	0.5
175.23839	0.5
219.04494	0.4
224.06882	0.8
236.07457	0.4
242.08022	2.6
251.03499	1.0
270.57877	0.5
275.20062	0.8
277.21707	100.0
278.22064	6.1
294.05374	1.1
309.07678	1.3
421.25012	0.5
422.87790	0.5
502.29413	32.3
503.30154	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	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
61.98822	2.0
71.01377	0.6
71.13079	1.2
78.95905	31.7
91.26096	0.6
94.88716	0.5
96.96945	0.5
128.93143	0.5
152.99597	3.4
164.10692	0.5
168.04315	4.6
214.09743	0.5
224.06940	10.7
225.07423	0.6
242.07956	2.6
253.21758	2.6
259.20853	0.9
275.20267	0.8
277.21719	100.0
278.22031	6.6
471.08783	0.6
478.29419	1.0
502.29401	80.1
503.29764	7.0
552.25537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.66034	0.3
71.01394	0.4
71.45507	0.7
73.02965	0.4
75.43497	0.3
78.95905	1.2
78.98631	0.6
79.95766	0.8
80.96517	4.6
90.45727	0.3
94.98080	0.8
148.99132	0.5
164.98618	0.9
182.14293	0.3
225.00734	0.7
253.21779	0.8
254.22128	0.9
255.22725	0.6
256.22849	0.4
377.23218	0.4
552.20734	0.7
553.26862	8.5
566.16406	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.8
59.54110	1.3
60.99303	15.9
61.98827	18.2
62.11125	1.3
71.01377	4.6
75.00879	9.4
77.16383	1.4
82.56662	1.2
85.02946	3.6
88.98808	70.2
89.02443	4.4
94.10062	1.3
98.20629	4.5
98.95576	1.4
101.02445	5.1
107.01358	2.0
109.02937	1.7
111.00827	1.5
113.02432	3.2
125.02396	1.5
151.00363	9.1
163.00388	3.2
178.99834	4.1
227.03568	1.8
243.02901	5.4
245.04688	1.5
255.02994	17.3
271.02466	36.2
272.02954	3.4
285.79517	1.5
300.02753	67.1
301.03513	36.8
463.08820	100.0
464.09076	9.5
550.79346	1.5
553.28833	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87184	0.8
54.40518	0.8
59.01379	13.6
61.98820	7.0
71.01383	10.2
71.56650	1.2
72.99306	1.0
73.02991	1.2
75.00867	1.7
75.30405	0.9
85.02953	3.0
87.00869	4.5
89.02452	8.6
95.01420	1.0
101.02445	6.0
113.02454	5.6
117.03462	1.7
119.03500	2.2
121.02970	4.1
123.04509	1.8
131.03455	1.0
132.02188	7.1
133.02933	1.1
134.03741	37.0
135.02979	3.6
135.04491	1.2
137.02480	1.8
143.03525	1.7
143.59125	0.9
144.90614	0.8
148.82214	1.0
149.06058	5.4
160.01657	44.9
161.01956	1.4
161.04546	1.8
165.01901	3.7
175.03999	59.6
176.04610	3.0
178.02734	2.6
179.05568	1.3
191.07162	6.4
193.05045	48.6
194.05472	1.6
229.08672	4.4
230.22835	0.9
235.06108	15.7
265.07138	3.4
294.70163	1.0
295.07986	5.0
301.10657	2.0
304.83310	1.0
323.09909	1.2
337.09378	3.3
347.17490	1.1
355.10333	3.8
391.13773	1.1
397.03101	1.0
407.43417	0.9
432.77130	0.9
493.22919	3.1
517.15607	100.0
518.16241	9.2
542.66425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1506
Annotation	Vestitol-(5'->3)-7,2'-dihydroxy-4'-methoxyflavone
Peak:m/z	Relative Intensity
61.98827	16.6
62.87108	1.5
71.34946	3.3
83.99888	1.6
113.77857	1.6
121.02863	1.5
123.64483	1.8
158.51384	1.7
161.06075	3.1
173.02441	1.7
185.02451	4.0
187.04013	1.8
211.04015	2.8
225.05611	1.8
227.03403	2.9
231.33102	1.7
235.04019	2.8
251.03465	4.2
263.03339	3.0
277.04807	2.5
283.06259	2.2
293.04550	2.4
294.05396	6.9
309.07700	5.2
377.08234	2.0
393.07867	3.8
405.07800	1.8
407.09442	3.7
408.10046	4.8
423.12625	2.7
432.06085	2.4
436.09860	2.3
445.07111	2.4
447.08945	3.7
450.10791	2.5
451.12265	7.7
463.08017	3.8
464.09283	5.4
465.13428	3.3
466.14105	4.7
467.11185	2.7
477.09210	8.0
478.10638	6.7
479.11542	13.0
480.08850	5.8
492.12323	3.8
493.12573	12.9
494.14536	7.6
495.10751	12.5
505.09250	2.2
507.15039	2.0
509.12793	7.0
510.13156	7.7
521.12146	8.0
525.15564	36.1
526.15991	4.5
538.12714	7.4
553.15131	100.0
554.15460	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	553.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25819	0.9
52.90317	0.9
55.01865	1.4
59.01380	15.0
61.98833	6.9
65.03959	1.2
69.03471	1.1
69.74069	3.6
71.01376	13.5
72.99284	0.9
73.02939	3.7
75.00865	1.8
81.03466	1.3
83.01395	10.6
85.02943	5.6
87.00871	1.6
88.98817	1.4
89.02441	4.8
93.03436	2.3
95.01394	6.6
97.02969	5.5
99.00877	2.1
101.02434	7.9
101.03957	0.9
107.01376	2.0
108.02146	1.6
109.02943	3.0
111.00881	2.5
111.04518	1.9
113.02473	8.2
119.03545	1.5
119.05029	8.1
121.02966	9.0
123.00793	1.4
123.04530	1.7
125.02451	12.8
127.00362	1.7
131.03482	1.2
135.04523	1.2
137.02435	3.8
139.00435	1.3
139.04007	9.7
141.07094	2.7
143.03474	1.2
143.05005	2.0
145.02962	16.5
146.09200	1.0
147.04538	1.9
149.02383	2.4
150.03226	1.2
151.00381	1.4
151.03947	1.5
157.06573	4.3
159.02998	1.2
159.04482	1.8
161.04538	3.3
161.05962	1.9
163.03966	1.5
165.01904	3.7
165.05592	1.4
167.03510	14.9
169.06583	1.9
179.03519	1.5
181.05006	1.2
183.04501	1.7
184.05280	1.8
185.06075	8.2
187.02515	1.2
193.01407	1.6
195.06593	1.1
195.08150	1.2
197.04514	6.0
197.06084	2.6
199.07660	4.4
201.05536	3.1
203.07114	2.2
205.07034	1.3
207.11942	1.0
209.04340	1.2
209.06058	1.4
211.07596	1.0
213.09235	1.4
223.07591	3.3
225.05519	4.1
226.06400	1.2
227.07103	3.7
229.05067	8.8
239.07071	1.8
241.05013	3.4
241.08698	3.1
242.05756	1.0
243.06657	1.4
251.07077	3.0
253.05121	1.5
255.06613	4.2
269.07950	1.4
271.06113	16.6
283.06140	7.3
285.07687	1.9
297.07660	2.8
301.07224	6.2
311.05704	1.1
313.07178	100.0
314.07639	5.3
325.07239	5.5
331.17328	1.3
343.08221	72.1
344.08459	3.9
347.16953	3.5
355.08060	4.5
367.08347	1.4
373.09241	22.2
374.09616	1.6
379.10437	7.1
385.09164	2.6
409.11246	3.0
415.10370	9.9
427.11298	1.1
433.11307	14.3
434.11902	1.2
445.11298	6.7
463.12216	3.2
467.40332	0.9
493.22855	17.5
535.14783	1.5
553.15356	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	553.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	19.9
61.98822	3.1
62.96517	0.4
69.03447	0.5
69.18964	4.1
91.04993	0.5
91.05535	4.6
97.02939	0.4
115.05534	0.8
117.07110	47.4
118.07436	1.2
125.02463	1.0
128.37378	0.4
133.06581	1.5
135.04556	0.5
161.06079	100.0
162.06415	3.4
173.32948	0.4
187.04054	0.6
193.97530	0.4
205.05049	42.9
206.05377	1.4
224.83272	0.5
317.36087	0.4
324.39389	0.5
332.53134	0.4
357.21661	0.5
467.15622	1.3
553.15607	2.8
553.32056	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37588	0.4
57.86723	0.5
59.01379	16.7
61.98526	0.8
61.98830	10.4
71.01382	0.6
71.03734	0.9
85.02895	0.5
91.05531	4.2
115.05556	0.8
117.07108	49.5
118.07431	1.6
122.64463	0.4
125.02444	1.1
133.06596	1.2
135.04555	0.7
161.06081	100.0
162.06456	3.3
165.05588	0.5
167.03513	0.7
183.69894	0.5
191.24504	0.6
195.71387	0.5
205.05049	46.2
206.05359	2.1
301.25082	0.5
361.70309	0.5
467.15677	0.7
553.15509	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	553.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50003	0.2
59.01380	20.9
60.01746	0.2
61.98825	0.2
64.54506	0.2
65.22495	0.2
69.03439	0.2
69.61183	0.2
70.37791	0.6
71.01386	0.4
73.02940	0.5
85.02942	0.2
91.05530	8.3
92.05869	0.3
97.02965	0.5
101.02465	0.4
115.05559	1.0
117.07106	54.0
118.07455	1.6
125.02442	1.8
127.87586	0.2
133.06583	1.2
135.04509	0.6
143.03455	0.3
161.06079	100.0
162.06436	3.6
167.03423	0.3
185.04591	0.4
187.03992	0.9
205.05051	50.0
206.05385	1.8
288.64728	0.2
321.99658	0.2
380.74365	0.2
467.15518	1.4
486.05402	0.2
553.15643	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	553.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39216	0.5
58.85780	0.4
61.98816	1.5
71.26033	0.8
81.85793	0.4
88.78986	0.4
94.51537	0.4
104.95650	0.4
142.88821	0.4
157.76628	0.4
190.06293	0.4
195.63727	0.4
210.03215	1.1
213.05420	0.6
219.58075	0.4
220.54070	0.4
222.31795	0.4
225.05565	1.5
237.01823	0.5
239.03452	5.3
240.04276	7.5
251.03429	0.6
252.04282	2.6
253.05064	4.4
254.05832	3.9
255.06590	2.0
265.01434	2.5
267.06577	0.8
268.07410	4.9
269.08066	1.8
283.09760	3.9
293.00995	4.2
308.03244	6.1
389.08389	0.6
390.08701	0.6
404.06885	0.6
405.07623	1.2
406.08398	1.4
416.06699	1.0
417.07718	1.0
418.08377	2.4
419.09052	0.8
420.09879	0.5
421.10501	0.6
430.88174	0.4
432.10104	0.9
433.06659	1.5
433.10944	2.3
434.07614	4.4
435.07907	0.6
443.06174	0.6
444.06528	0.6
446.08151	0.6
447.12903	0.5
448.09259	2.7
449.10251	2.9
459.08746	1.0
460.09412	0.8
461.06183	0.9
462.07117	1.1
463.11746	3.3
464.12433	0.8
476.12573	3.1
477.09335	4.2
480.12177	1.0
490.10822	0.6
491.11331	4.6
492.12149	13.2
493.11996	1.4
495.14438	0.9
505.13123	2.3
506.13773	3.8
507.14499	19.4
508.14597	1.9
521.15930	0.8
523.14075	2.3
538.16357	12.0
539.16925	1.3
553.18695	100.0
554.18988	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	553.187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72260	1.0
61.98818	2.1
63.00602	1.0
69.43069	8.3
73.52605	1.0
78.95895	2.4
113.64376	0.9
137.10527	1.0
152.99588	3.3
172.69444	1.0
210.03136	1.8
211.03868	1.1
228.26590	1.1
246.98566	1.1
254.05792	2.1
255.06801	1.3
269.08124	1.1
279.23331	3.9
427.03152	1.1
433.07056	3.9
434.07947	3.3
437.10278	1.5
447.08862	2.3
448.09479	4.3
449.10193	3.0
450.07410	1.2
463.12027	5.1
465.09677	2.0
471.34921	1.4
475.08359	1.3
476.09091	10.8
477.09476	6.6
480.12094	4.5
490.10696	2.1
491.11420	18.0
492.12119	11.1
493.12366	1.2
495.14514	8.0
505.12830	5.9
506.13715	19.1
507.14374	11.8
508.11545	2.0
521.16028	29.0
522.16248	3.1
523.14069	5.1
538.16431	14.5
539.16522	2.9
553.18726	100.0
554.18994	11.7
554.27301	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	553.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28768	0.4
57.03451	0.6
59.01377	7.4
61.98830	24.3
71.01380	8.8
72.99312	0.9
73.02953	2.3
83.01392	1.7
84.02192	0.5
85.02963	3.3
87.00906	0.8
89.02455	2.7
91.05238	0.5
93.03457	4.7
94.84246	0.5
95.01388	0.6
99.00893	1.0
101.02439	5.3
105.03400	0.6
108.02199	1.6
109.02970	1.2
111.00830	0.5
113.02449	3.1
119.03500	0.7
121.02960	6.6
122.03746	14.3
123.04523	1.7
124.01693	0.8
131.03477	0.6
133.02963	2.1
134.03723	0.8
135.04521	1.5
136.01649	12.6
137.02406	2.0
143.03575	0.5
147.04576	0.8
149.02441	20.2
149.86470	0.5
150.03223	85.7
151.04027	15.7
160.05215	0.5
161.04521	1.5
161.05991	0.8
162.03241	1.0
163.04030	0.9
164.04800	3.8
165.05566	100.0
166.02795	0.6
166.05942	3.6
172.05307	0.6
175.04008	3.4
176.04776	0.8
177.05580	0.6
179.07208	1.0
180.04285	6.7
182.73895	0.4
189.05563	1.8
189.84430	0.6
190.06340	3.3
191.07083	0.8
193.04985	0.9
195.06619	58.3
196.06990	2.1
205.08743	0.5
228.70158	0.4
252.04080	0.6
255.06683	0.7
284.06677	0.7
299.09201	1.4
327.12369	5.0
343.11826	1.2
353.23282	1.0
357.13388	8.5
407.26523	0.5
475.17780	2.3
487.17554	1.0
505.18707	10.4
506.18991	1.2
523.71881	0.5
553.20465	1.5
553.29205	1.1
553.79626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96523	0.7
50.98670	0.6
51.16033	0.7
55.01870	0.8
57.03433	0.7
59.01384	9.4
61.98833	25.1
70.38544	0.7
71.01385	10.4
71.55968	0.7
72.01700	0.7
72.99325	0.8
73.02952	2.7
83.01371	1.1
85.02956	4.5
87.00865	0.9
89.02441	4.4
93.03442	3.3
95.01381	1.6
99.00883	1.5
101.02447	6.9
108.02195	1.7
109.02964	1.3
113.02446	4.0
119.03538	1.1
121.02962	7.7
122.03745	12.3
123.04539	1.3
125.02452	1.0
133.02939	1.1
135.04527	1.4
136.01669	14.5
137.02438	2.9
143.03561	0.9
149.02443	18.6
150.03229	88.7
151.04025	13.4
161.04544	2.3
161.05946	1.0
161.87265	0.7
163.04013	1.7
164.04799	3.5
165.05569	100.0
166.05901	3.4
172.37221	0.7
175.04002	2.4
177.05562	0.9
180.04256	6.0
189.05602	1.2
190.06346	3.2
195.06619	65.3
196.06927	2.4
243.05850	0.8
310.61063	0.8
312.10107	0.8
327.12418	4.4
342.11124	1.0
343.11807	1.8
357.13406	11.4
407.26566	3.1
472.26984	0.7
475.17444	2.4
505.18707	12.1
552.78748	1.1
553.20807	1.9
553.29028	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47539	1.6
55.01878	5.1
56.88823	1.7
57.03455	3.1
59.01381	35.9
60.99300	3.8
61.98524	3.5
61.98832	46.3
67.33468	2.0
69.24632	17.7
71.01385	60.4
72.99319	3.6
73.02946	18.9
75.00880	9.2
81.25902	1.8
83.01383	10.5
85.02950	28.7
87.00886	5.3
88.98815	25.0
89.02451	16.1
95.01382	5.2
99.00892	8.2
101.02449	47.1
101.48260	1.8
103.04087	2.0
111.00863	2.3
113.02444	23.3
119.03530	4.2
125.02442	4.0
143.03493	2.7
151.00368	2.3
159.02988	5.8
161.04572	30.9
163.06126	4.4
179.05556	2.7
199.86507	2.3
247.08127	4.6
255.03001	6.5
271.02444	9.2
300.02765	19.9
301.03387	10.4
324.81287	2.2
331.17661	11.8
455.90524	2.2
463.08548	20.7
464.09045	2.2
468.94934	2.0
493.22925	100.0
494.23099	10.3
517.26508	3.3
553.13599	1.8
553.23981	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	553.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03437	2.7
58.00589	1.8
59.01382	100.0
61.98829	8.9
67.49210	0.9
69.03444	2.2
69.73249	0.7
69.92427	4.2
71.01384	45.7
72.99302	5.1
73.02947	15.7
75.00864	2.2
81.03459	1.6
82.97172	0.7
83.01388	7.3
83.05016	1.1
85.02951	21.2
86.00092	1.1
87.00878	10.5
87.04528	6.5
88.98782	1.0
89.02447	29.8
93.03417	1.1
95.01392	4.5
97.02946	2.9
97.06605	6.5
99.00879	4.6
99.04520	1.6
101.02448	34.1
102.02721	1.1
103.04005	7.0
108.07198	0.9
109.02982	0.9
109.06594	3.7
111.00888	1.3
112.01673	1.5
113.02457	27.1
115.04003	3.6
115.07635	3.0
119.03509	13.8
121.83079	0.8
123.04593	1.0
125.02457	7.5
127.03999	1.7
131.03502	6.1
137.02449	1.2
143.02434	0.9
143.03520	14.4
145.05049	2.5
149.09711	1.6
151.04018	0.9
155.03517	0.8
157.72340	0.9
159.02956	1.2
161.04549	13.7
163.06140	11.6
167.03568	1.1
167.10815	1.3
179.05577	4.4
181.05078	1.3
185.11758	1.3
203.12865	4.5
205.07159	9.0
205.22719	0.8
211.09714	1.2
221.06595	2.1
229.07018	1.2
234.15887	1.0
247.08226	5.0
259.11859	4.1
277.12955	3.6
281.13956	2.5
289.09274	1.3
299.14996	8.6
311.14862	3.9
329.15997	2.6
347.17093	16.2
348.17538	1.0
365.18140	31.3
366.18289	2.2
407.18866	3.8
423.18719	3.2
435.18329	1.0
471.41306	0.8
475.21826	2.5
493.22934	31.4
494.23227	2.9
511.23938	58.0
512.24078	4.5
535.23877	1.2
553.25470	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	553.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.0
57.03455	3.8
58.00581	3.3
59.01381	34.1
61.98822	21.1
71.01382	62.5
71.33280	4.9
72.99290	3.8
73.02947	21.8
75.00892	3.6
81.56138	2.6
83.01378	8.5
85.02937	30.5
87.00854	3.3
88.98809	18.8
89.02424	13.9
95.01407	3.6
99.00888	9.1
101.02448	53.2
113.02457	26.3
119.03474	7.0
121.03006	2.7
125.02431	4.8
159.02966	5.9
161.04553	37.3
163.06131	6.7
247.08261	3.8
271.02530	8.4
300.02808	17.2
301.03241	6.4
331.17676	13.4
463.08820	20.4
464.08893	4.0
493.22888	100.0
494.23071	10.2
517.26495	4.0
553.24133	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	554.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.98833	100.0
70.87601	0.9
77.14622	0.8
98.20651	2.1
171.61075	0.8
260.16437	1.1
313.74170	0.8
417.07474	2.5
418.07996	1.1
431.09161	1.7
460.09506	2.2
476.08948	2.3
491.11444	19.7
492.11694	2.0
554.15887	1.1
555.16528	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	554.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27200	0.6
59.01380	5.7
61.98830	7.6
71.01388	3.5
71.01723	0.6
73.02972	0.9
83.01385	1.6
83.42986	0.7
85.02969	1.1
87.00880	1.3
89.02460	2.3
89.14126	0.7
93.03461	2.8
95.01377	1.5
95.05006	0.7
97.02952	1.5
98.80316	0.7
101.02450	2.4
108.02153	0.8
109.02950	2.9
113.02459	1.1
116.92873	1.2
117.03498	1.6
119.01411	1.2
119.03450	1.1
120.01260	3.9
120.02168	2.7
121.02950	1.3
123.04531	4.0
124.01599	1.1
125.02441	2.0
133.02977	4.6
137.02448	24.2
139.04036	0.8
141.26527	0.8
143.05017	1.8
149.02425	1.3
151.04002	0.9
157.06604	2.8
159.04457	1.6
161.06068	1.6
163.00420	3.4
164.01155	52.1
165.01939	10.7
167.05032	0.9
169.06557	1.3
177.01962	1.9
180.05817	2.1
181.06586	2.5
183.04501	1.1
185.06099	5.6
187.03989	1.5
197.06004	0.8
199.07674	1.9
203.07149	7.7
208.05235	0.8
209.06082	7.1
210.06422	0.7
211.03967	0.9
224.04601	1.1
225.05551	6.2
227.07054	3.5
228.04265	5.8
229.04973	1.7
242.05809	0.6
243.06567	3.0
253.05060	91.4
254.05359	4.2
255.06665	1.2
270.05283	2.9
271.06110	100.0
272.06451	4.7
273.07651	8.7
274.08005	1.1
300.09299	0.9
313.07111	1.3
433.11374	33.0
434.11649	2.7
501.65915	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98973	0.2
60.35537	0.2
61.98825	3.5
69.28274	1.0
69.28696	0.9
78.95902	16.7
82.94642	0.2
88.52192	0.2
92.02541	1.0
96.96028	0.4
96.96955	2.8
101.02378	0.3
107.03641	5.2
114.71741	0.2
120.26470	0.2
123.91899	0.2
125.03573	10.0
125.04499	0.5
126.03901	0.2
134.04726	100.0
135.05188	1.6
144.04533	0.7
157.66687	0.3
176.99611	1.1
180.04280	0.6
195.00636	5.9
195.06607	1.2
249.54150	0.2
253.05121	0.5
275.03329	0.4
293.04446	1.3
298.92072	0.2
321.04886	2.4
349.79538	0.2
357.12100	1.1
377.07556	0.3
419.08545	6.4
420.08994	0.6
428.09702	1.1
554.14020	14.9
555.14471	1.5
555.22052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98831	100.0
65.33466	0.2
65.67902	0.2
69.59196	1.6
71.01375	0.3
85.02936	0.3
121.03069	0.3
160.01662	0.3
167.03528	0.2
288.11331	0.2
335.48978	0.2
505.69064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
59.05909	0.5
61.98831	100.0
66.39705	0.4
70.18113	1.5
71.01392	1.5
75.00882	0.6
89.02454	0.6
93.03500	0.5
98.20029	0.6
101.02438	1.0
113.02432	0.7
117.03490	1.8
127.96243	0.4
137.02423	1.1
137.76654	0.5
140.57115	0.4
147.00774	0.4
149.02496	2.0
191.03557	0.6
217.01544	0.5
276.17514	0.5
285.73392	0.5
304.07153	1.2
311.05725	1.3
331.85223	0.5
346.71750	0.5
494.23135	0.8
555.15076	0.7
577.86548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.8
61.98830	100.0
69.18696	0.7
69.19111	1.8
71.01384	1.3
73.02959	0.3
79.62600	0.2
83.01390	0.3
85.02962	0.4
88.98813	0.3
89.02452	0.6
101.02463	0.9
113.02444	0.7
115.92096	0.2
116.92863	0.4
117.07134	0.3
119.05035	0.8
121.02983	0.3
136.01591	0.3
145.02956	0.5
149.02426	1.4
150.03242	2.1
151.03702	0.7
161.04674	0.3
161.06116	0.6
163.04033	0.7
164.04753	0.4
165.05557	2.2
166.05963	0.8
173.76915	0.2
181.05127	0.3
195.06610	1.3
196.06931	0.5
205.05095	0.4
284.03171	0.3
313.10321	0.3
328.12827	0.3
329.13690	0.3
383.76114	0.2
435.69733	0.2
447.09344	0.2
476.18060	0.7
506.19073	3.7
507.19958	0.4
553.79572	0.4
554.30554	0.4
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
59.01368	1.0
61.98824	0.6
65.68185	0.3
69.22621	0.8
69.23026	2.0
77.20127	0.2
78.95905	6.7
87.65215	0.3
89.45309	0.3
91.00170	0.3
91.42754	0.3
93.03839	0.3
134.34149	0.3
151.89450	0.2
152.99559	0.8
168.04337	1.7
190.47957	0.2
220.62714	0.3
224.06926	0.8
231.83395	0.3
242.08014	2.6
277.22009	0.3
279.23273	100.0
280.23630	6.7
362.72430	0.3
504.30927	30.1
505.31390	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	554.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06303	0.3
59.01374	0.6
61.98859	0.5
69.27496	0.3
69.34238	0.4
70.56511	0.6
70.56855	0.8
78.95906	22.6
94.02929	0.3
96.97001	0.4
102.21352	0.3
128.16454	0.3
130.75412	0.4
140.39986	0.3
152.99577	3.0
153.25145	0.4
168.04320	3.4
182.90327	0.3
224.06906	10.0
224.66513	0.4
242.08008	2.9
279.23285	100.0
280.23679	6.6
362.65878	0.3
476.76093	0.4
504.30966	67.0
505.31271	6.2
505.38565	0.5
554.19080	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.94593	0.4
70.41589	0.8
70.41961	1.5
71.01384	0.8
77.58614	0.5
78.98597	0.6
79.95752	1.4
80.96517	5.8
94.95965	0.5
94.98131	0.9
134.97514	0.5
152.98651	0.5
156.41873	0.4
164.98602	0.7
173.63390	0.5
225.00749	1.3
255.23398	1.4
256.23578	0.6
285.20789	0.9
286.21188	0.6
522.71967	0.5
553.41779	0.6
554.42365	0.9
555.28522	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	554.318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70576	0.4
59.01365	0.7
61.98830	100.0
69.31721	3.3
69.32135	0.7
71.01383	0.8
78.95919	1.0
79.95747	1.0
80.96520	6.2
87.00873	0.6
94.98106	1.5
103.60035	0.4
122.97591	0.6
125.02435	0.5
134.97522	0.5
164.98691	0.8
225.00792	1.5
255.23511	1.9
256.23636	0.8
258.24255	0.6
269.24847	1.4
285.20804	0.7
320.54837	0.5
480.30804	0.7
494.32843	0.9
554.41888	0.6
555.28406	12.0
555.36676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05254	0.4
53.31931	0.3
54.11348	0.4
59.01380	15.0
59.81521	0.4
61.98823	4.1
63.99261	0.9
66.08414	0.3
66.43000	0.3
68.20016	0.4
70.31030	1.4
73.28469	0.4
78.95901	4.8
80.96547	0.5
109.21881	0.4
114.05608	0.4
137.95280	0.4
152.99611	1.1
168.04333	1.1
205.44803	0.4
224.06831	0.6
242.07999	1.7
255.23288	100.0
256.23608	5.1
260.32364	0.4
279.23282	0.6
313.88751	0.4
348.23648	0.4
401.78751	0.4
457.24121	0.4
480.30951	29.4
481.31357	2.1
534.09680	0.4
554.26953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.6
61.98816	0.8
65.07301	0.3
71.45560	0.6
78.95907	17.9
79.95777	0.4
80.96529	1.2
89.65963	0.3
91.89784	0.3
94.98062	0.3
96.96971	0.3
122.98509	0.5
152.98532	0.4
152.99619	2.9
158.84917	0.3
160.26981	0.3
160.78885	0.3
162.36369	0.3
165.74930	0.3
168.04320	2.1
178.07774	0.3
194.05905	0.4
224.06943	7.7
242.07919	1.8
255.23297	100.0
256.23651	5.1
480.30942	56.0
481.31320	5.0
554.27155	1.3
555.28302	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.166
Annotation	Claussequinone-(4->5')-vestitol
Peak:m/z	Relative Intensity
61.98833	9.3
63.27014	1.1
64.71266	1.0
79.22327	1.1
95.62737	1.1
107.67665	1.2
125.15662	1.1
129.04488	1.1
135.21436	1.3
135.66782	1.1
170.92419	1.1
173.06160	1.3
175.04024	1.8
187.03969	3.5
201.05679	1.2
211.03946	4.9
215.03424	1.5
224.04919	1.9
226.02701	1.3
227.03548	1.4
230.05801	4.6
235.03940	1.4
241.05130	1.6
242.05730	1.5
251.03453	4.2
253.05093	2.6
254.05890	4.2
262.56018	1.3
266.05768	1.7
267.06445	1.4
280.03857	1.6
293.04504	1.6
294.05316	9.3
295.05826	1.9
309.07697	5.1
407.41583	1.3
420.09854	1.7
421.07053	4.0
435.08524	1.3
436.09650	3.4
448.10031	1.5
451.11975	2.1
453.13818	2.5
462.10614	1.9
464.08984	4.5
465.09354	1.6
479.11258	13.8
481.13315	1.6
492.08377	2.4
494.13712	6.0
496.14984	1.8
497.12515	4.7
505.12411	1.3
506.10156	2.6
507.10663	9.5
509.15781	5.3
511.17792	2.5
512.14294	1.9
521.12378	5.4
522.13110	11.5
523.13684	4.3
524.14716	1.5
525.11865	4.0
527.17029	1.6
537.15552	33.7
538.15729	2.0
540.14258	20.6
541.14581	2.5
555.16595	100.0
556.17236	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	555.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09402	1.5
55.01886	2.2
55.91206	1.7
59.01382	19.2
61.98830	38.6
69.42580	10.3
69.42978	2.9
71.01379	28.0
72.99308	5.0
73.02959	8.4
83.01384	5.4
85.02951	17.8
89.02448	6.2
93.03479	3.6
95.01376	3.9
98.19982	2.6
99.00872	4.7
101.02454	27.4
113.02451	11.5
119.03558	2.0
119.05019	4.1
121.02947	7.5
122.03739	13.4
125.02451	2.1
128.01582	1.7
136.01549	1.9
143.03485	2.8
149.02440	34.8
150.03224	100.0
151.03889	3.1
159.03012	2.1
161.04547	7.0
162.03204	2.6
163.04018	4.4
164.04767	8.7
165.05569	97.1
166.02740	2.2
166.05948	4.5
175.02469	4.2
180.04225	4.8
181.96533	1.8
187.03979	1.9
192.04291	4.0
195.06622	55.2
196.03752	9.1
196.06956	4.3
196.62250	1.7
235.21445	1.8
240.04295	3.1
251.03941	1.7
252.04272	3.2
255.06686	3.2
257.04541	2.3
268.03699	2.8
280.03799	6.3
281.04468	5.6
283.05692	2.0
284.03271	2.7
285.04041	2.1
294.05325	2.9
295.06079	14.4
296.03448	2.3
296.06876	6.1
297.07721	8.4
298.04852	3.9
298.08362	3.9
299.05563	15.4
300.06268	5.3
310.08502	6.1
311.05911	11.1
311.09018	4.0
313.07108	7.0
313.10782	2.7
314.07941	9.0
315.08810	4.4
326.07907	4.4
327.08463	2.2
328.09528	7.3
329.10355	24.5
341.10300	38.5
473.77625	3.7
477.15637	17.4
478.16342	2.1
489.15906	2.1
507.16620	28.7
508.17508	3.3
519.24133	2.4
525.17798	9.0
554.80377	10.2
555.18280	15.2
555.30670	4.1
556.19336	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	556.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49224	1.3
52.85370	1.1
59.01102	2.4
59.01382	32.7
61.98834	100.0
65.36373	1.1
71.01384	10.5
71.56144	1.3
71.56559	2.0
72.99319	2.1
73.02939	4.1
83.01372	2.1
85.02948	3.7
89.02452	14.0
95.01376	1.9
95.68762	1.1
101.02445	10.5
103.04005	1.9
113.02459	5.2
119.03515	4.6
125.02442	1.9
131.03532	2.7
143.03484	4.4
143.14458	1.2
145.04976	1.2
149.31940	1.4
161.04440	1.8
163.03876	1.1
163.06116	5.0
169.08873	1.1
195.06537	2.3
205.07173	3.0
223.06142	1.5
305.96927	1.2
383.49460	1.5
407.13898	1.2
407.19238	22.2
449.20309	21.4
556.25171	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	556.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34480	0.3
55.02267	0.3
59.01380	1.2
61.98832	100.0
69.28718	3.3
71.01385	0.8
72.99334	0.5
78.13045	0.4
80.12793	0.4
87.00880	0.4
89.02471	0.6
101.02459	0.6
106.22790	0.4
106.54591	0.4
125.02452	0.4
557.26227	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	556.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
60.41012	0.2
61.98832	100.0
63.71004	0.2
71.01395	0.4
71.56770	0.3
78.95927	0.2
85.02973	0.2
95.01402	0.3
95.47636	0.2
101.02458	0.2
133.21011	0.2
143.95946	0.2
145.02998	0.2
361.41165	0.2
496.09149	0.2
521.17047	0.2
557.25250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98829	100.0
62.38463	0.2
69.42612	2.2
71.01374	0.7
72.97623	0.3
75.46934	0.2
78.07772	0.3
80.18504	0.2
83.01406	0.3
85.02989	0.4
101.02465	0.5
104.12711	0.3
104.66243	0.3
106.06631	3.0
113.02481	0.3
113.82551	0.2
115.85578	0.3
150.03235	0.5
150.05594	3.0
163.03938	0.3
164.07137	0.8
165.05583	0.5
175.02481	0.3
191.03433	0.3
192.06708	0.4
194.04602	0.8
236.05742	0.4
240.64932	0.3
356.09888	3.0
357.10773	0.3
448.31421	0.3
531.15887	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.99266	0.2
63.99255	1.7
71.56822	0.3
73.02957	0.2
87.00834	0.2
89.98669	0.2
170.67656	0.2
189.78185	0.2
307.83594	0.2
322.17215	0.2
458.51324	0.2
464.03552	0.2
556.27167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.5
61.35902	0.7
61.98829	7.3
67.24018	0.7
67.41522	0.6
71.56332	1.3
71.56708	0.7
78.95471	1.3
78.95905	17.8
132.48358	0.7
132.85832	0.8
152.99576	3.1
168.04271	2.5
169.51311	0.6
193.58136	0.7
224.06891	7.0
242.05473	0.8
242.08032	2.1
270.98795	0.7
277.21704	1.0
278.21863	1.0
281.24844	100.0
282.25116	4.7
285.20496	1.6
286.21027	1.2
287.22183	2.7
288.22583	1.7
370.45663	0.8
506.32486	60.4
507.33014	5.3
556.28992	1.0
556.42981	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	556.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.51775	6.2
69.38305	44.5
72.12529	6.4
115.15674	6.1
223.93964	6.0
284.02844	6.0
314.02988	7.1
330.26523	6.3
437.68768	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	556.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.9
59.01380	100.0
60.94048	1.5
61.34780	1.3
61.98821	5.0
63.47005	1.3
71.56079	1.5
73.02936	2.0
83.01375	12.2
83.98692	1.6
89.02445	1.7
91.04010	2.8
93.93434	1.4
101.02422	3.4
119.03482	2.0
120.89495	1.2
157.05063	1.7
175.06129	7.6
178.76852	1.4
185.65651	1.4
193.07166	5.8
275.78766	1.6
279.23273	48.7
280.23660	3.1
281.80112	1.3
287.22961	1.4
353.01926	1.4
367.61697	1.5
437.29135	8.0
455.30142	45.7
456.30142	2.7
482.34729	3.5
497.31012	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	557.1815
Annotation	Biscyclolobin
Peak:m/z	Relative Intensity
57.35719	1.2
58.86889	1.2
59.01371	2.5
61.98824	7.2
69.82369	3.0
69.82784	5.6
79.01918	1.3
87.60722	1.4
93.03033	1.5
93.65487	1.3
106.97928	1.3
115.05513	5.8
116.72901	1.2
117.07063	2.0
129.38408	1.4
130.76132	1.4
139.95340	1.2
161.06047	2.5
187.03952	4.9
201.05623	1.4
213.05513	5.0
227.03502	2.3
230.05832	2.4
241.05157	8.2
242.05891	2.9
253.05164	2.6
255.06522	2.5
256.07446	9.9
257.07993	2.0
265.05096	2.3
266.05597	3.2
268.07587	1.3
282.05258	2.7
285.07654	6.0
295.06262	1.7
297.07507	2.5
302.04968	1.8
311.09030	1.8
419.09164	1.6
423.08762	2.2
453.13660	2.0
481.12830	3.8
483.18228	5.6
496.15152	1.8
499.13995	3.6
509.12405	3.8
524.14795	5.5
527.13580	4.2
539.17401	4.9
542.15985	9.7
543.15558	2.4
557.18152	100.0
558.18384	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	557.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	54.2
61.98829	100.0
71.01380	26.7
72.99301	6.0
73.02943	10.8
75.00861	4.7
81.03463	3.9
85.02941	13.6
88.16814	3.9
89.02444	20.5
93.03456	4.4
96.96008	4.4
98.20752	6.2
99.00852	6.3
99.04522	6.7
99.92580	4.5
101.02423	22.4
103.03940	4.2
113.02441	13.5
115.92061	5.9
116.92838	23.4
117.70174	4.9
119.03505	5.3
125.02397	4.5
129.10326	4.0
131.03473	4.2
134.79272	3.8
136.44232	3.5
137.02528	4.1
143.03514	4.3
145.02924	8.7
148.05289	44.4
150.03191	3.5
161.04456	4.3
163.03958	5.0
163.06226	8.1
163.07617	37.2
174.01654	30.8
175.02386	5.7
205.07103	6.0
224.40080	4.2
264.34784	3.4
285.03833	5.1
412.68619	4.6
471.18790	13.3
513.19647	5.6
537.15009	4.5
557.24567	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	557.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.3
57.03448	6.8
58.00587	3.4
59.01381	100.0
61.98832	28.5
68.77339	1.2
69.03443	4.9
69.52796	5.0
69.53223	6.4
71.01385	40.4
72.99312	7.9
73.02547	2.3
73.02946	33.0
75.00864	3.1
83.01385	10.9
85.02947	20.0
86.00096	3.8
87.00878	18.1
87.04518	5.1
89.02441	27.8
93.03475	4.0
95.01392	20.3
97.02944	2.4
98.20625	1.7
99.04501	5.9
101.02449	47.0
103.04011	22.0
104.24453	1.7
111.00884	6.6
113.02448	20.5
115.00375	1.7
115.04005	6.2
116.92871	2.3
119.03516	10.5
119.04970	1.9
123.04544	1.7
125.02450	6.2
127.03996	1.8
131.03525	14.7
136.05479	1.4
139.00392	13.1
143.03490	22.4
145.05069	6.0
149.02473	2.3
150.03230	6.7
151.04053	1.4
161.04544	5.6
163.06123	59.4
165.05551	8.4
174.01662	1.5
175.02426	2.9
179.05708	1.6
180.04329	1.7
195.06615	7.3
205.07176	26.3
237.07777	2.1
247.08250	8.0
251.07649	1.4
280.89075	1.5
331.12436	1.6
350.52710	1.6
405.46616	1.5
409.21210	2.2
509.17938	2.7
556.45428	1.5
557.18225	2.4
557.26019	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	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98830	100.0
65.49014	0.1
69.37696	0.9
70.23486	0.1
73.02956	0.1
78.95914	1.7
88.98833	0.1
110.98550	0.4
152.99588	0.2
156.93021	0.1
167.01137	1.2
204.98874	0.1
207.00464	0.4
237.59464	0.1
255.23265	1.7
256.23666	0.4
257.23941	0.3
258.24203	0.2
277.21698	0.2
467.21997	0.4
480.30783	1.0
483.32288	0.4
557.29413	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	0.8
70.06261	2.5
78.95908	19.5
83.81240	0.5
93.91554	0.6
98.20582	0.8
118.78666	0.7
130.55823	0.5
132.29883	0.6
134.01640	0.6
152.99580	2.6
166.55159	0.6
168.04361	3.1
168.67706	0.6
183.38182	0.6
224.06906	6.7
224.08955	0.9
242.07855	1.5
283.26413	100.0
284.26749	5.9
424.52206	0.6
499.05112	0.7
508.34045	62.1
509.34341	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	558.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.62941	1.1
71.04139	2.8
75.76608	1.3
115.69469	1.5
369.33743	2.2
417.96658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27763	3.1
55.00949	4.1
61.44606	3.4
61.98530	5.7
61.98830	100.0
62.76214	3.2
66.63430	3.7
70.21924	6.6
70.22323	6.9
98.20588	5.2
213.04944	2.9
462.94180	3.8
463.00659	4.1
586.16150	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	559.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.3
59.01379	18.1
61.98831	12.7
69.73734	1.0
69.74132	0.6
71.01396	2.5
72.99281	0.3
73.02949	1.2
83.01407	0.4
85.02949	1.6
87.00894	1.0
88.74194	0.4
89.02457	1.0
93.03482	0.6
95.05011	0.3
99.00834	0.3
100.02453	0.3
101.02450	3.4
102.31508	0.3
103.03960	0.5
105.03455	1.5
113.02454	2.0
114.15881	0.4
115.04015	0.4
119.03487	0.6
119.04971	0.5
121.02973	3.5
125.02450	3.1
131.03580	0.4
133.02943	0.8
135.04485	0.5
135.71532	0.3
137.02455	0.4
143.03511	1.0
150.03188	0.7
151.03996	5.0
161.02444	25.6
162.02788	0.5
163.04074	0.4
165.01938	0.6
165.05566	0.4
174.01689	0.3
175.03963	0.5
176.04787	16.1
177.05099	0.5
179.03493	42.6
180.03835	1.4
181.05118	0.7
191.05469	0.7
191.07124	7.4
193.04985	0.6
194.05836	46.7
195.06218	2.3
204.71642	0.4
205.07155	1.1
209.04678	2.8
209.08185	100.0
210.08522	4.2
215.03300	0.3
253.05049	0.5
307.10492	0.5
517.19214	10.6
518.19568	1.0
559.11639	0.7
559.19678	1.7
567.31677	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.4
58.00585	0.3
59.01379	9.4
61.98826	0.6
67.01868	0.2
68.89793	0.2
69.47093	1.4
71.01381	13.4
72.99308	1.6
73.02950	1.2
83.01385	0.7
85.02943	1.2
87.00875	25.7
88.01190	0.2
89.02424	0.3
99.00873	0.4
99.75466	0.2
101.02459	0.8
112.98809	0.7
113.02428	1.2
115.00372	43.1
116.00689	0.4
116.92831	0.3
127.00368	0.6
129.01912	0.2
131.03445	0.2
147.09384	0.2
148.71106	0.2
161.04543	0.2
175.02470	100.0
176.02826	2.1
198.81256	0.2
208.93399	0.3
243.01418	0.2
275.63998	0.2
347.59113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.2
59.01382	9.8
61.98826	1.6
67.01899	0.3
69.22735	1.7
71.01382	2.1
73.02962	0.6
74.33450	0.2
80.15372	0.2
83.01392	0.3
85.02962	0.9
87.00892	0.3
89.02443	0.9
95.01398	0.2
98.20681	0.4
101.02438	1.5
103.04012	0.3
113.02451	1.0
119.03497	0.7
123.04541	1.1
125.02473	0.3
143.03508	0.2
148.85345	0.2
151.04018	8.2
161.04587	0.4
163.06093	0.2
165.05560	0.2
179.03500	52.5
180.03813	1.4
193.05086	0.8
194.05840	67.1
195.06204	2.3
209.08192	100.0
210.08524	3.2
361.18741	0.4
455.55725	0.2
517.19330	2.5
559.20007	0.7
559.28143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09216	0.2
57.03455	0.4
59.01377	10.2
61.98831	1.8
65.67283	0.2
69.21364	2.8
71.01381	13.0
72.99308	1.7
73.02955	1.1
83.01388	0.5
85.02959	1.4
87.00874	25.4
89.02470	0.3
99.00897	0.5
101.02440	1.1
109.65165	0.3
112.98809	0.7
113.02453	1.2
115.00374	41.6
116.00728	0.6
127.00355	0.5
129.01833	0.3
156.86905	0.3
175.02469	100.0
176.02797	1.7
208.93407	0.4
220.98558	0.2
228.42296	0.2
273.53558	0.3
307.76834	0.3
456.42700	0.3
478.47043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
60.99317	16.9
61.98822	4.9
69.80959	8.8
78.95894	2.8
86.51040	1.6
88.98813	100.0
93.05715	1.5
112.98783	2.5
145.62981	1.6
154.48735	1.5
163.04123	2.0
255.23233	1.9
256.23688	1.7
426.91409	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	559.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92150	0.5
55.01882	1.9
57.03448	4.5
58.00596	2.3
59.01379	100.0
60.01687	0.7
61.98836	3.6
69.03453	2.4
69.71513	3.6
71.01384	40.5
71.05003	0.6
72.01723	1.0
72.99313	6.4
73.02948	28.5
75.00881	2.4
76.71497	0.5
81.03455	0.8
83.01388	8.1
83.05031	0.7
85.02953	17.7
85.03453	1.0
86.00101	3.1
87.00876	16.2
87.01367	1.1
87.04519	5.2
88.98809	0.6
89.02445	21.8
89.03008	1.0
95.01406	2.0
97.02971	2.1
98.19946	0.8
99.00883	3.1
99.04532	2.2
101.02443	46.3
103.04015	15.0
108.02167	0.7
108.25526	0.5
109.02968	0.8
113.02448	14.4
115.00353	0.7
115.04018	7.7
119.03509	10.5
119.05018	0.7
123.04536	1.0
125.02448	4.8
127.04023	1.3
131.03505	18.5
135.04517	1.2
137.02397	1.1
143.03502	22.3
145.02972	0.6
145.05081	5.3
154.99919	1.7
155.03534	0.8
161.04561	6.2
163.06122	43.2
164.01231	0.9
164.06375	1.1
167.03502	1.5
175.02399	1.0
176.01082	1.0
179.03490	0.6
179.05598	1.6
191.03502	1.9
203.05603	2.1
205.07169	42.5
206.07489	1.1
209.08147	0.6
247.08215	13.1
265.09366	2.2
289.09500	0.6
307.10355	0.7
400.18188	0.6
413.21832	1.3
517.26575	1.8
559.15039	0.9
559.27704	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	559.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.6
57.03442	3.5
58.00593	2.1
59.01377	100.0
59.76643	0.4
61.98830	1.5
69.03456	1.5
69.19977	4.6
71.01380	33.0
71.57214	0.4
72.01720	0.5
72.99298	3.4
73.02945	21.2
75.00875	0.9
83.01385	4.4
83.05016	1.0
85.02950	18.7
86.00084	2.1
87.00871	9.7
87.04505	3.8
89.02441	18.2
90.02692	0.4
95.01409	1.7
97.02942	1.3
98.19928	1.1
99.00877	3.2
99.04515	0.9
101.02439	36.4
102.02815	0.4
103.04008	11.4
109.02927	0.7
113.02451	12.2
115.04002	7.0
116.92906	0.4
119.03490	10.2
125.02412	2.3
127.04010	1.6
131.03493	12.3
143.03490	18.0
145.05038	4.3
155.03543	0.6
159.02992	0.5
161.04550	6.0
163.06114	42.4
164.06451	0.5
179.05643	1.1
203.05620	1.4
205.07158	34.2
206.07616	1.0
209.15466	0.5
247.08199	16.3
248.08517	0.7
265.09256	3.1
307.10471	1.4
325.11377	0.6
371.20767	1.2
413.21948	0.7
488.93701	0.6
517.26465	8.8
518.26776	0.5
559.27545	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	559.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93744	0.9
59.01104	1.0
59.01381	16.9
61.98570	0.9
61.98836	9.4
62.91717	0.8
63.71048	0.6
71.01386	3.6
73.02958	1.1
78.95911	3.5
81.71516	0.9
83.01370	1.1
87.00868	0.9
89.02422	3.6
95.38327	0.7
98.20832	0.8
101.02448	3.1
113.02464	1.4
116.75507	0.7
140.01199	0.7
161.04535	1.5
196.03796	1.4
235.08167	2.1
253.09277	16.4
263.20139	100.0
264.20438	7.3
277.21735	7.3
474.26447	5.1
559.23553	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.7
59.01383	11.8
61.77789	0.9
61.98829	11.0
68.32533	0.9
69.55119	0.9
69.80457	3.9
71.01388	10.5
72.99297	1.2
73.02957	2.8
79.95726	1.1
81.03460	4.5
81.74407	0.8
82.95403	1.1
83.01381	4.8
85.02940	4.4
87.00856	1.6
89.02439	12.1
91.52383	1.0
93.03445	1.2
95.01410	1.5
95.05030	1.7
96.96012	49.9
97.02918	1.1
98.20593	2.2
99.00848	1.7
99.80132	0.9
101.02427	7.3
103.04040	1.7
113.02433	4.8
116.31867	0.9
119.03477	1.5
119.05025	1.5
121.02937	1.4
123.04533	33.9
124.04800	1.1
125.02456	13.3
133.05093	1.7
133.06660	1.1
137.02448	1.4
143.03560	1.0
147.80560	1.1
149.02388	1.1
149.06099	1.1
151.00339	2.3
151.04019	4.1
153.09207	2.9
159.02983	1.3
161.04512	4.6
163.03946	1.3
163.06163	1.4
166.02675	1.5
167.03491	100.0
168.03769	3.1
175.02609	1.1
177.01765	1.2
179.03499	1.2
191.03496	3.9
193.05031	2.9
203.28348	1.0
205.05051	2.1
205.12415	1.1
209.04492	2.1
254.75435	1.1
255.02910	1.9
283.02435	4.3
285.04010	1.5
309.59824	1.1
325.56866	1.4
355.10376	3.7
367.10577	1.4
385.18478	4.9
417.11862	1.5
457.13947	1.4
475.14145	1.1
517.15576	73.5
518.15851	6.8
560.79828	1.1
561.15631	5.7
561.29218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.7
59.01383	11.8
61.77789	0.9
61.98829	11.0
68.32533	0.9
69.55119	0.9
69.80457	3.9
71.01388	10.5
72.99297	1.2
73.02957	2.8
79.95726	1.1
81.03460	4.5
81.74407	0.8
82.95403	1.1
83.01381	4.8
85.02940	4.4
87.00856	1.6
89.02439	12.1
91.52383	1.0
93.03445	1.2
95.01410	1.5
95.05030	1.7
96.96012	49.9
97.02918	1.1
98.20593	2.2
99.00848	1.7
99.80132	0.9
101.02427	7.3
103.04040	1.7
113.02433	4.8
116.31867	0.9
119.03477	1.5
119.05025	1.5
121.02937	1.4
123.04533	33.9
124.04800	1.1
125.02456	13.3
133.05093	1.7
133.06660	1.1
137.02448	1.4
143.03560	1.0
147.80560	1.1
149.02388	1.1
149.06099	1.1
151.00339	2.3
151.04019	4.1
153.09207	2.9
159.02983	1.3
161.04512	4.6
163.03946	1.3
163.06163	1.4
166.02675	1.5
167.03491	100.0
168.03769	3.1
175.02609	1.1
177.01765	1.2
179.03499	1.2
191.03496	3.9
193.05031	2.9
203.28348	1.0
205.05051	2.1
205.12415	1.1
209.04492	2.1
254.75435	1.1
255.02910	1.9
283.02435	4.3
285.04010	1.5
309.59824	1.1
325.56866	1.4
355.10376	3.7
367.10577	1.4
385.18478	4.9
417.11862	1.5
457.13947	1.4
475.14145	1.1
517.15576	73.5
518.15851	6.8
560.79828	1.1
561.15631	5.7
561.29218	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
58.00589	0.8
59.01377	14.5
61.98830	15.9
65.17760	0.5
69.36555	4.3
71.01379	8.8
72.99306	0.6
73.02940	3.0
77.30004	0.6
83.01385	1.6
83.05041	1.9
85.02962	4.1
87.00861	0.9
89.02427	4.5
93.03458	1.0
95.01398	1.7
97.02964	0.9
99.00877	0.8
99.04533	0.7
101.02448	7.1
108.02161	0.9
113.02440	4.1
119.03497	1.3
121.02964	6.0
122.03745	1.7
123.04498	1.0
124.01713	0.7
125.02471	1.1
131.03502	0.6
134.03755	1.7
136.01665	79.1
137.02251	2.2
137.09688	0.7
138.03275	0.7
143.03496	0.9
149.06041	0.9
151.04007	100.0
152.04315	3.0
154.02728	0.6
160.05331	0.7
161.04572	1.8
162.03313	0.8
163.04027	1.8
163.06091	1.1
165.05473	0.6
175.03961	0.9
175.07664	1.6
176.04695	0.8
177.04094	1.4
177.05534	0.9
179.03551	0.9
179.05602	1.4
187.03860	0.6
193.05090	0.7
255.10060	0.6
256.07318	0.7
266.08395	0.6
311.12772	1.2
322.08188	0.7
342.11124	4.3
357.13412	85.4
358.13785	7.3
373.95032	0.5
461.23761	1.9
470.31705	0.6
561.28217	3.5
561.77887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.4
58.00589	0.8
59.01377	14.5
61.98830	15.9
65.17760	0.5
69.36555	4.3
71.01379	8.8
72.99306	0.6
73.02940	3.0
77.30004	0.6
83.01385	1.6
83.05041	1.9
85.02962	4.1
87.00861	0.9
89.02427	4.5
93.03458	1.0
95.01398	1.7
97.02964	0.9
99.00877	0.8
99.04533	0.7
101.02448	7.1
108.02161	0.9
113.02440	4.1
119.03497	1.3
121.02964	6.0
122.03745	1.7
123.04498	1.0
124.01713	0.7
125.02471	1.1
131.03502	0.6
134.03755	1.7
136.01665	79.1
137.02251	2.2
137.09688	0.7
138.03275	0.7
143.03496	0.9
149.06041	0.9
151.04007	100.0
152.04315	3.0
154.02728	0.6
160.05331	0.7
161.04572	1.8
162.03313	0.8
163.04027	1.8
163.06091	1.1
165.05473	0.6
175.03961	0.9
175.07664	1.6
176.04695	0.8
177.04094	1.4
177.05534	0.9
179.03551	0.9
179.05602	1.4
187.03860	0.6
193.05090	0.7
255.10060	0.6
256.07318	0.7
266.08395	0.6
311.12772	1.2
322.08188	0.7
342.11124	4.3
357.13412	85.4
358.13785	7.3
373.95032	0.5
461.23761	1.9
470.31705	0.6
561.28217	3.5
561.77887	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26733	0.7
59.01392	0.8
61.98831	74.6
66.07899	0.9
70.14121	2.9
71.44415	0.8
78.95903	9.0
96.96957	0.8
111.49417	0.9
139.72948	0.8
140.01184	2.6
141.28456	0.8
149.12482	0.7
149.69736	0.9
152.99568	1.3
213.81596	0.9
214.04851	3.2
247.94130	0.7
279.23288	100.0
280.23645	7.3
364.21054	3.4
476.27792	25.1
477.28372	1.8
561.25500	16.6
562.25909	1.4
563.79590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
55.50314	0.5
57.03442	3.3
58.00600	5.5
59.01380	100.0
60.01719	1.0
61.98832	14.8
69.03465	1.8
71.01382	72.4
71.56236	0.8
72.01728	0.7
72.99310	8.1
73.02948	16.2
75.00884	1.8
75.24576	0.6
81.03467	0.9
83.01388	8.4
85.02954	27.4
86.00115	1.7
86.03299	0.7
87.00872	11.4
87.04516	2.5
88.07605	0.6
89.02444	71.5
93.03542	0.6
95.01376	5.4
97.02963	1.7
99.00896	5.0
99.04536	1.7
101.02444	61.6
101.06107	0.7
103.04014	6.5
109.03001	0.6
111.00879	1.0
112.26626	0.6
113.02451	31.4
115.00411	0.9
115.04021	3.1
116.92803	1.3
119.03506	34.0
120.03865	0.6
123.04515	3.4
125.02462	3.5
127.04002	0.9
129.01968	1.0
131.03516	8.4
134.03758	0.9
136.01669	0.9
139.00414	0.8
143.03505	13.2
145.03030	1.0
145.05057	3.1
149.02426	0.8
149.04568	2.3
151.03999	1.1
155.10771	0.8
159.03030	2.3
160.01657	0.8
161.04559	14.2
163.06122	21.1
163.38890	0.6
171.10333	1.0
175.02589	1.5
175.03947	1.4
179.05606	9.8
187.04005	1.5
193.05045	1.3
205.05290	1.0
205.07156	16.0
205.09045	1.2
211.04047	1.8
221.06697	1.2
227.03552	0.7
247.08218	6.7
255.03064	1.9
284.03253	1.9
285.04016	2.3
295.06244	1.0
315.16061	1.0
319.19107	0.9
363.18085	5.1
389.21667	0.9
399.23911	2.5
405.18964	0.7
415.23343	4.7
416.23404	0.7
441.99097	0.6
489.27045	1.8
501.30774	2.3
517.30194	4.4
519.25104	0.9
525.23468	5.7
526.23456	0.8
560.78912	0.6
561.16272	1.4
561.29218	30.8
562.29700	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	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33195	0.9
55.01883	10.1
57.03452	8.9
58.00583	3.0
59.01380	82.3
61.98833	12.7
69.03447	1.3
69.19023	3.2
69.19434	7.8
71.01384	100.0
72.99288	3.4
73.02950	30.9
75.00861	1.3
81.03458	1.3
83.01389	17.7
85.02953	50.7
87.00887	8.6
89.02441	40.1
95.01381	8.4
97.02943	3.5
99.00877	12.0
99.04508	4.2
100.01175	1.2
101.02444	75.6
111.00879	1.8
112.01627	1.1
113.02450	48.0
113.03252	2.8
114.02782	1.6
115.04015	1.2
115.92048	2.8
119.03513	16.5
125.02442	4.3
129.01942	2.5
129.11348	1.0
131.03470	7.0
134.03668	1.2
137.02460	1.1
143.03487	6.8
146.00031	1.1
149.04573	1.4
159.03009	7.7
161.02470	2.2
161.04556	37.1
163.06081	2.1
167.03529	2.3
167.14363	1.1
179.05621	15.6
193.05045	17.8
194.05486	1.4
205.07111	2.1
221.06670	22.0
229.82339	1.2
239.22119	1.2
263.07739	6.1
384.29626	1.1
399.18521	2.0
399.23880	78.2
400.24338	5.5
561.29132	82.2
562.29559	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	561.2915
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.01879	4.9
57.03453	6.0
58.00593	2.5
59.01379	58.1
60.01727	0.9
61.98831	3.9
68.04004	0.8
69.22449	7.0
71.01382	64.7
72.01722	0.8
72.99300	2.2
73.02948	15.7
75.00887	2.2
83.01389	9.3
85.02950	28.6
87.00863	3.8
89.02447	30.5
95.01395	6.2
97.02943	1.5
98.20657	1.7
99.00889	6.7
99.04516	1.4
101.02447	42.4
111.00868	2.9
113.02448	26.2
119.03503	13.3
125.02444	1.5
129.01958	3.4
131.03473	1.5
135.02972	2.4
143.03481	3.3
149.04570	1.4
159.02997	4.0
161.04559	14.7
179.05598	5.2
202.96039	0.6
221.06709	1.3
399.23862	27.4
400.24286	2.6
453.03116	0.7
561.29150	100.0
562.29419	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	561.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76012	1.1
59.01379	13.3
61.98832	20.0
66.27836	1.3
71.01368	2.5
71.26048	2.3
78.95906	13.7
86.09141	1.1
89.02450	3.7
94.61740	1.3
101.02431	3.1
113.02441	1.6
140.01137	1.3
152.99565	3.8
161.04565	1.8
186.61473	1.3
196.03838	1.9
214.79808	1.2
219.68919	1.1
242.05890	1.3
253.09268	14.7
265.21722	100.0
266.22073	6.5
279.23306	24.2
280.23642	1.4
476.27780	17.1
477.27930	2.0
483.32864	1.4
561.25433	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	561.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84346	0.7
59.01377	16.0
61.98831	1.6
69.52639	5.1
71.01379	2.5
73.03839	0.7
74.21143	0.7
78.95922	5.1
89.02448	2.7
96.96918	0.8
98.20618	1.5
101.02415	3.2
104.65385	0.8
109.12894	0.7
113.02458	1.2
119.03515	1.4
161.54883	0.9
166.31366	0.7
231.42918	0.7
235.08249	1.6
253.09282	13.5
265.21710	100.0
266.22101	5.4
277.21713	2.4
278.22028	1.8
279.22180	1.4
476.27753	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	562.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57276	0.3
57.03447	2.7
57.92402	0.3
58.03788	0.5
59.01100	0.5
59.01378	6.8
61.98830	100.0
71.01379	3.5
71.55845	0.5
72.99322	0.4
73.02955	0.6
81.90774	0.3
83.01388	0.4
85.02967	1.8
87.00874	0.5
89.02455	1.3
99.00895	0.3
99.04518	1.4
100.04860	0.5
101.02428	2.4
102.02795	0.4
103.04035	1.0
113.02458	0.9
119.03514	0.7
125.02463	1.0
136.01711	0.3
146.04407	0.3
151.04021	0.5
155.04765	0.3
161.04539	0.5
163.06146	0.4
198.06371	0.3
213.05524	1.4
225.05518	1.5
226.05945	1.2
240.07956	2.1
241.05095	2.9
241.08206	1.7
255.06760	1.0
255.10297	2.4
256.07483	6.4
256.10654	2.6
259.76779	0.3
271.09750	4.4
279.46460	0.3
297.24387	0.4
315.25494	1.0
417.15643	1.3
459.29492	0.4
477.30945	1.1
480.77271	0.3
519.31763	2.9
561.79138	0.3
562.29303	0.4
563.21460	3.0
563.34387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.7
61.98832	100.0
71.01372	2.3
81.93584	0.8
85.02940	1.1
89.02459	1.2
101.02412	1.0
113.02429	2.3
119.05029	15.4
163.03998	10.4
180.15364	1.2
229.44537	1.1
259.42661	1.0
276.91254	1.0
424.36084	1.1
456.28384	1.0
461.08337	1.0
477.94501	0.9
563.19635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91864	0.4
61.98831	100.0
69.42232	2.1
69.42643	1.1
80.96526	0.5
106.50062	0.4
121.02953	10.3
121.03746	0.8
136.59879	0.5
179.03519	7.9
278.98132	0.5
351.95804	0.4
406.46201	0.4
422.90143	0.5
475.10684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31160	0.7
59.01367	2.9
61.98832	45.5
70.05653	1.4
70.06048	2.2
73.07681	0.8
78.95899	1.2
79.95754	1.2
80.96507	5.6
87.00875	0.8
89.07737	0.8
98.19888	0.8
103.54436	0.7
121.02957	100.0
122.03331	2.2
164.98589	1.0
173.50392	0.8
179.03497	86.8
180.03790	2.7
181.06625	2.4
183.58673	0.8
211.03906	1.0
225.05544	1.7
239.07037	0.9
255.06667	0.9
265.21698	3.7
269.41653	0.7
277.21866	1.2
313.07327	1.6
393.67328	1.0
421.80618	1.0
475.10431	4.9
490.29428	0.9
563.11932	3.4
563.24512	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	563.1401
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
59.01374	1.2
61.98803	0.3
63.02385	0.4
65.00323	0.5
69.28043	1.8
69.28456	0.5
73.02934	0.4
76.53344	0.3
83.01390	0.4
85.02952	0.4
89.02448	0.4
93.03468	0.3
98.20629	0.6
101.02448	0.5
107.01418	1.4
114.93368	0.3
132.02170	1.1
135.00887	1.0
147.98181	0.3
151.00320	1.7
163.00377	0.9
164.01128	0.6
175.02556	0.3
178.99843	1.4
180.34250	0.3
183.04460	0.4
185.02501	0.3
185.06033	0.6
187.03949	0.8
189.05505	0.3
190.99779	0.3
199.03969	0.6
200.04750	0.5
211.03937	2.1
213.05492	0.5
227.03471	33.6
228.03893	1.7
229.04988	1.3
239.03511	0.9
239.16650	0.3
255.02963	66.8
256.03522	6.5
257.04465	1.0
283.02444	1.1
284.03235	100.0
285.03888	17.5
286.04340	0.6
399.07184	1.2
411.10663	0.3
417.08133	0.4
475.30957	0.2
563.14001	74.2
564.14343	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	563.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73156	2.5
55.01873	4.8
59.01387	45.1
61.98822	5.9
62.80700	2.6
62.93981	2.6
71.01381	54.6
71.55624	5.4
72.99300	9.5
73.02930	6.2
75.00880	4.2
77.25238	2.5
78.95924	3.1
80.38292	2.4
83.01383	33.7
83.73663	2.3
85.02953	11.2
86.00348	2.6
87.00871	8.2
88.98809	7.7
89.02451	44.5
95.01389	3.3
95.80561	2.7
96.35329	2.6
96.96007	8.8
97.02897	4.4
99.00887	29.2
101.02427	26.9
109.02894	2.9
111.00864	13.1
113.02456	22.6
119.03491	17.3
124.98804	10.5
125.02459	4.3
127.00374	70.9
129.01947	18.1
131.03426	2.9
134.04747	10.4
135.04543	15.4
143.03497	4.7
145.01425	18.5
149.02448	6.7
149.04474	3.0
151.04018	3.6
154.99814	6.9
157.01405	7.4
161.02475	15.4
161.04602	6.2
161.05954	2.9
163.04015	94.7
163.05406	5.2
164.04823	13.9
165.05566	5.6
166.02739	5.7
173.00905	23.9
176.01147	4.9
176.04788	10.5
177.01979	13.6
178.06374	58.5
179.03517	18.9
179.05585	17.9
179.07086	9.7
180.04192	2.7
181.05052	4.4
187.02483	4.9
187.04054	3.7
189.05502	3.0
191.03490	31.9
191.07109	7.1
192.04190	4.3
193.08638	8.2
194.05807	10.6
200.44479	2.7
203.03566	5.7
205.05032	9.2
206.05772	9.6
209.08199	9.8
215.03561	5.1
219.02956	5.3
219.06416	3.3
221.04556	3.8
221.08159	9.4
231.02942	4.1
235.06036	4.3
236.74707	2.7
237.07603	10.4
238.04913	5.9
246.05284	5.2
247.02223	2.9
247.06061	3.4
249.07620	3.2
261.07578	5.3
262.05029	4.9
265.07086	15.9
274.04993	3.2
277.07257	27.4
289.07169	14.3
291.08704	12.3
305.05194	2.8
307.08282	23.1
308.08167	2.6
335.02557	3.7
335.06235	38.5
336.06961	100.0
368.30292	2.9
487.14557	51.4
488.15250	4.3
563.16077	91.5
564.16339	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	563.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42245	0.8
55.01860	0.9
56.95392	0.7
57.03436	1.2
59.01370	3.6
68.99801	1.1
71.01382	10.1
71.55324	1.1
72.99300	1.7
73.02936	5.2
83.01385	2.5
85.02953	4.9
86.06016	0.9
87.00875	33.4
89.02419	1.6
95.01385	5.4
97.02928	1.3
99.00890	7.5
99.35723	0.8
100.01653	0.9
101.02420	3.9
111.00892	6.6
112.98813	7.8
113.02432	1.8
115.00365	2.2
123.00883	8.5
124.01672	1.3
129.01920	3.1
131.03467	1.3
134.04695	2.0
138.03226	5.9
142.99872	6.9
145.01393	2.4
147.03049	0.9
147.04465	1.6
149.02390	1.2
149.86838	1.1
151.00412	1.1
151.04015	2.2
153.05589	6.5
158.77505	0.7
161.02449	8.9
163.04041	7.9
164.04832	6.4
165.38972	0.8
166.02698	3.7
173.00908	37.1
174.01709	8.3
174.03062	1.5
175.02614	1.1
175.03984	3.8
176.04791	8.2
177.01923	1.8
177.05409	0.9
178.06352	9.9
179.03525	12.0
179.05070	1.3
179.05655	1.6
179.07114	11.7
181.05078	6.1
187.04010	1.2
188.01018	0.9
188.04825	1.7
190.02733	1.9
191.03523	10.6
191.05258	1.5
191.07143	5.6
192.04198	1.7
193.04971	1.6
193.08708	13.0
194.05844	13.6
195.06476	0.9
202.02634	0.8
203.03424	4.8
204.04224	1.2
205.05058	5.0
206.05814	7.6
207.03008	1.1
207.06508	1.6
209.08186	19.8
216.04138	0.9
217.05048	1.2
218.05891	2.0
219.02979	5.9
219.06459	1.1
221.04703	1.2
221.08249	7.7
222.08530	1.0
229.01472	2.4
231.03033	1.5
233.04544	0.9
233.08081	1.3
234.05351	4.5
235.06033	2.0
236.06891	0.9
237.07603	1.0
245.04590	1.6
246.05304	1.7
247.02472	8.9
247.04944	1.1
247.06113	1.8
249.03882	1.1
249.07643	8.9
261.03979	4.7
262.04794	13.6
264.06339	1.0
265.07150	14.6
266.07492	1.1
276.06375	4.6
277.07159	40.2
278.07510	2.5
279.08920	0.9
289.06992	1.4
291.08752	3.1
295.08121	2.6
306.11710	0.9
307.08163	1.5
309.09784	2.1
325.09305	2.2
337.09296	40.7
338.09515	2.3
383.09875	3.0
427.12357	2.1
439.12393	2.2
457.13577	1.5
487.14648	2.4
503.16415	1.4
563.16156	100.0
564.16614	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	563.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69047	0.4
57.03450	0.7
59.01381	5.1
61.98835	1.5
69.57269	1.2
69.57678	1.9
71.01389	3.7
73.02944	1.3
75.73849	0.4
82.87502	0.4
83.01391	0.8
84.71797	0.4
85.02964	1.6
87.00886	0.8
88.13286	0.4
89.02447	1.2
93.03461	0.8
101.02452	2.1
113.02463	1.5
115.00399	0.6
117.03464	0.9
119.01402	1.1
119.05025	1.9
121.02979	1.9
123.04482	0.6
124.01675	1.3
125.02421	0.7
135.04480	0.7
137.02477	3.6
145.02950	1.3
147.00861	0.7
147.08156	0.5
149.02429	8.3
150.03210	1.3
151.04007	10.6
161.02397	1.5
161.04477	0.7
162.03221	34.4
163.04031	6.8
164.04791	7.6
165.01830	0.5
165.05551	1.7
171.04533	0.5
175.00369	7.1
176.00993	0.6
177.05559	11.0
178.05945	0.8
179.03496	7.8
179.04991	0.9
179.07095	2.0
180.04280	82.5
181.04605	3.2
190.02721	21.8
191.03279	1.0
195.06618	100.0
196.06938	4.4
205.05048	27.7
206.05453	1.6
208.03729	0.6
223.06116	10.1
227.03476	1.0
247.06024	0.6
255.02968	1.2
271.02405	1.4
284.03210	1.6
285.04053	0.6
300.02814	1.7
323.05533	0.7
339.10928	0.8
352.07803	0.7
357.11917	7.1
358.12006	0.6
367.10315	49.7
368.10593	2.9
383.07407	0.6
463.08884	1.8
531.16211	1.0
545.16589	6.8
545.29407	0.6
546.16846	0.7
563.17987	3.5
563.30103	0.6
571.91473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1768
Annotation	Isoliquiritigenin 2'-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
50.85776	0.3
57.03441	0.5
59.01382	2.2
61.98832	4.6
63.02395	1.1
65.00324	4.0
67.01904	0.3
68.99809	0.5
71.01388	1.2
73.02954	0.6
75.00839	0.2
83.01378	3.9
85.02959	0.6
87.00860	0.2
89.02457	0.3
91.13403	0.3
101.02457	0.6
107.01396	5.7
108.02183	0.5
113.02442	0.4
115.05512	0.3
117.07143	0.3
119.03459	0.3
125.02453	1.3
130.04263	0.3
133.02924	1.1
136.01659	0.5
141.07034	0.6
145.06589	4.4
147.04523	0.4
147.05652	0.3
151.00366	12.7
157.06461	0.3
163.06122	0.3
163.85263	0.3
164.01154	0.9
169.06573	3.6
171.04518	8.5
172.05261	1.9
177.01938	0.5
183.08195	1.9
185.06046	0.9
187.07607	3.2
193.06505	0.5
209.06137	0.3
211.07648	10.8
212.07979	0.5
213.05566	4.1
225.05576	0.6
226.06320	0.7
227.07100	0.6
237.05464	0.4
253.04990	0.5
254.05745	0.9
255.06619	100.0
256.06967	5.4
269.08182	0.4
279.06586	1.1
297.07684	3.6
298.19186	0.2
309.07681	0.5
339.08887	0.3
357.09866	2.0
359.27686	0.2
399.10721	0.3
401.12268	0.9
429.63043	0.3
443.13348	2.0
503.31982	0.4
563.17664	57.7
564.18024	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	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
58.00588	1.9
59.01381	40.0
61.98832	8.2
69.87914	3.5
71.01386	10.4
72.99303	2.7
73.02946	4.4
83.01395	0.7
85.02958	7.9
89.02452	9.4
99.04564	0.8
101.02449	11.3
103.04007	9.2
106.19238	0.7
113.02493	1.3
119.03506	4.3
119.05109	0.6
145.05084	1.0
163.06097	2.9
187.35234	0.6
212.04793	2.2
213.05565	20.8
214.06018	1.1
227.06961	1.4
227.10838	0.7
240.04349	2.6
241.05069	49.6
242.05434	2.1
254.05852	1.1
255.06644	16.1
256.07407	100.0
257.07739	4.3
269.08240	0.9
270.08932	2.5
271.09756	98.0
272.10199	4.8
298.87747	0.7
397.12628	0.8
399.14252	2.6
417.15555	27.4
418.15982	1.9
563.21356	48.9
563.34271	3.9
564.21594	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	563.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78261	1.0
57.03456	4.6
57.58130	0.9
58.00578	2.5
58.03828	0.9
59.01378	65.9
61.98831	61.0
65.51740	0.9
71.01381	16.5
72.99294	4.9
73.02939	6.7
76.94659	0.9
83.01413	1.1
85.02956	11.9
87.00902	1.4
89.02452	18.5
99.00848	1.5
99.04533	2.4
101.02444	19.7
103.04012	13.2
113.02464	1.9
119.03503	8.2
125.02438	1.9
126.02721	1.0
127.03989	1.4
145.05118	1.4
163.06073	4.6
177.01936	1.3
212.04698	2.5
213.05545	20.9
223.96893	1.0
225.05588	3.0
226.05855	1.8
227.06964	1.2
229.33278	1.1
240.04211	3.2
240.07843	4.0
241.05067	51.1
242.05392	2.9
242.08134	1.5
255.06592	19.8
255.10191	2.5
256.07410	100.0
256.10321	3.1
257.07703	4.2
257.10617	1.9
270.09009	2.1
271.09741	74.4
272.10095	3.4
315.10437	1.0
315.25305	2.1
417.15536	25.9
459.29333	1.8
477.30734	2.5
519.31787	8.3
563.21320	54.0
563.34229	2.2
564.21942	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	563.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31063	0.8
57.03440	1.7
58.00578	1.2
59.01380	32.6
61.98833	14.0
69.22975	7.6
71.01381	24.2
72.99295	1.4
73.02936	2.9
83.01385	6.3
85.02956	7.2
86.10522	0.8
87.00854	2.0
88.98797	1.5
89.01926	1.4
89.02444	23.3
89.42284	0.8
91.05534	11.4
95.01378	8.0
98.98183	0.7
99.00854	1.6
101.02441	14.1
111.00911	0.8
113.02454	11.4
115.05540	58.1
116.05901	4.4
117.03438	2.3
117.07111	21.6
118.07423	1.5
119.03510	7.2
123.04539	4.8
125.02444	1.8
127.00362	2.3
131.03442	1.1
133.06598	35.1
134.06886	1.8
135.04478	1.3
139.00391	4.2
143.03474	2.4
143.05009	6.2
149.04536	1.1
157.01405	2.4
159.56471	0.9
161.04593	4.9
161.06065	46.5
162.06415	3.2
163.03984	7.3
177.05582	0.9
179.05612	13.1
183.17952	0.8
187.04007	100.0
188.04362	7.4
198.03168	2.0
205.05075	9.7
213.05646	5.2
258.13910	0.9
295.08368	5.3
295.58292	1.3
361.08136	0.9
385.11386	11.9
425.18304	5.7
455.19223	4.7
473.14566	15.1
474.14835	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	563.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.5
57.03428	3.1
59.01380	100.0
59.01683	4.9
61.98828	51.5
71.01388	41.4
71.55885	2.7
71.56261	4.3
72.99306	4.6
73.02950	16.1
83.01382	9.3
85.02957	22.7
87.00874	7.8
88.98849	3.2
89.02435	18.8
95.01420	5.2
99.00877	3.4
101.02460	38.1
103.04044	5.5
108.00388	2.4
111.16667	2.3
113.02454	23.8
115.05563	4.2
119.03490	6.4
119.05002	6.4
125.02444	3.8
128.20042	2.7
131.03487	7.4
133.58473	2.5
143.03467	7.0
151.00362	12.0
159.02985	3.0
161.04529	9.1
161.05963	3.5
163.06104	2.8
179.03529	3.3
179.05571	3.5
184.91414	2.8
187.04005	10.2
205.07092	3.3
209.28210	2.6
221.06682	2.9
229.14424	3.3
236.67793	2.6
245.22238	3.1
253.09332	5.4
271.06094	8.1
279.05795	2.6
325.16458	2.5
327.21634	17.2
331.17636	11.0
375.20370	12.5
443.87680	3.3
461.23914	3.2
477.23328	32.3
503.24670	4.3
519.24475	10.9
521.26031	18.2
528.00562	2.6
542.48932	3.8
562.46515	2.8
563.17847	17.7
563.30310	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	563.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
57.03436	6.4
58.00602	2.7
59.01381	100.0
59.46985	2.9
61.98819	7.9
63.59960	2.7
69.52885	19.2
71.01384	76.8
72.99303	3.2
73.02952	28.3
83.01389	9.2
83.93462	2.3
85.02952	35.6
87.00874	9.2
87.04518	3.4
89.02459	20.4
95.01376	7.2
98.20618	5.4
99.00876	10.4
101.02444	46.5
103.04009	4.6
108.51347	2.5
113.02464	40.6
116.64301	2.4
116.90820	2.5
119.03475	9.1
125.02454	3.9
131.03561	3.7
143.03523	9.1
150.01387	2.8
159.02960	5.0
161.04536	37.1
163.06023	3.4
179.05617	3.4
205.07202	3.3
233.86157	2.6
255.19672	3.0
275.00461	2.6
306.68680	3.1
312.79724	3.0
313.16852	3.2
331.17593	7.4
399.23990	3.6
417.24875	67.0
418.24533	4.1
477.23349	35.0
478.23563	4.4
519.24451	24.4
563.30896	68.5
564.30682	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	563.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
58.00580	6.6
59.01380	98.5
61.98820	14.5
64.85094	2.4
69.99225	10.6
71.01383	70.8
72.99306	10.1
73.21103	2.0
75.00873	100.0
85.02940	11.0
87.00874	9.2
89.02445	99.0
89.03008	4.0
95.01369	6.4
98.19881	2.8
99.05645	2.7
101.02445	38.1
113.02464	24.4
119.03517	38.4
125.02435	7.8
131.03482	5.2
143.03464	10.8
149.02501	3.1
149.04585	3.3
149.05908	2.2
161.02486	2.8
161.04555	14.1
173.04736	2.9
179.03499	7.5
179.05608	78.7
230.34062	2.6
233.15486	11.6
263.07550	2.4
413.21844	17.4
503.24503	3.3
506.05878	2.7
563.14172	7.7
563.28998	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	563.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87120	0.7
57.03437	2.7
58.00586	1.4
59.01379	39.3
60.13047	0.7
61.98830	100.0
62.98541	1.4
70.66335	0.8
71.01383	13.1
71.55753	1.2
72.99302	3.4
73.02950	4.4
83.01373	1.7
85.02969	6.3
87.00854	1.9
89.02444	8.7
94.33094	0.7
99.00866	1.2
99.04502	1.2
101.02443	10.8
103.04019	4.9
109.02966	1.1
113.02432	2.9
119.03491	4.8
120.81713	0.8
124.36314	0.7
125.02454	1.6
130.43250	0.8
152.07246	0.8
161.04482	1.3
163.03938	1.5
163.06067	1.6
187.03943	0.8
213.05609	11.2
225.05614	1.3
240.04280	2.0
240.08109	2.0
241.05051	24.5
242.05307	1.3
255.06549	8.1
255.10352	1.3
256.07410	47.8
257.07779	4.2
257.10532	0.8
270.08926	1.8
271.06854	1.7
271.09744	32.3
272.10059	2.8
297.24274	2.2
315.25339	7.8
397.26520	1.1
417.15552	11.1
418.15778	1.3
459.29727	4.2
477.30807	8.0
478.30933	1.5
503.32413	1.5
519.31738	27.2
520.32147	1.8
521.33130	1.3
563.21265	22.5
563.34680	7.0
564.21411	3.5
564.34344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66127	0.5
51.74221	0.5
55.01880	5.3
56.65425	0.5
57.03454	5.9
58.00584	4.1
59.01379	77.6
60.01691	0.6
61.98824	1.7
68.99818	0.7
69.03470	0.8
69.19563	5.9
71.01380	92.9
72.01725	1.5
72.99304	4.0
73.02945	28.8
75.00876	2.1
81.03476	1.1
83.01382	12.1
84.02172	0.9
85.02948	47.0
86.00117	0.8
86.03308	0.7
87.00874	7.9
87.04502	4.7
89.02443	32.0
95.01382	8.5
97.02948	2.7
99.00880	13.3
99.04485	0.6
100.62767	0.5
101.02443	57.9
102.02775	0.8
103.04007	6.3
110.13213	0.5
111.00872	3.2
113.02448	39.1
114.02797	1.0
115.04028	2.1
118.49810	0.6
119.03501	12.2
123.04522	0.6
125.02452	2.9
127.04019	0.9
129.01942	2.4
131.03517	3.4
134.03706	0.5
138.57393	0.6
143.03506	7.9
145.05128	1.5
149.02625	0.6
149.04636	0.6
151.04044	0.6
159.02971	6.2
161.04549	45.6
162.03246	1.7
162.04890	1.6
163.04028	0.7
163.06116	5.4
177.05595	0.6
179.05598	3.4
180.04295	5.4
190.02698	1.7
195.06638	7.8
202.10794	0.7
205.03421	0.8
205.05110	2.5
205.07167	1.8
223.06197	0.6
227.03452	0.8
255.03085	2.4
255.19614	3.7
284.03253	4.1
285.03964	1.4
337.09241	0.7
351.04892	0.7
357.19513	0.6
367.10544	3.2
368.10706	0.7
399.23926	2.8
417.24911	100.0
418.25247	8.7
477.23099	1.4
503.25311	0.6
563.13892	2.0
563.30884	89.7
564.31207	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	563.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.5
57.03450	6.2
58.00599	6.0
59.01385	100.0
61.98834	23.4
69.03471	1.8
69.21587	11.6
69.22011	2.0
71.01389	87.5
71.05044	1.5
72.01711	2.0
72.99298	6.6
73.02954	31.2
73.73226	1.2
75.00885	2.6
76.42899	1.2
83.01386	17.2
85.02953	44.3
86.00074	3.0
87.00877	9.6
87.04514	3.0
88.98819	3.4
89.02448	44.4
95.01395	6.7
99.00875	10.3
101.02448	70.2
102.02773	1.7
102.39190	1.2
103.04032	7.2
107.01405	1.3
108.75586	1.1
109.02928	1.8
111.00896	5.8
113.01703	2.5
113.02451	33.0
115.04004	2.5
115.05576	2.0
119.03510	20.6
119.72619	1.1
121.02905	1.2
123.04532	1.9
124.45242	1.2
125.02525	2.7
125.09695	2.6
127.11287	5.0
129.01933	2.1
131.01418	2.8
131.03490	4.6
136.01639	2.3
143.03499	9.7
145.01324	1.6
145.04977	1.2
149.02458	1.4
149.04480	1.5
151.00362	1.7
155.10883	6.1
157.12325	1.4
159.02994	4.6
161.04576	21.1
163.06123	16.1
164.01184	1.7
167.10777	2.9
169.12372	1.8
175.00441	5.8
177.01912	1.8
179.05614	5.3
180.04314	3.2
185.11842	4.2
187.03978	2.1
195.06638	5.2
199.13403	2.7
201.01958	2.3
201.11337	8.6
205.07141	11.9
207.66809	1.2
229.14462	9.7
247.08258	4.1
255.06699	6.9
267.06787	1.8
268.07352	1.5
269.08026	1.4
279.06656	23.0
280.06937	2.8
285.03976	3.2
289.16574	3.5
297.07709	8.1
298.07956	1.7
309.07733	2.7
322.11145	1.4
327.08771	6.4
327.21780	1.9
329.23380	1.8
339.25424	2.1
352.85410	1.5
357.12082	1.6
357.26407	4.8
399.11020	1.9
417.24936	31.4
418.25186	3.4
443.13467	5.4
483.29498	2.9
491.28690	12.8
501.30780	15.0
519.31757	77.5
520.32056	8.5
525.23340	2.8
527.88763	1.4
545.29614	2.3
563.17609	37.3
563.30566	80.0
564.18280	5.9
564.31287	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	563.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59372	0.7
59.01381	11.1
69.36283	1.5
69.36685	5.9
71.01383	2.2
78.95906	2.5
89.02442	2.9
96.95982	0.7
101.02428	1.7
112.20903	0.8
113.02473	0.9
119.49707	0.8
120.38307	0.9
135.79926	0.9
161.04570	0.9
218.28354	0.8
235.08189	1.6
253.09206	11.7
267.23279	100.0
268.23587	6.3
328.71799	0.7
478.29681	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87014	0.5
59.01385	12.3
61.98830	4.7
71.01381	2.8
71.27109	0.9
73.02934	0.7
78.95903	2.0
89.02448	2.9
89.71363	0.6
101.02437	2.4
106.68533	0.7
113.02438	1.4
126.37691	0.6
161.04538	1.0
180.29677	0.6
205.26648	0.9
235.08302	1.2
253.09305	12.2
267.23297	100.0
268.23611	4.1
269.08307	1.1
279.23352	1.2
280.23700	1.2
281.24826	3.5
289.42517	0.6
478.29340	2.2
563.28992	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	564.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	55.7
61.98830	100.0
68.01616	3.8
71.01397	18.2
71.10420	6.7
71.91705	4.1
73.02955	6.0
75.32841	4.1
85.02969	4.2
89.02439	5.8
90.56063	4.1
92.39394	5.2
101.02445	15.7
113.02430	6.6
118.84852	4.3
143.03407	4.1
156.37134	4.0
161.04567	9.2
269.10330	13.0
309.88684	4.3
309.97064	4.0
415.16058	52.1
457.17044	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60635	0.3
55.22289	0.4
59.01373	2.3
61.98832	100.0
67.20693	0.4
69.75731	1.8
69.76161	0.7
71.01395	1.7
85.02970	0.6
89.02444	0.5
101.02477	0.7
102.41350	0.4
109.78384	0.4
113.02502	1.0
132.92236	0.4
180.05800	0.5
192.58853	0.4
225.05597	0.9
241.05086	0.4
257.08215	5.9
401.12317	0.8
419.13593	0.8
478.23831	0.5
520.25262	0.7
565.19611	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28203	0.6
55.01878	0.8
55.82368	0.5
56.43523	0.5
57.03445	0.9
59.01382	21.3
60.01727	0.9
61.98832	100.0
65.13177	0.5
65.31821	0.5
71.01382	8.6
72.01699	0.6
72.99317	0.8
73.02946	6.5
73.63584	0.5
75.00882	1.1
80.53061	0.5
83.01402	2.2
85.02523	0.6
85.02953	3.3
88.98833	0.9
89.02454	4.3
99.00909	0.9
101.02444	8.8
101.03012	0.8
113.02457	4.4
119.03500	1.7
123.04577	1.8
131.03494	1.3
143.03510	1.0
144.54466	0.6
149.04584	1.4
153.05591	2.2
161.04611	2.6
162.04930	0.7
179.03506	0.9
210.11710	0.6
229.63257	0.6
257.08170	1.2
269.41702	0.6
327.21765	1.1
328.22107	1.2
360.28497	0.9
402.24835	0.7
437.22748	0.6
456.07471	0.6
504.32883	0.8
521.33539	1.0
535.16101	0.8
563.29596	0.6
563.35596	1.0
564.30566	2.3
565.20142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79025	0.2
54.68595	0.2
58.96744	0.3
59.01382	4.2
61.98828	100.0
63.99258	0.5
71.01370	2.1
71.33321	0.4
72.99335	0.3
73.02956	0.9
74.02476	0.9
83.01401	0.5
85.02956	0.8
87.00877	0.4
89.02447	0.7
99.00910	0.3
101.02437	1.6
105.01938	0.5
113.02456	1.1
119.03493	0.5
125.02373	0.3
133.02963	0.7
135.04512	0.4
140.12137	0.3
143.03435	0.4
161.02477	1.4
161.04514	0.6
163.04005	0.3
179.03336	0.3
218.50383	0.3
226.06348	0.5
323.07687	0.4
328.21948	0.3
429.17700	1.2
504.32382	0.5
534.32800	0.6
552.86267	0.3
564.33929	4.3
565.17334	0.8
565.33844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.1
61.98832	100.0
63.08825	0.2
69.52825	0.5
69.53235	1.2
71.01379	2.0
73.02959	0.8
74.02488	0.9
75.00884	0.2
83.01395	0.6
83.05062	0.3
85.02972	0.9
87.00901	0.3
89.02466	0.8
101.02444	1.8
102.02779	0.3
105.01933	0.6
113.02462	1.0
118.13877	0.2
119.05054	0.4
121.02985	0.2
123.04562	0.3
133.02989	0.5
135.04547	0.4
161.02452	1.2
161.04576	0.3
163.04042	0.3
179.03476	0.3
197.44846	0.2
200.76764	0.2
226.06284	0.3
241.08925	0.4
247.07979	0.3
328.22305	0.6
429.17828	0.7
504.33160	0.4
534.33099	0.7
564.33966	3.8
565.17694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48179	0.7
59.01378	24.0
61.98839	4.1
64.25658	0.7
69.37306	5.9
70.60142	0.7
73.53994	0.7
78.95908	19.5
88.05860	0.9
98.20792	1.2
114.73968	0.8
152.99553	2.0
168.04309	2.5
176.79269	0.8
221.61293	0.8
224.06915	7.9
242.08075	1.2
244.95204	0.8
265.21701	100.0
266.22043	6.1
471.68402	0.8
490.29379	63.6
491.29572	4.5
585.45129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24080	0.6
56.47002	0.6
58.00584	1.1
59.01379	23.6
61.98835	3.4
71.01383	6.5
71.56686	0.8
72.99303	1.0
73.02951	2.4
85.02956	5.0
87.00870	6.8
89.02448	4.7
101.02449	4.5
103.04016	2.4
113.02451	1.1
113.99601	0.6
116.92887	0.7
119.03504	1.9
145.04956	0.6
174.01660	0.6
195.42810	0.7
198.06790	0.6
201.11388	0.6
212.04778	2.1
213.05566	1.7
218.07339	0.6
227.07086	1.1
240.04214	3.4
241.05061	31.6
242.05836	100.0
243.06229	4.0
247.08098	0.8
255.06613	12.4
256.07263	3.4
257.08191	78.1
258.08594	3.5
299.09210	1.3
316.77783	0.7
337.73489	0.7
401.12405	16.4
402.12738	1.0
403.13834	1.1
419.13458	11.8
505.20908	1.0
558.88824	0.7
565.19244	37.9
565.32599	1.4
566.19434	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	565.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.7
59.01380	35.4
60.01713	0.7
61.98831	26.1
69.47286	4.7
71.01381	22.6
72.99312	1.6
73.02953	2.3
73.93324	0.7
81.03477	0.7
83.01386	1.1
85.02962	4.5
87.00893	1.0
89.02447	25.9
95.01401	0.7
97.02985	0.7
101.02441	5.8
107.47605	0.8
109.02972	1.0
113.02455	4.3
121.02937	3.5
122.03752	2.9
123.04478	0.8
125.02481	1.0
131.03487	2.7
135.04530	1.2
143.03484	1.2
147.04472	1.4
149.02411	1.1
149.04535	3.1
149.97826	0.7
161.04581	1.4
163.03908	1.2
165.05576	5.1
179.07095	1.6
188.07176	0.8
202.45964	0.7
208.05519	0.7
208.81110	0.8
213.05559	18.7
240.04265	0.9
241.05060	48.1
242.05402	2.3
255.06612	9.7
256.07407	98.2
257.07794	5.3
270.08975	2.4
271.09747	100.0
272.10077	5.1
313.10809	1.0
346.14172	1.5
361.16562	16.6
362.16736	0.9
415.13974	2.2
433.15042	27.9
434.15408	2.5
462.24042	2.1
463.24609	4.7
505.33456	1.1
535.19159	0.8
565.19202	30.8
565.34473	3.3
566.19489	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	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00552	0.5
59.01381	8.3
61.98830	6.1
64.75904	0.4
68.96363	0.4
70.02142	1.5
71.01381	4.2
72.99266	1.1
73.02904	1.1
83.01373	0.8
85.02975	1.9
85.92973	0.4
88.98801	0.6
89.02433	2.0
95.01337	0.4
97.02895	1.3
98.19887	0.4
99.00844	0.6
101.02478	1.9
101.02968	0.6
106.07585	0.4
108.01567	0.4
108.02177	3.8
108.86012	0.4
109.02902	1.8
113.02402	1.2
115.05451	0.4
116.92793	0.4
121.02901	1.4
123.04488	0.7
125.02382	0.4
127.03969	0.8
130.44548	0.4
137.02383	0.5
143.03493	0.4
152.01175	4.3
153.05469	0.6
161.02458	0.4
161.04523	0.6
161.06044	0.4
163.03766	0.4
172.05237	1.3
177.05574	0.5
180.05785	3.9
181.06586	3.2
183.04462	1.4
184.05301	0.6
189.05409	0.4
196.05252	1.2
197.06071	2.1
212.04825	1.8
213.05554	1.6
214.06372	1.4
224.04745	1.2
225.05556	19.2
226.06122	1.3
227.07072	1.1
239.07199	0.5
240.04276	4.9
241.05038	12.6
241.08765	1.6
242.05801	3.1
254.05676	0.5
255.06642	8.1
256.07294	2.6
257.08182	100.0
258.08527	5.1
271.09790	1.0
281.08218	0.7
295.09863	1.1
299.09283	2.3
323.09393	1.2
401.12384	21.3
402.12775	1.6
419.13498	5.4
419.25790	0.4
461.23615	0.5
497.26193	1.1
521.32977	0.6
565.19476	35.4
565.29041	2.3
566.19751	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	565.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.3
59.01380	26.4
61.98529	3.0
61.98833	45.1
64.10748	1.8
71.01382	8.6
71.56709	3.0
73.02930	1.9
75.00875	78.2
75.78606	1.5
78.70527	1.9
85.02949	4.2
89.02454	4.9
100.34414	1.8
100.69115	1.6
101.02437	7.2
103.00376	100.0
103.04022	10.7
113.02431	3.4
118.55489	1.7
121.02908	2.2
123.04519	2.0
143.03561	1.8
151.00230	1.8
153.05579	3.7
163.04012	6.8
184.88011	1.7
193.05035	2.8
237.07687	7.7
255.06573	8.9
256.06976	7.4
257.07202	5.3
308.10559	1.8
329.23438	2.1
404.16074	1.6
425.57144	1.9
461.23883	5.5
472.43903	2.2
490.75027	1.8
565.18219	14.0
565.33673	3.5
566.19257	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	565.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13449	7.9
59.01369	34.1
61.98833	100.0
70.88017	23.5
81.85793	8.3
82.52902	7.5
82.95395	10.6
88.28678	7.7
92.66808	8.3
103.32294	7.6
143.74690	8.1
165.05557	30.1
179.07236	11.8
181.65395	9.8
258.03467	7.8
293.21237	13.4
374.33868	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	565.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	30.4
61.98829	100.0
67.87740	11.5
70.72040	42.4
145.63956	11.9
293.21307	16.4
371.15396	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	565.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49235	6.2
59.01397	10.2
61.98818	31.4
64.70076	6.7
68.78955	6.7
71.55260	10.5
81.72592	6.3
87.27578	7.7
93.03533	7.2
97.05333	7.0
118.46798	6.3
119.05024	95.6
136.47290	6.1
163.03983	100.0
164.49965	6.4
168.28091	6.3
196.24586	7.4
366.67654	7.8
371.09140	31.1
386.11685	26.1
401.14212	38.5
434.57748	6.8
452.11084	6.9
464.97684	7.3
513.00543	7.4
537.35406	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	565.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.3
60.61620	1.9
61.98817	5.5
71.01378	2.5
71.23792	2.1
71.56356	2.5
71.56754	2.2
78.95901	4.5
89.02436	2.3
101.02467	3.8
126.52785	2.1
152.99562	4.6
253.09335	16.7
253.46353	2.4
255.23335	13.7
256.70819	2.2
269.24866	100.0
270.25186	5.1
405.54272	2.2
483.27249	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	566.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.35605	0.3
70.93685	0.6
71.75861	0.3
86.83064	0.3
100.49892	0.3
102.70243	0.3
109.30194	0.3
131.00778	0.3
172.09818	0.4
260.47598	0.4
262.66443	0.3
297.33856	0.3
329.11536	0.4
405.13589	0.3
450.42123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14120	0.2
52.42470	0.2
59.01379	0.5
61.98832	100.0
62.98517	0.3
63.09348	0.2
63.30106	0.2
71.01378	0.3
73.55781	0.2
74.97920	0.2
83.55377	0.2
85.20291	0.2
88.86786	0.2
572.38245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62790	0.2
59.01397	0.2
61.98831	100.0
67.76461	0.2
71.01390	0.3
71.56661	0.3
75.68222	0.2
89.02482	0.3
95.58755	0.2
98.81524	0.2
99.08668	0.2
101.02482	0.2
116.92892	0.6
117.92928	0.2
240.99014	0.2
244.50845	0.2
358.08734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60979	0.3
53.92910	0.3
57.01674	0.3
59.01382	0.8
59.68718	0.3
61.98832	100.0
64.43557	0.3
65.94579	0.3
77.38853	0.3
80.05092	0.3
82.55753	0.3
84.18675	0.3
90.88400	0.3
98.20670	0.7
100.70786	0.3
101.00870	0.3
127.27285	0.3
147.67513	0.4
180.05585	0.3
511.16135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66191	1.1
59.01380	60.3
60.99308	3.3
61.98831	100.0
71.01388	7.2
71.56240	1.4
71.56625	1.7
73.02940	2.4
85.02936	3.2
87.00878	1.9
88.98804	22.3
89.02451	4.1
101.02451	3.6
108.02168	1.4
113.02450	4.7
115.00411	1.5
122.03742	1.1
137.42613	0.9
149.24477	1.2
161.04637	1.9
162.03235	3.8
165.05597	1.4
177.05540	4.4
259.09711	4.5
362.43774	1.2
389.12204	1.3
399.23874	18.8
417.24896	3.8
459.25858	2.6
567.19952	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	566.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12936	0.4
54.12449	0.5
59.01376	1.6
59.10307	0.4
61.98830	100.0
71.01405	0.9
73.77736	0.4
76.75748	0.4
85.02973	0.5
101.02446	0.7
154.87395	0.4
164.82086	0.5
165.05583	1.2
229.44734	0.5
229.48032	0.5
321.16971	0.5
382.73560	0.5
415.16113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.45301	0.5
70.19212	2.0
76.95509	0.5
78.95918	1.1
86.67146	0.5
99.17547	0.5
112.22008	0.4
164.49915	0.5
168.87675	0.5
178.44244	0.6
235.22488	0.5
268.23660	0.6
281.24820	4.3
282.25366	0.6
406.94736	0.6
506.32562	3.7
557.50195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.2
60.10852	2.0
61.98829	21.9
62.83953	1.8
69.42120	15.6
69.42923	1.9
91.74434	1.9
93.03458	5.7
93.17247	1.8
100.45344	2.1
101.02465	2.1
119.05027	3.2
121.06606	8.0
145.02943	3.1
148.01680	1.9
149.06114	14.4
163.04045	4.7
165.05565	100.0
166.05954	3.4
195.41919	2.0
211.13460	2.9
215.28877	2.2
218.26004	1.8
225.05548	4.9
241.60939	2.1
253.08658	3.7
315.10257	3.5
343.09750	16.9
352.25977	2.0
371.04865	4.1
371.09238	60.0
372.09766	4.9
385.11249	2.1
386.11606	42.5
387.12024	3.5
401.13889	71.1
402.14496	5.4
417.13422	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	567.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
60.99308	14.9
61.98832	5.5
62.66832	0.5
62.68607	0.4
71.01382	1.1
71.56475	0.7
72.99336	0.5
83.01376	0.9
85.02921	0.7
87.00881	0.7
88.00414	0.9
88.98807	100.0
89.02446	8.2
89.99133	0.4
91.01911	0.6
101.02425	0.5
111.00896	0.6
113.02413	0.5
113.99618	0.5
115.00357	0.8
116.92848	0.8
135.00932	1.0
139.00357	0.4
140.05182	0.4
153.01895	1.9
157.01433	1.7
161.02417	0.4
162.03195	0.5
175.02438	1.0
177.05624	0.7
225.45407	0.4
234.57884	0.4
259.09631	0.4
350.72058	0.5
446.13681	0.4
477.23187	0.9
567.13196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
60.99308	14.9
61.98832	5.5
62.66832	0.5
62.68607	0.4
71.01382	1.1
71.56475	0.7
72.99336	0.5
83.01376	0.9
85.02921	0.7
87.00881	0.7
88.00414	0.9
88.98807	100.0
89.02446	8.2
89.99133	0.4
91.01911	0.6
101.02425	0.5
111.00896	0.6
113.02413	0.5
113.99618	0.5
115.00357	0.8
116.92848	0.8
135.00932	1.0
139.00357	0.4
140.05182	0.4
153.01895	1.9
157.01433	1.7
161.02417	0.4
162.03195	0.5
175.02438	1.0
177.05624	0.7
225.45407	0.4
234.57884	0.4
259.09631	0.4
350.72058	0.5
446.13681	0.4
477.23187	0.9
567.13196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.2
60.99311	15.2
61.98831	12.2
70.06960	0.5
71.01391	2.7
72.22486	0.5
73.02930	0.9
75.00845	0.6
83.01388	0.7
85.02969	1.2
87.00871	1.1
88.00390	1.2
88.98810	100.0
89.02448	12.6
89.06147	0.5
93.03452	0.7
98.19829	0.8
101.02457	2.2
108.54468	0.5
113.02415	1.0
119.03528	0.8
121.02980	1.0
122.03727	3.0
123.04568	0.7
125.02464	1.0
131.03477	0.7
137.06091	2.8
147.15311	0.5
148.05247	0.8
150.03210	0.7
150.56372	0.5
161.04604	0.6
162.03226	1.3
165.05557	0.9
177.05516	1.3
179.05603	0.9
221.06784	0.7
222.03661	0.5
227.03467	1.0
255.02968	1.9
259.09741	10.9
277.12354	0.8
284.03329	1.9
285.03989	1.6
301.10971	0.6
403.13934	1.3
421.15140	1.0
424.12021	0.6
444.34659	0.5
506.13425	0.5
567.11688	2.6
567.20996	2.5
567.30383	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	567.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04768	0.5
59.01381	5.7
61.98830	6.6
69.21931	0.6
69.22224	6.2
71.01376	2.7
72.98923	1.1
72.99304	8.3
75.00855	3.8
75.86762	0.7
87.00879	1.0
89.02441	0.7
98.20646	1.4
101.02435	0.9
103.00397	1.1
105.01936	100.0
106.02296	1.1
123.04529	1.2
151.03996	1.9
160.06380	0.5
163.03972	0.7
165.05560	0.6
167.03410	0.8
175.04042	0.9
181.05099	0.8
216.89008	0.6
228.08075	0.9
229.08571	0.7
319.05237	0.6
393.37686	0.6
475.10455	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	5.9
59.01388	43.0
61.98832	42.2
62.20430	5.2
65.07156	5.2
65.42395	5.6
66.68957	6.8
67.80317	6.0
70.23971	7.0
71.01375	16.8
71.54742	8.7
73.02961	10.1
89.02457	6.4
99.74237	6.3
101.02444	6.6
109.83767	6.3
113.02443	9.1
147.40959	6.8
147.42479	5.4
280.07364	7.3
303.23260	17.1
364.84473	6.4
481.27963	11.8
523.29083	100.0
524.29791	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	568.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06712	0.3
55.12230	0.2
59.01379	1.2
61.98829	100.0
62.83343	0.3
68.65732	0.3
71.01389	0.7
71.10568	0.4
71.10924	0.4
73.03012	0.3
77.85203	0.2
79.84988	0.3
83.62629	0.3
101.02457	0.4
118.87502	0.3
119.05009	3.7
135.67647	0.3
163.03990	3.7
271.22623	0.3
341.10312	2.4
342.10828	0.4
377.65503	0.3
405.51263	0.3
433.97571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57867	0.3
56.79534	0.2
59.01371	1.2
61.98832	100.0
71.01389	0.5
71.56033	0.2
91.23137	0.2
91.64868	0.2
101.02456	0.4
113.02459	0.2
157.83965	0.3
187.00204	0.2
411.76199	0.3
482.18271	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98831	100.0
65.10480	0.4
71.10790	0.8
76.99287	0.4
127.00556	0.4
136.81862	0.5
139.31459	0.4
163.04071	0.7
195.97209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00485	0.2
59.01358	0.6
61.98830	100.0
71.01390	0.4
82.62308	0.2
130.74265	0.2
188.68503	0.2
337.80396	0.2
387.31427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86432	0.2
59.01387	1.6
61.98829	100.0
69.53312	0.3
71.01397	0.8
71.55548	0.4
73.02944	0.7
83.01382	0.3
85.02964	0.3
88.58671	0.3
89.02496	0.3
97.14201	0.2
101.02427	0.6
113.02454	0.4
115.05513	0.3
155.06085	0.2
165.05562	0.4
347.08893	0.2
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
59.01383	20.8
60.01665	0.5
61.98829	3.7
66.78810	0.5
71.03133	1.2
75.00900	0.7
76.68000	0.5
78.95905	21.7
93.43338	0.6
131.77179	0.6
152.99556	6.2
168.04253	2.5
214.11978	0.5
224.06943	8.4
227.03107	0.8
242.08022	2.0
255.23291	20.9
256.23639	1.2
269.24850	100.0
270.25180	5.0
330.89819	0.5
436.14664	0.6
483.27289	9.5
494.32526	59.4
495.32819	4.9
509.54309	0.5
568.25446	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	569.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17659	0.4
59.01380	2.5
59.61876	0.3
61.98832	5.9
71.01389	2.1
71.56800	0.5
72.99331	0.8
73.02936	0.6
74.68297	0.4
85.02946	0.7
87.00866	0.5
88.98809	1.3
89.02439	0.9
93.03459	0.8
94.98148	0.4
99.00916	0.5
101.02445	1.5
109.02927	0.4
113.02447	1.0
119.04954	0.4
120.02259	0.5
121.02963	0.7
122.03773	1.8
123.04539	0.8
125.02446	0.7
133.02882	0.6
134.03741	3.2
135.04500	1.0
137.02467	0.5
149.02434	2.8
150.03230	9.9
151.03912	0.6
159.27344	0.3
161.02440	1.5
161.04576	0.4
162.03227	95.0
163.03635	2.7
164.04741	0.7
165.05568	8.1
177.05568	100.0
178.05902	3.2
179.03656	0.4
180.04260	0.8
195.06618	3.8
205.04990	0.4
208.99326	0.4
297.07693	0.4
313.07346	0.4
343.11795	0.8
396.58450	0.4
447.14548	0.4
461.16040	0.5
467.25027	0.6
477.73080	0.4
495.05045	0.4
521.17865	0.7
533.25641	0.4
569.21533	0.4
588.06671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53713	0.2
59.01377	0.6
60.99299	0.2
61.98835	1.9
71.01401	0.5
72.99291	0.6
74.33321	0.2
83.01408	0.2
88.98817	1.3
89.02444	0.3
99.92580	9.8
100.92603	0.4
101.02470	0.4
116.92860	100.0
117.01934	0.6
117.92878	3.9
123.04525	0.3
149.02393	0.3
163.03932	0.2
165.05606	0.3
195.06621	0.2
229.51651	0.2
241.59727	0.2
246.70609	0.2
253.77602	0.2
276.42444	0.2
475.51422	0.2
509.39160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.4
61.98832	100.0
63.99260	2.1
69.38742	3.7
69.39157	1.0
71.01356	1.0
71.90462	0.5
73.02962	0.6
83.01384	1.2
86.15346	0.6
98.20704	1.2
101.02465	1.0
110.88723	0.6
115.05547	0.8
123.04501	0.8
135.00887	0.9
165.32919	0.6
187.03949	0.8
191.03516	1.0
269.09433	0.6
407.70355	0.7
461.39514	0.8
498.17310	0.7
509.41214	0.8
528.29193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3121
Annotation	Crenulatoside C
Peak:m/z	Relative Intensity
50.97940	0.2
55.01876	2.6
57.03451	2.2
58.00592	0.9
59.01379	100.0
59.63923	0.2
60.01715	0.8
61.98849	0.5
68.99837	0.3
69.03456	1.2
69.27124	2.8
71.01382	39.0
72.01729	0.3
72.99320	1.9
73.02947	14.3
75.00877	0.8
81.03458	0.7
81.39334	0.3
83.01387	5.3
85.02950	22.3
86.00089	0.3
87.00388	0.5
87.00877	4.5
87.04520	1.0
88.91811	0.3
89.02440	7.8
95.01385	3.3
97.02951	1.6
98.19905	0.5
99.00885	5.8
101.02445	23.4
103.04023	2.2
109.02972	0.5
111.00869	0.7
112.01660	0.5
113.02451	15.3
115.04008	1.1
119.03521	2.0
125.02452	2.8
127.03986	0.5
129.01942	0.6
131.03506	1.6
143.03505	3.8
145.05115	0.5
159.03012	2.9
161.04553	19.7
162.04889	0.3
163.06133	0.9
171.05324	0.3
179.05548	0.4
205.03542	0.4
205.07149	1.4
317.21106	0.8
365.23260	1.9
383.24399	18.5
384.24606	1.3
425.25186	0.6
529.30157	59.9
530.30518	6.5
571.31250	7.3
572.31592	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	571.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84300	0.3
59.01377	0.4
61.98832	100.0
69.31300	2.7
76.52208	0.3
78.91889	0.6
78.95901	6.1
96.96964	1.1
126.90462	0.3
152.99590	5.8
153.00787	0.4
241.01306	2.4
255.23332	5.5
256.23669	0.4
269.24844	1.7
285.20996	0.4
315.04913	0.5
391.22430	0.4
409.23712	0.4
494.32748	1.1
535.38843	0.4
571.28760	7.1
572.29297	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01877	7.6
61.98813	9.4
71.55647	11.8
83.05032	9.6
126.91445	8.4
164.25420	8.5
201.19266	9.7
241.21683	100.0
244.07782	8.8
283.90445	11.2
382.71582	10.6
400.46545	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	572.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.49152	1.1
70.65645	3.4
87.82962	1.3
151.99977	1.2
192.36615	1.3
281.67535	1.2
544.62866	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36622	1.7
61.98830	100.0
63.26250	1.5
65.53939	1.5
70.78158	1.8
71.55995	2.2
88.15613	1.9
216.33401	1.5
239.61183	1.9
279.02686	1.9
314.74066	1.7
351.94510	1.6
433.04654	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	573.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84914	12.5
59.01363	15.6
61.98829	89.2
69.39394	100.0
78.91898	12.7
80.91671	32.4
83.77664	10.9
88.04014	13.2
88.98826	12.5
101.02431	13.6
117.44981	10.1
149.02434	16.2
150.03185	23.3
163.03897	11.2
165.05519	31.9
195.06635	27.1
305.06378	13.8
327.12415	40.7
331.84534	14.6
542.25580	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	573.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.0
55.01869	1.9
57.03423	2.9
58.00576	0.8
59.01105	1.3
59.01378	17.5
61.98536	1.0
61.98831	15.0
65.00322	1.3
65.03938	2.1
67.01887	3.9
68.99516	0.8
68.99835	1.1
71.01006	1.2
71.01382	20.8
71.56462	1.4
72.99311	17.5
73.02952	3.9
74.18401	0.7
75.00885	1.9
81.03465	4.6
83.01384	9.9
85.02962	8.5
87.00864	4.4
89.02450	5.3
89.89368	0.7
95.01371	2.2
96.96016	1.3
96.99316	1.2
97.02921	2.0
99.00881	36.7
99.01527	1.9
101.02442	7.4
108.99293	1.9
109.02920	2.3
111.00878	9.3
112.98811	100.0
113.02418	4.0
113.99659	4.7
115.00383	8.1
119.03504	1.6
123.00851	1.0
125.02428	2.8
126.90508	2.1
127.00377	6.5
129.01923	2.4
134.03677	1.1
136.98784	1.0
139.00362	1.4
141.01906	0.8
142.99854	2.9
143.03473	1.1
145.01427	9.0
153.01880	1.5
153.99059	3.6
154.99832	3.5
161.04552	2.5
163.04041	1.0
165.05536	0.8
169.01419	2.6
173.00908	77.5
174.01680	11.9
175.02391	2.9
179.05603	1.4
184.82489	0.9
191.03548	1.3
197.00897	22.7
209.77272	0.8
213.00346	1.1
224.29286	0.7
227.03543	1.5
240.97615	1.3
240.99879	15.0
255.03011	1.6
285.03839	1.1
331.17560	2.3
341.10800	1.7
352.92929	2.0
375.19843	1.1
375.27429	3.3
399.16553	6.1
409.92987	1.4
441.17474	5.9
455.22684	6.0
469.17014	1.4
474.59488	0.8
495.23068	1.2
529.18988	1.7
565.86029	1.0
572.98883	3.3
573.18127	39.6
573.25842	3.8
574.18585	4.2
574.26184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.3
59.01381	59.3
61.98823	15.8
63.20000	2.2
69.75327	2.5
71.01384	34.2
71.56376	3.7
72.99332	2.5
73.02943	9.6
73.79212	2.3
81.00084	2.2
81.03483	3.8
83.01383	7.8
85.02945	11.0
87.00867	10.2
89.02476	10.8
91.06725	3.0
96.95980	2.3
97.02943	2.3
99.00877	14.1
101.02448	18.9
111.00877	4.7
112.98803	26.5
113.02493	11.9
115.00355	4.8
119.03456	4.1
119.04974	2.1
121.02966	42.9
125.02448	5.1
127.00317	2.5
128.03621	2.1
137.02477	2.1
142.99864	4.3
143.03519	5.5
145.01389	4.1
148.05309	100.0
150.03265	2.6
161.04532	8.0
163.06146	7.6
163.07634	98.1
164.07915	4.4
173.00920	25.0
174.01741	14.3
175.02408	6.3
179.23158	2.3
197.00877	4.5
205.07188	5.0
240.99928	3.3
255.02951	3.2
285.03937	2.8
304.70203	2.5
391.15976	6.8
397.14807	2.6
441.17188	3.2
471.12512	3.3
471.18796	49.0
472.18497	2.8
513.19531	23.1
573.17999	9.3
573.25616	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	573.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08929	0.7
54.86739	0.6
59.01378	18.0
61.98828	2.1
71.01364	3.8
75.33659	0.6
83.01409	0.7
83.22735	0.6
89.02435	3.5
95.62099	0.7
96.96014	1.3
98.19857	1.7
99.00867	0.7
101.02441	4.5
111.28802	0.7
113.02428	1.7
119.03487	1.2
135.73230	0.6
152.91052	0.7
161.04550	1.3
172.49492	0.6
179.05600	0.8
225.31482	0.6
235.08057	1.6
238.36842	0.6
253.09286	15.6
263.46887	0.7
277.21707	100.0
278.22043	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	3.2
59.01387	50.4
61.98532	6.7
61.98832	88.5
69.82157	3.7
71.01378	38.4
71.55934	5.6
72.99310	7.6
73.02930	9.5
75.00861	4.7
83.01366	7.5
85.02959	19.0
88.98827	4.4
89.02432	9.6
91.05517	12.7
99.00881	5.1
101.02453	21.9
105.82536	3.9
108.15402	3.5
113.02468	19.9
115.05537	56.5
116.05863	17.8
117.03422	6.5
117.07101	24.6
117.50068	3.6
119.03449	4.0
119.05006	4.2
125.02444	4.9
133.06561	6.9
135.04573	4.9
143.03525	5.6
143.04961	6.9
161.04530	11.2
161.06059	58.6
163.03986	27.8
163.43214	4.0
167.71368	4.4
187.04013	100.0
188.04324	37.8
205.05103	21.0
223.06082	8.1
227.09468	4.1
265.07050	3.8
307.08188	18.7
307.58463	3.3
341.24332	3.6
541.50995	4.5
544.28821	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	574.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.2
59.57286	0.2
59.71273	0.2
61.98832	100.0
65.16953	0.2
71.01385	0.3
83.01405	0.2
89.02432	0.3
96.95992	0.2
113.75294	0.2
116.92860	0.2
123.59044	0.2
125.02502	0.2
131.16032	0.2
161.02496	0.7
164.16624	0.2
180.66081	0.2
257.72995	0.2
341.08606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06805	0.2
59.01381	4.4
61.98827	1.6
63.02405	0.5
65.00333	0.4
69.18833	0.9
69.19249	2.0
69.56664	0.2
71.01379	2.0
72.99346	0.4
73.02940	0.7
83.01379	0.7
83.93188	0.3
85.02961	1.7
87.00893	0.7
89.02476	1.0
93.03478	1.2
95.01385	0.3
98.20681	0.7
101.02464	1.7
107.01387	1.9
109.02972	0.8
113.02417	0.6
117.03436	0.3
119.03471	0.4
119.05119	0.4
125.02448	0.4
125.22296	0.3
130.04303	0.3
132.02193	0.4
135.00890	1.1
137.02464	0.4
143.05052	0.6
145.02928	0.4
151.00394	1.4
156.00430	0.3
157.06520	0.6
159.04532	1.1
161.04594	0.5
163.00363	1.5
163.06158	0.3
163.91666	0.3
165.01921	0.4
167.04993	0.4
168.34132	0.3
169.06639	0.7
171.04523	0.9
175.02473	1.0
183.04539	0.9
185.02344	0.3
185.06090	1.8
187.04037	2.2
189.05557	0.8
190.99864	0.4
195.04497	0.7
197.06097	0.5
199.03955	0.6
201.05568	0.4
205.05145	0.3
205.07172	0.4
211.03978	2.1
212.04594	0.3
213.05573	1.3
227.03493	19.7
228.03941	1.3
229.05028	8.5
229.07246	0.5
232.54100	0.3
239.03398	1.5
240.04266	0.7
241.05066	1.3
243.02975	0.4
255.02974	29.9
256.03610	2.8
257.04538	5.1
267.02985	0.9
283.02390	0.7
284.03253	29.8
285.04031	100.0
286.04391	4.9
333.11343	0.3
411.07492	0.5
413.21692	0.4
433.44708	0.3
544.29541	0.3
544.78821	0.6
575.13947	12.3
576.14600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47471	0.3
51.68940	0.3
52.09567	0.3
59.01380	11.0
60.84156	0.3
61.98825	0.6
69.39075	2.3
70.02230	0.3
71.01383	13.2
72.99316	1.4
73.02951	1.4
83.01386	0.5
85.02949	1.6
87.00877	26.1
88.01214	0.3
96.49706	0.3
96.96019	0.9
99.00904	0.4
101.02445	1.3
104.81649	0.3
107.01387	0.4
112.98767	0.6
113.02460	1.3
115.00374	43.9
116.00690	0.4
116.92863	1.0
133.67210	0.4
135.03038	0.4
163.03976	0.4
175.02473	100.0
176.02792	3.0
227.03580	2.1
229.05057	1.0
243.01315	0.4
255.03026	2.6
257.04636	0.9
260.50980	0.3
284.03238	3.4
285.04047	11.2
286.04507	0.8
463.64111	0.3
575.13965	1.0
575.27130	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35327	1.7
57.54380	1.7
59.01379	25.1
61.98831	19.6
65.91242	1.7
71.01385	22.8
71.56924	3.1
73.02953	4.5
76.85677	1.8
83.01405	4.5
84.90118	1.6
85.02962	5.8
87.00879	17.3
89.02445	2.9
93.03461	2.7
95.01397	2.5
99.00901	4.7
101.02447	10.4
107.01357	2.1
112.36082	1.8
112.41766	1.8
112.98830	2.2
113.02449	6.0
115.00362	27.3
123.04405	2.1
125.02411	2.9
131.85069	1.8
132.48094	1.8
151.00470	3.3
161.04547	4.5
163.00423	2.2
167.03479	3.5
174.01704	2.7
175.02480	60.2
176.02844	2.4
183.04466	3.7
185.06056	2.4
192.70320	2.3
200.03627	1.6
224.57097	1.7
227.03464	21.1
229.05075	9.6
255.02991	40.2
257.04495	4.9
269.10339	6.3
283.02548	5.4
284.03238	36.1
285.04059	100.0
286.04385	6.8
387.33163	2.1
400.71735	2.3
415.16089	32.0
453.12085	2.3
575.13623	15.3
575.27625	3.7
576.13983	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	575.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03432	2.6
58.00587	4.8
59.01379	100.0
61.98832	11.2
66.93737	1.2
71.01382	56.5
72.99310	7.4
73.02946	21.1
78.95900	5.5
81.03433	2.6
83.01378	8.1
85.02959	13.4
87.00880	28.8
87.04538	1.4
88.98805	1.4
89.02445	44.8
95.01367	3.1
96.96016	31.1
96.96948	9.9
97.02950	2.0
99.04499	2.3
101.02448	36.6
103.04013	6.0
113.02444	24.8
114.47803	1.4
115.00377	38.4
115.04014	1.9
117.08820	1.4
119.03493	17.6
125.02460	1.7
131.03481	6.0
135.02971	2.9
143.03496	6.2
145.02902	1.6
145.05051	2.3
149.04510	2.2
154.06218	1.3
161.04533	6.2
162.11432	1.5
163.03964	2.2
163.06126	22.9
167.03484	8.3
175.02481	97.0
179.05597	6.0
205.07100	3.6
222.44427	1.4
227.03542	1.9
247.08287	10.5
255.02888	3.0
284.03229	3.8
285.04044	6.0
293.04630	1.8
333.70679	1.5
426.27841	1.6
575.13464	3.4
575.26862	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	575.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75069	2.0
51.04155	2.3
57.01559	2.1
57.03452	3.8
58.00599	2.2
59.01382	100.0
61.98833	13.0
69.03463	2.4
69.32012	20.2
71.01379	55.2
72.99302	9.3
73.02956	19.5
79.86256	2.0
80.54562	2.3
81.03471	2.8
83.01365	4.2
85.02949	15.6
87.00873	29.0
89.02448	35.4
95.01406	2.6
98.38433	2.5
99.00891	4.7
101.02445	38.1
103.04025	13.4
110.57222	2.1
113.02436	17.0
113.91207	2.2
115.00364	25.2
119.03483	19.8
131.03485	10.5
143.03452	7.0
145.05003	2.5
161.04547	10.7
163.04071	2.4
163.06125	47.5
175.02480	73.5
179.05580	13.9
183.00591	2.5
188.86620	2.6
194.08182	2.8
195.06560	3.2
200.56036	2.2
205.07106	10.8
209.07915	2.7
221.06680	16.4
230.79292	3.0
247.08237	19.0
284.03302	2.6
425.93692	2.4
540.32770	2.7
575.26978	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	575.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.2
59.01382	15.4
61.98831	7.6
64.99799	0.8
70.60476	0.8
70.74606	0.9
71.01380	9.7
71.56867	1.2
72.99284	1.3
73.02934	3.0
73.93437	0.8
75.00870	10.6
83.01408	3.1
85.02964	4.6
87.00871	3.5
89.02441	6.0
96.95966	0.9
99.00880	1.4
101.02448	7.4
101.06069	1.1
103.95661	0.9
107.01363	1.4
113.02444	3.7
113.06071	2.0
113.99593	2.5
115.00394	4.5
115.04005	1.0
116.81024	0.9
119.03487	2.6
119.04994	1.1
131.03459	1.0
143.03470	1.3
145.02831	1.1
148.10490	1.0
151.00346	1.6
161.04636	1.8
163.06133	5.4
166.67035	0.9
174.01695	54.2
175.02460	7.8
179.05708	1.3
181.05029	1.8
187.03961	1.2
205.07120	1.0
211.03993	1.4
217.21240	0.9
221.06567	1.6
227.03487	8.5
229.05107	4.7
235.06084	1.3
247.08163	1.9
255.03014	11.9
256.03586	1.2
257.04456	3.3
284.03241	12.0
285.04053	46.9
286.04373	3.0
357.19299	1.7
375.20096	3.8
381.13815	1.1
397.22229	2.6
427.31482	0.9
457.24734	2.0
513.61420	0.9
515.25000	3.8
533.26654	1.0
575.27100	100.0
576.27356	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	575.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.1
57.43908	3.3
58.00573	4.2
59.01377	100.0
61.98829	13.7
66.95164	2.9
70.65951	3.1
71.01385	41.3
71.56355	3.3
71.56799	3.9
72.88053	2.8
72.99292	14.2
73.02948	21.5
75.00852	5.2
75.65788	2.7
77.13305	3.1
78.95902	4.1
83.01364	4.3
85.02930	19.4
85.37263	3.3
86.66319	2.6
87.00868	11.3
89.02434	30.3
94.37601	2.8
96.96003	27.9
96.96976	6.6
99.00862	6.0
101.02444	43.8
103.04017	18.9
108.32179	3.0
113.02435	14.5
115.03978	4.9
116.92839	8.5
119.03475	16.2
125.02522	4.1
131.03462	6.7
135.04501	3.3
136.21962	3.0
143.03494	13.7
145.05080	4.6
146.16866	3.4
154.26906	2.9
161.04573	7.2
162.03209	3.0
163.04030	4.4
163.06119	73.8
175.02461	11.7
179.03435	5.1
200.95389	2.8
205.07149	13.2
221.58902	3.9
234.79665	2.8
247.08197	27.7
413.21719	3.4
437.34930	3.2
515.24451	4.7
533.26044	8.7
575.26709	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	575.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55606	0.7
59.01098	1.2
59.01378	14.0
71.01381	2.3
71.19003	1.4
73.02969	0.9
76.48109	0.8
85.02975	1.1
89.02448	2.6
97.95104	0.9
101.02435	2.8
106.70210	0.7
113.02423	1.0
175.26270	0.7
235.08165	1.6
253.09296	13.7
254.09453	0.8
279.23282	100.0
280.23486	4.5
306.54465	0.8
499.54477	0.9
544.19006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83405	1.3
53.30673	1.0
57.01182	1.0
59.01383	11.2
61.95433	1.4
61.98838	1.6
66.83526	1.1
70.42084	1.7
71.01410	2.4
78.95914	1.2
89.02444	1.8
101.02444	2.7
138.25302	1.1
155.26720	1.2
183.58890	1.2
250.21869	1.1
253.09276	12.0
279.23276	100.0
280.23495	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	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.01378	0.7
77.98889	0.4
78.98602	1.0
79.95759	1.2
80.96517	7.0
81.24733	0.4
94.98074	2.1
98.20681	1.6
106.98062	0.5
122.97626	0.4
148.99130	0.6
152.98656	0.6
154.93059	0.4
164.98672	1.6
225.00821	1.7
266.64417	0.4
277.21759	0.6
278.22192	0.4
346.67032	0.4
541.21466	0.4
577.26855	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	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19378	0.8
56.38256	0.7
61.98832	100.0
67.46918	0.7
70.15309	2.3
107.91110	0.6
233.77585	0.7
352.24686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23697	0.3
59.01378	18.0
64.60728	0.3
65.58170	0.3
69.98000	1.5
71.01388	0.3
74.11224	0.4
78.95907	7.6
89.86876	0.3
90.16131	0.4
109.13746	0.3
152.99593	1.6
168.04327	1.6
187.25554	0.4
224.06943	1.2
233.22816	0.4
242.07983	2.7
256.56110	0.4
258.07059	0.4
277.21707	100.0
278.22064	5.7
423.01257	0.4
463.90546	0.4
479.46390	0.4
502.29416	27.7
503.29715	2.7
563.88019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	26.2
65.16238	0.3
69.23091	3.1
71.01389	0.4
78.30836	0.3
78.44563	0.3
78.95903	26.8
96.96942	0.4
98.20593	0.7
122.98506	0.6
127.07684	0.4
127.17973	0.4
137.33150	0.4
138.72162	0.4
142.91582	0.4
152.99574	3.2
157.62202	0.3
168.04329	3.9
224.06912	10.9
224.09169	0.5
242.07915	2.9
275.20251	0.5
277.21707	100.0
278.22055	4.6
488.73657	0.3
502.29395	70.2
503.29782	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	577.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49970	0.5
54.65712	0.4
56.16535	0.4
58.06039	0.6
59.01388	2.2
60.99309	15.7
61.98824	6.7
63.04879	0.5
70.02345	1.1
70.02749	1.0
71.01393	1.4
79.53065	0.5
80.39384	0.4
82.73999	0.4
84.64431	0.4
88.98806	100.0
89.02445	2.9
89.99162	0.8
90.73841	0.4
93.03454	0.5
96.95993	0.7
98.19903	0.9
101.02453	0.9
111.00873	0.7
113.02434	0.5
119.03542	0.6
119.04983	2.6
125.02437	0.5
144.04523	0.8
148.90997	0.6
149.90135	0.4
150.03189	0.5
163.03990	3.9
179.07103	1.1
188.03581	0.7
191.03534	0.8
206.05783	1.2
209.08174	0.6
221.08173	1.7
250.94191	0.7
265.07047	1.2
325.09280	2.0
355.10449	2.9
398.92636	0.4
427.12289	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71223	0.9
59.01383	7.2
60.99312	17.4
61.98817	2.3
69.73435	5.5
71.01382	4.1
71.36460	0.9
72.99306	1.7
73.02968	1.5
85.02933	1.3
87.00877	1.7
87.39320	0.8
88.98810	100.0
89.02446	16.2
95.01318	1.1
98.19902	2.0
98.92866	0.8
101.02469	2.2
113.02476	1.6
119.03476	1.3
125.02448	2.4
135.04465	1.1
148.56317	0.9
179.03474	1.8
187.51816	0.9
210.63503	0.9
482.73117	1.1
535.26868	1.3
577.28595	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22146	0.2
58.23414	0.2
59.01374	0.5
61.98833	0.4
63.02399	0.4
65.00333	0.6
69.39034	0.3
83.01411	0.4
93.03445	0.3
107.01397	1.4
109.02945	0.2
132.02162	1.0
135.00890	1.0
135.67947	0.3
151.00378	1.9
159.04466	0.5
163.00345	0.6
164.01115	0.7
164.48978	0.3
178.99883	1.4
183.04547	0.8
185.06036	0.4
187.03998	0.8
189.05481	0.3
199.03998	0.4
200.04715	0.4
211.03999	1.9
213.05544	0.4
227.03496	37.4
228.03838	1.8
229.05031	1.7
239.03557	0.9
241.05078	0.5
255.02985	66.0
256.03571	6.4
257.04575	1.3
265.47235	0.3
283.02533	0.7
284.03256	100.0
285.03934	18.9
286.04437	0.7
413.08792	1.0
431.09848	0.5
533.45593	0.3
577.15619	59.5
578.15912	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	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35697	0.5
57.03448	1.0
58.00596	0.7
59.01377	20.9
61.98824	0.9
66.64302	0.4
69.82670	0.9
69.83073	2.5
71.01380	4.6
72.99313	1.4
73.02943	2.1
78.39540	0.4
83.01411	0.5
83.61028	0.5
85.02946	3.0
89.02456	3.8
94.36153	0.4
96.42785	0.4
96.96004	0.7
101.02405	2.6
103.04029	1.1
109.37698	0.6
113.02443	1.0
117.03455	9.6
119.03491	1.0
119.05037	0.8
121.02939	0.8
123.30827	0.5
128.14769	0.4
131.01402	1.8
135.04480	1.0
145.02948	0.6
149.02435	0.7
161.02425	1.8
163.00412	0.6
163.03989	1.0
173.02415	4.5
175.00360	9.0
179.05707	0.5
221.06210	0.7
239.07193	0.6
249.05602	0.6
265.04816	0.9
267.06427	0.6
269.04538	4.4
275.47070	0.5
277.37540	0.6
279.06677	0.5
281.04535	3.5
281.08179	1.8
282.05276	2.8
283.06088	6.5
293.04556	100.0
294.04874	7.0
295.06082	2.5
305.04648	0.6
309.04333	0.8
309.07651	1.2
311.05609	10.7
312.06186	0.9
314.04239	2.4
323.05615	4.7
324.06119	0.5
333.00235	0.6
335.05630	1.9
337.07144	3.1
341.06577	5.3
349.07132	0.6
353.06635	1.2
367.08334	1.9
413.08762	49.6
414.09155	3.9
431.09592	0.7
453.92331	0.6
457.11346	6.1
577.15588	55.4
578.15771	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	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.2
61.98827	0.8
63.02377	0.5
65.00331	0.6
69.36172	0.8
69.36597	0.8
73.88966	0.2
78.24178	0.2
83.01373	0.5
85.02970	0.4
89.02435	0.3
91.01864	0.2
93.03470	0.3
101.02418	0.3
105.01936	0.3
106.02148	0.2
107.01398	1.1
108.02196	0.3
113.02409	0.3
119.03576	0.2
132.02153	0.9
135.00859	1.1
151.00365	2.0
157.06656	0.2
161.04538	0.2
163.00371	1.0
164.01152	0.6
167.04939	0.2
169.98746	0.2
171.04567	0.2
172.05244	0.2
178.99866	0.9
183.04520	1.1
185.02458	0.3
185.06134	0.3
187.03999	1.0
190.99875	0.2
199.03954	0.4
200.04793	0.4
211.04015	1.6
212.04652	0.2
213.05496	0.4
215.03305	0.2
227.03481	37.0
228.03897	1.8
229.05019	1.8
239.03535	0.8
240.04224	0.2
255.02972	67.0
256.03546	7.0
257.04565	1.6
283.02405	1.1
284.03241	100.0
285.03888	18.8
286.04324	0.8
327.05295	0.3
413.08847	1.1
431.09735	0.4
577.15588	64.4
578.15942	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	577.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99461	1.4
59.01379	51.8
60.99297	5.8
61.98832	55.6
63.26434	1.3
70.72199	3.6
71.01384	6.2
73.02954	6.1
82.00618	1.2
83.01389	1.7
85.02953	3.6
88.98811	28.5
89.02453	2.9
96.96027	2.8
101.02441	3.4
111.00900	8.0
113.02438	3.5
119.05025	1.8
125.02433	2.7
131.03571	1.7
137.02455	1.7
138.03250	2.8
149.02420	3.2
163.03992	5.7
164.04807	6.9
165.05588	2.0
167.03476	2.4
175.02492	1.4
178.02745	2.1
179.03474	1.6
179.05687	3.0
179.07101	7.2
181.04906	1.5
191.03496	33.9
193.05064	3.6
196.14444	1.4
196.93413	1.3
205.05054	3.1
206.05836	38.1
207.06424	2.1
209.04477	2.6
209.08189	2.9
219.06584	3.1
221.08180	53.3
222.08437	2.4
224.06779	1.9
235.05949	2.1
239.09238	1.7
248.06868	1.7
250.04863	2.6
251.09293	1.9
263.05673	3.2
264.06332	2.4
265.07166	36.8
266.07553	1.8
270.57724	1.5
275.09174	2.9
278.07809	2.7
283.08270	5.4
291.08667	9.3
293.10263	4.4
311.11328	3.9
327.78745	1.4
337.09561	2.0
355.10327	100.0
356.10706	5.2
427.12427	8.6
445.13434	4.7
577.18109	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	577.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00751	3.2
54.45928	3.1
55.18214	3.3
55.93348	3.4
57.03440	7.8
57.16255	3.5
57.78889	3.6
59.01379	90.0
59.01680	4.5
61.98833	19.7
66.91303	3.3
69.03461	9.7
71.01382	72.4
72.99305	12.7
73.02954	19.9
75.00871	3.9
79.01894	9.7
79.40890	3.4
79.71944	3.6
80.61909	3.4
83.01387	10.7
85.02943	36.9
87.00898	11.1
89.02452	43.7
93.03478	4.7
95.01402	4.6
96.95908	3.4
97.02953	8.8
99.00900	4.6
99.04527	4.4
101.02447	47.0
103.04035	4.7
105.88924	3.6
107.01399	18.5
113.02460	38.8
119.03517	23.2
119.05003	6.0
121.30328	3.3
125.02431	15.0
131.03520	7.3
135.00891	56.5
137.02458	4.3
143.03479	15.7
151.00349	6.5
152.01149	4.4
159.03014	7.5
161.04572	25.1
163.06148	18.1
166.02686	26.8
167.03497	100.0
175.00354	6.3
175.02501	4.4
177.01871	4.4
179.05595	14.2
193.05086	6.0
193.93578	3.5
205.07191	9.4
229.60606	3.6
260.66125	3.4
295.06186	5.7
296.25870	3.5
313.06970	7.8
329.08829	6.2
367.08371	4.5
371.10022	3.9
378.69415	4.1
385.05603	3.7
415.18329	4.1
415.23325	16.2
457.13269	10.0
459.12872	4.4
475.14536	41.2
476.15103	4.7
487.12338	6.1
517.15674	26.6
517.26343	10.4
577.15546	19.2
577.28625	62.5
604.79309	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	577.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	56.8
60.99302	2.6
61.98831	48.4
66.58922	1.4
71.01395	5.8
71.55598	2.5
73.02933	3.9
83.01405	2.1
85.02937	3.3
87.00887	1.9
88.98801	25.5
89.02452	4.6
96.96017	4.9
96.96983	1.7
101.02451	3.2
111.00903	7.6
113.02466	1.6
119.03534	2.1
124.60123	1.5
125.02461	2.8
138.03287	2.0
149.02397	3.0
151.03926	1.8
153.05574	2.8
161.04729	1.7
163.03995	4.6
164.04764	6.1
165.05466	2.2
177.01947	2.1
179.03481	2.0
179.05583	3.7
179.07167	7.7
191.03497	36.4
192.04176	2.0
193.05063	3.6
205.04979	2.2
206.05817	41.1
206.07713	2.6
207.06256	2.2
209.04550	3.5
209.08182	2.3
219.06662	1.8
221.08174	60.1
222.08592	3.3
223.06125	1.7
224.06667	1.3
233.04521	2.3
235.06137	1.9
235.09697	1.8
245.04572	1.8
250.04778	2.4
251.09233	2.4
263.05743	2.5
263.09119	3.3
265.07169	37.3
265.09875	2.8
266.07288	2.2
275.09341	3.2
276.06693	1.5
278.07907	2.1
283.08249	3.2
291.08633	5.8
293.10294	4.7
311.11465	6.7
355.10336	100.0
356.10742	6.2
366.11084	1.6
427.12466	11.2
445.13452	4.4
577.17645	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	577.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.0
58.00589	1.0
59.01379	32.4
61.98826	8.3
71.01384	11.2
72.99297	1.7
73.02946	6.0
83.01388	1.3
85.02950	8.5
88.77048	0.8
89.02433	8.7
98.19869	2.1
99.00883	2.7
101.02423	9.2
103.04004	5.6
103.13596	0.7
113.02428	2.3
119.03510	2.8
145.05164	0.8
161.04550	2.0
163.06058	1.3
210.03201	9.8
210.05029	1.2
211.03992	39.5
212.04309	1.5
238.02708	8.3
239.03476	26.0
240.03693	1.1
253.05043	45.1
254.05829	88.6
255.06308	4.6
268.07355	6.7
269.08179	100.0
270.08569	7.4
271.09818	1.1
331.17606	1.1
335.09073	1.1
336.46014	1.1
402.30167	0.8
413.12268	2.4
431.13397	12.3
473.77457	1.5
477.23416	8.6
533.41919	0.8
546.80371	2.2
547.30469	1.4
577.19257	48.1
578.19684	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.9
59.01378	4.2
61.98832	1.6
62.45477	0.3
70.38535	1.1
71.01398	1.1
76.65568	0.3
81.89356	0.3
85.02967	0.8
89.02462	0.4
99.04528	0.6
101.02447	3.0
125.02444	1.1
125.09715	0.8
135.93192	0.4
161.04544	0.6
161.06030	0.3
171.10257	0.3
187.09752	0.7
191.40326	0.4
212.08374	1.0
213.05553	12.7
214.05901	0.7
227.10748	4.7
241.05058	34.0
242.05310	2.0
255.06610	1.1
256.07401	68.8
257.07721	3.2
271.09744	100.0
272.10068	4.4
280.53024	0.3
327.04974	1.0
415.14081	1.3
433.15033	17.6
434.15384	1.0
475.16043	4.9
515.19226	0.7
535.21698	0.7
577.28345	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.6
57.03458	1.0
58.00591	1.1
59.01380	27.1
60.99302	0.8
61.98829	17.2
71.01384	24.9
71.56097	0.7
72.99297	1.8
73.02944	3.8
83.01379	1.8
85.02947	6.4
87.00875	1.5
88.98814	4.6
89.02444	19.4
92.58416	0.5
95.01387	1.4
99.00874	2.0
101.01785	0.7
101.02448	12.8
103.04015	0.5
103.72234	0.4
113.02443	8.7
119.03471	6.7
121.02966	1.7
123.04518	0.7
125.02449	1.9
133.05051	1.6
135.04532	0.9
143.03505	2.8
159.02988	0.7
161.04547	13.3
164.04800	5.8
172.13234	0.5
179.05685	6.1
179.07124	100.0
180.07495	3.9
192.09723	0.5
209.08391	0.5
232.56757	0.5
235.08171	4.8
256.63272	0.6
394.96109	0.6
415.16089	20.6
416.16351	1.4
433.69455	0.5
454.81320	0.5
480.54391	0.6
508.41199	0.5
577.21558	5.5
578.22040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52970	0.7
59.01383	5.1
59.73482	0.6
61.98832	4.3
63.96215	0.9
69.25150	5.8
71.01388	6.1
73.02933	1.3
77.02054	0.6
78.95904	3.9
78.98590	5.6
79.95728	10.7
80.01836	0.6
80.96517	62.3
85.02951	3.0
87.00868	2.3
90.76289	0.7
94.98088	14.2
96.96016	1.3
97.02930	1.5
101.02439	1.6
106.98103	3.3
122.97565	1.9
125.02433	1.6
127.04048	0.8
134.97585	3.8
136.99174	1.4
145.03471	0.7
148.99118	4.9
152.98619	5.6
152.99644	0.9
157.63374	0.6
164.98618	8.7
206.99597	1.2
224.06940	1.5
225.00719	11.0
225.02716	1.0
277.21808	1.2
279.23294	20.9
293.94992	0.7
299.04358	2.0
452.48297	0.7
504.30954	14.0
521.07690	0.8
577.26855	100.0
578.27087	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	577.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.8
57.03458	3.7
58.00605	2.8
59.01381	100.0
59.54467	1.3
61.98825	12.5
65.57119	1.2
69.03471	1.6
71.01382	43.8
71.04491	3.2
72.99310	4.8
73.02950	20.7
73.57818	1.2
73.99794	1.5
75.00844	1.6
83.01390	4.9
84.33030	1.3
85.02954	18.9
86.00108	2.1
87.00878	16.7
87.04532	6.0
89.02450	35.7
95.01436	1.7
99.04566	2.1
99.82306	1.4
101.02440	43.2
103.04023	16.3
105.88303	1.4
113.02452	15.3
115.04031	6.2
116.92844	3.7
119.03503	24.1
120.99506	1.4
125.02444	2.9
127.04026	2.0
131.03505	12.6
132.27287	1.3
134.03848	1.4
135.04504	1.4
143.03510	15.1
145.05090	5.8
161.04572	8.3
163.06123	74.2
164.06491	2.3
165.01746	1.4
175.00389	1.7
179.05661	10.4
195.06598	1.3
205.07178	31.1
215.32639	1.4
221.04817	1.4
221.06711	5.4
247.08212	32.0
263.07693	3.7
285.04135	1.8
293.04584	5.7
307.10272	1.6
325.11417	1.6
415.23230	4.0
517.26587	4.5
577.15527	8.7
577.28925	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3743
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
50.47856	1.2
59.01369	3.0
61.98817	3.3
69.46059	9.5
71.93930	1.1
85.67860	1.2
89.03840	1.1
105.03470	9.3
117.03469	1.5
132.02145	4.3
133.02045	2.4
133.02962	29.7
134.03725	4.8
135.04527	3.8
137.02419	3.2
140.95581	1.4
148.05331	2.5
160.01663	22.0
161.02454	16.5
161.06079	2.6
175.02524	3.0
175.04004	52.5
177.01970	2.9
178.02730	2.3
193.05032	4.5
228.70233	1.5
289.14764	1.8
303.15784	1.6
303.58176	1.6
327.28973	6.2
353.64435	1.7
401.27036	3.8
417.33902	1.8
471.31015	6.7
485.32660	14.6
486.33023	1.6
489.32172	2.2
503.26602	2.6
503.33838	33.2
504.34338	4.1
577.37463	100.0
578.37775	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	577.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11598	0.6
59.01363	2.2
61.98820	1.1
71.56168	0.7
115.98808	0.8
125.02440	0.7
259.20529	0.8
274.85693	0.7
277.21716	100.0
278.22079	5.7
577.42389	42.8
578.42914	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	578.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23036	0.2
57.56892	0.2
61.98832	100.0
64.90160	0.2
69.47908	1.0
69.48331	0.8
83.01402	0.2
83.76940	0.2
88.98807	0.4
98.20638	0.5
111.00946	0.4
115.00385	1.0
119.05058	0.5
125.02462	0.7
135.04543	0.3
168.00652	0.4
175.02515	0.9
207.06293	0.3
212.15858	0.2
221.08179	0.3
266.07544	0.3
291.08627	0.5
331.06818	1.1
356.10791	0.3
390.99026	0.3
428.12808	0.5
455.11978	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01381	3.2
60.08578	0.2
61.98831	100.0
64.67024	0.2
65.72449	0.2
71.01384	2.2
71.56501	0.3
73.02949	0.6
83.01388	0.3
85.02972	0.7
87.00907	0.3
88.98837	0.4
89.02459	1.1
95.01435	0.3
99.04562	0.3
101.02428	1.6
108.02201	0.3
113.02448	1.1
119.03519	0.4
119.05020	0.5
123.04546	0.5
125.02523	0.5
126.82009	0.3
137.02444	0.2
145.03012	0.7
147.04550	0.4
150.03238	0.5
161.04553	0.7
161.05936	0.4
163.04039	0.4
163.06134	0.5
164.01192	1.0
165.05589	1.0
175.00381	0.3
175.02493	0.2
177.05600	0.2
179.03523	0.5
179.05672	0.3
195.06657	0.7
205.05212	0.5
205.07162	0.4
209.05972	0.4
227.03596	0.3
228.03911	0.3
252.79927	0.3
253.05045	4.2
255.03094	1.0
256.03583	0.5
269.04797	0.3
271.06146	0.9
273.07635	0.4
281.77286	0.3
284.03308	0.9
285.03796	1.5
286.04425	0.3
296.07309	0.6
296.57581	0.7
297.07376	0.4
307.08481	0.4
477.23654	0.6
578.15936	1.7
578.29553	0.3
579.16296	0.7
593.14758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98829	100.0
69.55563	0.5
69.55968	1.1
71.01389	0.6
74.11586	0.3
76.92547	0.2
85.02969	0.7
89.02443	0.5
96.73382	0.2
98.19926	0.5
101.02476	0.7
105.15986	0.2
113.02457	0.3
154.58368	0.2
175.02542	0.3
255.02998	0.5
285.04028	0.8
286.04471	0.3
296.57339	0.5
297.07266	0.3
404.31570	0.3
433.53400	0.3
578.16168	0.5
593.16302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
57.86813	0.3
59.01100	0.3
59.01380	3.8
61.98830	100.0
69.25339	2.6
71.01378	2.0
73.02964	0.7
78.95914	0.9
79.98949	0.3
83.01389	0.3
85.02949	0.6
87.00892	0.5
89.02466	1.1
98.20660	0.5
101.02450	1.3
113.02452	0.7
119.03558	0.5
125.02486	0.8
131.03455	0.3
137.02441	0.3
143.03474	0.3
147.04492	0.3
151.00398	0.7
158.92575	0.3
161.04494	0.4
163.06125	0.7
166.02687	1.9
181.05013	1.9
205.07094	0.6
219.69788	0.2
237.79707	0.2
253.05280	0.3
259.06107	0.3
269.04608	1.0
270.04874	0.6
284.03268	0.5
285.03998	0.6
378.80139	0.3
387.10852	0.4
390.17630	0.3
417.15561	3.1
429.17618	0.5
471.18799	0.4
578.28339	0.4
579.16058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.98832	100.0
64.87416	0.3
68.50642	0.2
69.65269	1.2
69.71532	0.2
71.01391	0.9
73.02973	0.4
75.43359	0.2
87.00859	0.3
88.66918	0.2
89.02479	0.8
95.01408	0.2
101.02450	0.7
107.01418	0.3
113.02465	0.3
115.04082	0.2
119.03514	0.4
120.83447	0.2
127.60236	0.2
133.89273	0.3
146.36610	0.3
151.00468	0.3
152.71277	0.2
163.06180	0.6
164.01154	0.3
171.04582	0.3
181.05072	0.3
187.04080	0.4
189.05649	0.3
197.06203	0.3
205.07182	0.4
213.05815	0.2
227.03462	3.0
229.05032	1.8
239.03598	0.4
247.87790	0.2
255.02994	5.4
256.03821	0.3
257.04504	1.0
271.02618	0.4
284.03275	4.8
284.06415	0.3
285.04044	18.5
300.02863	0.6
327.12259	0.4
339.12512	0.3
346.36615	0.3
418.94040	0.3
441.17957	0.3
519.28101	0.3
579.13525	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	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.11391	0.5
69.20251	0.4
69.24471	3.9
71.01391	1.4
78.98592	1.0
79.95296	0.4
79.95753	1.9
80.96517	10.9
85.02934	0.6
94.98080	2.9
98.19888	0.7
106.98083	0.5
122.97529	0.5
134.97588	0.6
148.99199	0.6
152.98669	0.8
164.98662	1.7
225.00781	2.2
279.23358	0.7
280.23572	0.7
299.04507	0.6
579.28448	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	578.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16839	0.4
61.70785	0.4
61.98830	100.0
68.70579	0.4
69.27937	3.7
72.42493	0.4
80.96462	0.5
95.26408	0.4
127.89923	0.4
190.69370	0.5
221.18275	0.4
279.23328	0.6
280.23639	0.6
473.79965	0.4
510.74518	0.4
579.28839	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.3
61.98843	2.4
71.12405	1.0
74.84763	0.5
78.95907	22.0
92.52787	0.5
122.98519	0.9
152.98524	0.5
152.99579	3.0
154.16832	0.4
155.15160	0.4
160.12317	0.4
164.89789	0.5
168.04349	3.2
219.85710	0.5
224.04843	0.7
224.06944	9.4
242.07996	2.2
261.22247	0.4
279.23285	100.0
280.23605	6.2
504.30981	69.4
505.31339	6.9
578.27271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67358	0.3
59.01384	15.3
59.30993	0.4
70.22616	0.5
70.22950	1.8
71.01395	1.5
71.63376	0.4
74.31805	0.4
78.95904	5.3
78.98579	1.1
79.95740	2.3
80.96517	12.9
81.03461	0.4
81.40688	0.4
81.96470	0.6
82.96097	0.7
85.02960	0.7
94.98089	3.1
104.21110	0.4
106.98115	0.9
122.97596	0.9
125.02467	0.6
134.97580	0.7
136.99132	0.4
148.99141	0.7
152.98523	0.5
152.99611	1.4
164.98605	2.2
165.98778	0.4
168.04277	1.0
173.88261	0.4
224.06923	0.8
225.00661	1.9
226.01050	0.5
242.08009	2.6
279.23294	100.0
280.23630	6.5
489.67667	0.5
493.40262	0.5
504.30978	28.1
505.31363	4.2
526.64978	0.4
578.27203	20.6
579.27032	3.1
597.81158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08801	12.5
59.92724	11.4
61.29734	11.2
61.78618	13.2
61.98829	100.0
72.31344	14.0
80.42847	11.9
89.26867	13.0
109.33170	13.1
116.28918	11.4
220.28085	13.4
339.23355	33.6
515.35400	31.7
586.02856	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	579.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82325	0.9
59.01378	5.5
60.99309	18.1
61.98828	11.2
69.23492	2.5
69.23818	11.6
71.01382	2.4
78.06502	1.2
83.01386	1.1
85.02969	1.9
88.98813	100.0
89.02461	1.6
93.52567	1.0
101.02459	2.6
102.14317	1.2
113.02427	1.4
120.56951	1.3
138.17247	1.1
161.04582	1.4
177.74808	1.0
178.43936	1.2
226.98305	1.0
271.09628	1.9
284.02982	1.1
338.87830	1.2
480.74210	1.4
579.17035	1.8
579.35779	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	579.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16370	0.3
52.68227	0.3
54.08102	0.3
59.01378	8.6
59.80106	0.3
61.98830	11.6
62.73269	0.4
63.02394	0.4
65.00334	0.5
69.71545	1.6
69.71951	0.5
73.02962	0.8
73.35902	0.3
80.56451	0.3
84.47353	0.4
89.02472	0.7
91.01921	0.3
93.03468	1.1
95.01368	0.4
96.96047	0.3
101.02441	1.3
107.01393	1.2
109.02948	0.8
113.02390	0.3
115.03954	0.4
119.03519	0.5
125.02477	0.4
129.40015	0.3
132.02225	0.3
135.00867	1.3
140.89963	0.4
143.05061	0.7
151.00389	1.5
154.04240	0.4
157.06660	0.3
159.04526	1.3
161.19655	0.3
163.00380	2.2
163.03989	0.4
163.06125	0.8
164.01173	0.4
167.05008	0.7
169.06543	0.7
171.04553	0.7
178.02696	0.7
183.04556	0.4
185.06070	2.1
187.04004	2.3
189.05600	0.7
193.05070	0.7
195.04436	0.4
197.06001	0.9
199.03957	1.0
201.05534	0.7
205.07080	0.5
211.04221	1.6
211.05995	0.6
213.05682	1.9
223.06259	0.3
227.03497	18.7
228.03825	0.6
229.05038	10.3
239.03419	1.4
240.04257	1.0
241.05055	1.8
255.02972	31.3
256.03592	3.6
257.04593	5.0
267.02994	0.6
281.08286	0.4
284.03247	28.2
285.04025	100.0
286.04373	6.6
297.07504	0.4
309.07602	1.0
312.10202	0.5
324.10013	0.4
327.12354	3.5
328.12558	0.4
339.12326	2.6
477.23267	0.5
519.27722	1.1
579.13489	32.7
580.13800	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	579.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.5
59.01367	3.7
61.98831	10.4
65.00304	0.9
68.99806	1.0
70.30290	2.0
71.01379	1.9
72.99293	0.7
73.02947	1.0
81.03462	6.3
81.58936	0.6
83.01378	4.5
85.02959	1.3
95.05011	1.3
99.41335	0.6
101.02445	0.7
107.01406	0.8
108.02148	1.6
113.02441	0.6
115.12552	0.7
120.54581	0.7
121.02972	6.2
123.04527	47.3
124.04902	1.1
125.02453	15.2
137.02475	1.1
138.03244	1.5
145.02942	0.8
149.02451	1.1
151.00349	1.8
151.03961	0.8
157.95905	0.6
162.03258	1.1
163.04031	1.1
165.05542	0.6
166.02701	1.5
167.03490	100.0
168.03806	2.6
177.05531	1.7
178.02684	0.8
179.03494	2.2
191.03462	4.1
193.05040	6.9
209.04521	1.2
218.44444	0.8
241.05075	1.6
251.05676	0.7
255.06757	0.7
256.07419	2.2
271.09689	2.0
275.05652	0.8
293.06616	1.3
297.07773	0.8
313.09247	2.2
325.07050	0.8
355.10693	4.3
370.10791	0.6
385.12808	2.6
433.27713	1.2
442.15979	0.6
457.13538	2.6
543.27954	0.8
579.17163	70.0
579.33557	4.4
580.17352	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	579.1717
Annotation	(2R)-Naringenin 8-C-alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00594	1.8
58.46534	1.5
59.01106	1.7
59.01386	26.5
59.20488	1.3
65.00332	2.4
68.47054	1.4
69.60332	10.2
71.01379	6.5
73.02942	4.8
76.15957	1.4
76.26072	1.3
83.01404	2.6
85.02933	6.8
89.02470	2.3
89.88328	1.5
93.03464	16.3
94.68201	1.3
97.02955	1.5
98.19944	1.8
103.01889	4.0
103.03968	1.6
107.01402	6.1
108.02157	1.6
109.02979	2.8
119.05030	87.0
121.02953	4.9
121.17128	1.4
123.00923	2.0
123.04436	1.7
125.02422	5.3
131.01405	25.7
135.00876	3.6
136.01682	6.0
137.02417	3.6
143.04968	4.1
145.02928	6.0
149.02419	5.7
151.00395	12.7
151.32581	1.4
161.02483	1.7
163.00354	10.1
164.01128	6.2
165.01956	5.0
175.00365	100.0
176.00677	2.5
177.01938	3.9
178.02655	2.1
187.03987	2.3
189.01971	10.6
190.99947	1.5
191.03543	1.9
193.01421	19.9
201.01939	2.6
205.01387	4.9
210.01491	1.7
212.33762	1.4
217.01381	4.8
219.02946	4.3
223.02467	2.0
247.02385	1.7
248.31525	1.4
271.06134	10.8
283.06161	6.5
284.06772	3.5
295.06107	89.4
296.06439	6.2
312.06271	2.9
313.07172	81.5
314.07532	6.6
323.05627	1.4
325.07141	8.4
337.07193	5.0
343.08246	26.4
353.04489	1.5
355.08145	1.8
367.08044	1.8
397.09329	2.3
415.10287	16.6
433.11435	3.6
459.06433	3.2
459.12949	56.8
460.13129	4.7
482.08441	1.6
488.89157	1.8
579.17169	90.8
580.17383	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	579.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.9
65.00334	1.8
68.97352	1.7
71.01377	4.6
71.51664	2.3
73.02950	1.8
81.03417	1.6
82.46472	1.9
85.02956	3.8
87.47812	2.0
89.02470	3.1
93.03456	13.6
95.39700	1.8
97.02966	1.6
103.01896	2.4
107.01377	3.3
109.02950	2.7
115.58219	1.4
119.05022	73.6
120.05328	2.5
120.70390	1.7
121.02975	2.5
125.02444	5.2
131.01379	22.6
134.40855	1.6
135.04651	2.1
136.01642	6.6
137.02461	4.3
145.02948	2.0
149.02411	7.0
151.00346	12.4
157.44516	1.8
163.00371	8.2
164.01151	6.7
165.01912	6.8
166.02721	3.7
167.03499	1.6
175.00366	80.5
176.00696	2.4
177.01930	5.0
179.03413	2.3
181.05066	4.7
181.06682	2.0
187.04022	2.7
189.01883	6.7
191.03532	2.1
193.01422	17.5
201.01974	3.0
205.01433	5.0
217.01387	4.7
223.02505	3.1
271.06067	12.0
283.06067	2.4
284.06790	5.3
295.06100	83.5
296.06555	3.9
312.06363	3.6
313.07162	82.0
314.07593	6.0
321.99380	2.1
325.07132	6.2
326.07788	1.7
337.07086	6.7
343.08197	25.7
397.09061	1.9
409.73932	1.8
415.10297	15.0
417.15399	5.3
433.11194	3.1
459.12994	54.1
460.13205	5.2
579.17181	100.0
580.17334	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08731	1.6
55.01869	1.9
58.00596	1.7
59.01377	30.0
59.56298	1.6
59.65936	1.6
61.98828	42.3
63.02409	2.9
65.00314	12.1
69.84243	3.3
69.84636	5.2
71.01385	28.2
73.02956	5.2
81.69293	1.7
83.01396	11.9
85.02959	12.2
87.00892	2.4
89.02438	13.7
93.03450	5.0
95.01392	4.7
98.20585	3.2
99.00885	2.6
101.02441	15.7
107.01396	25.4
108.75036	1.7
109.02995	2.5
113.02437	13.7
119.03588	3.8
119.05033	43.6
121.02959	2.5
123.04523	5.7
125.02435	6.1
137.02394	5.4
143.04942	2.0
145.02942	5.8
149.02441	1.7
151.00369	100.0
152.00757	3.5
152.04745	2.1
161.04549	8.0
161.05820	2.0
165.01859	3.9
166.02719	37.9
167.03531	2.0
177.01958	10.3
181.05058	42.2
185.06145	2.3
187.04012	2.4
227.07182	2.1
229.08676	8.5
253.05077	3.5
271.06091	58.2
272.06320	3.6
313.07251	2.6
359.11578	1.7
369.78833	2.0
373.09122	2.0
373.22275	3.6
387.10788	6.4
402.13123	3.5
417.15540	56.5
417.24402	13.5
418.16122	3.8
441.17648	4.8
459.11536	25.7
471.18768	2.1
519.27954	9.9
537.19684	3.7
579.17108	82.8
579.30145	46.9
580.17389	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	579.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.0
61.98832	64.4
62.23668	1.3
64.93187	1.4
68.49211	1.4
69.48777	8.2
71.01379	13.3
73.02937	6.4
75.00862	2.6
83.01398	2.1
85.02958	7.4
87.00859	5.2
88.98793	1.3
89.02454	6.3
90.28210	1.3
92.46848	1.3
95.01402	1.8
99.00870	5.4
99.92590	12.4
101.02449	8.4
103.03999	1.8
109.95286	1.2
113.02443	4.9
116.07169	1.6
116.92862	100.0
117.01941	12.2
117.92877	2.7
119.03519	3.0
135.00911	1.4
138.03185	1.9
160.39813	1.3
161.04567	3.6
165.05536	1.4
167.03482	5.8
191.59889	1.1
193.04939	1.4
195.06430	1.5
213.05574	4.8
241.05069	12.9
255.06546	3.7
256.07404	23.9
257.07886	1.9
271.09769	24.2
331.18011	1.8
386.38257	1.4
433.15286	2.4
477.23315	9.1
519.24786	5.2
579.20471	8.9
579.28290	2.1
583.50299	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
60.81627	0.9
61.02246	0.9
61.98830	17.4
68.99816	17.6
69.67017	5.1
71.01382	1.4
80.87887	1.0
83.01376	1.1
85.02945	2.2
89.02463	1.7
95.01405	1.4
97.02934	0.8
98.20593	1.8
101.02434	2.6
108.02170	28.4
109.02983	5.0
117.03461	1.4
119.05081	1.7
121.02985	1.6
122.03729	4.5
123.00883	10.3
123.04529	27.0
132.02184	5.2
133.02972	1.0
138.03230	26.1
147.04530	3.6
148.01660	1.7
150.03230	14.8
153.05556	1.4
161.02428	9.1
161.04567	1.3
162.03217	21.3
163.03999	10.3
165.05580	1.9
167.03488	1.0
175.02718	1.0
175.03978	5.1
176.04797	1.5
177.05566	36.5
177.07118	1.9
178.02704	31.2
179.03444	2.8
190.06418	2.4
193.05048	100.0
194.05367	5.1
194.18263	0.8
213.05551	2.0
217.05061	1.0
218.05833	16.2
219.06235	1.1
222.05345	4.6
231.06558	2.1
238.06403	2.1
241.05019	5.7
241.71649	1.0
253.04927	1.5
254.05788	1.7
255.06546	1.7
256.07346	6.5
265.04926	2.3
266.05887	3.2
271.09711	9.0
278.05783	4.0
279.06500	1.7
281.04654	1.9
281.08124	3.7
282.05316	1.6
291.06558	1.2
293.07935	1.3
295.06281	1.3
297.07755	1.8
306.05234	6.0
307.06070	6.5
308.06824	1.2
309.04062	2.1
309.07663	1.7
310.04758	2.6
320.06961	2.5
321.07681	16.9
322.04834	1.5
322.08319	4.1
324.06357	3.5
324.09869	1.0
325.07202	14.5
335.09201	2.2
336.10010	7.4
337.07153	12.8
337.10764	2.2
338.07773	1.3
339.08682	5.9
340.09567	10.0
352.09406	5.1
354.11038	11.5
355.11844	27.5
356.12186	2.3
367.11816	37.6
368.12207	2.5
384.12323	1.3
385.12964	1.4
479.23938	1.2
519.16864	1.8
531.16272	2.2
549.17181	4.2
561.17902	1.2
579.09564	1.8
579.18829	35.9
579.33612	2.0
580.19427	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.1
61.98830	51.9
71.01377	7.0
71.37324	4.7
72.99305	6.2
78.95895	19.2
83.01392	2.3
85.02946	3.5
88.64829	2.4
88.98804	9.6
89.02422	2.7
96.96024	15.0
96.96960	21.6
96.97529	3.5
98.19936	2.4
107.79321	2.2
113.02504	3.1
114.65416	2.4
119.04937	2.3
124.01544	3.3
125.02460	4.8
130.10129	2.5
134.04701	5.9
139.00360	2.5
151.03973	6.7
161.02432	2.5
162.03250	18.2
163.04018	3.8
168.00699	3.9
169.85304	2.5
177.05519	6.2
179.03532	4.0
180.04282	56.6
195.06622	100.0
196.06981	5.6
209.74962	2.6
211.79999	2.7
227.92293	2.7
271.09872	2.6
331.06772	6.2
357.11905	61.5
358.12067	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16142	0.3
57.03467	0.3
58.00593	1.2
59.01379	33.2
60.82179	0.3
61.55561	0.3
71.01380	7.6
72.99315	1.2
73.02953	4.2
83.01398	0.6
85.02959	6.2
87.00886	0.4
89.02437	6.5
89.85812	0.3
97.02950	0.7
101.02446	7.7
103.04010	5.2
113.02462	0.4
119.03492	2.1
127.04005	1.0
145.05054	0.7
163.06154	1.5
167.02313	0.3
185.41263	0.3
211.04053	0.4
212.04715	1.6
213.05563	25.0
214.05914	0.8
227.07153	1.2
240.04291	2.9
241.05058	55.0
242.05341	3.0
254.05891	0.9
255.06624	15.2
256.07401	100.0
257.07739	5.7
269.08194	1.1
270.08997	3.9
271.09747	96.4
272.10062	5.6
293.08069	0.5
313.10754	2.7
337.10736	1.5
393.99579	0.4
415.13931	3.5
433.15039	15.5
434.15387	1.3
579.20795	43.9
580.21136	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	579.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.1
61.98832	64.7
69.42966	7.3
71.01379	4.1
72.99326	0.8
73.02938	1.5
73.82652	0.8
77.20483	0.9
85.02952	1.8
89.02441	2.4
95.01376	1.6
100.73438	0.8
101.02422	2.8
109.02946	2.1
111.00886	0.9
113.02438	1.7
119.05003	3.7
121.02997	1.0
123.00878	2.8
123.04499	2.0
125.02430	1.9
137.02452	9.6
149.02377	1.6
150.03181	1.0
150.57643	1.0
151.00366	19.6
151.03989	1.8
152.04790	2.9
161.04628	1.4
165.01967	1.1
166.02711	55.9
167.03294	3.5
175.00346	1.7
177.01897	2.3
179.03551	1.2
181.05066	73.1
182.05373	1.6
190.06407	1.0
192.04233	0.9
193.05084	0.9
205.05112	1.2
205.08792	0.9
217.72787	1.0
229.08649	3.1
255.02739	0.9
269.04541	1.6
271.06204	1.2
285.04138	1.8
294.14215	0.9
295.06085	2.2
313.07184	2.5
359.11401	1.6
387.10867	13.6
402.13156	7.6
417.15546	100.0
418.15869	10.1
441.17593	1.8
459.13098	1.8
504.09915	1.2
537.19830	1.1
579.16840	3.6
579.29901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15356	0.6
57.03466	0.9
59.01380	100.0
60.01706	0.8
61.98830	7.3
63.44780	0.7
65.00335	0.8
69.42343	5.2
71.01393	2.9
73.02966	1.4
85.02940	1.3
89.02457	1.6
93.03449	1.2
101.02451	1.6
113.02435	0.9
114.93414	0.8
119.05009	5.8
121.02987	1.7
125.02472	1.3
126.90456	3.2
131.01395	2.1
150.03210	0.9
151.00397	1.5
161.04622	1.1
161.21037	0.7
163.00360	1.0
175.00351	6.8
175.04012	1.7
181.52635	0.7
190.06470	0.8
193.01541	0.7
227.03484	4.9
251.07251	0.8
255.03014	8.6
256.03506	1.0
263.07111	1.1
269.08286	1.7
279.06793	1.6
281.08347	2.7
282.08871	0.9
284.03241	11.4
285.04004	5.5
293.08325	1.0
294.09155	1.9
295.06125	5.8
296.10385	0.8
297.07712	8.3
306.60928	0.7
308.10471	1.4
309.07761	13.4
309.11343	3.0
310.08194	0.9
312.10074	9.6
313.07181	6.0
313.10165	0.9
323.09326	2.4
324.09982	9.8
327.12360	41.1
328.12830	2.7
339.12357	38.7
339.16537	1.0
340.12793	1.7
415.10367	1.0
459.13037	3.9
462.94821	0.7
579.16034	10.4
579.29736	1.3
580.14832	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	579.2085
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
59.01371	4.9
61.98828	35.4
64.86894	0.6
71.01380	3.4
73.02912	1.0
74.66897	0.8
78.59525	0.7
79.50921	0.7
83.01401	0.6
85.02956	1.1
85.99293	0.7
86.91082	0.7
89.02430	1.4
95.01423	0.8
100.96593	0.9
101.02480	1.6
109.02970	2.1
113.02411	0.8
119.05003	2.3
121.02950	0.9
123.00874	1.6
123.04520	1.6
125.02406	1.1
137.02449	8.7
139.00340	1.1
149.02391	1.1
150.03183	0.8
151.00378	19.4
151.03996	0.8
152.01077	2.3
152.04773	1.8
161.04530	0.8
165.01932	1.8
166.02708	59.3
167.03377	3.5
174.03171	0.8
175.00322	0.8
175.03922	0.9
177.01918	3.0
179.03415	0.7
181.05058	75.0
182.05469	1.8
184.03719	1.4
190.06361	1.5
191.03523	1.1
192.04239	1.3
193.04974	1.5
205.05138	1.3
205.08691	1.8
207.06630	1.6
229.08672	2.6
243.31314	0.8
269.04388	1.1
285.03986	2.1
295.06174	1.0
313.07339	1.6
359.11325	2.0
387.10812	15.1
388.11139	0.9
402.13098	8.6
402.97839	0.9
417.15524	100.0
418.15948	7.2
441.17645	1.4
459.12579	1.2
483.03046	0.9
579.16809	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	579.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.1
55.47877	2.0
57.03432	5.8
59.01381	100.0
61.98827	23.5
63.98586	2.3
69.24929	2.3
71.01383	93.4
72.99332	5.3
73.02943	24.3
73.45909	2.4
83.01384	26.4
84.95016	2.4
85.02951	43.8
85.08916	2.4
87.00868	5.7
87.04568	3.2
89.02443	30.3
93.03347	2.3
95.01379	21.6
97.02953	3.7
99.00868	13.2
101.02443	63.9
109.02969	2.5
111.00895	5.7
113.02452	53.5
118.13097	2.3
119.03484	9.5
125.02437	8.9
127.00372	7.4
128.08984	2.2
131.03447	3.0
139.00369	14.3
143.03468	6.6
145.03012	2.4
147.04527	2.4
157.01395	4.2
158.87505	2.8
159.03018	6.5
161.04549	33.6
161.67323	2.4
179.05618	7.6
207.66571	2.4
253.05119	6.8
269.04480	2.8
331.17654	11.8
375.19092	2.8
381.34967	2.3
417.24973	47.1
418.25543	3.1
441.17572	34.0
471.18686	15.7
477.23462	74.7
478.23730	4.8
489.14081	5.7
537.29364	3.3
579.16486	4.4
579.30231	75.7
579.39349	4.0
580.30438	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	579.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02526	5.7
58.84377	5.6
59.01382	61.1
60.99311	5.3
61.98829	97.0
69.38036	5.6
70.23220	4.8
71.01385	36.0
71.01717	6.0
71.56691	7.3
72.71445	6.4
72.99313	66.2
73.02946	17.3
73.89327	5.5
75.00887	10.5
83.01390	16.1
85.02941	14.7
87.00883	10.3
88.98821	62.4
89.02441	17.1
89.99143	5.9
91.00400	6.0
93.03466	6.3
101.02448	20.3
103.04037	8.5
107.01370	9.3
108.02171	7.5
109.02977	6.6
111.00876	10.0
112.98801	19.2
113.02449	8.6
113.99555	7.8
117.03476	22.8
119.03506	7.2
119.05025	36.8
125.02487	9.2
131.03517	5.6
143.03513	10.9
145.02948	100.0
149.02415	10.8
150.03229	43.5
151.00371	60.4
151.04008	9.1
156.00639	16.2
161.04497	8.2
163.06134	7.9
164.01030	7.3
164.04819	7.8
165.05568	38.3
177.01910	8.7
193.01485	6.0
195.06624	18.2
205.07249	11.8
207.06638	7.1
227.07071	5.5
240.04228	9.5
254.05745	5.5
255.06543	22.2
271.06125	30.4
277.32761	6.3
417.11823	78.3
425.51114	6.2
459.11533	7.5
475.21664	10.0
493.22705	9.7
545.20276	6.5
579.17371	67.6
580.17273	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	579.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
56.71707	1.4
57.03442	3.6
58.00579	3.0
59.01382	100.0
61.98833	95.6
65.00323	1.8
69.03471	2.3
71.01383	77.9
72.99311	3.8
73.02946	16.1
75.00889	1.6
83.01397	22.3
85.02953	29.8
87.00908	3.2
89.02451	33.0
93.03455	2.1
95.01389	22.6
97.02969	1.4
99.00883	8.5
99.98951	1.6
101.02451	43.8
109.02879	1.8
111.00877	5.3
113.02452	37.1
119.03526	11.8
119.05017	3.4
121.02963	1.7
125.02430	5.8
127.00378	6.4
129.01933	3.5
131.03419	1.7
136.01694	3.1
137.02394	2.1
139.00360	15.7
141.51118	1.7
143.03503	4.5
145.02937	3.2
151.00360	4.8
151.04001	7.6
157.01375	4.4
159.02988	2.9
161.04578	18.4
163.06216	1.5
164.01160	3.8
165.05659	1.5
166.02682	3.4
171.35703	1.5
175.02472	1.4
177.01892	2.0
179.05605	6.4
181.04996	7.2
229.08679	6.9
233.65096	2.0
247.04282	1.9
253.05070	7.7
258.24338	1.5
271.06207	4.2
331.17743	3.2
357.13397	4.5
417.16034	12.5
417.24951	29.8
418.25552	1.7
418.73410	1.6
441.17645	30.6
442.17758	2.4
471.18649	15.5
477.23502	8.3
489.13953	2.0
519.24335	8.1
579.16821	7.2
579.30237	96.2
580.30646	6.4
601.05536	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.5
58.00586	2.8
59.01379	87.6
61.98831	38.6
66.36765	2.6
71.01382	38.8
73.02955	14.6
83.01394	5.9
85.02971	19.5
87.00854	7.1
88.98811	7.7
89.02449	14.7
95.01388	5.4
97.02982	3.0
99.00903	3.8
100.67104	2.3
101.02445	28.6
103.03379	2.1
103.04021	5.1
113.02462	18.3
115.03990	2.9
116.92809	3.4
119.03513	4.9
123.00845	5.0
125.02442	4.0
131.03467	5.6
138.03229	6.6
143.03484	6.8
150.03212	5.2
153.05550	6.9
161.04538	7.8
163.06126	5.5
165.05568	4.6
177.94627	2.3
189.86362	2.4
197.06015	3.2
198.55600	2.5
199.03868	3.9
205.07217	7.8
213.05580	6.2
221.06660	2.2
229.54681	2.5
240.04291	23.7
241.05132	14.8
247.08211	4.4
255.06644	62.8
256.04715	3.8
256.07416	55.3
257.08038	5.7
271.09763	100.0
272.10107	6.6
313.16684	3.7
331.17593	10.8
373.18613	6.4
383.11282	4.5
415.14148	3.0
433.15097	5.3
443.22858	2.5
477.23349	42.1
519.24207	21.8
532.32397	2.6
543.28320	2.7
579.20856	55.8
579.30054	7.7
580.21063	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	579.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.7
57.03426	5.7
59.01379	94.4
61.98833	29.0
69.42093	19.0
71.01384	75.7
72.99313	5.8
73.02943	19.8
74.04376	2.3
78.00786	2.0
80.86399	2.7
81.03455	3.6
83.01395	22.8
85.02951	32.8
87.00852	4.5
89.02452	20.8
95.01396	22.3
99.00871	9.5
101.02444	46.1
101.93299	2.6
109.02959	4.4
111.00853	6.1
113.02444	39.2
119.03501	8.0
121.02950	4.2
125.02402	7.2
127.00347	4.7
127.03949	3.0
131.03516	3.9
139.00406	15.5
143.03502	5.6
145.23656	2.7
152.19891	3.6
157.01459	3.7
159.03024	7.5
159.84898	2.3
161.04533	23.3
179.05688	3.3
229.03535	3.0
253.05116	4.4
265.14352	2.8
285.04025	2.3
298.99524	2.5
331.17569	14.2
369.74826	2.3
391.23273	2.9
417.25009	21.0
418.25259	3.3
441.17542	21.5
442.18509	2.7
471.18906	13.4
477.23373	100.0
478.23553	8.2
489.13885	4.8
519.28375	3.1
537.29120	5.2
568.26483	2.5
579.16833	7.3
579.30267	35.6
580.30359	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	579.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.0
61.98828	80.4
64.80563	1.7
69.68417	1.9
71.01380	15.3
73.02935	11.8
75.00876	4.9
83.01397	2.8
85.02953	6.9
87.00887	3.3
88.03971	1.8
89.02438	7.1
97.02955	2.1
98.19931	4.6
99.00862	6.8
99.92590	11.5
101.02434	8.0
103.04005	2.2
113.02438	7.1
116.92864	100.0
117.01952	13.8
117.05578	2.4
117.92846	5.3
118.33971	1.7
119.03440	2.4
119.04955	2.1
150.03163	1.7
161.04561	5.0
167.03502	7.5
187.03960	2.1
204.93533	1.9
206.83698	1.6
209.16937	1.7
213.05556	6.6
219.32423	1.8
229.55548	2.1
241.05118	15.4
255.06624	4.3
256.07404	21.3
271.09720	26.6
272.10077	2.3
433.15298	3.5
477.23328	13.5
519.23853	12.5
579.20770	13.8
579.30389	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	579.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	47.3
61.98827	100.0
71.01379	21.4
73.02946	12.5
83.01389	5.8
85.02964	9.2
87.00872	6.4
87.04518	2.0
89.02450	9.7
92.72308	1.7
95.01369	3.2
97.02959	1.5
101.02448	19.7
103.04030	5.0
113.02477	7.6
115.04036	4.1
119.03522	4.4
121.11200	1.5
123.04562	2.6
125.02427	9.7
131.03474	5.6
143.03481	9.4
143.21967	1.8
161.04526	2.5
163.06126	19.8
205.07152	13.8
212.23524	1.6
227.03517	4.8
229.05125	2.3
229.08646	4.5
247.08185	7.1
255.03050	6.4
259.06137	4.5
269.04584	4.8
284.03311	5.9
285.04031	15.5
287.05746	3.2
300.02740	3.1
343.20944	2.0
433.24686	2.0
441.17691	3.2
471.18597	2.1
477.23230	6.3
535.31586	2.0
537.19977	2.3
546.74860	1.7
579.13666	7.7
579.30170	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	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98095	0.6
58.35971	0.7
59.01374	3.2
61.08242	0.7
61.98828	8.0
63.96233	1.2
70.57171	0.6
71.01379	9.6
71.55604	0.7
73.02949	1.7
78.95891	1.3
78.98607	4.8
79.95739	9.7
80.96516	69.1
81.03421	0.8
83.01402	0.8
85.02938	3.4
87.00883	4.4
89.02435	1.3
94.98086	16.1
96.96006	1.2
97.02931	1.3
101.02420	3.4
106.98112	3.2
110.90964	0.6
111.31686	0.6
113.02460	1.4
122.97581	4.0
125.02438	3.6
134.97594	4.3
136.99120	1.4
143.03584	0.8
148.99124	6.5
152.98625	5.0
164.63153	0.6
164.97322	0.8
164.98634	11.4
206.99672	2.3
225.00746	12.0
255.23335	4.5
279.23206	1.9
281.24814	2.7
299.04410	3.4
341.10803	0.9
444.08569	0.7
506.32602	2.5
579.28418	100.0
580.28754	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.5
57.03442	5.0
57.48524	1.5
59.01378	60.8
61.98833	18.0
69.58888	1.4
70.24284	1.1
71.01382	79.6
72.99313	4.4
73.02949	21.8
73.36761	1.4
75.00859	2.1
81.09540	1.4
83.01389	16.2
85.02949	37.2
87.00871	5.5
89.02443	30.0
95.01383	15.4
97.02940	4.0
99.00888	9.0
101.02445	47.8
111.00892	3.1
113.02447	36.8
119.03485	10.4
119.05048	1.7
123.04520	1.3
125.02456	6.2
127.00417	2.0
129.01962	2.5
131.03500	2.6
139.00378	6.7
143.03500	4.9
151.03983	2.2
159.02977	4.5
161.04564	29.3
164.01122	3.5
169.01413	1.2
179.05630	6.9
179.06990	1.6
181.05038	1.8
193.04979	1.4
221.06664	2.7
229.08632	3.0
253.04967	5.2
255.19711	2.5
297.36014	1.4
357.13583	1.7
417.24911	73.0
418.25360	8.0
441.17737	10.3
471.18878	5.1
477.23581	3.0
489.13779	3.9
579.30194	100.0
580.30389	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	579.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.8
57.03441	5.6
58.00590	1.5
59.01382	74.9
61.98830	47.2
61.99157	2.1
64.15728	1.1
68.99780	1.1
71.01385	79.3
71.56609	2.0
72.99303	4.1
73.02950	14.2
75.00873	1.5
83.01388	17.6
85.02954	31.0
87.00887	3.7
87.04518	2.3
88.98831	1.8
89.02447	32.8
95.01385	14.2
97.02941	2.3
99.00877	5.6
101.02446	45.4
107.33640	1.1
109.02956	1.5
111.00892	3.0
113.01713	1.9
113.02462	32.3
119.03498	13.6
119.04974	2.1
121.02931	1.7
122.03707	3.1
123.00829	1.4
125.02465	6.4
127.00363	2.4
129.01950	2.2
131.03548	1.6
136.01701	2.6
137.02406	1.9
139.00395	6.4
143.03523	3.7
145.02960	3.3
151.00388	2.2
151.03990	4.7
159.02963	4.4
161.04587	22.6
163.03993	1.4
164.01128	1.7
165.01878	1.2
166.02707	2.6
179.05612	4.8
181.04997	2.2
183.02501	1.1
190.02731	1.2
201.17923	1.2
229.08723	7.4
253.05147	5.9
255.19553	1.9
271.06018	3.6
285.03983	3.0
357.13483	5.4
387.11017	1.5
417.15512	3.9
417.24896	55.6
418.25320	3.2
441.17612	15.0
442.18262	2.5
460.12625	1.3
471.18896	8.6
477.23370	5.1
489.14078	7.0
491.60342	1.4
518.92230	1.2
537.19543	2.4
579.16290	3.3
579.30206	100.0
580.30511	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	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48000	0.1
59.01377	0.2
61.37333	0.1
61.98832	100.0
62.08627	0.1
62.98527	0.2
70.56573	0.2
70.56963	0.4
75.49553	0.1
78.95905	0.8
98.20557	0.2
104.76015	0.1
109.42569	0.1
118.18760	0.1
136.43468	0.1
152.99640	0.4
255.53426	0.1
264.07822	0.1
277.21759	1.6
278.22095	0.6
279.22443	0.3
396.87006	0.1
438.01108	0.1
441.18057	0.1
502.29361	1.0
503.30200	0.2
504.30579	0.2
505.30325	0.6
579.31427	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37941	0.1
59.01374	0.3
61.98831	100.0
69.27636	1.4
77.44078	0.2
78.95914	0.3
98.20584	0.3
102.78947	0.2
108.44589	0.2
152.99608	0.5
277.21707	2.2
278.22165	0.6
279.22342	0.2
327.27573	0.2
502.29459	0.5
505.30371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69446	0.6
57.03440	1.0
58.00581	0.7
59.01384	12.8
61.98829	8.1
62.80882	0.7
69.03462	0.9
69.35047	5.6
71.01386	13.3
72.99287	2.0
73.02935	3.1
75.00871	0.8
77.82590	0.6
82.97801	0.8
83.01389	2.3
85.02959	4.7
87.00877	2.9
89.02462	1.6
91.73685	0.6
95.01399	1.6
97.02933	0.7
98.19806	1.1
99.00861	0.7
101.02436	5.2
111.00873	0.9
111.07887	0.7
113.02412	2.6
125.02433	2.0
131.03452	0.8
139.24698	0.7
143.03485	0.7
163.03897	0.9
165.05528	1.6
183.17770	0.6
184.57732	0.6
253.21739	2.1
271.22772	23.6
272.23148	1.5
285.24344	0.8
313.23764	0.9
415.27005	5.1
433.28067	23.6
434.28268	3.0
579.33844	100.0
580.34265	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	579.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77202	1.4
53.23034	1.5
53.93372	1.4
59.01371	12.2
70.88877	3.6
71.01386	3.4
71.02579	1.4
72.19990	1.6
85.02888	1.6
89.02451	2.4
101.02469	3.2
105.74937	1.8
112.16983	1.7
116.92850	11.6
129.72574	1.8
164.11156	1.6
173.04857	1.7
192.19902	1.4
235.08173	2.6
238.36639	1.8
253.09276	16.1
262.06021	1.4
275.68362	1.6
283.26434	100.0
284.26740	6.5
425.95673	1.8
507.27289	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	580.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98830	100.0
65.59924	0.2
71.01402	0.4
71.25867	0.2
71.56712	0.3
101.02462	0.5
117.03480	0.2
121.02953	0.2
134.03755	0.4
145.02979	0.8
146.03348	0.3
160.01692	0.2
160.45998	0.2
175.04010	0.5
187.33037	0.2
193.05081	0.6
243.16899	0.2
382.15506	0.2
417.11945	0.3
418.12314	0.3
434.47296	0.2
517.15942	0.8
552.89886	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
61.98831	100.0
71.01383	0.6
72.99316	1.0
75.00895	0.3
76.44991	0.3
83.01383	0.7
85.02971	0.6
98.20685	0.6
101.02463	0.6
109.64193	0.3
112.98844	0.4
113.02419	0.6
145.02980	1.3
146.03317	0.6
150.03236	0.6
165.05573	0.9
175.02461	0.7
195.06662	0.4
240.04105	0.7
241.04836	1.2
242.06010	0.4
253.05161	0.5
254.05905	0.4
255.06621	1.8
256.07086	2.7
271.09790	0.5
379.10550	0.5
417.12048	0.6
418.12231	2.0
419.13214	0.5
424.01990	0.3
580.17444	0.9
581.16931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93536	0.2
59.01379	0.4
61.98830	100.0
65.23019	0.2
65.55692	0.3
71.55840	0.3
71.56219	0.3
78.95940	0.3
82.39070	0.3
88.98791	0.4
96.75394	0.2
96.96022	1.1
96.96947	0.4
99.73887	0.2
101.48247	0.3
101.50195	0.2
102.87130	0.2
113.02470	0.3
125.02476	0.3
132.03049	0.9
133.32433	0.3
160.53741	0.3
168.00684	0.4
168.62746	0.3
175.02591	0.3
331.06857	0.5
332.07101	0.7
412.12823	0.3
423.87732	0.3
580.12903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58719	0.2
53.76013	0.2
59.01376	0.8
61.98832	100.0
62.98528	0.3
69.47886	1.3
70.26682	0.2
71.01400	0.6
80.83158	0.2
89.02483	0.3
89.65452	0.2
103.83613	0.3
119.03516	0.2
189.08701	0.2
225.25021	0.2
227.07149	0.7
228.07526	0.9
232.36694	0.2
257.08185	2.1
267.67630	0.2
419.13669	0.7
580.17529	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70883	0.2
59.01376	4.2
61.98830	100.0
63.50576	0.2
69.34312	1.9
85.91323	0.2
88.53827	0.2
91.31583	0.2
93.03535	0.2
101.02433	0.2
116.92854	1.2
119.05066	0.4
136.76212	0.2
150.03415	0.2
158.85220	0.2
175.04073	0.4
176.34486	0.3
177.64940	0.2
179.07181	0.6
180.04237	0.2
188.31175	0.2
189.05588	0.2
190.06358	0.4
205.08736	0.3
247.10667	0.2
298.08087	0.3
310.08148	0.3
313.10712	0.4
325.10178	0.3
327.12427	0.6
328.12814	1.0
334.94910	0.2
339.12292	0.5
340.06262	0.3
340.12796	1.2
346.10034	0.3
389.16162	2.4
460.13470	0.7
490.14478	0.8
580.17938	0.6
581.16394	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
78.95937	0.4
80.96516	1.1
86.48650	0.4
87.98490	0.3
96.96033	0.6
127.51307	0.4
136.20413	0.3
141.97504	0.3
161.07655	0.3
207.76642	0.3
229.41574	0.3
282.25262	0.6
283.25726	0.4
310.24509	0.3
311.42059	0.3
425.56931	0.4
581.29572	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	580.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48092	0.5
50.76196	0.6
59.55907	0.6
61.98829	100.0
69.89747	0.6
71.01388	1.8
71.05010	1.2
78.98592	1.6
79.95711	2.7
80.96516	19.6
85.02969	0.8
87.00894	1.0
94.98086	5.2
96.96026	1.6
101.02429	1.1
106.98115	1.0
109.58658	0.6
122.97540	0.8
134.97615	0.9
136.23178	0.6
148.99153	1.8
149.21770	0.6
151.51169	0.5
152.98633	1.7
152.99744	0.5
164.98625	2.1
169.11615	0.5
225.00682	4.3
281.24936	0.9
282.25275	0.7
345.18259	0.6
571.07635	0.6
581.29968	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	14.0
61.98829	25.4
62.98537	1.0
63.99245	2.1
69.25529	1.6
69.25949	5.1
71.01379	6.0
73.02938	1.5
78.95902	3.9
78.98595	5.9
79.95728	8.5
80.96517	57.5
81.03455	1.0
81.96432	1.3
82.96105	2.7
85.02967	1.8
87.00891	2.2
89.14611	0.7
94.98089	12.5
96.96033	0.9
96.97730	0.7
97.02991	0.8
98.19850	1.3
101.02466	1.8
106.98094	3.1
108.59176	0.7
122.97586	2.3
125.02485	2.0
133.45169	0.7
134.97554	4.5
136.99130	0.9
144.92728	0.6
148.99158	4.4
149.99408	1.0
152.98582	3.6
153.98947	0.7
164.98628	9.1
165.98857	1.2
166.98105	1.0
167.00392	0.8
206.99692	1.2
224.06967	0.7
225.00719	9.8
226.00999	3.4
242.07974	2.3
280.23697	1.2
281.24857	91.9
282.25250	5.4
299.04617	1.0
506.32498	26.5
507.32632	2.5
529.19287	0.7
580.28760	100.0
581.28442	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	580.363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45352	0.6
59.01379	17.5
61.98831	6.0
70.88708	1.7
74.74628	0.7
77.04745	0.6
78.95903	18.0
79.95756	0.8
80.96515	2.6
103.08663	0.7
152.99562	1.9
164.98529	0.6
168.04291	2.9
224.06943	7.5
242.08037	1.8
281.24844	100.0
282.25174	7.1
302.58154	0.6
304.98984	0.7
383.99603	0.7
425.12360	0.7
506.32492	60.6
507.32849	4.6
544.34473	0.6
580.28534	4.2
581.28528	0.8
592.06610	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
61.98830	24.4
71.01389	2.9
71.56276	0.4
73.02939	0.7
75.00859	0.5
83.01400	0.4
85.02933	0.9
87.00885	0.6
88.98811	1.9
89.02441	2.4
93.03428	0.5
98.24643	0.4
101.02445	1.7
103.00364	0.5
108.02148	0.4
109.02972	0.6
113.02464	1.0
117.03534	0.4
119.03512	0.5
119.05032	0.4
119.47794	0.4
121.02943	0.9
125.02396	0.5
126.74110	0.3
134.03734	1.0
135.04543	0.4
137.02484	0.6
145.02917	0.4
149.02425	2.2
150.03215	2.7
151.03976	0.6
158.17549	0.4
161.02473	0.7
163.03940	0.7
164.04785	1.5
165.05531	1.5
172.05280	1.2
175.00401	2.1
179.05656	0.6
180.05791	2.8
181.06537	1.5
183.04529	0.8
190.02718	5.2
191.03380	0.8
193.04997	0.8
193.41566	0.4
195.06616	1.4
196.05342	0.4
198.52917	0.4
205.05051	6.7
213.05629	1.1
214.06329	1.1
223.06117	1.5
224.04732	1.6
225.05563	15.5
226.05879	0.9
227.07219	0.6
241.05070	8.7
242.05811	2.4
255.06615	0.4
257.08182	100.0
258.08524	5.8
265.07120	0.4
341.10190	0.9
367.10342	2.9
401.15927	0.9
419.13480	37.3
420.13879	3.3
446.38315	0.4
533.16632	5.6
534.17706	0.6
581.18774	4.7
581.31921	0.4
582.18140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1866
Annotation	Gnetifolin K
Peak:m/z	Relative Intensity
59.01381	5.1
61.98830	24.4
71.01389	2.9
71.56276	0.4
73.02939	0.7
75.00859	0.5
83.01400	0.4
85.02933	0.9
87.00885	0.6
88.98811	1.9
89.02441	2.4
93.03428	0.5
98.24643	0.4
101.02445	1.7
103.00364	0.5
108.02148	0.4
109.02972	0.6
113.02464	1.0
117.03534	0.4
119.03512	0.5
119.05032	0.4
119.47794	0.4
121.02943	0.9
125.02396	0.5
126.74110	0.3
134.03734	1.0
135.04543	0.4
137.02484	0.6
145.02917	0.4
149.02425	2.2
150.03215	2.7
151.03976	0.6
158.17549	0.4
161.02473	0.7
163.03940	0.7
164.04785	1.5
165.05531	1.5
172.05280	1.2
175.00401	2.1
179.05656	0.6
180.05791	2.8
181.06537	1.5
183.04529	0.8
190.02718	5.2
191.03380	0.8
193.04997	0.8
193.41566	0.4
195.06616	1.4
196.05342	0.4
198.52917	0.4
205.05051	6.7
213.05629	1.1
214.06329	1.1
223.06117	1.5
224.04732	1.6
225.05563	15.5
226.05879	0.9
227.07219	0.6
241.05070	8.7
242.05811	2.4
255.06615	0.4
257.08182	100.0
258.08524	5.8
265.07120	0.4
341.10190	0.9
367.10342	2.9
401.15927	0.9
419.13480	37.3
420.13879	3.3
446.38315	0.4
533.16632	5.6
534.17706	0.6
581.18774	4.7
581.31921	0.4
582.18140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05333	0.8
53.63605	0.8
54.69747	0.8
57.03431	0.8
59.01373	4.6
61.98829	54.5
62.67848	0.8
63.55124	0.9
65.03960	0.8
69.03465	1.2
69.35134	6.1
71.01390	2.9
71.38426	0.9
72.99292	0.8
77.99994	0.8
81.03460	8.2
83.01398	3.6
84.81531	0.8
85.02962	1.4
86.17122	0.8
89.02455	1.1
90.87286	0.8
93.03474	1.8
95.01398	2.4
95.05026	12.6
97.02944	4.7
98.20658	1.5
99.04517	5.2
101.02461	1.3
107.05021	0.8
108.02247	1.2
109.02962	1.0
111.04495	1.2
113.02467	1.8
121.02960	2.5
122.03746	1.9
122.82125	0.8
123.04518	7.5
125.02445	25.9
135.04480	2.1
137.02434	6.6
138.03238	1.9
139.04042	2.7
142.00708	0.9
147.08162	2.0
149.02425	3.7
149.06125	2.9
150.02101	0.8
150.03175	4.7
151.00420	1.6
151.04027	1.5
152.01118	1.3
155.03499	1.5
162.03313	1.3
163.03973	1.4
164.04770	4.7
165.01947	2.7
165.05536	2.9
166.02724	3.2
167.03493	43.6
168.03780	1.4
171.08162	3.5
173.06042	6.0
174.90906	1.1
175.00410	4.3
179.03531	2.5
187.03926	0.7
190.02740	8.1
191.03540	4.8
193.01414	1.1
195.06618	2.1
197.04556	8.4
205.01492	0.9
205.05072	10.5
209.04556	1.9
212.08313	1.4
213.09216	8.6
215.07176	2.8
221.04449	1.1
223.06079	2.1
227.03461	1.5
227.10789	7.1
228.03903	1.1
229.08687	1.8
253.08687	1.2
255.02919	2.0
255.10271	2.6
256.03299	1.6
257.03876	2.0
257.08200	23.9
258.08524	1.6
267.10114	1.2
269.08218	9.5
270.08942	0.9
271.09729	2.9
283.09802	2.2
284.03229	1.5
285.03928	7.9
286.04211	6.9
287.04517	5.5
297.07700	1.4
299.09238	100.0
300.02539	1.2
300.09546	6.2
311.09232	3.9
313.10635	1.0
323.09225	2.3
329.10336	28.6
330.10709	1.5
341.10339	3.2
348.65463	1.0
367.10318	6.2
383.11255	1.2
401.12366	1.2
419.13113	1.3
461.14529	68.5
462.14816	5.0
491.15634	31.9
492.15823	3.6
503.15448	1.8
533.16699	9.4
545.16241	0.9
552.48029	0.9
563.17499	3.9
581.14429	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	581.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.10130	0.6
59.01386	5.0
61.98833	16.9
67.62048	0.6
69.03452	1.0
71.01380	2.8
71.56216	0.8
71.56662	0.9
73.02957	0.6
75.92505	0.6
78.64702	0.6
81.03453	7.4
83.01380	2.9
85.02969	1.5
89.02441	1.6
93.55229	0.7
95.01363	0.9
95.05016	8.5
97.02950	2.8
97.11856	0.6
99.04539	2.7
101.02467	1.8
105.03465	0.8
108.02196	0.7
109.02966	0.8
113.02456	0.7
119.05030	1.9
121.02932	1.7
122.03724	0.8
123.04507	6.0
125.02438	11.1
131.04953	1.3
135.04536	1.2
137.02434	2.7
138.03165	1.1
139.04037	1.7
143.03513	0.8
145.02962	0.8
147.08223	1.1
149.02444	1.4
149.06078	1.3
157.06621	0.8
161.06090	0.7
163.00288	0.8
163.04019	2.3
164.04782	2.6
165.01860	1.3
166.02696	5.3
167.03496	33.9
168.03824	1.2
171.08118	2.0
173.06070	5.8
179.03468	0.8
189.09158	0.8
191.03525	1.9
198.03249	3.1
211.07832	0.9
212.08408	0.8
213.05571	5.8
213.09152	2.7
215.07120	1.1
227.10802	6.0
229.08665	1.3
231.10332	0.8
255.10324	3.5
257.08218	4.6
269.08246	4.8
270.08923	1.7
271.09793	1.2
277.08786	1.2
281.08160	5.9
283.09796	0.8
295.09708	2.4
297.07574	1.4
298.08603	0.7
299.09232	71.0
300.09573	5.2
311.09238	1.1
323.09222	18.3
324.09665	1.1
329.10300	2.9
341.10419	3.3
353.10284	1.2
371.11301	0.8
376.21143	0.7
384.48172	0.8
401.12448	1.7
419.13739	1.1
443.13626	1.0
461.14523	100.0
462.14764	8.7
491.15628	3.0
521.16595	1.9
581.18622	6.2
581.32166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
60.99296	0.2
61.98828	8.9
70.28622	0.8
71.01382	1.3
71.22099	0.2
72.99288	0.2
73.02931	0.3
75.00854	0.5
78.95882	0.2
81.03478	0.2
83.01378	0.4
85.02942	0.3
87.00873	0.6
88.98808	0.9
89.02459	0.5
93.03448	0.7
97.21200	0.2
98.19995	0.2
98.42648	0.2
101.02427	0.5
108.02197	0.2
113.02448	0.4
115.00359	0.8
117.03445	0.4
119.05032	1.0
121.02882	0.3
123.04514	0.7
125.02446	0.7
137.02393	0.6
140.84311	0.2
145.02948	0.7
163.03993	1.2
165.05531	0.3
166.02655	0.2
167.03473	1.8
172.05299	0.8
173.06107	0.3
175.02480	2.7
175.03989	0.3
179.03429	0.2
180.05792	3.5
181.06516	1.4
183.04523	0.8
186.06728	0.2
196.05284	0.4
197.06036	0.3
199.04036	0.2
199.06940	0.2
207.74757	0.2
213.05519	1.0
214.06297	0.9
217.03456	0.7
223.04070	0.3
224.04802	1.6
225.05544	15.3
226.05930	0.7
227.03568	0.2
228.81290	0.2
229.08653	0.2
230.31003	0.2
239.07185	0.3
241.05051	9.5
242.05753	2.1
244.32031	0.2
251.21530	0.2
255.06699	0.3
257.08170	100.0
258.05954	0.4
258.08533	5.1
273.07727	0.8
285.03922	0.3
371.11197	0.3
401.12204	0.3
419.13461	40.6
420.13831	2.8
581.18976	2.1
581.27356	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53452	0.8
59.01373	1.6
61.98815	3.2
69.03455	1.6
71.01379	2.6
73.02940	0.9
80.28638	0.7
81.03454	8.7
83.01386	5.3
85.02939	1.7
93.03455	6.1
95.01379	1.5
95.05036	5.4
97.02937	3.8
99.04493	1.3
101.02435	1.1
107.05022	1.6
108.02157	2.0
109.02946	4.3
111.00839	1.0
111.04504	2.8
113.02462	1.7
119.05005	1.5
121.02977	4.4
121.06570	1.1
122.03708	1.1
123.00887	1.0
123.04517	9.9
124.01628	1.0
125.02451	9.4
126.02727	0.7
126.24747	0.7
131.04990	1.7
135.04521	2.1
137.02451	10.1
137.06070	2.8
139.04025	4.8
147.04514	1.4
147.08165	1.9
149.02448	2.0
149.06017	2.1
150.03279	1.1
151.04025	4.7
152.01170	2.4
153.05577	1.3
155.03418	1.2
163.04028	2.3
164.04791	1.4
165.01918	1.3
165.05603	3.5
166.02734	1.3
167.03479	19.3
171.08044	0.9
173.06085	9.8
177.05582	1.2
178.02792	0.7
179.03465	3.3
181.05002	1.8
183.08163	0.9
185.09549	1.0
188.04808	0.9
191.03568	1.4
193.05093	0.8
197.04567	4.1
207.02847	0.7
209.04533	22.4
211.07605	1.3
213.09244	6.5
215.07137	1.1
219.03029	0.8
225.09207	1.1
227.10759	3.5
229.08650	3.9
239.05499	8.1
239.10750	0.9
239.55954	0.7
251.05493	0.8
255.06552	1.2
255.10147	1.6
257.08176	10.9
258.08887	1.2
269.08087	4.0
271.09906	0.9
273.11279	2.8
281.08432	1.1
283.09790	1.8
299.09210	19.6
300.09619	1.5
311.09299	8.6
313.10739	0.8
323.09375	1.7
325.10760	2.6
329.10312	7.7
338.07758	1.1
339.08566	1.0
341.10266	100.0
342.10556	8.0
353.10272	5.3
371.11313	80.6
372.11621	7.5
383.11465	3.7
401.12396	24.9
402.12698	2.4
413.12604	2.0
425.12262	1.5
427.75961	0.9
443.13474	8.8
455.13556	1.1
461.14487	13.4
462.14346	1.2
466.09021	0.8
473.14386	7.3
474.14795	0.9
491.15729	2.7
545.16547	1.0
563.17731	1.6
581.18878	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	581.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21741	0.6
59.01387	3.7
59.01635	0.6
61.98831	17.8
69.03461	0.8
69.42383	1.2
69.42775	4.8
71.01389	3.1
72.53332	0.6
75.00848	0.7
81.03459	8.2
83.01370	1.7
85.02963	1.1
88.98824	0.8
89.02418	1.4
93.03439	1.2
95.05025	8.6
97.02959	3.6
98.20667	1.2
99.04517	3.6
101.02440	2.2
109.02924	0.7
113.02432	1.0
119.05006	2.0
121.02957	1.8
121.41237	0.5
122.03718	0.8
122.21283	0.6
123.04512	7.0
125.02447	9.7
131.05035	0.8
135.04526	1.5
137.02425	2.9
138.03230	0.9
139.03986	2.4
143.03455	0.8
147.08139	0.9
149.02440	1.3
149.06076	1.1
151.03979	0.8
159.88551	0.6
163.00345	0.9
163.04041	2.7
164.04790	2.6
165.01909	2.0
166.02734	4.8
167.03490	32.3
171.08142	2.6
173.06076	7.1
179.03436	0.8
189.01817	0.8
189.09155	1.0
190.02637	0.8
191.03473	2.2
193.05122	0.6
197.04500	1.1
198.03174	1.9
203.03476	0.7
211.07614	1.0
212.08528	1.1
213.05585	3.5
213.09200	2.8
215.07161	1.9
225.09190	0.6
227.10751	6.4
229.08693	0.8
237.09177	0.6
245.92421	0.6
253.08673	1.0
255.06670	0.8
255.10233	3.7
256.07239	0.7
257.08194	5.3
263.07025	1.7
267.10138	0.7
269.08228	6.0
270.08829	1.3
271.09683	1.5
277.08545	0.9
281.08231	7.9
283.09708	0.8
295.09668	3.1
297.07877	0.9
299.09238	73.7
300.09534	5.0
311.09338	1.0
312.22906	0.6
323.09204	20.3
324.09592	1.8
329.10300	3.1
341.10376	3.4
353.10349	2.1
371.11304	0.9
401.12515	2.0
419.13541	1.7
443.13098	0.8
461.14526	100.0
462.14886	8.9
491.15524	3.1
521.16602	1.1
581.18591	5.7
581.31641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2029
Annotation	Buddlenol A
Peak:m/z	Relative Intensity
59.01366	2.3
61.98832	18.5
65.00304	1.4
67.01880	1.5
69.41261	5.4
69.41680	4.2
71.01388	2.4
79.01897	1.3
82.90562	1.3
83.95879	1.1
85.02944	1.5
85.30426	1.4
93.03463	3.4
95.01381	5.6
98.87526	1.4
101.02463	2.4
105.03472	1.2
119.05016	3.7
121.02987	6.1
122.03745	15.1
123.00872	3.8
133.02933	1.6
136.01703	1.6
145.03001	2.9
147.04478	2.6
149.02458	21.6
150.03227	100.0
151.00322	3.3
151.03569	2.4
163.03955	3.4
163.06047	1.2
164.04803	4.6
165.05571	97.5
166.05853	2.3
175.03999	21.6
176.04587	1.9
178.99825	2.6
180.04254	6.9
188.04736	1.7
190.06332	7.6
195.04816	2.3
195.06619	48.3
198.84622	1.3
212.03310	1.0
218.05815	6.4
218.78964	1.1
222.05319	5.7
222.98914	7.3
238.06427	1.6
240.99915	6.8
254.05711	1.6
266.05756	3.5
269.08090	1.4
278.05740	5.0
279.06467	2.0
281.04565	2.4
281.08182	2.5
294.05463	2.3
295.09790	2.3
306.05347	5.2
307.06210	2.9
309.03888	4.5
309.07654	3.0
310.04877	2.7
320.06540	1.6
321.07672	14.4
322.04749	2.1
322.08316	3.3
323.09305	5.5
324.06348	5.5
324.09897	2.1
325.07193	11.0
325.25269	1.3
326.07697	3.1
336.10007	5.9
337.07065	10.6
337.10791	3.5
339.08588	9.1
339.12115	1.3
340.09460	10.5
341.10156	2.3
352.09482	4.5
353.10254	3.1
354.11139	7.8
355.11880	26.3
356.12256	1.8
367.11835	42.8
368.12256	3.8
473.12418	2.0
488.14706	1.7
489.15500	1.7
503.17145	19.0
504.17471	2.1
515.17267	1.6
533.18182	28.4
534.18469	2.6
545.29388	4.2
551.19220	16.1
581.20160	28.9
581.27673	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	581.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22633	0.7
56.02591	0.7
59.01379	3.4
61.98833	16.7
71.01379	2.6
72.99318	0.9
73.02940	0.9
75.00883	0.7
79.14435	0.8
83.01401	0.7
84.45176	0.8
93.03458	4.6
101.02431	1.0
108.02156	1.1
121.02957	5.8
122.03746	15.6
123.04517	1.1
127.13860	0.7
133.02962	1.5
135.04584	0.9
136.01682	2.0
147.04555	1.2
149.02435	21.6
150.03227	94.9
151.03622	3.1
162.03209	1.4
162.13997	0.8
163.04073	0.9
164.04802	3.0
165.05569	100.0
166.05870	3.6
175.04013	11.8
177.05550	2.2
180.04263	7.5
187.03917	0.8
190.06400	4.3
193.04994	1.5
195.06624	55.6
196.06976	1.3
199.04103	0.8
201.78600	0.8
202.40936	0.9
218.05881	7.1
222.05284	6.1
238.06410	2.9
241.05095	1.0
250.06398	1.0
253.04919	1.4
254.05736	1.0
266.05838	3.7
277.05002	1.3
278.05881	6.5
279.06552	1.4
281.08078	1.9
282.05222	1.2
292.07361	1.0
293.04510	1.3
294.05283	1.5
297.07666	1.7
306.05298	4.9
307.06100	4.8
309.04388	1.3
309.07632	1.8
310.04877	2.3
320.06827	1.0
321.07620	15.5
322.04926	1.5
322.08316	4.0
324.06393	1.8
325.07205	12.9
326.07684	1.2
335.09164	1.8
336.09979	8.0
337.07126	11.5
337.10785	3.1
338.07605	1.3
339.08585	6.3
340.09442	7.5
341.10141	1.5
352.09448	4.0
354.11035	5.0
355.07422	1.3
355.11841	31.3
356.12277	2.2
367.11847	41.2
368.12225	2.5
503.17352	1.5
519.31598	1.4
551.19177	6.7
581.20239	18.0
582.20148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54049	0.5
51.60615	0.5
53.80777	0.6
55.01873	0.6
57.41315	0.5
59.01374	7.2
60.99289	0.6
61.98537	1.1
61.98828	14.2
71.01379	8.4
73.02940	2.9
83.01392	1.9
85.02950	4.2
86.00076	0.7
87.00863	2.9
87.04498	1.0
88.62210	0.5
88.98806	4.2
89.02426	2.2
93.03475	3.2
95.01368	1.5
99.00871	0.8
101.02456	5.2
108.02184	0.7
109.02970	0.6
113.02442	4.4
120.02142	0.9
121.02956	39.4
122.03777	7.0
123.00912	1.1
124.43541	0.7
125.02425	2.3
131.03485	2.4
134.21541	0.5
136.01630	0.7
136.05310	1.4
137.02460	4.2
137.06079	5.4
143.03503	4.0
149.02405	2.6
151.02849	1.1
151.03999	11.2
151.07637	1.0
153.01881	1.8
154.02681	1.4
161.02467	0.6
161.04512	2.7
161.05824	0.5
165.05624	0.7
167.03333	0.7
205.07124	3.6
213.09096	0.8
257.08170	7.7
258.08942	20.3
258.11673	1.0
259.09546	2.9
273.11307	100.0
274.11743	5.0
281.08176	0.9
307.10464	0.8
371.11584	0.9
374.78992	0.7
401.12405	1.8
417.15479	3.2
419.13190	1.3
435.16641	4.3
435.83624	0.6
581.22418	41.4
582.22955	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	581.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.2
61.98833	100.0
69.24441	9.9
69.24861	17.9
69.62271	2.8
71.01379	3.1
78.95502	3.3
78.95898	14.9
78.98618	3.8
79.95740	6.3
80.96523	28.3
94.98111	6.2
96.96021	57.4
103.70047	2.7
120.67081	3.2
122.97591	4.6
152.99727	3.4
177.89798	4.0
225.00754	7.4
255.23289	19.4
264.49850	2.7
283.26364	6.5
291.16602	3.0
293.79471	3.0
384.60602	3.3
448.87241	2.6
483.27170	10.2
581.20648	7.4
581.29907	49.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98830	100.0
69.27935	1.3
71.01369	0.1
73.32984	0.1
78.95914	0.9
80.96494	0.4
81.95332	0.2
82.96098	1.1
82.96935	0.1
98.20635	0.3
129.77528	0.1
152.99631	0.2
161.97221	0.1
266.17419	0.1
272.93518	0.2
279.23291	1.8
280.23630	0.7
281.23929	0.3
282.24472	0.3
504.30887	0.9
505.31277	0.3
507.31842	0.7
581.27124	2.8
582.27765	0.2
588.41748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.27312	0.6
69.27744	0.5
73.48454	0.1
78.95911	0.5
98.20661	0.3
152.99567	0.6
170.43011	0.1
279.23300	2.0
280.23730	0.6
281.24005	0.3
504.31058	0.7
507.32016	0.3
581.32275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24547	0.7
52.85088	0.7
59.01384	0.9
61.98831	2.3
63.18846	0.7
66.57100	0.7
71.13010	1.6
118.95744	0.8
198.10559	0.8
201.41789	0.9
279.23285	100.0
280.23691	5.0
287.53134	0.9
385.42252	0.8
560.59363	0.8
581.45575	41.0
582.45624	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	582.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80801	0.7
55.75095	0.8
59.01379	4.3
61.98832	91.0
68.22143	0.8
69.53281	6.2
71.01380	2.4
89.02431	1.0
91.94964	0.8
101.02469	2.2
113.02406	1.1
205.51781	0.7
213.05573	11.4
241.05055	33.4
242.05479	1.5
255.06583	1.7
256.07413	80.3
257.07904	4.4
271.09756	100.0
272.10107	5.5
307.97925	0.9
435.29565	4.0
436.30106	1.3
475.16068	19.8
476.16028	1.6
477.54868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71312	0.4
57.75928	0.4
59.01379	1.0
61.98831	100.0
65.89006	0.4
67.14574	0.4
69.51775	0.9
69.52179	2.3
71.01377	0.5
75.00882	0.5
98.20605	1.0
101.02467	0.5
101.28597	0.4
105.01956	0.9
116.68980	0.5
116.74609	0.5
122.82008	0.5
147.64191	0.4
163.04033	0.4
196.64075	0.4
222.45303	0.5
225.05432	0.6
226.06007	0.6
251.55763	0.5
257.08139	3.3
258.08560	3.0
420.13922	2.1
582.19171	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98829	100.0
62.32839	0.3
63.99260	0.3
71.01406	0.5
75.00861	0.3
76.90481	0.3
83.01383	0.3
85.02950	0.4
93.03467	0.3
101.02489	0.4
105.01941	0.8
109.92100	0.3
116.52601	0.2
122.03750	0.4
125.02448	0.6
146.34941	0.3
149.02414	0.7
150.03221	1.5
156.47516	0.3
164.04630	0.4
165.05537	2.3
195.06664	1.1
257.08252	0.3
258.08536	0.4
285.07651	0.4
300.10019	0.4
303.03271	2.2
318.05524	1.2
321.08749	0.3
331.11801	0.3
333.07806	1.7
357.13263	0.4
369.13245	0.4
408.28259	0.3
495.13263	2.5
496.13699	0.3
535.19891	0.8
550.14746	0.6
582.18201	0.6
582.29205	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55041	0.4
59.01374	1.9
61.98831	100.0
72.77118	0.4
90.18538	0.4
98.20580	1.0
99.00961	0.3
116.92847	2.5
117.92916	1.1
127.62424	0.4
127.85014	0.4
132.91937	0.4
182.83910	0.4
198.27287	0.4
277.14310	0.4
279.88696	0.4
307.45508	0.4
307.49136	0.4
328.12646	0.5
346.27875	0.4
347.40201	0.4
390.16348	0.4
471.72388	0.4
582.16937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95850	0.2
59.01382	0.7
60.73741	0.2
61.01352	0.2
61.98829	100.0
63.38959	0.2
71.01407	0.2
71.56705	0.2
85.02955	0.3
87.04533	0.2
101.02459	0.2
115.92122	0.2
117.51762	0.2
119.05032	0.3
121.02970	0.4
122.03776	0.4
149.02467	0.7
150.03209	3.0
151.03613	0.6
163.04027	0.5
165.05569	3.5
165.73257	0.2
166.05902	0.4
195.06638	2.4
196.06978	0.3
270.27823	0.2
297.07697	0.2
298.08020	0.3
317.13171	0.2
326.07877	0.2
355.08319	0.4
356.08643	0.6
385.13135	0.8
386.13190	1.3
387.14410	0.3
426.09558	0.3
444.15860	0.4
531.33459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77391	0.7
59.27454	0.7
61.98831	100.0
65.18721	0.6
68.13257	0.8
69.39666	6.2
71.00284	0.7
71.01393	1.6
78.95924	1.4
78.98585	1.1
79.95747	2.3
80.96524	14.0
85.02937	0.8
86.71618	0.8
94.98106	2.8
106.98138	0.9
125.02407	0.8
134.97581	1.5
148.99101	1.2
152.98683	0.8
164.98648	2.4
206.99564	0.8
225.00749	5.0
269.24771	1.0
299.04645	1.0
352.13525	0.9
414.69583	0.9
583.31567	24.8
583.40778	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11905	0.3
59.01379	18.5
60.09779	0.3
66.64155	0.4
70.05013	0.4
70.78590	0.6
78.95904	19.6
80.96543	1.0
122.98579	0.5
152.99562	2.3
163.31950	0.4
168.04312	2.6
224.06937	9.2
224.09152	0.5
242.08014	2.2
283.26413	100.0
284.26773	6.5
311.39349	0.4
352.29892	0.5
508.34052	62.9
509.34427	6.6
559.26782	0.4
582.30347	1.4
583.19751	0.5
583.29803	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.4
61.98823	1.4
71.01385	2.8
71.02986	1.3
71.03300	1.5
72.99279	1.3
73.48685	1.2
75.00897	1.2
81.03452	1.2
82.89637	1.1
83.01390	2.6
87.00870	2.1
88.95601	1.2
93.03452	11.5
105.01924	11.7
109.02950	4.5
111.91418	1.3
117.01942	3.0
119.05016	10.6
121.02951	3.2
123.04544	1.8
125.02428	11.5
125.39780	1.4
133.02957	7.5
135.00864	1.4
135.04494	1.9
137.02457	15.1
147.04524	1.4
148.01611	2.1
149.02481	6.8
151.04001	10.1
161.02451	2.5
163.00381	19.8
163.03993	3.5
164.01134	16.5
165.01939	7.9
167.03503	1.4
169.06653	1.9
171.04556	1.7
173.06111	2.9
175.04059	1.3
176.01184	1.6
177.01927	100.0
178.02194	2.7
179.03503	2.7
185.06053	2.4
189.01913	13.9
190.02736	11.6
191.03351	2.3
192.00583	1.7
193.01433	1.4
199.07582	1.6
203.07193	2.9
206.02170	3.1
207.03041	1.5
211.07727	2.5
215.07111	5.7
227.07172	4.0
231.02861	1.4
251.07085	1.7
253.05055	2.5
255.06650	6.7
257.08148	2.1
267.06711	1.9
269.08234	3.1
281.04590	1.9
282.05371	5.3
283.06131	59.4
284.06516	2.8
285.07751	11.0
295.06158	5.1
297.07706	3.6
301.07166	9.9
313.07162	58.6
314.07571	3.2
315.08716	15.0
325.07010	2.0
343.08197	17.4
355.08017	1.9
367.08224	1.8
403.10443	11.9
498.90573	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.8
61.98825	2.1
62.96406	1.4
70.67782	2.4
70.68139	1.7
78.95902	100.0
83.61185	1.0
96.96001	1.4
96.96951	4.6
99.92583	10.4
100.93369	2.0
115.92077	34.3
115.92892	1.6
116.92105	2.1
116.92852	27.7
120.96928	1.2
150.98007	3.8
152.34833	1.3
152.99582	38.1
155.95085	1.1
163.89709	1.8
164.90465	1.9
171.00639	5.4
172.54152	1.0
172.95470	7.9
177.91273	1.0
178.88432	12.1
179.89224	32.2
180.90016	21.2
186.65421	1.2
194.87903	3.2
196.89484	41.4
205.90729	3.6
206.91611	2.8
208.89354	2.5
219.92348	1.7
234.90973	2.4
235.91885	8.8
236.92592	23.6
237.92982	1.6
252.92101	4.2
255.23288	25.7
270.93076	2.6
278.93671	1.5
283.26367	7.8
284.26743	4.5
287.22272	1.5
313.23932	1.7
394.12177	1.3
409.23581	1.9
435.12613	1.3
475.15585	11.4
483.27124	6.9
492.15976	9.4
505.55609	1.2
508.34076	2.2
509.34384	1.3
517.16266	1.8
535.17554	5.8
547.17627	6.1
565.18988	1.6
583.19812	96.9
583.45258	2.1
584.20270	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	583.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42733	0.6
53.13779	0.6
59.01383	2.0
61.36017	0.7
61.98826	13.5
71.01398	1.9
74.94461	0.6
75.84762	0.6
77.11847	0.6
93.03447	3.7
117.07112	1.1
121.02956	4.6
122.03735	12.7
133.02971	1.6
135.04524	0.9
136.01648	6.3
137.02438	0.8
141.57350	0.6
149.02432	17.3
149.03615	0.8
150.03218	90.9
151.00356	1.7
151.04007	6.3
151.14795	0.6
161.06085	2.7
164.04779	2.7
165.05556	100.0
166.02686	4.5
166.05905	2.4
175.04016	1.4
180.04245	5.9
181.05046	6.2
187.04034	0.8
190.06107	0.9
195.06613	63.3
196.06949	1.9
205.05003	1.1
221.08052	0.9
262.65329	0.7
272.69223	0.6
339.38742	0.6
342.11066	1.2
357.09857	1.1
357.13486	9.1
358.13913	0.8
359.91901	0.6
373.12299	0.7
387.14450	11.9
387.61771	0.8
388.14551	1.4
505.18381	1.0
535.19263	2.3
583.20947	1.0
583.29626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.7
61.98836	5.9
68.23291	1.0
69.26350	3.8
69.26781	4.3
71.01377	1.9
85.02927	1.4
93.03464	6.6
95.05045	1.1
98.20767	0.9
113.02471	1.1
121.02967	12.9
122.03753	18.9
124.01585	0.9
133.02980	2.6
134.03696	1.7
135.04530	6.0
136.01648	11.0
137.02440	2.7
138.30112	1.0
147.04526	1.5
149.02446	29.1
149.06050	1.7
150.03230	98.0
151.00366	2.0
151.04024	13.7
152.01187	2.2
161.04535	1.0
161.06044	2.5
162.03198	1.0
163.03998	2.7
164.04807	5.2
165.05573	100.0
166.02731	8.9
166.05916	4.6
167.03461	1.9
172.05307	1.6
175.04028	4.9
180.04317	5.5
181.05055	11.4
187.03920	1.0
188.09908	0.8
189.05521	3.8
190.06380	6.4
194.37914	1.0
195.06627	57.0
196.06937	2.4
205.05106	1.1
205.08676	1.8
215.82538	0.9
221.08165	1.8
223.06116	1.3
229.34825	1.1
315.08621	1.5
329.10263	3.9
341.10220	1.2
342.11252	1.1
356.12766	3.0
357.09784	1.9
357.13528	12.4
365.68460	1.2
369.13260	1.2
372.12036	1.8
373.12894	2.1
387.14502	33.9
388.15054	1.5
437.67816	1.0
505.18591	5.7
517.18573	2.2
535.19733	48.5
536.20044	5.7
553.29230	1.6
583.20874	2.9
605.45239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98829	11.3
69.37855	2.1
69.38279	1.5
70.66154	0.5
71.01389	0.9
89.02474	0.6
93.03462	4.4
101.02455	0.6
114.29193	0.5
121.02963	3.7
122.03737	14.7
123.04475	0.7
133.02974	1.6
136.01654	1.2
149.02437	18.7
150.03224	92.5
151.03610	1.9
160.01631	0.6
161.04738	0.5
164.04805	3.6
165.05565	100.0
166.05885	3.0
179.07158	0.8
180.04260	6.1
190.06337	0.6
195.06618	61.6
196.06973	2.3
222.05247	0.6
233.48573	0.5
239.07007	0.6
240.07739	0.8
267.06543	0.6
268.07434	2.4
279.06525	1.0
280.07382	0.6
283.09692	1.5
284.06815	0.7
285.07556	0.5
291.06677	0.7
296.06863	1.5
299.09421	0.6
308.06952	1.2
309.07635	1.3
312.06335	1.6
322.08337	1.1
323.09290	3.2
324.06503	1.0
324.09958	2.1
327.08743	6.6
337.10898	0.6
338.11551	1.1
339.08722	9.4
339.12375	1.6
342.10974	4.3
343.11444	0.8
354.11072	2.7
357.13419	21.9
358.13721	1.4
369.13397	22.0
370.13693	1.9
505.18732	0.9
535.19617	1.4
583.21893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17457	0.5
55.22367	0.5
56.30022	0.6
59.01386	2.7
61.98836	5.1
69.24120	2.3
69.24548	2.9
71.01373	0.7
85.02925	0.8
93.03457	4.1
95.05019	0.8
105.03473	0.6
108.02167	0.9
115.92210	0.6
121.02965	6.1
122.03738	15.7
122.61615	0.5
123.04511	0.7
130.43024	0.6
132.02170	0.9
133.02965	1.7
135.04532	0.7
136.01675	1.7
141.67297	0.5
149.02446	31.4
150.03230	100.0
151.03499	2.9
153.05530	0.5
163.03937	0.7
164.04788	5.7
165.05571	100.0
166.05930	3.2
175.04016	1.3
177.05562	1.7
179.07069	1.1
180.04279	6.0
188.84225	0.5
189.20027	0.6
195.06624	63.1
196.06917	2.7
203.07216	0.9
224.06888	0.9
240.07878	1.2
251.07062	0.8
267.06430	0.9
268.07361	2.2
279.10132	0.7
280.07483	1.1
283.09790	2.0
284.06906	0.7
294.05542	0.7
295.06143	0.7
295.09735	0.5
296.06885	2.2
297.11185	1.6
299.09299	0.6
307.06277	0.8
307.09860	1.6
308.06857	1.4
308.10477	1.7
309.07666	1.8
311.09238	1.3
312.06387	2.4
323.09396	2.7
324.06357	1.2
324.09933	2.3
325.10861	2.8
326.11472	4.4
327.08737	6.0
327.12213	0.8
328.09421	0.7
332.45224	0.6
338.11508	1.2
339.08652	9.5
339.12357	1.9
340.08975	0.8
341.13849	1.9
342.10962	5.7
343.11661	0.6
354.11209	3.6
355.11700	0.8
357.13437	23.0
357.17950	1.1
358.13748	2.3
369.13412	24.8
370.13626	2.0
378.45529	0.6
406.34253	0.6
416.11752	0.6
457.12723	1.0
461.16318	1.2
472.14655	0.7
485.15662	0.8
487.17508	1.8
489.15671	0.7
490.16348	0.6
505.18689	8.3
506.18463	1.3
517.18280	1.4
535.19733	41.2
536.20166	4.5
553.20575	1.3
583.21576	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	0.5
61.98832	100.0
78.95909	0.4
88.00429	0.7
88.98822	2.0
98.19859	0.6
115.60817	0.3
152.99557	0.3
236.98579	0.2
272.72882	0.3
281.24835	2.1
282.25293	1.0
435.38806	0.3
506.32553	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92735	0.2
56.98067	0.2
59.01378	0.3
61.98830	100.0
71.10825	0.2
71.11153	0.3
71.31089	0.1
78.95924	0.5
78.96680	0.2
82.36163	0.1
99.94004	0.2
101.64344	0.1
108.34918	0.1
117.34875	0.2
119.82217	0.2
119.99558	0.2
126.38345	0.1
148.09154	0.2
148.58699	0.2
152.99605	0.4
164.58090	0.2
224.07042	0.1
281.24857	1.9
282.25262	0.5
283.25632	0.4
284.25919	0.2
374.37494	0.2
439.25464	0.2
506.32629	0.9
508.33591	0.2
509.33591	0.5
518.38928	0.2
583.33685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90895	2.2
61.98831	100.0
83.82231	2.4
87.67805	2.2
88.77651	2.6
159.72298	2.8
166.30518	2.1
196.47433	2.4
238.79529	2.3
259.44568	2.7
334.78354	2.9
490.10132	2.7
491.07813	3.1
506.10147	3.6
521.12408	20.7
522.12628	2.8
604.72028	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	584.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20472	0.6
61.98830	100.0
68.97508	0.6
70.40582	1.1
70.40945	1.4
84.89512	0.5
117.74257	0.5
161.42407	0.6
179.15518	0.6
260.56061	0.6
281.46030	0.6
403.06174	1.3
404.07153	1.1
420.05627	0.6
431.13708	0.6
432.06573	2.3
446.07767	0.8
447.08859	1.6
461.10385	1.4
463.08356	1.0
490.10651	2.1
506.09927	4.6
521.12457	27.5
522.12976	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	584.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	15.6
62.23358	0.5
71.56304	0.5
78.95895	3.6
82.92517	0.5
88.00384	2.6
88.98806	100.0
89.02444	15.8
125.00103	1.2
130.76253	0.5
152.99619	1.2
174.67340	0.6
236.62633	0.4
255.23285	3.0
480.30917	1.2
526.02045	0.6
601.85211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70814	0.2
54.87772	0.2
55.01917	0.1
59.01378	1.8
61.98830	100.0
69.38562	1.2
71.01395	0.8
73.02951	0.4
85.02969	0.4
89.02460	0.5
96.56269	0.2
97.02958	0.2
98.20702	0.3
99.00894	0.2
101.02459	0.6
103.26805	0.1
113.02502	0.6
115.05550	0.9
117.07133	0.4
119.03532	0.2
125.02431	0.2
133.06628	0.5
133.52672	0.2
143.03502	0.2
149.02400	0.3
150.03214	0.7
161.04649	0.2
161.06055	0.8
163.04073	0.3
163.06165	0.3
165.05589	1.0
167.03267	0.2
173.49828	0.2
187.03964	1.4
188.04424	0.3
195.06593	0.4
205.05139	0.2
205.07184	0.2
227.05795	0.2
252.99062	0.2
276.58557	0.2
278.95544	0.2
298.20795	0.2
299.21082	0.1
310.59656	0.2
312.24564	0.2
346.84866	0.2
359.28305	0.2
362.17697	0.2
376.07898	0.2
521.33063	0.9
536.20520	0.6
553.79913	0.2
561.29590	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93695	0.9
55.01870	1.6
57.03454	1.7
58.21645	0.8
59.01379	29.9
60.61320	0.7
61.98838	2.1
62.40067	0.8
69.24594	7.0
69.25010	2.3
71.01385	15.6
71.19471	0.9
72.99279	1.3
73.02962	1.4
81.27229	0.8
83.01389	9.7
85.02943	9.0
87.00884	5.9
87.05635	1.3
88.26181	0.8
89.02438	13.8
89.02947	1.7
91.05531	9.1
95.01379	1.7
98.20638	2.3
99.00899	5.1
101.02422	4.2
102.05617	3.1
108.81699	0.9
112.98805	2.1
113.02453	5.5
115.00383	10.6
115.05613	7.5
117.07126	6.9
119.03506	5.6
122.62641	0.8
128.03532	10.4
129.01947	2.0
130.08719	2.3
133.06587	3.4
135.04486	1.0
139.00380	1.2
140.07156	0.9
142.99852	1.1
143.03502	1.2
144.07799	1.2
146.04587	2.9
157.01433	10.0
161.06088	12.1
163.04012	10.8
168.07791	2.8
175.02489	23.8
176.02803	1.1
179.05646	5.0
186.08817	1.2
187.04012	15.5
193.51506	0.9
201.05461	1.2
217.03520	100.0
218.03842	3.5
219.06595	2.4
223.06079	3.9
261.93500	0.9
319.06659	1.6
327.98178	1.1
345.06152	4.9
363.07370	3.2
379.08813	1.9
385.11520	1.7
405.08109	3.5
409.82019	1.1
413.24036	4.1
457.26630	2.1
470.41873	1.0
542.28363	9.5
566.50641	1.0
585.14746	1.5
586.30994	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	585.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.8
61.98829	100.0
69.51707	10.1
69.52119	3.5
71.01382	12.3
73.02931	3.1
85.02939	4.3
87.00878	2.7
89.02425	5.9
96.95906	2.1
98.20712	3.3
101.02420	7.7
107.50110	1.9
108.02193	2.4
109.05956	2.1
113.02461	3.4
119.03462	2.9
134.03749	4.1
137.02469	3.6
143.03505	2.3
146.03714	2.7
148.01656	6.3
150.03264	4.3
151.03944	4.3
153.05537	4.4
161.06047	2.4
163.04062	11.1
164.04784	5.1
165.05528	3.1
175.02515	3.9
178.02707	7.4
179.07111	3.2
181.05038	10.2
192.04330	2.6
193.05029	18.4
195.06570	2.8
207.06604	8.1
211.06087	12.8
219.06586	2.9
237.07700	4.1
263.59042	2.4
285.03915	4.3
296.07211	5.2
339.08728	2.7
343.11945	5.0
357.13419	9.5
369.13281	5.2
373.12799	6.1
561.05219	2.8
585.20880	4.5
600.41425	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	585.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	12.1
61.98832	64.5
69.33659	1.1
69.33981	8.9
70.96339	0.9
71.01379	4.7
72.99286	1.6
73.02943	2.7
74.44942	0.9
75.00886	1.0
85.02943	1.9
87.00875	1.2
89.02441	3.2
93.03456	5.7
96.95969	1.1
101.02430	4.4
109.02963	3.2
112.98601	1.2
113.02439	2.3
121.02946	12.2
122.03736	14.1
123.04510	1.6
133.02951	3.4
135.04492	4.4
136.01643	2.4
147.04474	3.2
149.02448	35.6
149.06032	3.0
150.03229	100.0
151.03596	3.8
161.02477	1.7
161.04526	2.2
163.04005	4.9
164.04814	6.7
165.05569	82.0
166.05884	2.7
167.03473	1.8
175.03987	7.8
176.04678	1.7
177.05536	3.1
179.03493	1.3
179.07066	2.0
180.04297	10.0
181.04951	1.1
188.04686	1.8
189.05524	2.3
190.06323	8.0
191.07170	6.9
193.05055	4.4
194.05807	5.3
195.06622	47.5
196.06935	1.8
205.08745	7.6
207.06595	3.5
208.07382	5.9
209.04623	1.2
223.09459	1.3
285.04102	1.7
330.57446	1.0
344.12549	1.5
344.82983	1.1
345.13220	3.1
357.13443	2.8
358.14056	1.6
359.14993	44.6
360.15149	2.3
375.14532	1.3
388.15384	0.9
397.55585	1.0
437.82300	1.1
507.20224	3.8
537.21289	63.4
538.21600	6.6
543.28052	1.6
585.23376	2.9
585.33484	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98730	0.2
59.01368	0.3
61.98832	100.0
70.20008	0.8
78.95925	0.7
98.19907	0.2
119.11267	0.2
131.28415	0.2
139.64160	0.2
152.99628	0.5
169.93228	0.2
192.65755	0.2
193.41260	0.2
229.93146	0.2
253.09528	0.2
283.26382	1.5
284.26868	0.4
349.27402	1.2
379.54037	0.2
394.43622	0.2
508.27277	0.2
508.33740	1.1
509.34412	0.2
511.35184	0.5
526.16559	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20943	0.2
61.98830	100.0
69.49152	2.1
74.62724	0.3
79.29174	0.2
81.19952	0.2
83.73727	0.2
98.19836	0.2
119.05067	0.4
145.02969	1.2
150.03223	0.3
165.05632	0.5
195.06653	0.3
218.69666	0.3
292.01993	0.3
325.32455	0.3
441.88419	0.3
449.23370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75897	0.3
56.99181	0.3
58.06890	0.3
59.01384	2.9
61.98830	100.0
69.26227	0.3
70.57179	0.9
71.01400	2.2
83.01406	0.5
85.02970	0.7
87.00883	0.7
89.02457	1.4
91.05556	0.5
95.01430	0.6
99.00929	0.4
101.02462	1.2
113.02456	1.0
115.00408	0.9
115.05531	0.3
117.07118	0.6
134.45467	0.3
157.01408	0.3
161.04674	0.6
161.06145	1.0
163.04045	0.9
164.04414	0.6
165.05620	0.5
175.02574	1.4
179.05565	0.5
187.04010	0.6
188.04378	0.4
195.06763	0.4
205.05164	0.7
217.03525	2.1
218.03873	1.0
223.06122	0.7
224.06361	0.7
315.10928	0.4
373.36194	0.3
379.08847	2.8
380.09109	4.0
381.09320	0.4
389.12415	0.4
409.53064	0.3
425.14972	0.4
504.42227	0.4
586.21820	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
57.03468	0.8
59.01381	39.2
61.98831	100.0
66.89381	0.7
69.42096	0.5
71.01379	15.3
72.99322	0.8
73.02943	5.9
83.01398	2.3
85.02952	8.1
85.03392	0.8
87.00892	1.3
89.02454	3.3
93.16289	0.6
95.01375	1.3
98.20641	2.4
99.00911	2.7
101.02444	15.5
103.04041	1.0
113.02450	7.8
119.03517	1.0
125.02456	1.0
143.03526	1.6
151.04091	0.6
159.03035	1.6
161.04544	5.6
163.06009	0.8
187.04002	0.7
205.07179	1.0
269.48468	0.7
273.17047	0.9
286.40408	0.6
291.15216	0.4
291.18158	12.3
333.19370	1.9
375.40506	0.7
419.22855	0.9
437.23904	36.0
438.23914	3.3
479.24960	34.5
480.25452	2.8
595.14429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99644	1.9
52.24632	1.9
52.62150	2.6
53.19588	1.9
61.98832	100.0
70.35239	3.1
70.35598	6.1
72.99310	47.8
73.02958	3.2
86.70602	1.9
98.19926	2.0
99.00887	1.9
100.90440	2.1
113.99565	3.7
156.00615	9.7
174.01709	18.8
253.04497	1.9
277.21698	16.3
309.97641	1.7
347.99054	1.8
423.27426	5.0
456.19797	2.3
463.26935	7.5
468.53232	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	586.287
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.54666	2.7
77.57854	1.7
89.02460	1.6
112.24645	1.8
112.53220	1.8
113.99622	2.5
156.00658	3.5
174.01700	23.1
182.31131	1.9
186.31494	2.1
243.20876	1.8
279.23181	6.9
366.00745	2.0
372.54944	2.0
423.27597	2.5
463.26895	3.3
504.30774	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	586.3093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	2.2
59.01382	8.0
61.98816	3.9
67.44999	1.1
69.30859	8.4
71.01372	4.5
73.04071	5.1
82.02969	1.5
83.01360	1.9
84.04525	3.5
85.02928	3.0
87.00896	2.3
87.05638	12.1
89.02431	3.5
91.05492	1.2
96.08179	1.3
97.04073	2.7
98.02460	1.6
99.00916	1.5
101.02428	1.2
102.05609	34.9
110.02487	1.8
112.07642	1.2
113.02448	2.3
115.00362	3.5
115.05122	17.4
126.06731	11.0
128.03546	100.0
129.03891	2.0
129.10318	4.0
130.08740	22.0
139.08759	1.1
140.07202	6.3
142.62880	1.0
144.07782	11.1
146.03424	1.9
146.04597	32.8
153.10335	2.6
155.11899	4.6
157.01456	1.8
163.04057	1.4
164.04332	1.5
165.10350	1.3
168.07782	25.4
168.09181	2.1
169.06247	1.4
171.14986	5.5
175.02481	5.8
179.05582	1.3
182.12944	3.1
183.11368	1.5
186.05789	1.1
186.08847	15.0
187.03970	1.5
188.04326	1.5
197.12878	1.6
199.13704	1.4
199.18164	2.8
207.15025	1.3
208.13412	3.0
215.13992	6.0
217.03505	12.4
217.28331	1.5
218.03860	6.4
225.16066	3.2
226.48236	1.3
230.11467	1.2
241.11954	1.8
243.17102	1.4
252.20840	2.9
259.12933	1.3
267.12155	2.0
268.20084	1.8
270.21939	5.3
277.88437	1.2
284.23492	1.2
295.21133	1.1
309.22391	1.4
314.20685	2.2
327.23926	1.8
355.27103	1.7
374.11099	1.1
399.21344	1.1
399.26065	5.6
413.18634	2.3
413.24051	36.5
414.24503	1.5
439.25223	1.6
457.26688	13.0
492.12476	1.2
498.29572	1.5
499.29300	1.2
542.28320	69.7
543.28625	8.5
543.93738	1.2
568.29724	2.8
586.30927	94.7
587.31171	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	587.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61538	4.1
59.01382	68.7
61.98828	45.3
71.01387	29.0
73.02933	10.4
81.27303	2.8
83.01382	10.8
85.02937	15.6
87.00857	7.2
89.02448	11.0
95.05035	3.6
96.96017	6.1
99.00893	4.6
101.02421	21.8
113.02461	16.8
117.05564	4.9
118.81712	3.7
119.03456	5.0
125.02399	8.8
125.50913	3.5
128.90118	3.7
131.03484	5.3
135.04515	7.3
137.06075	4.0
137.93620	3.6
143.03482	6.3
161.04559	7.9
163.04016	60.1
165.05531	6.5
167.03481	9.5
172.05263	3.1
175.02505	3.5
178.06352	62.4
179.03522	20.6
193.05016	4.0
193.08681	100.0
194.09059	6.9
205.07082	6.9
237.29448	4.0
243.10236	9.6
315.08710	16.1
317.82773	3.5
339.11972	3.4
363.61008	3.4
456.39792	3.6
501.19821	31.2
543.20007	3.6
545.29443	11.7
551.21136	9.1
587.23065	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	587.307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.0
57.03442	2.5
58.00599	0.9
59.01381	100.0
60.01704	0.8
60.63601	0.4
61.98830	3.1
64.26444	0.4
69.03461	1.8
71.01385	38.9
71.56461	0.4
72.99311	1.8
73.02947	11.1
81.03484	0.6
83.01389	5.1
85.02956	18.3
86.00087	0.6
87.00876	5.3
87.04514	0.8
88.14766	0.4
89.02448	16.4
89.03011	0.8
95.01394	3.3
97.02974	2.0
99.00881	5.2
99.04575	0.9
101.02444	25.1
103.04011	3.5
109.02951	1.2
111.00877	0.6
111.04589	0.4
112.01681	0.9
113.02454	16.9
114.02715	0.4
115.04024	1.4
119.03507	7.7
125.02453	3.1
127.03995	2.3
129.01949	0.6
131.03514	2.2
143.03491	7.2
145.05084	1.4
149.04578	0.7
159.03012	2.0
161.04565	10.6
163.06133	7.3
175.67039	0.4
179.05595	5.0
205.07162	3.7
205.58943	0.4
240.05260	0.4
247.08238	2.3
275.16516	0.8
333.20743	2.7
341.19669	2.1
365.93643	0.4
381.22723	1.0
399.23868	9.8
400.24188	0.6
424.10980	0.4
441.24942	0.6
452.06589	0.4
469.24100	0.7
487.25546	4.4
527.28760	5.1
545.29669	59.9
546.29950	6.0
587.30658	3.7
588.30872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.9
55.45441	0.3
57.03455	2.5
58.00587	1.5
59.01381	100.0
60.01725	0.8
60.98080	0.3
61.98830	4.7
67.01877	0.3
69.03451	2.0
71.01384	34.3
72.01722	0.5
72.99315	2.3
73.02949	17.7
75.00872	0.8
81.03472	0.8
83.01391	5.8
83.01874	0.4
85.02953	18.2
86.00121	1.4
87.00079	0.3
87.00880	9.2
87.04516	2.9
89.02444	13.3
95.01387	2.7
97.02962	1.6
98.20670	0.8
99.00887	4.4
99.04541	0.6
101.02446	32.2
102.02764	0.3
103.04008	8.4
109.02961	1.2
111.00887	1.2
112.01669	1.5
113.02451	14.1
115.04012	3.8
119.03497	7.7
124.01669	0.4
125.02446	3.3
127.04027	2.2
129.01944	0.5
131.03510	6.9
137.02419	0.5
143.03499	12.6
145.05048	3.6
155.03500	0.5
159.02994	1.7
161.04559	6.5
163.06122	25.9
164.06503	0.5
167.14357	0.4
179.05612	0.6
203.05591	0.5
205.07173	19.8
206.07425	0.8
230.32285	0.4
247.05627	0.4
247.08214	8.3
265.09317	1.1
289.09409	0.6
307.10468	0.7
325.11096	0.5
333.20758	3.7
334.21161	0.4
345.20718	0.7
354.83762	0.3
381.22772	2.6
399.23871	22.3
400.24454	1.7
441.24963	0.9
527.28619	4.7
528.29126	0.7
545.29639	52.2
546.30060	5.1
581.70636	0.3
587.18939	0.3
587.30573	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31503	0.6
53.40503	0.6
55.01878	2.6
57.03445	2.3
58.00624	1.3
59.01379	100.0
60.01698	0.8
60.15750	0.6
61.98832	9.1
69.03456	1.6
70.46625	0.7
71.01382	36.2
72.99315	2.1
73.02943	12.7
75.00874	1.1
81.03465	1.1
83.01384	6.5
84.02216	0.7
85.02956	18.7
87.00866	4.7
87.04539	1.1
89.02441	10.0
89.34651	0.6
95.01383	3.1
97.02983	1.9
99.00872	5.1
101.02444	22.7
101.03084	1.4
103.04039	2.8
109.03005	1.2
111.00902	1.0
112.01678	1.0
113.02447	16.5
115.00433	0.8
115.04019	1.9
119.03526	4.6
124.01690	0.9
125.02457	4.0
127.04025	2.6
129.01938	0.7
130.73712	0.6
131.03487	1.7
137.02469	0.8
143.03485	7.4
145.05075	1.3
155.03587	1.0
159.03024	2.7
161.04543	12.5
163.06114	4.6
170.85501	0.7
173.00873	0.8
179.05670	1.4
205.07220	2.7
215.44585	0.6
219.17477	0.7
237.18631	0.6
247.08231	1.3
301.42529	0.6
321.32831	0.7
333.20773	4.4
381.22946	2.6
399.23868	19.5
400.24118	0.9
441.25314	2.0
462.28723	0.7
466.88348	0.6
494.43103	0.7
499.26254	0.6
527.28516	4.4
545.29669	60.5
546.29871	4.9
587.30371	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	587.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.8
57.03453	1.3
58.00584	3.1
59.01379	100.0
60.01709	0.8
61.98524	1.1
61.98830	14.0
65.50777	0.5
69.03459	2.9
69.35042	1.5
69.35456	3.5
71.01382	39.1
72.99307	6.1
73.02946	29.3
75.00886	1.4
81.03448	0.7
83.01387	7.3
85.02952	17.1
85.03462	1.0
86.00098	3.4
87.00875	18.0
87.04522	6.8
89.02444	22.3
94.48473	0.6
95.01396	2.1
95.58927	0.5
97.02972	1.6
99.00874	3.5
99.04519	1.4
101.02442	44.6
102.34960	0.6
103.04013	12.3
107.83380	0.5
109.02970	1.3
111.00887	0.6
112.98829	1.2
113.02442	13.6
115.04000	7.4
119.03509	9.9
125.02435	2.9
127.04044	2.1
131.03497	14.8
131.04460	1.1
141.11786	0.5
143.02400	1.4
143.03503	22.1
143.04622	1.3
145.05037	5.9
149.04591	0.9
155.03525	0.8
161.04596	4.4
163.06123	44.4
164.06433	0.5
179.05678	2.1
186.80809	0.6
203.05673	1.2
205.07164	35.2
206.07683	0.7
221.06702	0.6
247.08215	9.4
265.09256	1.2
289.09518	0.6
399.23831	0.9
437.24088	1.0
438.24280	5.3
447.40137	0.7
545.29608	10.6
546.30072	1.0
572.26825	0.6
587.31281	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92733	1.4
59.01379	30.9
61.98831	24.8
62.45255	1.3
71.01374	13.3
72.99323	1.5
73.02946	3.9
83.01374	2.0
85.02970	4.8
87.00868	2.5
87.02765	1.2
89.02454	6.8
96.98601	1.2
97.10282	1.3
99.00854	1.7
101.02444	12.2
113.02467	6.7
115.04041	1.8
119.03519	3.5
143.03534	2.4
161.04584	3.3
161.06023	1.6
163.06078	4.6
165.12825	13.1
205.07190	4.1
230.15869	1.6
247.20621	6.4
253.09230	13.7
273.18585	2.2
291.19650	100.0
292.20023	5.7
381.22864	2.4
429.57953	1.5
451.34338	1.5
469.57565	1.6
527.28632	12.6
528.28778	1.9
547.39294	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	78.2
61.98828	32.9
69.82555	14.5
69.82970	15.8
70.59521	6.1
71.01376	64.9
72.99310	8.9
73.02949	25.2
75.37898	5.4
78.60143	5.2
79.93146	5.9
83.01360	6.5
85.02955	41.7
87.00873	9.3
89.02435	47.1
95.01408	10.1
99.00821	8.3
101.02445	43.2
103.04055	8.7
109.03103	6.2
109.83262	6.1
113.02466	27.0
116.74447	5.5
119.03517	32.0
143.03435	10.8
157.08705	9.3
161.04587	12.3
163.06120	18.1
179.05600	9.0
205.07220	12.1
211.13506	6.7
246.74620	5.7
256.07443	6.9
271.09665	6.5
291.19662	10.1
527.28534	100.0
528.28558	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	589.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	0.3
65.32507	0.2
69.19451	0.4
69.19850	2.6
72.99310	2.0
75.00874	100.0
75.47838	0.3
76.01205	0.6
76.98855	0.3
81.05972	0.3
147.04434	0.3
213.01508	0.2
244.40256	0.3
260.98468	0.3
264.53159	0.3
277.21887	0.3
279.22018	0.3
411.54245	0.3
471.66095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88349	0.2
59.01371	0.4
61.98822	0.7
64.12327	0.3
66.46379	0.3
69.20176	2.5
71.01380	0.3
72.99307	2.3
75.00874	100.0
76.01223	0.9
78.95901	0.5
88.34667	0.2
89.02438	0.4
89.65899	0.2
95.05096	0.2
115.74686	0.2
131.03496	0.2
152.99530	0.4
155.89914	0.3
202.87860	0.3
234.29308	0.2
277.21674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12716	1.8
59.01380	26.6
61.98831	15.8
71.01376	5.3
71.55460	3.2
80.11094	1.8
82.16050	1.7
83.01374	2.0
84.50596	2.1
89.02429	4.1
101.02448	6.4
113.02400	2.4
121.10264	4.5
151.31252	1.8
171.10262	14.8
183.13914	6.7
195.13893	2.8
215.47745	2.0
223.13420	2.4
253.09337	26.6
275.20154	19.6
293.21240	100.0
294.21497	7.7
408.51849	2.0
496.07217	2.4
614.94983	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30972	2.1
59.01376	12.3
61.98830	100.0
69.31731	21.5
71.01375	16.8
73.02936	5.5
79.99543	2.2
84.68419	2.8
85.02960	12.0
87.13183	2.1
89.02467	5.9
90.55263	2.0
93.47474	2.5
98.19807	5.3
99.00903	3.4
101.02431	11.3
113.02442	6.5
134.14204	2.1
161.04539	10.9
175.15245	2.3
227.80623	2.1
263.22208	2.4
293.21094	4.5
383.24411	11.5
391.98383	2.3
507.25751	2.5
529.30212	33.4
530.30090	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	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.3
61.98824	19.0
70.03053	2.4
71.01379	6.1
71.35648	6.3
81.72577	2.8
89.02413	3.6
101.02431	9.0
113.02407	3.8
119.83436	2.5
120.68824	2.9
161.41408	3.0
171.10213	7.5
195.17618	2.6
235.17026	3.0
253.09283	24.9
275.20215	16.1
293.21225	100.0
294.21481	4.5
329.41547	2.9
399.45752	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	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.5
61.98829	43.3
71.01391	5.9
71.55807	4.8
89.02443	4.2
99.00906	4.0
101.02425	5.2
161.04527	4.3
202.99892	3.3
209.15561	3.8
235.17017	22.9
253.09285	21.3
275.20087	22.4
280.90378	4.1
293.21240	100.0
294.21680	6.2
317.08411	3.6
562.60663	3.8
589.36566	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	589.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.4
61.98835	2.2
63.02891	1.8
69.31330	4.2
69.31744	11.6
71.01397	2.5
78.95920	2.6
89.02470	3.0
96.96967	2.9
101.02423	3.2
116.92843	2.7
152.99490	2.9
179.63011	1.8
240.84363	1.8
253.09300	11.6
279.23288	5.2
293.24869	100.0
294.25195	5.3
468.88489	2.5
505.30283	2.2
507.27170	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	590.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98260	0.4
52.40351	0.4
57.01579	0.5
61.98828	100.0
69.43149	1.3
69.43558	2.1
84.85643	0.5
121.83127	0.5
132.75272	0.4
287.05688	0.5
287.09006	0.4
290.53085	0.4
311.84705	0.5
347.76181	0.5
593.06110	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25344	0.4
52.88488	0.4
54.29350	0.4
59.01363	0.7
61.98831	100.0
71.25083	1.0
161.10544	0.4
180.24495	0.5
229.05049	0.4
282.37918	0.4
294.21497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
59.09459	0.4
61.98830	100.0
62.63913	0.3
70.93443	0.7
71.01368	0.4
113.02473	0.4
144.67128	0.3
156.52493	0.3
163.04062	0.4
306.11642	0.4
367.92938	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54931	0.7
61.98833	100.0
63.34647	0.7
70.75635	1.6
70.75969	0.8
71.82664	0.7
90.19100	0.7
103.61150	0.7
108.35026	0.8
110.04916	0.7
130.65495	0.8
217.80794	0.8
256.07330	0.8
263.96222	0.9
355.78894	0.9
413.99078	0.7
518.24829	0.8
541.66687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98831	100.0
68.56400	0.4
69.19992	5.2
69.47875	0.5
83.29208	0.5
96.44739	0.5
98.19878	1.1
103.47314	0.5
187.11703	0.5
240.72078	0.5
247.68965	0.4
287.40842	0.5
452.70584	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
70.95654	2.6
71.01381	10.8
72.99314	1.1
73.02964	1.2
74.61993	0.9
85.02967	1.0
87.00877	17.6
94.28122	0.9
108.93787	1.9
115.00378	35.3
136.93243	1.9
175.02481	100.0
175.48059	0.9
176.02866	2.0
188.92767	1.2
199.65366	0.9
248.95723	11.7
414.08844	1.1
552.06525	1.1
555.61993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.1
70.95654	2.6
71.01381	10.8
72.99314	1.1
73.02964	1.2
74.61993	0.9
85.02967	1.0
87.00877	17.6
94.28122	0.9
108.93787	1.9
115.00378	35.3
136.93243	1.9
175.02481	100.0
175.48059	0.9
176.02866	2.0
188.92767	1.2
199.65366	0.9
248.95723	11.7
414.08844	1.1
552.06525	1.1
555.61993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1356
Annotation	Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]
Peak:m/z	Relative Intensity
55.83439	0.4
57.03451	0.7
59.01379	8.7
61.98825	2.9
63.02401	3.8
65.00327	2.5
69.03444	0.8
69.37991	2.7
69.38400	0.8
71.01379	4.7
72.99308	0.7
73.02937	2.0
74.42583	0.5
75.00887	2.1
75.01252	0.4
83.01385	4.1
84.15638	0.5
85.02966	2.7
87.00881	2.7
87.53659	0.4
89.02451	3.5
93.03451	1.0
95.01408	1.4
101.02448	3.0
107.01402	5.5
108.02222	0.8
111.00883	1.4
113.02441	6.2
119.03513	1.2
125.02393	0.7
125.49823	0.5
133.02942	0.5
135.00868	0.9
139.80602	0.4
141.01945	1.9
143.03474	0.6
143.05103	1.0
145.02956	0.8
150.10133	0.5
151.00374	13.5
157.06593	0.6
159.04466	0.5
161.02499	0.6
161.04608	1.0
163.00383	2.1
164.01137	1.1
169.01437	1.4
169.06534	0.8
171.04431	0.7
171.88344	0.4
174.01711	0.6
175.02512	0.9
175.04012	0.5
178.99855	0.6
179.05595	1.2
183.04543	0.5
185.06044	1.5
187.03978	1.7
189.05418	0.6
199.03909	0.5
201.05569	0.7
211.03947	1.3
213.05527	1.9
223.13402	1.6
227.03506	9.7
229.05028	6.2
239.03485	1.0
240.04359	0.8
241.04948	1.0
243.03079	0.8
255.02983	17.6
256.03555	1.5
257.04547	8.2
267.02844	0.6
267.12344	1.5
271.02475	1.6
284.03247	19.5
285.04031	100.0
286.04404	6.0
300.02753	2.3
301.03503	4.1
323.09930	1.0
341.10870	6.6
369.15485	1.3
383.11960	0.9
429.17612	2.0
447.09332	23.0
448.09586	1.9
591.13599	4.9
591.23096	2.4
592.14172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
57.97848	0.4
59.01380	9.5
61.98832	3.4
63.02390	2.6
65.00327	2.3
69.03435	0.6
71.01382	6.2
72.99294	0.7
73.02941	2.1
75.00880	2.1
83.01391	4.0
85.02949	1.7
86.90527	0.4
87.00880	2.8
87.52020	0.3
89.02440	3.6
93.03473	1.6
95.01398	1.4
97.81726	0.4
98.19808	0.9
101.02444	3.9
107.01393	5.2
109.02925	0.7
111.00869	1.4
112.98631	0.5
113.02454	5.8
115.00391	0.6
117.03555	0.4
119.01422	0.4
119.03472	1.3
123.00842	0.7
123.04513	0.5
123.83817	0.4
125.02412	0.6
131.03474	0.4
132.02173	0.7
135.00868	0.9
141.01904	2.2
143.03450	0.7
143.05031	0.9
145.02884	0.7
146.49718	0.5
149.06216	0.5
150.99181	0.7
151.00377	13.2
157.06516	0.6
159.04509	0.7
161.02396	0.5
161.04556	1.1
163.00394	2.1
163.03923	0.4
163.06178	0.5
164.01141	1.4
169.01419	1.6
171.04564	0.7
174.01653	0.6
175.02448	1.0
179.05594	1.5
183.04608	0.4
185.06032	1.6
187.03981	1.1
190.02611	0.6
195.04588	0.6
197.06053	0.5
199.03941	0.6
202.89999	0.4
205.12407	0.4
207.10258	0.5
211.04001	1.0
213.05533	1.8
223.13354	1.8
227.03529	8.9
229.05032	5.8
229.57472	0.5
239.03539	0.8
240.04239	0.5
241.05060	1.0
243.03047	0.6
255.02985	15.9
256.03479	1.7
257.04565	7.2
258.05176	0.5
267.12381	1.9
271.02429	1.2
284.03259	17.6
285.04037	100.0
286.04364	6.0
300.02768	1.7
301.03543	4.3
323.10043	1.0
341.10880	7.4
369.15622	1.2
383.11975	1.8
411.16248	0.4
427.06357	0.4
429.17535	2.4
447.09317	23.0
448.09991	1.9
460.33533	0.4
591.13641	4.2
591.23175	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	591.1722
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
51.76497	0.5
59.01382	19.0
61.98827	2.1
69.24062	5.3
71.01383	11.2
71.01768	0.7
72.99297	0.7
73.02943	0.7
76.88958	0.5
83.01431	0.7
84.42807	0.8
85.02957	2.1
87.00905	1.0
89.02447	12.0
91.05532	15.1
91.24975	0.7
95.01374	0.8
101.02437	4.9
113.02456	5.3
115.05530	4.2
117.07104	49.8
118.07442	1.6
119.03503	6.7
132.17450	0.6
133.06595	3.4
135.04506	1.2
143.03491	1.4
146.55936	0.5
149.02406	1.3
161.06078	100.0
162.06421	4.2
163.04021	1.9
164.04782	1.9
175.00330	1.7
179.05603	8.7
179.07059	1.1
179.48875	0.6
187.04001	12.9
190.02687	3.3
205.05048	98.8
206.05399	4.9
223.06136	4.4
264.01859	0.6
325.09409	0.8
341.12405	1.9
385.11395	50.7
386.11667	5.1
401.62112	0.6
545.29486	1.0
561.28601	0.7
591.17004	18.6
591.24884	1.9
592.17236	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1724
Annotation	1,2-Bis-O-sinapoyl-beta-D-glucoside
Peak:m/z	Relative Intensity
51.02468	0.9
57.03448	26.0
58.00587	1.3
58.38203	0.9
59.01385	21.9
61.98830	8.9
63.64991	1.2
66.76842	1.1
69.32347	2.0
69.32670	9.3
71.01389	13.8
72.99297	1.1
73.02955	1.9
75.60819	0.9
85.02944	3.2
87.00890	1.9
89.02448	17.4
91.05560	6.7
99.04530	20.1
101.02451	14.1
107.87090	1.0
113.02446	7.6
115.05553	4.0
117.07113	58.3
118.07473	1.5
119.03509	5.1
119.89805	1.0
125.02454	7.2
129.36977	1.1
133.06570	3.0
135.04474	1.1
141.61897	1.1
143.03555	2.2
159.07353	1.0
161.06079	100.0
162.06400	3.6
163.03981	2.0
166.61188	1.1
175.03944	1.2
179.05670	7.7
179.07062	2.1
182.17122	1.1
187.03984	14.4
198.52440	1.1
205.05054	99.5
206.05399	3.2
220.43185	1.0
227.07175	1.7
240.04352	2.9
255.06627	35.0
256.07141	1.6
269.08170	1.1
270.08942	23.6
271.09247	1.3
285.11340	36.7
286.11655	1.7
341.12277	1.9
384.01654	1.1
385.11414	56.2
386.11853	2.3
394.07480	1.0
406.92429	1.1
487.31970	1.6
531.28137	1.6
591.17151	19.4
592.17639	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	591.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.2
61.78862	0.2
61.98834	2.8
68.99577	0.9
71.01389	2.6
71.56644	0.2
72.99319	0.7
73.02955	0.8
75.00874	2.5
78.95889	0.3
83.01393	0.5
85.02959	1.1
87.00879	0.6
89.02440	1.2
95.01399	0.3
100.33581	0.2
101.02444	1.7
112.98589	1.6
112.99267	0.2
113.02453	1.2
115.00380	0.3
119.03490	0.4
123.04518	0.3
125.02435	0.6
127.03957	0.3
129.01953	0.6
135.04599	0.3
138.03189	0.2
146.03696	0.3
151.00392	0.3
161.04689	0.3
161.06018	0.3
163.06120	0.3
163.67961	0.2
164.04955	0.3
165.04044	4.3
165.05304	0.5
174.01675	0.5
179.07149	0.3
182.65892	0.3
190.02664	0.3
191.66431	0.2
197.06058	2.8
198.06871	3.6
205.07164	0.4
225.05569	4.1
226.06349	41.0
227.06627	1.8
240.07927	5.4
241.08699	100.0
242.09029	5.0
255.02899	0.6
259.06073	0.3
280.07352	0.3
283.09714	0.9
284.03244	0.5
285.04044	0.8
337.06873	0.3
337.10657	0.5
361.18457	0.3
385.12854	0.7
403.13824	0.3
427.13834	0.8
445.15134	0.3
531.18713	3.5
549.19794	14.6
550.20154	1.4
591.20764	12.5
592.21185	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.1
57.69803	1.2
59.01382	64.2
59.01684	3.0
60.01710	1.2
61.98828	11.5
63.02405	1.9
65.00310	1.7
66.56818	1.1
69.03429	1.8
71.01385	29.1
71.41949	1.2
71.56271	1.5
72.99306	2.7
73.02943	16.0
75.00891	6.6
83.01391	13.3
83.05013	1.3
85.02943	10.1
87.00869	16.2
87.04528	1.3
89.02449	27.2
89.63609	1.4
93.03451	2.0
95.01364	3.6
99.00890	2.6
101.02444	22.8
107.01386	5.0
108.02172	1.5
111.00860	1.6
112.98485	1.2
113.02454	23.0
115.00416	1.4
119.03495	8.9
125.02444	2.4
131.03470	2.0
134.03729	1.8
135.00818	1.2
139.54619	1.2
141.01933	2.1
143.03467	4.5
149.04503	1.5
149.06058	1.5
151.00368	12.9
159.04440	1.5
161.02528	1.6
161.04552	8.2
161.13377	2.3
162.02878	1.2
163.00366	2.7
163.11263	1.5
169.06641	1.3
174.01740	1.8
175.02518	3.1
179.05603	8.3
183.04559	1.5
185.06075	3.4
187.03946	2.3
187.11235	2.3
205.12303	5.2
207.10207	5.4
223.13394	19.0
227.03467	19.1
229.05087	8.2
239.03378	1.4
241.05080	1.5
249.11342	3.6
255.02985	38.2
256.03506	4.1
257.04520	7.4
267.12396	17.3
271.02435	5.2
284.03241	53.4
285.04050	100.0
286.04404	7.7
300.02725	5.2
301.03479	12.9
309.13358	1.4
323.09848	6.6
339.14459	3.2
341.10867	46.8
342.11188	2.4
369.15601	8.0
383.11908	8.6
410.07312	1.2
429.17636	28.4
430.18164	2.5
447.09320	60.8
448.09518	4.5
573.21906	2.4
591.13751	7.3
591.23004	18.2
592.23218	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	591.2614
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
61.98839	1.0
71.56020	1.0
82.50433	0.8
125.02385	1.0
242.56572	0.9
251.36333	0.8
255.23267	0.8
399.83524	1.0
443.22388	1.5
445.19836	1.5
459.21976	1.8
466.20865	1.1
471.25513	3.0
472.22577	1.9
473.23471	1.1
482.21161	2.1
485.19659	2.3
487.25052	3.2
497.23505	3.2
499.21173	3.8
500.22107	10.7
515.24536	100.0
516.24976	10.9
559.23505	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	591.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98833	53.8
68.90654	9.5
78.95911	27.1
152.99606	23.7
154.98177	8.8
179.85909	11.0
277.21616	53.3
306.12131	9.3
371.92365	9.2
385.51364	9.9
442.00424	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	591.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29612	0.6
55.47989	0.6
57.84122	0.6
61.98824	1.7
69.23435	2.5
69.23869	4.2
72.99300	1.5
75.00874	100.0
86.08932	0.7
96.96014	11.1
96.96961	0.9
116.92861	0.9
147.90118	0.6
199.72772	0.7
293.25040	0.8
323.70096	0.7
385.17703	0.7
462.01532	0.7
463.47110	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.3
61.98805	1.6
70.28359	1.4
71.01382	2.6
71.47539	2.3
78.95912	2.9
79.47093	1.5
89.02409	1.7
101.02457	4.0
113.67692	1.4
126.42576	1.7
133.17514	1.6
152.99506	2.0
253.09264	13.6
281.24875	2.1
295.26404	100.0
296.26923	8.6
428.18839	1.6
509.28989	3.0
570.19263	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77989	0.3
61.98832	100.0
68.26774	0.3
71.04329	0.8
80.96521	0.5
84.72131	0.3
100.89827	0.3
121.03001	1.0
130.85864	0.3
165.02011	0.9
363.94150	0.3
593.26703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36300	0.2
55.01501	0.2
61.38936	0.2
61.98833	100.0
62.98544	0.3
71.55225	0.3
71.55613	0.2
79.69579	0.2
100.13765	0.2
100.63851	0.2
174.76343	0.2
220.18477	0.2
255.02965	0.2
264.31085	0.2
284.03418	0.2
429.16385	0.2
593.16083	0.4
593.25861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62968	0.7
55.07535	0.6
61.98832	100.0
83.61540	0.6
121.02975	2.0
131.45714	0.7
144.33043	0.6
172.77432	0.7
209.04630	2.0
210.60893	0.7
255.03140	1.5
284.03210	3.5
285.68109	0.7
424.95306	0.7
448.80960	0.7
575.94342	1.0
593.15320	4.0
593.27026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.98830	100.0
69.22798	4.1
74.63457	0.4
75.05017	0.3
80.96527	1.5
94.98113	0.7
100.42435	0.4
101.79992	0.4
110.40239	0.5
121.02964	1.0
125.75264	0.4
154.24582	0.4
209.04590	0.8
212.81398	0.4
227.03641	0.7
255.03091	1.5
284.03342	1.8
285.03937	0.4
296.22986	0.5
593.15454	1.6
593.26691	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	592.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88518	0.5
58.17139	0.5
59.01384	1.4
59.40906	0.6
61.98830	100.0
71.01395	1.4
72.16971	0.5
72.63407	0.5
85.02963	0.7
93.43996	0.6
98.19762	1.2
101.02479	1.8
121.02946	6.1
161.04607	1.1
181.33740	0.6
209.04539	4.0
227.03600	0.7
229.85173	0.6
255.03046	2.0
256.06573	0.6
284.03354	1.6
285.04178	0.8
302.54147	0.5
335.36670	0.6
447.33298	2.5
593.14850	2.2
593.39160	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	592.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20604	0.3
51.88951	0.3
52.50616	0.3
56.56631	0.3
59.01370	0.5
61.98829	100.0
71.01375	0.3
73.11356	0.3
77.30181	0.3
79.62498	0.3
88.24522	0.3
101.02451	0.8
107.04689	0.3
116.26027	0.3
121.02950	2.7
173.32011	0.3
209.04578	1.6
227.03535	0.3
255.02983	0.5
276.17468	0.3
284.03357	0.7
291.27942	0.3
294.31467	0.3
447.33252	1.0
464.14059	0.4
571.27484	0.4
593.14990	0.8
593.38959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
61.51048	0.2
61.98833	1.4
70.45270	0.2
70.45609	0.6
71.01391	0.3
73.30056	0.2
73.84341	0.2
76.04700	0.2
76.14149	0.2
77.03964	0.4
91.01883	0.4
93.03455	0.4
101.02551	0.2
120.02208	0.6
121.02956	100.0
122.03277	2.2
136.01692	0.5
145.76628	0.2
150.19102	0.2
165.01926	3.9
180.05794	0.6
181.05052	0.4
181.06570	2.6
184.79607	0.2
197.06120	1.5
199.07698	0.3
207.04514	0.7
207.08211	0.2
209.04541	55.8
210.04871	2.1
223.03954	0.3
225.05585	1.9
251.06990	0.2
255.03058	0.2
257.09708	0.5
284.03223	0.4
313.07199	1.6
357.06265	0.7
367.95770	0.2
373.10596	0.2
383.07730	1.5
401.08878	0.3
417.09802	1.0
447.33301	0.2
493.68036	0.2
505.11346	3.2
506.11581	0.3
549.10425	6.6
550.10645	0.6
592.47253	0.2
593.13031	9.7
593.39313	0.3
594.13336	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1302
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
51.36827	0.5
59.01374	3.1
61.98834	10.7
63.02390	1.2
65.00311	0.7
73.02944	0.6
76.39091	0.5
83.01406	1.3
84.07265	0.5
85.02990	0.8
89.02441	0.9
93.03472	1.9
101.02427	1.3
107.01391	3.4
109.02977	0.6
114.99158	0.5
117.03454	3.7
119.05039	3.1
125.02492	1.4
132.02177	1.1
135.00894	1.8
135.04543	0.7
143.05040	1.0
145.01871	1.0
145.02962	12.3
151.00342	6.3
157.06471	0.6
159.04469	0.7
161.06111	0.7
163.00381	2.9
163.03989	2.5
164.01118	0.6
167.04991	0.8
169.06607	1.4
171.04465	1.2
173.06192	0.6
183.04518	2.0
184.05324	0.6
185.06036	2.0
187.04007	4.8
189.05655	0.8
195.04607	0.7
196.09285	0.5
197.06012	1.2
199.04015	1.6
200.04834	0.7
201.05531	1.2
211.03932	3.5
212.04781	1.2
213.05579	2.1
214.02617	0.6
227.03497	42.1
227.07166	2.3
228.03908	2.0
229.05081	10.0
239.03441	2.0
240.04015	0.7
241.04962	1.3
243.03000	0.8
243.10246	11.1
243.12738	0.7
255.02975	73.1
256.03595	9.1
257.04553	8.1
269.04425	0.8
284.03250	82.5
285.04019	100.0
286.04419	5.9
307.08313	3.6
327.05133	0.9
432.21637	0.5
447.09073	3.6
533.19922	1.6
551.21631	2.5
551.28625	0.6
593.13123	82.8
594.13373	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1515
Annotation	Datiscin
Peak:m/z	Relative Intensity
56.62002	0.5
59.01377	4.1
61.98832	12.2
62.96720	0.4
63.02395	0.7
65.00319	0.6
69.35842	4.3
72.99338	0.6
74.19846	0.4
83.01387	0.9
88.98803	0.5
89.02430	0.9
93.03477	1.1
101.02444	0.6
107.01394	2.2
108.02195	0.6
109.02962	1.5
113.02487	0.6
115.92027	1.0
116.92865	3.2
117.92857	0.6
121.02905	0.6
125.02427	1.0
132.02228	0.8
135.00880	1.9
138.01407	0.5
143.04971	0.7
148.01649	0.7
151.00365	3.2
157.06560	1.0
159.04472	1.2
161.04384	0.4
163.00403	2.7
165.01820	0.8
167.05022	0.7
169.06598	0.9
171.04491	0.8
174.01682	0.4
178.99867	0.9
181.75694	0.6
183.04489	1.5
185.02444	0.6
185.06073	2.8
187.03955	3.5
189.05472	1.2
195.04573	0.8
197.06055	1.3
199.03906	0.7
201.05611	0.9
211.03897	3.0
213.05560	2.5
226.02748	0.7
227.03488	28.4
228.03897	1.5
229.05032	10.3
239.03540	3.0
240.04115	0.8
241.04965	1.4
243.02977	3.8
253.05006	3.2
254.02126	0.9
254.05803	3.3
255.02971	51.9
256.03476	5.1
257.04562	5.3
259.06223	0.8
269.04492	0.6
269.08286	4.3
271.02472	21.4
272.02942	1.7
283.02362	0.6
284.03250	45.3
285.04025	100.0
286.04370	5.8
300.02734	45.9
301.03253	4.6
392.00565	0.5
429.99060	0.6
431.13382	0.8
449.09955	1.0
521.39136	0.7
575.14166	8.2
576.14563	1.0
593.15051	54.4
594.15308	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78455	0.4
69.19599	4.8
80.65282	0.4
94.79850	0.4
95.01329	0.5
99.21672	0.4
107.01383	1.2
108.02240	0.4
132.02180	0.8
135.00888	0.9
151.00371	2.2
164.01308	0.5
178.99832	1.6
183.04485	0.7
211.03877	0.9
227.03487	26.7
228.03900	0.8
229.05026	1.0
255.02972	51.0
256.03586	5.0
257.04480	1.2
283.02560	0.7
284.03250	100.0
285.03891	15.5
286.04446	0.8
309.04062	0.5
327.05069	0.5
347.59845	0.5
429.08218	1.7
447.09000	0.5
593.15100	67.9
594.15381	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	593.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65725	3.0
69.66129	0.9
79.20152	0.5
83.01395	0.6
93.03471	1.2
102.44910	0.5
103.22566	0.5
107.01398	1.7
109.02953	0.6
132.03816	0.5
135.00887	1.0
138.31483	0.6
143.05008	1.2
150.99287	0.6
151.00380	2.3
157.06602	0.9
159.04495	0.9
163.00394	2.8
165.01938	0.6
167.45210	0.4
169.06549	0.8
183.04495	1.3
185.06027	2.0
187.03964	2.2
189.05556	1.0
195.04477	0.7
197.06049	1.1
199.03961	1.1
201.05592	0.9
211.03944	1.5
213.05530	2.0
227.03500	25.5
228.03897	1.7
229.05058	10.9
230.05344	0.9
239.03494	1.6
240.04138	1.2
241.04993	1.6
242.05458	0.6
255.02985	45.2
256.03604	5.4
257.04547	6.9
267.02911	1.0
283.02386	0.6
284.03262	71.4
285.04025	100.0
286.04431	6.7
318.23126	0.6
327.05099	0.8
346.66925	0.5
430.25549	0.5
593.15112	83.1
594.15436	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	593.151
Annotation	Vicenin 2
Peak:m/z	Relative Intensity
56.09489	0.8
69.48141	5.6
69.48505	1.0
71.01376	0.8
79.01899	0.9
82.15719	0.8
93.03448	3.0
102.03830	0.7
108.53063	0.7
117.03468	8.4
117.57203	0.7
119.05027	2.2
131.05014	0.9
135.04523	3.7
145.03008	0.7
147.04541	0.8
149.02428	1.5
149.05984	1.2
159.04457	1.3
161.02411	4.1
161.05991	0.9
163.04045	3.5
175.03999	3.0
177.01947	1.1
177.05516	2.9
179.03502	1.6
189.01991	1.2
191.03494	1.5
197.06035	1.0
203.03441	2.1
217.05054	0.8
221.04515	1.3
233.04713	1.0
248.29259	0.7
251.07271	0.7
252.08020	0.9
253.08479	0.8
268.07382	1.8
279.06516	1.9
281.04474	1.2
282.05270	3.4
283.06018	4.9
293.08072	1.2
295.06088	7.3
296.06854	4.1
297.07669	31.5
298.08060	1.8
307.06140	2.8
308.06961	0.9
309.07693	4.2
311.05496	3.6
323.05527	4.8
325.07092	9.4
328.05829	3.8
335.05505	2.0
337.07190	3.2
353.06659	35.6
354.07117	2.3
355.08304	1.1
356.05020	0.9
365.06723	6.0
368.58749	0.8
383.07712	18.1
384.07870	1.6
395.07556	2.4
413.08795	2.2
473.10934	15.5
474.11160	1.5
480.96869	0.8
503.11996	4.2
593.15082	100.0
594.15448	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	593.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94331	1.3
56.27374	1.3
57.03455	8.9
57.68096	1.2
57.72974	1.2
59.01383	4.4
61.38845	1.2
61.98838	18.6
63.02396	1.5
65.00344	3.2
66.90064	1.3
71.01385	2.8
74.27316	1.2
83.01388	7.1
85.03004	1.6
93.03505	4.2
97.10050	1.3
98.19833	3.1
101.02464	2.1
107.01412	7.5
107.05016	1.5
109.02979	3.0
110.00811	1.4
110.14031	1.4
117.03472	2.2
117.05602	2.1
118.45840	1.5
123.04585	1.9
125.02450	58.3
131.09357	1.4
133.02992	2.4
135.00974	1.7
149.02487	3.3
151.00383	24.9
152.01208	5.9
153.01947	8.7
157.06615	2.1
157.74500	1.4
159.04512	3.0
161.08234	3.0
163.00385	5.1
165.02036	3.2
169.06721	2.1
172.05383	2.2
173.06078	6.4
175.03975	3.0
176.01239	3.1
177.05608	3.3
178.99869	12.0
179.03510	1.7
185.06180	1.5
187.04095	2.0
189.05734	1.8
195.20203	1.4
196.05423	1.4
197.06131	3.3
199.04155	1.6
201.05624	3.5
211.03885	3.2
213.05783	1.7
215.07297	5.5
225.05676	3.1
227.03488	27.0
228.03989	1.8
229.05038	10.3
229.73573	1.3
239.03619	5.2
241.05061	6.3
243.03023	2.4
243.06721	4.3
253.05241	5.3
254.05743	9.1
255.02986	45.0
256.03793	4.6
257.04614	4.2
259.06119	70.5
260.06558	4.7
269.04697	73.0
269.08267	16.3
270.05090	4.7
271.02536	7.7
284.03275	43.2
285.04041	100.0
286.04346	8.6
287.05621	43.9
288.06119	2.7
300.02722	13.5
301.03317	2.1
311.05472	2.3
431.09427	2.0
431.14279	2.2
449.11041	4.6
451.33093	2.1
466.33868	1.5
549.16632	4.8
562.73041	1.9
575.13947	6.5
593.17932	56.4
594.18390	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	593.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.0
61.87436	0.3
61.98830	20.8
71.01409	1.5
85.02950	0.6
89.02466	0.6
98.20662	1.4
101.02469	0.7
113.02448	0.9
135.04553	0.4
151.00446	0.5
160.97926	0.4
179.03537	0.4
203.43733	0.4
204.67340	0.3
205.26599	0.4
211.04001	26.8
212.04370	1.9
227.03545	2.7
229.05052	0.6
239.03488	24.0
240.03828	1.1
243.10440	0.6
253.04962	1.9
254.05840	83.9
255.02998	4.3
255.06183	4.7
256.03598	0.4
268.07870	0.4
269.08179	100.0
270.08560	6.4
277.00839	0.4
284.03296	5.9
285.04037	7.9
431.13428	38.0
432.13843	2.7
455.19052	0.4
470.80923	0.4
489.30121	0.4
575.13599	1.2
593.15002	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	593.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	1.1
59.01381	28.7
60.48542	0.8
61.98833	4.1
62.48792	0.8
68.69064	0.7
69.56997	4.2
71.01380	13.0
72.99317	0.8
73.02959	1.1
73.45705	0.8
76.34167	0.8
83.01372	1.1
85.02959	3.1
87.00864	1.3
88.98839	1.2
89.02444	18.2
93.03471	0.9
101.02457	6.1
113.02444	6.2
116.92880	0.9
117.03468	5.1
119.03502	7.2
120.95297	0.8
121.59612	0.8
125.02473	0.8
131.03487	1.5
133.02980	1.2
135.04514	1.1
143.03491	2.5
147.04564	0.9
149.02472	1.0
149.04573	1.0
150.85191	0.8
153.01924	1.5
161.02403	2.7
161.04529	2.9
163.03989	1.4
168.04237	1.7
177.01982	0.8
178.99864	1.2
179.05626	9.4
183.06621	1.7
191.03502	0.9
221.04393	0.8
227.03490	1.8
253.05101	1.0
255.03116	1.6
268.03711	0.8
269.04483	3.6
270.05106	1.2
281.04587	4.3
282.05298	9.4
283.02927	1.4
283.06082	14.7
284.03253	2.2
284.06345	1.6
285.04095	5.5
295.02466	3.2
295.06097	3.2
296.06531	1.1
297.04016	20.7
297.07626	8.7
298.04739	8.7
299.05478	1.7
307.06094	1.0
309.04025	3.0
309.07440	1.1
310.04758	1.2
311.05652	29.4
312.05872	3.0
323.05536	2.3
325.03528	0.9
325.07129	3.0
327.05130	3.6
328.05695	0.9
337.07236	1.6
341.06680	3.8
342.07260	0.9
353.06671	16.8
354.06863	1.4
357.06149	1.4
365.06589	2.1
383.07730	9.8
384.08047	1.2
395.07578	0.9
413.08713	1.2
429.08258	1.0
431.09821	7.6
432.10519	1.3
473.10825	10.4
474.11069	1.6
491.17572	1.8
503.12061	1.8
533.26251	1.5
593.15100	100.0
594.15515	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	594.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
67.85151	2.3
70.96870	4.7
74.59962	2.3
74.60388	2.5
119.08648	2.5
120.23265	2.5
135.04529	3.6
139.07063	2.3
140.30705	2.7
154.76259	2.4
215.80399	2.4
217.75890	2.5
298.15790	2.9
386.09128	2.8
474.27823	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	594.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82135	1.2
61.98830	100.0
70.78033	2.3
70.78381	2.7
72.85233	1.3
78.95905	1.3
83.74037	1.4
114.27003	1.4
128.06416	1.2
163.11244	1.8
178.10017	2.4
179.10724	10.8
191.10806	2.5
237.32741	1.3
256.23776	1.6
259.80856	1.5
355.22806	24.9
356.23145	2.5
432.78430	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	595.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.9
61.98832	6.0
63.02401	0.7
65.00334	0.8
66.74064	0.4
83.01406	0.6
85.02977	0.6
93.03456	2.1
93.09657	0.4
96.34001	0.4
98.20770	0.5
101.02460	0.5
107.01406	1.5
109.02975	0.6
119.05058	0.5
125.02436	0.5
132.02216	0.8
135.00906	1.6
137.02475	0.8
143.05083	0.8
151.00464	2.0
156.05772	0.4
159.04514	1.0
161.06004	0.6
163.00398	1.6
164.01189	0.4
169.06549	0.7
183.04521	1.0
185.06102	1.4
187.03978	2.5
189.05557	0.6
195.04500	0.7
197.06129	0.7
199.03949	0.7
200.04860	0.5
201.05368	0.5
210.82860	0.4
211.03976	2.9
213.05539	1.8
227.03487	28.0
228.03821	2.2
229.05038	9.5
229.87717	0.5
230.05215	0.5
232.64224	0.4
239.03499	1.0
240.04237	0.7
241.05072	1.6
255.02974	47.5
256.03571	5.4
256.07465	0.5
257.04562	7.2
257.07642	0.5
267.03067	0.6
269.04361	0.9
271.09955	0.5
284.03253	41.9
285.04028	100.0
286.04419	5.5
286.07541	0.5
286.08893	0.4
427.12494	0.6
595.14551	41.4
596.14740	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	595.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21884	1.2
58.00579	1.6
59.01378	35.1
65.00318	3.6
66.08477	1.2
68.22453	1.1
68.71136	1.1
69.73905	6.6
71.01380	14.9
72.61235	1.3
72.99317	1.4
77.50105	1.5
83.01385	2.9
85.02943	3.8
87.00847	1.9
89.02442	12.3
91.01855	1.3
93.03449	14.3
95.01417	2.0
97.02963	1.7
101.02462	6.8
103.01907	3.8
105.03407	1.4
112.07594	1.1
113.02454	3.3
117.03416	2.0
119.05022	73.6
120.05379	3.1
121.02938	3.6
125.02431	5.3
131.01390	25.6
136.01643	3.9
143.04884	1.4
145.02945	5.4
149.02458	2.8
151.00385	6.9
161.02457	2.1
163.00314	4.8
164.01151	3.2
165.01947	3.1
175.00354	91.5
176.00748	2.2
177.01843	2.5
185.06172	1.5
189.01930	7.7
193.01393	8.4
200.73085	1.3
201.01900	2.5
205.01396	2.8
209.04503	1.9
217.01392	6.3
219.02739	1.6
269.04565	7.2
271.06073	7.3
283.06213	2.9
284.06790	1.8
295.06079	100.0
296.06454	6.8
312.06287	3.5
313.07153	53.6
314.07559	3.5
325.07077	6.0
337.07068	8.0
343.08249	13.5
355.07767	2.0
397.09082	2.4
415.10303	16.5
433.11102	4.1
475.12418	48.2
476.12570	4.0
595.16602	70.2
596.16992	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	595.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42092	0.3
51.75018	0.3
53.74979	0.3
57.03423	0.4
59.01376	4.2
61.98537	0.5
61.98829	8.6
71.01385	4.6
71.10509	0.7
71.47691	0.3
72.99310	0.4
73.02952	0.6
83.01355	0.6
85.02959	2.1
87.00882	0.6
89.02461	2.5
95.01389	0.5
97.02922	0.7
99.00877	1.0
101.02436	3.2
113.02447	3.8
116.92854	0.5
119.03490	1.3
128.21445	0.4
143.03519	1.7
151.00385	0.8
161.04544	2.7
161.05963	0.7
177.05724	0.4
179.05602	1.3
187.04041	0.4
191.95918	0.3
205.31711	0.3
212.04758	0.7
213.05562	23.0
214.05936	0.8
240.04236	0.5
241.05064	49.6
242.05403	2.4
255.06572	3.2
256.07404	98.0
257.07758	5.7
271.09750	100.0
272.10092	6.4
285.04111	2.0
315.25418	0.7
323.09790	6.5
433.14883	1.1
433.28552	0.4
461.15808	0.3
477.30829	2.6
500.53497	0.4
595.20435	19.9
595.33325	1.6
596.20880	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	595.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
58.00580	2.0
59.01380	30.3
61.98824	12.5
65.00306	0.9
69.18960	1.7
69.19347	8.9
71.01382	11.9
72.99321	3.3
73.02944	3.3
75.00874	1.3
80.05110	0.8
81.03468	1.0
83.01389	1.4
85.02953	6.5
87.00883	1.8
88.98792	3.5
89.02445	8.6
95.01391	0.9
97.02966	1.5
99.00903	1.4
101.02439	11.0
103.04009	4.9
107.01405	1.8
108.09837	0.7
111.00855	1.1
113.02457	2.7
116.92917	1.4
117.03490	1.8
119.03474	4.2
119.05013	1.3
121.02981	1.7
123.00890	1.9
124.01673	1.7
125.02446	7.0
135.04509	1.4
137.02496	1.8
145.02945	5.1
149.02431	1.6
151.00378	2.4
163.04019	2.5
163.06113	1.2
165.01834	1.0
175.00410	1.0
175.02499	2.0
178.99864	1.4
179.03427	1.9
183.04514	0.9
185.06160	1.5
187.04042	1.2
190.02733	1.1
197.23616	0.9
205.05055	1.8
210.77419	0.8
211.04082	1.9
227.03516	2.6
229.05118	4.6
239.03543	2.0
239.07111	3.7
242.02287	3.2
253.05109	1.3
254.05939	2.8
255.02974	7.1
255.06735	2.2
256.03717	15.3
256.06671	1.0
256.07388	0.7
257.04541	100.0
258.04828	5.0
259.06049	6.2
269.04590	9.3
269.08200	3.9
270.05350	4.2
271.06143	12.9
271.09760	4.1
272.06882	63.4
273.07333	3.2
284.03326	2.7
285.03952	4.5
285.07315	1.6
286.04205	3.0
286.08496	1.7
287.05817	3.3
287.09232	69.6
287.22476	1.5
288.09653	2.9
307.08243	4.2
329.10193	2.3
344.06735	1.0
401.08905	2.2
416.11038	4.7
421.15164	0.9
431.13516	9.4
432.14304	1.5
449.14520	17.2
449.27606	1.7
450.14944	1.4
565.13513	1.6
580.18274	3.2
595.20581	51.9
595.33105	2.2
596.20905	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	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03435	0.9
58.00571	1.4
59.01377	31.5
61.98831	4.4
69.27075	4.0
69.31033	0.4
71.01381	20.3
72.99294	1.8
73.02937	1.0
75.00842	0.6
83.01379	1.7
85.02950	3.8
87.00851	1.4
89.02444	22.0
95.01372	1.1
97.02946	0.7
101.02435	15.3
113.02447	9.1
119.03506	11.9
125.02415	0.9
131.03462	0.7
143.03491	3.4
144.55438	0.4
149.04510	1.1
161.04599	2.4
179.05641	2.0
185.06017	0.5
194.57394	0.4
213.05553	26.5
214.05968	1.5
221.06621	0.9
222.24025	0.4
227.07208	0.5
240.04280	2.1
241.05054	55.5
242.05321	2.7
254.05807	0.6
255.02698	0.6
255.06618	8.0
256.07394	100.0
257.07727	6.2
269.08228	0.5
270.08972	1.6
271.09735	98.9
272.10083	6.1
284.03265	1.0
285.04080	1.2
286.04187	0.8
287.22260	1.4
313.10870	0.7
323.09882	0.8
337.10565	0.5
415.13995	1.1
433.15024	10.7
449.27414	0.9
595.20404	39.1
595.33331	4.9
596.20612	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52723	0.2
61.98832	1.0
69.53207	1.5
110.92445	0.3
123.04519	0.4
123.73618	0.2
131.29454	0.2
157.67641	0.2
167.03471	0.9
213.05557	13.0
214.05896	0.6
241.05066	39.1
242.05310	1.9
255.06630	1.1
256.07410	79.3
257.07736	4.2
271.09756	100.0
272.10086	6.9
319.37158	0.2
433.15024	25.5
434.15317	2.3
595.16541	0.5
595.29395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	25.2
61.98832	30.1
65.00333	3.1
71.01379	23.6
73.02945	7.8
75.00874	3.4
83.01410	4.3
85.02969	13.3
87.00867	4.7
89.02466	5.8
99.00860	3.6
101.02447	18.6
113.02436	10.8
115.31860	2.7
119.04998	10.5
121.02961	3.4
123.00850	3.3
125.02434	6.1
131.03470	4.5
132.71362	2.7
149.02402	3.5
151.00414	3.4
161.04581	14.3
161.05914	3.4
165.01936	3.1
193.01419	6.3
207.66826	2.9
212.08438	23.4
227.10776	100.0
271.06082	3.0
313.07172	36.5
343.08206	10.5
370.71350	3.0
389.16296	5.3
535.08984	3.1
535.21777	32.0
583.84277	3.4
595.24286	4.7
595.33282	40.6
596.32947	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	595.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29608	0.5
52.39261	0.5
59.01382	2.8
61.98834	6.8
65.00328	1.1
71.01373	1.9
72.99312	0.6
81.03464	0.7
81.25508	0.5
83.01404	0.7
85.02962	0.7
89.02467	1.0
91.01896	1.2
93.03464	1.7
95.01390	0.7
96.08488	0.4
97.02975	1.1
101.02480	0.9
105.03343	0.7
107.01392	1.2
116.28346	0.6
117.03456	1.8
119.05020	4.3
119.29840	0.7
120.02174	2.0
120.38907	0.5
121.02957	100.0
122.03310	2.9
122.60099	0.5
123.00836	0.6
123.04527	1.1
125.02456	3.9
126.90520	0.9
134.34174	0.6
135.04535	1.8
136.01657	1.2
137.02440	1.4
145.02905	0.8
149.02435	8.1
151.00397	1.3
161.02396	1.1
161.04594	0.6
162.02818	0.6
163.00381	0.6
163.04057	0.5
165.01927	1.5
165.05533	0.9
166.02698	0.8
167.03505	4.5
175.00337	1.1
175.02557	0.6
179.03497	1.4
181.05031	0.7
191.03497	1.1
193.01414	4.0
193.05107	0.7
197.04561	0.7
209.04541	89.9
210.04810	2.8
219.03026	0.8
227.07033	0.8
253.04985	0.7
271.06195	1.6
280.50323	0.5
295.06091	1.0
297.07391	1.0
311.05444	0.6
313.06866	13.2
314.07330	0.9
325.07132	0.6
327.07932	0.6
329.06601	1.2
337.14630	0.5
343.08170	3.4
353.06693	1.4
354.07047	1.2
355.07422	1.9
359.07703	1.2
385.08319	1.1
433.13342	1.9
474.11636	0.6
475.12347	4.2
595.15924	13.1
596.15900	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2886
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
66.54047	0.9
69.49406	1.7
69.49807	6.5
77.44585	0.9
78.33360	0.9
78.95908	72.9
80.91695	1.5
96.96956	12.1
109.02961	1.0
150.98015	1.6
152.99590	97.8
171.00612	2.0
186.21269	1.1
222.75325	1.0
223.00066	8.1
241.01183	30.0
259.02164	1.1
269.91306	1.1
271.23151	1.2
279.23288	63.2
280.23639	5.7
315.04871	16.6
407.29254	1.1
415.22470	1.6
595.28900	100.0
596.29144	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
54.55662	0.5
61.98805	1.9
62.96393	0.7
64.63329	0.6
73.49460	0.6
78.95905	66.9
83.18497	0.5
86.67077	0.5
88.23686	0.6
96.96972	14.1
98.19880	2.0
119.94711	1.3
134.98491	0.8
150.97983	1.1
152.99588	63.3
171.00710	0.8
181.73814	0.5
189.96248	0.6
223.00131	1.9
225.74376	0.6
241.01201	30.9
279.23276	67.7
280.23657	4.6
315.04886	11.2
327.81659	0.6
387.65012	0.9
415.22549	5.7
416.22775	1.1
433.23621	1.0
500.09314	0.8
531.65314	0.8
595.28870	100.0
596.29156	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	596.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80452	1.3
59.01379	16.6
61.98830	96.0
62.34410	1.4
66.52461	1.5
71.01382	5.7
72.99295	1.8
73.02969	1.6
74.57520	1.3
75.00842	1.7
85.02939	2.4
89.02454	1.8
91.05521	6.7
98.19884	5.9
101.02444	4.9
113.02447	4.0
117.07104	50.4
119.03501	2.1
121.02928	2.8
123.04553	2.5
135.04517	2.3
161.06088	78.2
162.06429	3.0
165.05573	2.4
187.03955	4.7
195.06586	2.0
205.05061	56.1
206.05408	3.1
207.06645	1.7
229.08675	2.1
229.76801	1.6
271.06271	1.8
271.09393	2.0
287.22107	2.1
357.04459	1.6
427.12433	100.0
428.12729	6.2
489.95505	1.9
596.19226	3.1
596.33521	3.6
597.18445	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	596.164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.0
61.98832	100.0
69.31885	10.5
71.01385	4.1
85.02958	2.1
87.21699	1.4
89.02452	2.7
91.05525	4.5
98.19875	2.6
101.02460	3.1
113.02458	1.9
115.05519	2.2
117.07108	33.7
118.07455	1.7
149.02420	1.3
150.03220	2.3
160.01595	1.4
161.06088	66.5
162.06389	2.7
165.05568	3.0
171.25739	1.3
187.04048	3.5
195.06657	1.5
205.05063	48.2
227.03537	6.3
228.03914	4.0
229.05116	2.1
230.05434	1.8
255.02959	10.3
256.03397	9.7
256.07382	1.8
271.09668	2.7
272.10007	1.9
284.03287	8.5
285.03931	26.7
286.04385	19.8
287.04654	1.7
427.12411	61.5
428.12741	4.0
561.28723	2.3
595.33447	1.5
596.14722	13.5
597.14337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62523	0.3
59.01385	1.8
61.98831	100.0
71.01383	1.0
71.55418	0.5
72.48156	0.3
73.02956	0.4
77.18347	0.3
85.02946	0.5
101.02425	0.7
113.02468	0.4
115.05542	0.9
123.04528	0.4
145.02971	0.6
161.06096	0.6
163.04066	0.7
176.01180	0.7
181.86394	0.3
183.08139	0.8
187.04048	1.3
191.03322	0.7
198.06900	0.5
226.06400	1.4
227.07042	2.8
228.07535	1.3
232.20876	0.3
439.99396	0.4
514.47729	0.4
553.45172	0.4
583.03851	0.4
595.33124	0.6
596.18549	4.0
596.33521	0.6
597.19122	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98146	0.2
59.01377	0.7
61.98830	100.0
69.89002	1.0
73.17705	0.2
89.02456	0.2
98.19815	0.2
101.02485	0.3
111.48669	0.2
119.05053	0.3
125.02457	0.3
165.05537	0.4
194.36543	0.2
195.06641	0.3
197.52994	0.2
205.97032	0.2
248.00497	0.2
313.07263	0.3
314.07520	0.2
315.08844	0.3
326.07419	0.2
376.83627	0.2
477.13895	0.4
502.20447	0.2
566.34753	0.2
596.17163	0.8
597.15570	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.1
59.96207	0.5
60.01702	0.5
61.98832	100.0
65.00330	0.9
70.68427	1.2
70.68822	0.9
71.01383	3.1
72.01704	0.5
72.99312	0.7
73.02959	0.6
74.51877	0.5
83.01382	0.7
85.02956	0.7
89.02458	2.2
93.03446	2.7
101.02461	1.9
107.01367	1.1
113.02428	1.0
119.03529	0.7
119.05032	14.3
120.05360	5.4
121.02962	1.2
125.02466	1.4
131.01378	3.4
132.01714	1.5
136.01653	0.6
136.96693	0.4
137.02507	0.6
145.03023	0.7
149.02402	1.3
150.03040	0.5
151.00377	2.0
158.59180	0.5
161.02449	0.6
163.00427	0.7
164.00928	0.6
165.01869	0.7
165.05606	0.8
175.00374	11.7
176.00673	5.9
177.05540	0.5
178.02718	0.5
179.03600	0.5
187.04060	0.5
189.01903	1.3
190.02261	0.8
193.01390	2.6
194.01767	1.0
205.01526	0.5
209.04591	0.8
211.46956	0.5
217.01404	0.8
222.04298	0.5
269.04480	2.0
270.04816	2.5
271.06247	0.9
272.06393	1.3
284.06665	0.5
292.39011	0.5
295.06128	9.3
296.06461	13.8
297.06720	1.0
313.07184	5.6
314.07504	8.0
315.00610	0.5
325.07275	0.6
326.07346	0.8
337.06982	0.6
338.07635	1.9
343.08206	1.0
344.08493	2.5
356.08456	0.7
368.08423	0.6
386.09607	0.7
391.09586	0.5
398.10165	0.6
415.10590	1.1
416.10800	2.9
434.11682	1.6
475.12274	1.7
476.12845	10.3
477.13214	1.1
506.13303	0.6
596.17017	18.1
597.17285	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	597.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.5
61.98829	7.9
63.97957	0.8
69.03481	0.9
69.20753	4.5
69.21185	3.6
71.01371	3.4
83.01376	1.7
85.02927	2.5
88.98787	0.8
89.02441	1.5
93.03458	39.8
94.03823	1.0
95.01366	2.2
97.02924	1.6
98.20611	1.4
101.02435	2.3
107.01345	0.9
108.02180	1.1
113.02419	2.3
119.05062	1.8
121.02988	1.1
123.00880	12.2
123.04445	1.3
124.01669	25.0
125.02448	18.7
133.02986	1.1
137.02446	47.9
138.02800	0.9
149.99586	38.9
151.00323	2.2
162.43283	0.7
167.03508	1.9
168.00639	79.1
169.01372	6.0
179.03423	2.4
181.89998	1.0
255.02910	1.9
269.06570	1.7
273.47159	1.1
284.03336	1.7
285.03882	0.9
449.27646	1.9
451.29074	1.1
459.11383	19.4
460.11975	1.4
477.12430	11.6
478.12750	1.1
494.08624	0.9
561.28943	2.6
597.14526	100.0
598.14905	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	597.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41431	0.5
54.13181	0.6
59.01366	1.3
68.99793	1.0
69.03442	1.6
71.01354	1.3
71.33533	1.2
73.02928	0.9
75.94574	0.6
81.03461	7.1
82.86436	0.6
83.01381	6.5
85.02935	1.1
90.22750	0.5
93.03461	4.9
95.01361	2.3
95.05030	4.3
97.02949	5.5
98.80366	0.6
99.00851	1.1
99.04479	2.8
101.02397	0.8
107.01359	0.8
107.04977	2.3
108.02146	1.0
109.02902	2.7
111.00847	1.2
111.04507	2.6
113.02407	1.8
117.78438	0.7
119.05026	7.9
121.02956	3.7
121.06599	1.1
123.04527	15.3
124.01653	0.9
125.02444	13.7
135.04553	4.3
137.02443	5.7
137.06076	6.4
138.03159	0.8
139.04022	9.3
141.05608	0.7
147.04572	3.0
149.02431	1.3
149.06070	1.5
151.03987	3.8
153.05511	1.5
155.03455	1.2
161.06056	2.1
163.04054	4.0
163.05185	0.6
163.07603	1.4
164.04707	1.4
165.01883	2.8
165.05562	7.4
166.02658	1.6
167.03494	30.4
174.22134	0.6
175.04051	0.8
177.01900	1.1
177.05511	1.9
179.03465	6.9
179.07095	1.2
181.05009	2.7
189.05592	6.6
191.03430	2.7
191.07242	0.9
193.05042	4.6
197.04547	5.3
205.05049	1.0
207.06596	1.8
209.04552	27.5
210.04904	0.7
211.09402	0.6
219.02930	1.5
219.06459	0.8
221.04539	4.5
223.06230	1.6
229.08549	1.8
233.04538	1.7
235.06073	1.5
239.05597	11.6
251.05493	3.6
263.05695	1.8
269.06720	2.7
273.07635	4.2
281.06689	1.7
285.07739	1.6
305.51251	0.7
315.05380	1.2
315.08771	15.8
327.08731	8.3
328.09021	0.7
341.09958	1.4
345.09735	6.2
354.07248	0.7
355.08347	1.0
357.09787	100.0
358.10086	8.0
369.09698	4.9
387.10855	82.9
388.11093	6.9
399.10855	4.7
417.11920	28.5
418.12515	3.6
429.12149	2.5
441.11874	1.1
459.12894	9.2
460.13425	1.8
471.13467	1.5
477.14032	18.7
478.14441	2.2
489.14111	7.6
490.14676	0.8
507.15100	3.3
579.17493	1.4
597.18219	10.8
598.18658	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.6
61.98833	19.1
69.03440	1.1
69.65205	6.8
71.01382	1.9
73.02973	1.2
81.03455	9.7
83.01368	7.0
83.05037	1.5
85.02956	2.5
89.02482	1.2
93.03444	5.2
95.01345	2.1
95.05035	5.3
97.02951	4.8
98.19862	1.2
99.04544	2.5
101.02426	1.0
105.03413	1.1
107.05046	2.0
109.02958	3.4
111.04469	2.6
113.02439	2.9
114.66505	0.9
119.05016	9.5
121.02963	3.9
123.00891	1.1
123.03718	1.7
123.04528	15.9
125.02450	13.9
135.04501	5.8
137.02444	6.1
137.06097	8.1
139.03992	10.4
141.05606	1.2
144.61731	1.1
147.04529	3.7
149.02458	1.6
149.06108	2.2
149.19890	1.0
150.03188	1.1
151.03996	4.6
153.05554	2.7
163.04001	3.9
163.07614	1.4
164.04823	1.6
165.01947	3.0
165.05507	5.6
166.02567	1.7
167.03503	31.3
177.05609	2.8
179.03500	8.7
179.07082	1.6
180.04285	1.6
181.05090	2.0
189.05568	7.6
191.03517	3.6
191.07271	1.4
193.05072	5.0
197.04556	6.7
207.06667	2.5
209.04555	31.1
210.04968	1.3
219.06535	1.4
220.11763	1.1
221.04565	6.8
223.06111	2.1
229.03947	0.9
229.08772	2.0
233.04573	2.1
235.06027	1.4
239.05649	10.8
251.05606	5.6
262.33682	1.0
263.05447	2.4
269.06512	1.8
273.07568	5.4
281.06403	1.4
285.03912	2.2
285.07568	1.8
286.03986	2.2
287.04343	1.2
315.08716	18.8
327.08728	7.6
345.09753	7.4
357.09784	100.0
358.10168	8.8
369.09799	4.7
387.10870	83.3
388.11368	6.6
399.10794	4.5
417.11942	30.5
417.16382	0.7
418.12567	2.3
429.11813	2.4
441.11734	1.2
459.13010	9.3
471.12894	1.5
477.13956	18.5
477.20227	1.9
489.14212	6.1
507.15231	4.2
579.17596	1.6
596.40210	1.5
597.17401	11.0
597.40680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.9
61.98831	37.0
65.58724	1.4
69.61118	8.9
71.01391	10.6
72.48737	1.2
72.99319	1.5
73.02946	4.4
81.58434	1.3
83.01371	6.2
85.02950	3.0
87.00880	30.1
89.02419	2.4
93.03461	3.6
96.95954	1.3
97.02950	3.6
98.05648	1.3
99.00856	2.9
99.04520	1.6
100.01660	1.8
101.02444	4.3
104.13415	1.2
110.00076	1.9
111.00877	31.8
112.98825	2.0
113.02446	3.7
121.02950	7.3
122.03728	9.4
123.00845	1.6
123.04523	3.7
125.02444	3.2
129.01917	2.8
131.03456	1.7
133.02951	2.8
134.03734	1.8
136.01688	2.0
137.02432	6.2
138.03223	1.9
149.02451	29.4
150.03223	90.3
151.00343	2.2
151.04041	8.0
153.01807	1.8
153.05571	1.5
161.02376	3.6
161.04645	1.9
161.08131	3.7
163.03999	3.9
164.04784	16.3
165.05568	91.6
166.02690	5.4
166.05923	4.3
173.00909	2.2
175.03926	1.5
176.04784	2.8
177.01871	2.3
177.05522	2.1
178.02647	1.3
178.06386	1.7
179.03474	5.4
179.07100	12.2
180.04286	7.7
181.05055	8.6
184.06157	1.5
187.07677	1.8
190.02724	1.4
191.01889	1.3
191.03514	2.3
192.04263	2.0
193.08685	2.5
194.05850	5.7
195.06635	36.2
205.04996	3.8
206.05785	2.2
209.08232	7.6
212.77304	1.2
219.02774	2.6
219.06587	2.2
221.08124	1.7
222.05235	2.1
223.06099	1.7
229.05049	2.7
229.08592	1.4
233.04524	1.6
234.05339	4.1
235.05875	1.5
249.04024	3.7
249.07692	4.5
255.06532	2.9
261.04205	2.0
261.07880	1.7
263.05582	1.9
264.06314	11.5
265.07111	6.4
271.09662	2.1
273.07654	5.9
274.58984	1.3
277.07153	1.7
279.08771	1.4
291.08743	2.1
299.60330	1.2
309.58328	1.2
312.10007	2.1
327.12262	8.9
337.09155	12.1
357.13431	3.8
375.14587	1.7
375.51370	1.3
413.12280	7.0
435.12653	2.2
461.14511	54.1
462.14877	4.9
463.15958	1.5
473.14575	2.3
487.16135	3.4
505.16986	2.5
521.16858	3.1
548.80511	1.3
579.17041	9.7
580.17468	1.8
597.18213	100.0
598.18573	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	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99311	2.9
56.35352	2.6
59.01379	26.0
61.98817	3.8
62.21908	2.7
69.52556	19.7
71.01388	10.7
73.02928	3.8
82.18112	2.6
83.01414	4.2
85.02981	3.8
87.00874	22.0
89.02462	3.5
92.04828	2.7
93.03471	4.8
97.02946	3.0
109.02934	4.0
111.00875	14.6
118.49937	2.5
121.02956	4.2
122.03753	10.0
123.00862	3.5
123.04553	4.1
125.02482	4.8
133.03009	3.3
137.02501	6.1
142.02167	3.0
146.03680	3.4
149.02412	30.8
150.03224	80.1
150.04372	5.3
151.00441	5.0
151.04051	6.9
164.04860	13.5
165.05568	100.0
166.02625	5.1
173.00969	4.8
174.01648	3.9
175.03961	3.0
176.04836	6.4
179.03505	6.0
179.07144	9.7
180.04291	9.3
181.05038	10.9
191.03581	3.7
194.05861	8.1
195.06622	51.7
205.04994	3.9
206.05846	4.0
209.08263	4.8
221.08293	6.6
247.02551	4.0
261.03986	3.2
262.04947	5.7
265.07190	6.8
273.07553	3.7
277.07092	9.7
312.10385	3.2
327.12405	26.6
337.09229	32.5
369.13614	7.2
375.14359	8.4
413.12033	4.6
435.08652	3.6
459.11346	4.8
461.14658	25.9
521.16772	4.6
533.16907	6.7
579.17200	12.4
597.18298	96.3
598.18732	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	597.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	47.9
59.06587	1.7
59.54750	1.4
61.98824	1.8
71.01377	1.7
71.33022	3.3
87.36906	1.3
89.54688	1.3
93.03461	2.4
98.19821	1.2
99.34719	1.3
108.39738	1.7
115.73300	1.4
121.02905	4.3
122.03744	5.9
125.02398	2.0
146.03746	8.9
146.04706	1.4
147.06882	1.5
149.02448	16.3
150.03221	46.8
161.06087	3.1
164.04794	10.4
165.05562	74.5
166.02596	1.8
166.05865	2.7
167.03334	1.5
174.71317	1.5
179.07140	26.7
180.04262	4.9
181.05038	2.7
195.06610	100.0
196.07021	3.4
209.04440	2.7
246.42043	1.5
248.18822	1.5
312.09985	3.1
315.08456	1.4
327.12332	16.4
375.14505	16.4
417.15411	2.2
470.73596	1.6
569.17737	1.8
597.16254	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	597.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	54.9
61.98824	1.4
71.33083	1.8
74.19980	0.9
76.50121	1.0
87.00929	1.1
91.94530	0.9
93.03468	1.3
111.00889	1.5
120.14505	1.1
121.02973	4.9
122.03769	6.0
123.04525	1.8
146.03722	8.2
149.02444	48.9
150.03239	42.3
161.06039	3.3
164.04776	15.5
165.05565	62.4
165.88702	1.1
166.05873	1.9
179.07156	18.3
180.04286	4.9
182.47206	1.0
195.06618	49.9
196.07050	1.5
277.07477	1.1
283.09631	2.7
312.10010	23.7
313.10406	1.4
325.48196	1.1
327.12360	100.0
328.12695	6.7
337.09134	2.9
375.14441	25.6
376.14801	2.6
391.48584	1.1
461.14597	3.9
468.09949	1.2
566.99481	1.1
587.49738	1.3
597.17316	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	597.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	68.1
61.98834	10.6
63.68097	3.5
69.00816	3.3
69.28448	14.0
69.28873	22.1
71.01388	22.7
72.99323	5.0
73.02945	9.3
85.02940	8.3
87.00856	20.2
89.01924	3.8
89.02412	7.3
99.00930	4.5
101.02438	18.4
111.00888	12.2
113.02457	12.0
119.03551	5.2
121.02949	4.5
122.03739	12.5
125.02445	7.0
143.03503	5.0
146.03719	4.5
149.02448	34.3
150.03230	78.1
151.03993	7.4
161.04561	5.8
163.04111	4.4
164.04787	12.6
165.05568	100.0
166.02728	9.3
171.70865	3.8
179.03601	4.7
179.07138	12.7
180.04311	9.2
181.05040	9.5
194.05898	4.6
195.06618	58.1
205.07234	4.6
209.08090	3.9
232.79349	3.7
260.97797	4.6
264.06458	5.2
265.07098	5.7
283.57642	3.6
311.53479	3.6
312.10052	9.7
327.12317	35.8
337.09412	12.7
347.17175	8.1
365.18082	14.6
375.14514	14.6
386.76605	3.7
407.19058	5.5
417.15378	5.1
427.65082	4.0
461.14560	30.8
493.22974	14.1
511.23895	27.6
521.16528	6.1
543.67902	5.1
552.64252	4.2
553.24493	7.0
597.18243	63.3
598.18555	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	597.3045
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
56.29237	0.8
57.03439	2.3
61.98828	6.2
65.21998	0.8
68.68872	0.8
69.58220	4.4
69.58643	1.7
78.91881	1.1
78.95905	62.1
88.98819	1.7
96.96968	10.2
98.97535	0.8
105.01933	0.9
111.08104	0.8
152.99586	84.7
153.99899	0.9
171.00612	1.2
183.69826	0.9
189.36031	0.9
223.00117	8.0
241.01184	23.1
259.02002	1.3
281.24857	66.2
282.25214	4.4
315.04855	14.6
333.06064	1.2
393.45224	0.8
481.30869	1.1
597.30463	100.0
598.30841	8.7
604.74603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
60.57053	0.6
61.98835	2.9
64.03104	0.6
66.97487	0.5
67.04415	0.5
70.29805	1.8
70.30217	1.3
71.01381	1.0
72.99304	0.8
83.01393	1.8
84.75365	0.6
87.40471	0.6
91.26704	0.6
98.20581	0.9
99.00882	1.7
113.99570	5.5
115.00320	0.7
117.01924	0.8
156.00572	0.9
157.37451	0.6
174.01689	100.0
175.02068	2.8
205.08531	0.6
209.80547	0.6
228.47197	0.6
242.07625	0.6
274.65482	0.6
276.00085	0.6
407.27823	1.0
479.29999	1.0
497.31238	1.6
537.30609	2.4
594.05872	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.5
61.08847	1.3
61.98810	3.1
71.55683	1.6
75.56812	0.9
113.99561	3.8
124.14647	1.1
138.92746	1.1
174.01694	100.0
175.02110	2.6
193.86455	1.1
275.44083	1.0
460.85858	1.2
537.30066	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	597.387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01369	1.4
61.98830	4.0
69.39590	0.8
69.39993	2.2
71.01373	0.9
75.00872	0.4
81.03456	11.4
83.05025	37.2
84.05328	0.6
85.02924	0.4
89.02443	0.6
100.07683	5.1
101.02412	1.0
113.02504	0.5
118.92679	0.4
119.03503	0.6
125.02367	0.5
125.07225	0.3
126.05608	0.9
127.03984	0.9
131.02507	0.3
157.13400	0.4
161.04662	0.4
167.76877	0.3
174.01714	0.7
182.15446	0.4
199.18137	7.3
224.17599	0.7
225.13994	0.6
225.16068	7.5
226.16426	0.6
243.17107	19.2
244.17371	0.8
269.14978	1.9
274.42981	0.3
290.16486	0.3
307.17578	0.4
309.21832	1.4
335.19824	0.5
353.20804	5.9
354.21194	0.6
451.32782	2.1
453.23340	1.6
469.33920	12.8
470.34326	1.3
495.32153	0.4
498.80347	0.4
579.37738	2.4
597.38678	100.0
598.38995	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	598.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53896	0.2
59.01390	0.5
61.98830	100.0
71.01384	0.4
71.56007	0.3
95.20470	0.2
105.67575	0.2
108.02188	0.2
111.29707	0.2
113.02431	0.2
115.05546	0.4
149.02449	0.6
161.06175	0.3
187.04066	0.6
203.55962	0.3
222.63225	0.2
224.20313	0.2
304.85962	0.2
349.42126	0.3
370.13858	0.4
456.02878	0.2
506.19336	0.4
536.20123	1.4
552.59210	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.1
60.74723	2.4
61.98836	15.9
78.95901	40.2
80.96329	9.6
82.95421	14.8
84.00910	100.0
84.95126	5.1
96.96954	9.0
98.97371	2.4
106.65340	2.4
107.47285	2.5
122.97689	2.7
142.01694	2.4
142.03676	2.5
152.99597	48.8
153.99934	13.3
155.00015	20.7
218.34601	3.0
225.00497	3.7
241.01212	7.1
242.01468	5.2
243.01707	7.5
253.09219	5.2
277.21744	31.0
278.22217	3.3
279.23276	11.1
280.23630	27.5
281.23941	13.9
282.24200	7.1
317.05231	5.8
318.05661	5.1
598.29730	74.1
599.29175	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	598.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73604	1.4
56.13266	1.5
58.01179	1.5
59.01363	1.6
61.98835	9.3
66.73646	1.4
78.95905	53.1
80.96334	9.9
82.95434	10.0
84.00910	54.4
84.95121	4.8
96.96950	12.6
123.91137	1.6
152.98358	3.0
152.99591	50.6
153.99936	15.3
155.00014	26.0
156.00327	2.4
165.12692	1.6
223.00108	3.4
241.01149	6.7
242.01555	6.3
243.01584	6.6
244.01891	2.5
253.09212	3.7
277.21738	28.0
279.23285	14.1
280.23648	31.2
281.23914	16.4
282.24094	8.8
315.04828	3.1
316.05103	4.7
317.05423	8.1
318.05533	4.2
598.29785	100.0
599.29498	8.1
622.37384	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	599.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.0
56.04182	1.8
59.01379	58.1
61.61257	1.7
61.98829	28.2
65.66183	1.7
69.03440	2.3
71.01379	47.8
71.55749	2.3
71.56140	2.3
72.99313	2.2
73.02934	10.7
75.00883	2.7
81.03434	3.5
83.00904	3.8
83.01382	55.7
85.02946	14.7
89.02440	11.0
95.01389	15.9
99.00902	12.2
101.02438	28.2
105.00224	1.6
111.00883	9.8
113.02444	32.6
119.03509	4.7
125.02462	23.0
127.00382	27.6
129.01938	3.9
137.02502	1.8
139.00388	18.1
143.03491	2.8
150.03194	2.2
157.01395	8.3
159.03018	3.4
161.04613	8.6
165.05534	2.4
169.01416	6.2
177.04059	2.6
187.02470	17.1
195.06523	2.5
247.04654	2.2
281.35483	2.3
315.18091	7.2
325.46613	1.9
357.19220	4.7
383.16855	1.9
403.13943	3.0
425.18164	100.0
426.18445	6.7
455.19171	42.0
456.19327	3.2
467.19296	2.3
473.20090	2.5
485.20233	13.3
503.21405	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	600.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78709	1.4
61.98829	100.0
63.04964	1.3
68.08522	1.3
71.55300	1.6
83.23178	1.4
86.91864	1.3
103.01831	1.5
138.37106	1.5
360.07822	1.6
375.10217	1.7
403.09686	5.5
409.98669	1.3
431.08722	1.6
446.11374	4.8
461.13708	4.1
505.12976	7.7
537.15381	11.1
560.35797	1.5
566.61285	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	600.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
59.67070	0.3
61.98831	100.0
65.58916	0.3
69.59336	1.9
69.98278	0.2
70.00269	0.2
77.29605	0.2
96.96009	0.8
100.51498	0.3
104.02587	0.3
121.02927	1.5
122.03338	0.4
154.60892	0.3
165.05588	0.3
184.77771	0.3
209.04616	1.2
210.04901	0.5
328.12808	0.4
464.20822	0.3
508.62772	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16010	0.3
60.13096	0.3
61.98832	100.0
71.56582	0.3
78.20963	0.3
88.56589	0.3
121.02898	0.3
137.02475	0.3
150.03253	0.4
165.05678	0.4
181.05124	0.5
194.13045	0.3
195.06664	0.4
195.72351	0.3
260.78250	0.3
532.66351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66294	0.3
58.66668	0.3
59.01382	0.5
61.98832	100.0
65.32555	0.3
69.98985	1.5
73.02485	0.3
86.14533	0.3
96.96031	0.5
116.25672	0.3
153.01982	0.4
175.44527	0.3
179.07204	0.4
210.24130	0.3
379.95557	0.3
601.26556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36084	0.8
59.01392	0.9
61.98832	100.0
71.01349	1.2
78.95858	0.8
88.78521	0.8
145.71680	0.9
211.13396	0.9
218.10118	0.9
229.79242	1.3
295.27267	1.0
529.07843	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03441	0.6
57.51865	0.3
58.00585	0.6
59.01380	14.7
61.98829	6.0
69.03472	0.5
71.01384	18.7
71.56721	0.4
72.99314	2.1
73.02955	1.7
75.00889	0.4
83.01386	1.1
85.02972	2.9
87.00878	30.9
89.02433	2.4
93.03491	0.5
95.01386	3.2
99.00877	0.6
101.02451	3.1
103.21845	0.3
111.00904	1.1
112.98820	1.0
113.02438	3.6
113.08861	0.4
115.00375	44.1
116.00699	0.8
119.03524	0.9
119.04980	0.4
121.02913	0.4
125.02358	0.4
127.00416	0.6
135.50125	0.4
137.02403	0.5
139.00389	2.4
143.03505	0.5
150.03218	0.5
161.04533	1.2
163.03984	0.6
163.06137	0.4
165.05576	0.9
175.02475	100.0
176.02820	2.6
193.05077	0.5
195.06750	0.4
256.07394	0.5
271.09760	1.5
311.74924	0.4
433.15356	0.5
461.23633	0.5
541.26471	2.2
559.27344	1.6
601.24384	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73519	0.8
59.01381	2.5
61.98826	3.1
70.16969	0.7
71.01374	1.2
73.63919	0.7
78.95898	1.2
78.97984	0.7
92.13578	0.8
93.03481	1.4
96.96001	6.3
106.31859	0.7
121.02950	2.4
122.03750	6.1
125.02504	1.1
137.02451	3.8
140.94771	0.8
149.02426	15.1
150.03229	40.9
151.03670	1.3
163.04068	0.9
164.04802	5.5
165.01917	28.9
165.05562	47.9
166.05838	1.1
167.03500	1.4
175.50749	0.9
179.03372	1.2
179.75414	0.8
180.02670	1.4
180.04280	27.0
180.05797	1.9
181.04929	2.0
195.06625	100.0
196.06985	3.6
227.03444	0.9
243.08699	10.3
258.18927	0.9
301.07254	3.3
303.89954	0.9
315.09067	1.2
316.09409	2.0
331.11880	7.6
391.13959	20.7
439.16061	42.0
440.16473	3.2
573.40967	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.6
61.98839	5.1
71.54826	1.3
73.08180	0.9
95.05040	1.4
97.06590	13.0
98.83430	0.9
123.08150	6.4
125.09725	100.0
126.10066	2.8
169.08685	3.1
170.24551	0.9
187.09755	70.9
188.10071	2.1
243.12256	2.2
261.13382	9.9
413.21848	1.1
431.22794	24.8
432.23245	2.0
450.42865	0.9
516.39746	1.4
583.31201	1.4
601.32306	69.5
602.32788	9.0
618.33942	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
58.00575	1.5
59.01380	29.0
61.98831	4.8
63.71668	0.8
64.84840	0.9
69.02065	0.9
69.03407	1.0
70.45415	2.2
71.01379	21.0
72.01700	0.9
72.99295	3.1
73.02946	8.8
83.01376	2.8
85.02960	9.7
86.00085	2.3
87.00887	10.1
87.04497	3.3
87.82580	1.0
89.02444	7.3
95.01382	1.6
97.52834	0.8
99.00890	1.1
101.02448	13.2
103.00720	0.9
103.04021	3.1
104.01261	0.8
108.65802	0.8
111.00906	1.5
113.02448	6.3
115.04005	2.9
119.03493	2.5
125.02435	1.0
127.04073	0.9
131.03500	6.2
133.86966	0.9
143.03510	7.4
145.05042	1.0
161.04546	1.1
163.06099	4.0
171.10277	1.9
205.07185	6.1
211.13457	1.7
218.51167	0.9
223.17001	1.4
247.08258	1.5
275.20148	3.9
293.21252	3.1
319.93478	0.9
455.26569	3.0
601.32288	100.0
602.32654	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	601.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03441	2.3
58.00582	2.3
59.01381	42.7
61.98834	5.1
69.03446	2.4
71.01384	51.9
71.47191	1.1
72.99311	3.3
73.02946	9.6
75.00859	0.9
83.01387	12.1
85.02945	11.8
87.00877	51.2
88.01224	0.9
89.02449	39.5
95.01395	5.2
97.02937	1.4
97.06590	1.0
99.00860	1.5
99.04562	1.0
101.02447	25.7
111.00829	1.2
113.02451	32.9
115.04003	1.4
119.03493	11.6
125.02445	3.4
125.06133	0.9
129.01961	1.6
131.03496	3.0
141.01915	2.9
143.03496	8.4
149.04552	1.9
157.20085	0.8
159.02943	1.0
161.04558	13.1
179.05615	18.1
273.22220	2.7
277.21716	100.0
278.22052	7.3
291.23294	24.2
292.23489	2.0
301.21722	2.9
303.34509	1.1
305.48831	1.0
319.22791	8.9
323.09784	14.2
331.22818	1.2
341.10870	51.1
342.11108	2.1
375.41632	0.9
558.12848	1.2
601.21222	1.3
601.32593	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	602.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25037	0.8
57.87482	0.8
60.46516	0.7
60.88111	0.8
61.98829	100.0
70.45879	2.4
114.22817	0.8
117.85037	0.8
527.10938	0.9
539.17432	3.9
604.09753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43494	0.5
51.36126	0.4
61.98832	100.0
71.11893	1.1
124.75925	0.5
138.86867	0.5
150.08209	0.5
372.70062	0.6
521.12415	1.3
539.17188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.67385	0.5
61.93151	0.5
61.98831	100.0
71.03535	1.0
110.55565	0.5
116.10979	0.5
123.88258	0.5
135.90437	0.5
141.51904	0.5
253.09315	0.5
352.61554	0.5
365.27081	1.2
366.27536	0.6
421.10837	0.6
434.11621	1.0
449.14069	1.5
453.13501	1.0
468.15854	2.9
469.16577	0.7
483.18430	1.8
539.17139	9.8
540.17883	1.2
621.50244	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	96.4
61.98827	41.0
63.49254	10.3
69.38420	100.0
71.01380	44.6
73.02946	36.5
81.81348	10.2
81.99640	12.0
83.01408	17.2
85.02960	14.5
87.00894	15.5
89.02436	29.6
90.02750	12.8
101.02487	56.6
108.46265	12.9
111.00865	16.4
113.02435	21.2
119.05075	26.0
143.03458	13.2
145.02943	35.6
161.04530	10.4
163.04065	10.8
163.06102	48.9
173.62776	10.1
174.66151	11.5
190.02693	11.4
205.07138	22.7
220.26773	10.5
241.45230	10.3
265.09363	22.9
274.17993	11.9
305.30594	12.4
307.08252	12.7
337.09579	12.6
380.22781	12.2
409.81909	11.5
516.01721	12.6
561.29340	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44015	2.1
58.76955	2.1
60.99303	10.4
70.56987	3.9
70.57310	2.7
87.00869	3.2
88.00397	14.5
88.98810	55.7
89.02446	100.0
106.23563	2.4
160.70946	2.2
214.78677	2.5
225.83690	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85473	1.5
60.99301	4.8
68.08088	1.6
70.20926	1.5
71.18606	3.7
74.29243	1.8
86.22935	1.9
87.00870	4.6
88.00407	6.0
88.04047	1.8
88.98814	26.1
89.02447	100.0
254.03023	1.6
265.09137	1.8
277.21533	3.1
393.54492	2.1
454.91382	1.8
603.20410	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03446	2.9
58.00590	1.7
59.01378	100.0
60.01725	0.6
61.98832	3.8
65.30367	0.3
69.03467	1.1
69.45740	0.3
69.70695	1.2
71.01381	59.3
72.01727	0.4
72.99308	3.3
73.02946	14.7
75.00873	1.1
81.03428	0.5
83.01386	7.1
85.02950	19.6
87.00873	3.9
89.02445	35.3
95.01386	6.5
97.02937	1.4
98.19758	0.3
99.00887	4.1
101.02444	31.9
102.02798	0.5
103.04032	0.4
111.00869	1.7
112.01647	0.7
113.02448	35.7
114.02795	0.5
115.04010	0.6
116.92844	1.0
119.03500	14.3
123.08166	0.5
124.01651	0.9
125.02444	2.9
129.01920	1.2
131.03503	3.7
135.02953	0.4
139.00342	0.4
143.02419	0.4
143.03499	7.2
149.04485	1.4
152.07104	0.3
155.03464	0.4
159.02934	1.2
161.03259	0.5
161.04555	10.5
162.04797	0.5
163.06094	0.4
179.04167	0.5
179.05615	8.4
203.05484	0.6
205.07178	0.3
297.07474	0.4
339.12137	0.4
349.82452	0.3
381.22806	1.7
399.23846	5.3
455.25504	0.3
469.24048	0.5
495.25836	0.3
507.25516	0.7
513.26733	0.4
543.28088	37.9
544.28394	4.6
548.01080	0.3
561.29138	34.6
562.29462	4.3
603.30670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	49.3
60.59802	5.7
60.60119	5.6
61.98832	100.0
68.14170	6.0
69.80722	13.2
69.81136	19.2
71.01390	26.6
72.99320	6.3
75.00885	38.2
87.00876	9.8
89.02462	10.6
101.02458	19.1
113.02461	13.5
119.03496	7.1
125.09691	6.7
136.89407	6.6
143.03493	7.7
159.45438	6.3
163.11331	7.6
187.03990	9.7
191.14421	6.8
191.83244	6.5
207.49948	6.6
209.11909	22.2
245.19069	13.9
253.09311	27.6
284.41245	6.6
289.18118	74.2
295.22711	7.6
307.19095	74.0
416.81622	7.0
603.34015	60.3
604.34906	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	603.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.9
57.03445	1.1
58.00601	0.9
59.01382	23.3
61.98835	4.1
63.70517	0.6
63.85392	0.5
71.01386	18.7
71.55502	0.7
72.99290	1.4
73.02950	6.0
75.00850	0.8
79.52853	0.6
81.03455	0.7
81.10670	0.6
83.01389	2.2
83.82227	0.6
85.02951	7.0
86.00079	0.9
87.00880	5.6
87.04521	1.5
89.02452	7.7
95.01394	1.1
97.02966	1.2
99.00838	0.9
101.02442	9.2
103.03997	0.8
113.02439	5.7
115.03985	1.7
115.05542	5.3
119.03485	2.2
125.02447	1.4
131.03502	3.7
143.03551	3.2
145.05107	0.9
161.04698	0.7
161.06023	1.3
187.04021	5.6
205.07153	2.3
223.16998	2.6
277.21701	9.2
295.22632	5.2
452.36447	0.6
457.27924	8.6
509.53525	0.7
603.33850	100.0
604.34094	13.3
620.64905	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.55750	0.6
85.40540	0.7
90.57542	0.8
99.02563	0.7
111.86691	1.0
113.07856	0.9
113.81858	0.7
148.40816	1.0
162.22031	0.9
593.41486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34555	0.5
59.01378	7.7
60.82381	0.6
61.98831	14.5
70.10892	2.3
71.01389	4.9
73.02943	1.5
83.01382	0.9
85.02931	1.7
87.00875	0.6
89.02450	2.0
91.05527	12.1
93.03454	0.7
101.02445	2.8
103.06342	0.5
113.02449	1.2
115.05538	7.7
117.07104	51.3
118.07430	1.6
119.03527	0.9
123.04565	0.8
125.02440	1.2
133.06596	9.0
134.03676	0.7
135.04526	0.8
143.03601	0.6
143.05016	2.2
145.06578	0.8
149.05969	0.7
151.08691	0.6
161.06075	100.0
162.06367	2.7
163.04012	11.6
177.05470	0.8
179.07121	0.8
187.04019	13.3
188.04301	0.9
205.05046	91.1
206.05339	3.8
219.06641	3.9
225.05602	0.8
237.07695	8.0
240.07855	1.0
255.06615	4.4
255.10219	1.6
536.87042	0.7
545.29572	0.9
561.32764	2.2
605.18787	21.1
605.34747	1.3
606.18909	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	605.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
59.01380	100.0
61.98833	38.9
69.03447	7.4
69.38682	12.5
69.39083	3.6
71.01384	60.0
73.02948	44.5
81.03414	2.4
83.01387	74.9
83.01888	3.9
85.02940	8.9
87.00871	4.1
88.98812	2.0
89.02444	17.3
95.01370	9.6
97.02924	2.3
99.00862	2.4
99.04518	2.4
101.02448	42.0
109.53725	1.9
113.02449	39.2
118.98942	1.8
119.03487	5.7
125.02438	9.1
127.00386	19.3
131.03502	4.4
131.52113	2.0
139.00360	5.4
143.03491	3.4
148.42966	1.6
149.04533	3.1
151.00343	3.4
157.01395	12.2
161.04567	9.4
163.03969	3.4
166.19501	1.8
179.05595	2.6
212.76645	2.3
221.13455	1.9
263.07104	3.6
281.08096	5.3
293.08331	3.9
297.07663	2.7
309.07742	21.1
309.11087	2.4
323.09225	3.9
324.09933	16.4
327.12308	6.0
339.12323	56.6
340.12686	6.0
375.52231	2.1
399.23767	2.6
417.24823	3.7
462.57239	2.5
467.13452	4.1
473.63599	2.0
497.14453	2.3
506.52686	1.9
545.22162	2.3
545.29578	10.5
563.30438	5.7
576.72418	2.0
605.28278	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	605.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54633	1.2
55.01871	2.5
57.03445	2.9
58.00596	1.7
59.01378	100.0
60.01702	1.4
61.95541	1.7
61.98834	31.9
65.60170	1.6
69.03434	5.1
71.01004	3.2
71.01379	52.8
71.10232	2.8
72.99319	3.0
73.02948	48.7
75.00860	1.6
83.01390	73.3
85.02957	8.6
87.00837	3.3
89.02453	16.8
95.01378	7.3
101.02451	40.4
103.04012	2.1
113.02444	38.1
114.02750	2.2
116.92910	1.5
119.03535	7.2
121.02931	1.7
125.02427	5.7
127.00385	14.7
127.20402	1.5
131.03505	4.6
139.00337	5.2
143.03497	7.0
149.04564	2.1
151.00325	5.3
151.03929	2.2
157.01434	8.2
161.04546	7.6
175.02451	1.7
179.05563	2.1
193.05016	2.2
259.09781	1.8
263.07068	2.6
281.08109	5.1
297.07587	1.7
309.07693	21.7
323.09058	4.6
324.10144	13.7
327.12347	5.1
339.12335	55.0
340.12665	2.3
357.13870	1.7
427.19031	1.6
459.88275	1.5
467.13486	3.1
497.14160	1.7
523.00336	1.5
545.28998	5.3
563.29706	2.2
588.63159	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2407
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
51.00535	0.8
61.98823	2.5
65.85622	1.1
71.55687	1.3
72.59377	0.9
73.42422	0.8
74.43299	1.0
78.95885	1.3
126.18420	0.9
166.19455	0.8
194.72485	0.9
196.97801	0.9
209.25664	0.9
259.45963	0.9
277.21768	1.1
330.32947	0.9
429.17230	1.0
430.18488	1.0
457.20297	2.0
459.18283	3.0
470.21176	0.9
471.17859	1.2
473.13809	0.9
473.19333	4.2
474.19611	1.2
485.24329	1.6
486.20441	4.7
487.21765	1.2
499.17731	2.5
501.22797	3.3
511.21277	2.9
513.19385	1.6
514.20111	9.7
515.20135	1.4
528.21118	1.1
529.22430	100.0
530.22791	14.3
532.20972	2.0
533.21991	2.2
573.21411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	68.1
60.99296	10.1
61.98829	13.3
71.55561	5.3
88.00402	16.9
88.98806	79.3
89.02449	100.0
123.04531	43.9
125.02483	6.6
137.82811	4.8
170.84509	5.0
290.18701	4.5
375.34183	5.3
554.46655	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65632	1.0
58.80597	1.1
60.21803	1.3
60.79114	1.1
60.99306	9.4
61.98835	2.3
69.23884	10.8
74.81261	1.4
78.95904	1.5
80.96513	1.6
87.00876	3.0
88.00404	14.0
88.04053	3.0
88.98814	49.1
89.02447	100.0
124.07010	1.4
279.23190	1.6
300.85635	1.2
387.49011	1.5
413.34528	1.4
605.30127	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	6.6
59.01381	100.0
61.41485	3.3
61.98832	80.8
69.73963	16.5
71.01385	58.7
72.99323	7.0
73.02955	21.8
75.00873	8.0
80.24507	3.0
83.01392	10.3
85.02962	22.7
87.00886	15.3
87.04528	5.5
88.98806	2.9
89.02443	33.1
91.08956	2.9
95.01417	6.2
98.02515	5.2
99.00855	8.1
101.02450	53.0
103.03993	14.1
112.98774	3.2
113.02445	27.5
113.89483	3.2
115.00409	4.1
115.03958	7.3
119.03521	20.2
125.02438	7.3
125.99606	5.7
131.03494	11.3
137.55128	3.1
139.00385	3.7
143.03522	18.7
145.05075	6.3
161.04558	7.0
163.06126	60.1
167.03500	3.7
169.01413	8.0
179.05612	3.9
190.78955	2.7
199.02600	3.1
205.07188	38.6
211.02240	3.7
247.08191	18.5
273.02563	17.1
285.04126	3.3
400.95740	4.2
409.35641	3.1
545.29663	46.5
563.30402	6.0
605.33112	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
57.03448	4.2
58.00584	1.6
59.01378	100.0
59.73330	0.4
60.01714	0.8
61.98828	16.1
67.01904	0.4
68.99830	0.6
69.03457	2.4
71.01379	60.9
71.56735	0.8
72.01724	0.8
72.99305	3.2
73.02946	17.5
75.00868	1.8
81.03461	1.5
83.01382	10.4
83.05040	0.4
84.02155	0.4
85.02949	32.4
85.63331	0.4
86.00084	0.9
86.03332	0.4
87.00868	7.9
87.01366	0.5
87.04512	9.1
88.98812	0.7
89.02441	14.8
95.01390	5.4
95.05090	0.3
97.02947	3.3
99.00883	9.7
99.04524	1.2
101.02442	33.3
102.02780	0.7
103.03996	2.2
109.02957	2.1
111.00893	2.9
111.04579	0.5
112.01672	3.4
113.02446	28.3
115.04018	1.8
116.92854	0.6
119.03497	6.1
123.04502	0.7
124.01650	2.6
125.02447	5.7
127.00359	0.6
127.04005	5.4
129.01936	1.0
131.03531	1.9
137.02473	1.4
139.00305	0.7
141.01962	0.6
143.03496	9.7
144.03830	0.4
145.05069	1.1
155.03491	0.7
159.02977	3.5
161.04552	18.3
162.04869	0.4
163.06119	2.8
167.03484	0.5
169.01382	0.4
175.02542	0.7
177.02026	0.4
179.05602	1.5
179.14317	0.5
185.04578	1.1
185.15483	0.4
193.04980	0.7
205.03494	0.6
205.07184	1.0
229.07076	0.6
231.69193	0.4
234.37056	0.4
255.19649	8.5
259.08163	0.6
273.02499	1.1
285.03925	0.7
297.20721	0.6
311.07632	0.5
333.20670	0.6
335.22287	0.5
339.12494	1.0
351.21725	11.4
352.21939	0.9
360.20160	0.4
363.21710	3.8
399.23843	14.2
400.24200	1.1
409.84250	0.4
417.24911	42.1
418.25323	3.5
441.24811	0.7
459.26120	2.2
459.31616	0.4
545.29651	38.5
546.29919	4.5
563.30682	89.7
563.96521	0.5
564.30963	10.4
586.54236	0.5
605.31854	2.2
613.90509	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58749	0.5
55.50305	0.4
56.06640	0.4
59.01379	64.7
60.01705	0.9
61.35603	0.4
64.94276	0.5
71.01417	0.5
79.07723	0.5
98.20648	1.2
122.98551	0.4
125.37220	0.4
128.03442	0.4
229.52800	0.5
232.32420	0.5
233.22853	0.5
255.23318	0.9
275.19876	0.5
277.21710	100.0
278.22046	6.8
298.30914	0.5
357.57834	0.5
439.27286	0.6
590.06616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.9
71.55347	1.9
78.95918	1.7
91.03997	1.8
105.03452	10.9
122.02368	2.0
133.02953	32.9
134.03815	9.7
135.04521	4.9
137.02437	3.7
148.05334	1.9
155.37387	1.7
160.01675	20.0
161.02455	17.5
161.06113	3.0
175.03996	59.1
176.04237	1.9
177.01855	3.2
178.02658	3.3
193.05037	6.1
199.13313	2.7
284.81631	2.0
344.56976	1.8
355.32117	6.2
359.22156	2.7
401.27219	1.9
403.69864	1.8
415.28250	2.5
429.30161	3.2
445.36578	2.1
499.34232	7.0
513.35944	16.7
514.36371	2.8
531.36884	36.1
532.37183	4.8
590.38062	2.9
605.40558	100.0
606.40875	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	606.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52687	5.4
58.02954	6.0
59.01370	8.7
60.99318	7.3
61.98831	100.0
69.58196	9.9
69.58614	23.5
70.02988	6.8
71.01404	6.7
72.22152	5.0
72.99306	7.6
75.00882	9.3
84.48270	4.7
88.98804	35.8
96.96013	7.8
97.17139	6.5
119.05019	8.7
147.04512	13.7
164.07144	48.5
174.01683	4.9
196.06943	5.5
206.08249	68.4
282.23065	5.1
352.04410	5.5
471.09485	26.6
606.16040	6.9
607.13788	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	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98830	100.0
69.29467	0.6
69.29887	1.8
101.02457	0.3
113.02470	0.3
123.34186	0.3
482.10321	0.3
572.91699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04597	0.5
59.01377	2.6
61.98830	100.0
63.75184	0.5
64.84478	0.5
70.61388	0.6
79.61636	0.7
113.02442	0.9
115.05571	0.7
140.29143	0.6
145.18080	0.5
161.06059	0.6
163.04030	0.8
187.04071	1.1
307.58548	0.8
348.52774	0.6
532.95099	0.7
557.16162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73000	0.2
58.21488	0.2
61.98830	100.0
62.98528	0.3
70.87221	0.5
74.17725	0.2
78.18008	0.2
100.86874	0.2
121.32364	0.2
231.90042	0.2
234.82433	0.2
281.65253	0.2
526.31897	0.2
560.70868	0.2
577.03717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98830	100.0
62.98538	0.4
71.01357	0.4
72.90888	0.3
84.02971	0.3
98.19839	0.7
139.99290	0.3
175.03960	0.4
194.18303	0.4
467.26755	0.3
607.24377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.3
61.98832	100.0
67.16598	0.6
71.55294	0.7
73.92175	0.5
90.98905	0.5
117.19717	0.6
156.29810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.146
Annotation	Vitexin 2''-O-(E)-ferulate
Peak:m/z	Relative Intensity
54.14512	0.8
54.97862	0.8
57.03452	1.0
59.01385	8.6
61.71584	0.9
61.98831	48.3
65.00336	1.0
69.38980	0.8
71.01376	7.1
71.13840	0.9
73.02946	2.2
77.03965	3.4
79.01894	1.9
83.01383	1.7
85.02956	2.2
87.00881	2.2
88.98786	2.8
89.02432	2.6
93.03462	3.5
96.96045	1.0
97.34603	1.0
99.00832	1.0
101.02448	3.0
101.03973	5.5
105.03473	1.3
113.02444	2.4
117.03468	19.1
119.05014	2.0
121.02950	3.2
123.04516	1.0
125.02455	1.2
126.90282	1.0
134.03748	17.3
135.04533	3.2
137.02435	1.2
143.03542	1.0
145.02959	9.3
145.05098	1.2
149.02458	3.7
149.06087	1.6
159.04494	2.3
160.01636	1.4
161.02461	6.0
161.04576	1.7
162.03250	2.0
163.00401	1.8
163.04056	5.7
165.01913	1.3
175.00378	1.0
175.03969	2.5
177.05559	0.9
179.03470	1.9
180.04308	4.2
182.24698	1.0
185.02481	1.6
187.03938	1.1
191.03519	2.6
191.07147	1.3
193.01372	1.2
193.05042	5.5
195.05042	0.9
195.06624	5.3
196.79272	0.8
197.05975	1.6
203.03490	1.7
211.07838	1.1
215.07225	1.0
216.60605	0.8
237.05415	1.0
239.07208	2.0
268.03848	4.3
269.04520	5.7
281.04471	9.6
282.05228	3.6
283.06125	48.1
284.06500	2.6
293.04498	4.4
295.05872	4.6
311.05612	100.0
312.05991	7.2
323.05505	11.9
324.39801	0.9
325.07089	2.9
335.06195	1.0
341.06638	14.9
353.06705	1.5
372.89764	0.9
395.86771	1.2
413.08777	54.4
414.09003	3.7
431.09763	16.4
432.09909	1.6
482.28220	1.0
546.30054	2.3
547.30292	2.4
589.23438	1.3
607.14642	39.9
607.23267	1.8
607.34473	1.2
608.14838	3.8
608.33105	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	607.1671
Annotation	Diosmin 
Peak:m/z	Relative Intensity
52.43662	0.6
52.90052	0.5
55.12160	0.5
57.89779	0.5
59.01387	2.4
60.99311	1.0
61.98828	7.4
72.38928	0.7
73.02943	0.7
77.13076	0.5
83.01402	0.5
85.02988	0.7
87.00864	1.1
88.98808	6.2
89.02441	1.4
101.02454	0.7
107.01393	1.3
113.02430	0.8
115.00359	0.9
129.01889	0.7
132.02226	0.6
145.03040	0.6
149.02464	0.8
151.00377	2.3
162.03192	0.7
165.05545	0.9
177.05618	1.2
223.10028	0.5
226.06223	0.7
227.03557	1.2
229.05011	0.6
255.02988	37.2
256.03610	5.1
268.03644	0.8
269.04578	4.8
283.02493	16.2
284.03259	67.8
285.03949	15.6
286.04376	0.8
297.04028	12.2
298.04794	8.5
299.05609	100.0
300.05969	6.2
327.12634	0.6
341.06595	0.8
341.13611	0.6
382.09750	0.8
428.07834	0.7
443.10236	1.3
447.09033	1.2
487.12299	0.6
528.37469	0.6
607.16675	82.6
608.17108	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	607.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
57.03442	0.8
58.00599	0.8
59.01379	11.0
61.98832	5.4
69.03441	0.4
70.86833	0.9
71.01385	10.9
72.99308	0.8
73.02963	2.7
82.96447	0.3
83.01394	1.4
85.02953	4.8
87.00874	2.3
87.04517	0.6
89.02442	1.9
95.01392	0.6
99.00863	0.9
101.02443	4.4
111.00890	0.9
112.01658	0.5
113.02455	2.1
115.04010	0.5
119.03493	0.4
125.02473	0.9
131.03442	0.6
131.07170	0.4
143.03548	0.6
185.98117	0.4
203.78310	0.4
217.61241	0.4
254.80467	0.4
281.24878	1.4
291.56046	0.4
294.48834	0.4
299.25909	18.9
300.26157	1.0
341.27167	0.6
374.45953	0.4
380.42209	0.5
411.86642	0.4
443.30173	3.6
461.31213	29.8
462.31558	2.1
474.56445	0.4
597.17432	0.4
607.36981	100.0
608.27637	0.7
608.37372	11.1
608.47028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01736	0.2
57.69135	0.2
59.01379	0.7
61.98832	100.0
71.01373	0.4
82.95425	0.4
88.98831	0.2
89.02447	0.2
98.19872	0.5
100.07819	0.2
101.02499	0.3
111.96442	0.2
196.12973	0.2
229.61003	0.2
255.03070	0.3
284.03339	0.5
285.04144	0.6
323.95099	0.3
411.10849	0.2
531.04663	0.2
540.85925	0.2
609.13611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14959	0.2
56.42812	0.2
61.98830	100.0
69.29781	2.3
69.30119	0.3
80.24535	0.3
145.09300	0.2
234.89543	0.2
340.43954	0.2
391.96979	0.3
523.41437	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
59.82928	0.1
61.98830	100.0
62.98531	0.2
69.21319	1.5
71.01384	0.7
73.02953	0.2
74.02473	1.0
85.02975	0.4
87.00887	0.2
88.98833	0.2
101.02462	0.6
105.56689	0.2
117.03481	0.3
134.03723	0.4
243.10408	0.3
255.03065	0.2
270.19394	0.2
283.05966	0.2
284.06570	0.4
285.04279	0.2
311.05594	0.7
312.05899	0.9
414.09216	0.5
501.86380	0.1
608.15082	0.7
608.32770	2.3
609.14630	0.5
609.31732	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
61.98831	100.0
63.88166	0.3
69.22083	0.8
69.22494	2.4
71.01373	2.0
73.02969	0.9
83.93143	0.3
85.02961	0.7
89.02465	0.9
101.02450	1.0
103.03999	0.5
111.40168	0.3
119.03511	0.5
161.00543	0.3
253.01492	1.4
254.01906	2.1
255.02759	1.6
256.03693	0.6
268.03897	1.1
269.04483	4.6
270.04919	3.7
271.06107	3.7
271.08447	0.4
283.05978	0.4
284.06781	2.0
285.04303	0.6
285.07068	1.8
286.08435	2.6
299.09204	3.7
300.02594	0.4
300.09515	3.7
301.10831	3.6
447.13156	0.4
462.15283	0.6
463.16080	0.6
608.20300	3.0
609.22003	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	608.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98832	100.0
63.99262	0.6
67.59933	0.2
70.88579	0.4
71.01391	0.2
75.00892	0.2
85.02974	0.3
94.96748	0.2
95.17442	0.2
101.02462	0.4
113.02467	0.2
126.81863	0.2
263.69699	0.2
339.10193	0.2
574.16803	0.2
609.38904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
61.98832	100.0
62.23182	0.8
71.26558	1.2
71.26885	0.8
80.65256	0.7
85.34700	0.8
95.30269	0.8
220.45313	0.8
236.38391	0.9
278.21997	1.2
279.22473	1.0
289.94839	0.9
361.35156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.54396	3.1
70.07314	10.6
78.54641	2.4
78.95921	6.1
91.90255	2.9
95.32279	2.8
102.75380	3.0
117.17395	2.4
125.02483	4.3
152.99660	3.3
164.53387	3.6
225.01825	2.5
236.21744	3.0
608.29950	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	608.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15303	0.4
60.99308	15.1
61.98833	2.5
71.06362	0.6
71.55487	1.0
78.95902	5.7
81.07752	0.5
87.00877	0.7
88.00392	2.8
88.98805	100.0
89.02449	11.4
89.99171	0.8
96.96967	1.0
104.11033	0.5
125.00130	0.7
147.42580	0.5
152.99603	0.9
185.19962	0.5
279.23245	2.9
346.05563	1.9
433.23761	1.6
504.31409	1.1
609.15021	0.6
612.81006	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99833	0.6
60.99311	15.6
61.98841	2.8
71.55801	0.7
75.18855	0.6
78.95910	2.5
87.00893	0.9
88.00408	2.2
88.98806	100.0
89.02441	14.0
96.14220	0.6
99.37967	0.5
135.49551	0.5
152.99632	1.0
190.54929	0.6
279.23199	3.9
280.23761	0.8
504.31024	1.0
527.25476	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.0
61.98813	2.5
65.38960	0.9
70.61341	0.8
71.01385	13.0
71.32267	1.7
72.99287	1.9
73.02946	1.4
85.02948	1.2
87.00881	34.3
115.00381	43.6
122.35678	0.9
127.00352	2.3
135.02977	1.0
175.02478	100.0
176.02841	1.5
205.17665	0.9
255.02940	3.3
271.02350	1.1
283.02518	4.8
283.05548	1.2
285.03918	4.7
298.04544	1.0
300.02661	1.2
311.05621	3.1
328.03705	0.9
369.05994	2.8
399.07373	1.5
447.09415	2.8
473.10620	1.2
489.10422	1.9
609.14478	11.7
610.14978	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50196	0.8
50.84294	1.0
56.66525	0.8
58.32174	1.0
58.38367	0.9
69.09193	0.9
83.01363	1.1
88.40574	0.9
109.02950	2.4
120.46658	0.9
123.04541	1.4
125.30296	0.9
127.97430	0.9
131.27682	1.0
133.02959	13.5
134.03694	1.0
135.04503	1.2
149.02438	1.2
149.06096	1.6
152.09431	1.0
159.04446	1.2
161.02487	1.0
163.04021	2.0
175.04010	3.3
177.01987	2.6
177.05470	1.4
179.03549	1.4
181.44633	1.0
181.74501	0.9
189.01956	1.1
191.03320	1.3
199.03918	1.0
201.01985	2.0
203.03462	1.6
205.01326	1.0
213.05565	1.8
225.05537	1.0
229.05002	1.0
233.04437	1.2
255.02933	3.3
271.02606	1.6
283.02472	3.9
283.06070	2.7
285.04022	4.0
295.06107	1.1
297.04062	4.8
298.04852	11.4
299.05508	5.1
309.04041	1.6
311.05545	9.6
311.43607	0.9
312.06400	11.7
313.07159	8.9
314.07513	1.2
323.05508	2.5
324.06015	1.0
325.07126	2.3
327.05164	7.4
339.05072	15.3
341.06705	6.7
342.07199	1.4
344.05225	1.7
353.06604	3.7
357.05911	2.5
365.74716	1.2
369.06128	50.8
370.06564	2.6
381.06171	5.5
395.07758	1.2
399.07260	34.5
400.07440	2.3
411.07098	5.9
413.08655	1.2
429.08279	7.6
441.08340	2.2
447.09161	1.8
471.09232	3.0
489.10428	38.7
490.10721	3.1
501.10519	1.3
517.54376	0.9
519.11401	12.5
520.11688	1.9
591.13129	2.2
609.14594	100.0
610.14703	9.8
621.37085	1.0
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
54.64489	0.8
65.00317	1.6
69.58937	5.0
95.01376	1.1
98.20647	1.0
110.00101	9.6
111.00885	2.1
123.00900	1.1
125.99619	0.9
136.98811	3.2
137.99620	6.3
139.00362	10.6
151.00322	1.2
159.32294	0.7
164.98282	1.2
165.99068	19.1
166.99872	9.0
178.99806	2.2
193.98541	3.3
198.03174	1.3
199.03917	1.2
211.04034	1.1
226.02754	1.3
227.03474	4.1
228.04150	1.3
229.05057	1.2
231.85939	0.8
243.02980	30.5
244.03595	1.6
254.02173	2.9
255.02982	19.5
255.05702	0.9
256.03568	2.3
263.80609	0.8
271.02472	45.4
272.03198	12.7
273.03683	1.2
283.02496	11.7
284.03140	1.1
285.04001	2.4
287.02039	1.0
297.56143	0.9
299.05188	1.1
300.02750	63.4
301.03467	19.3
302.03723	0.9
304.02481	1.7
327.05063	1.4
359.76971	1.0
445.07770	1.5
446.08243	1.1
609.14587	100.0
610.14868	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	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98853	7.3
69.73505	9.4
71.01366	2.0
83.01382	8.4
85.02956	1.8
93.03453	3.3
95.01401	4.9
97.02974	1.6
98.19930	2.7
101.02470	1.6
107.01385	3.9
108.02190	17.7
109.02995	1.9
111.00880	7.1
113.02456	2.9
116.02689	2.1
117.03472	19.5
119.01364	1.7
119.05015	4.1
121.02962	2.9
123.00916	9.9
123.04536	4.4
124.01667	3.5
125.02422	3.5
130.04240	2.7
131.04959	1.7
132.02196	2.4
133.02956	5.2
135.00946	7.5
135.04512	2.5
137.02443	2.8
139.00386	8.9
141.01927	4.7
143.05032	4.5
145.02965	13.1
147.04552	1.9
148.05286	3.7
151.00346	7.2
152.01120	2.7
155.05029	2.2
159.04503	7.0
161.06061	3.0
163.00343	17.2
167.04971	2.0
171.04468	3.2
173.02490	3.5
175.03958	2.4
176.04745	9.0
178.99850	5.9
180.00609	3.7
181.01443	3.7
183.04486	3.0
185.06035	6.3
186.03262	2.0
187.03996	11.9
188.04710	2.1
189.05669	7.3
190.02711	6.4
191.03494	4.4
199.03969	3.2
200.04767	6.2
201.05534	3.0
203.03481	4.5
211.03989	5.8
213.05550	5.1
215.03535	7.9
216.04204	2.3
227.03523	10.7
228.04189	7.2
229.05051	8.6
232.03749	21.9
233.04521	12.2
239.03520	7.0
243.02959	3.7
255.02954	13.0
256.03760	16.4
257.04544	30.0
258.01846	2.4
258.04715	1.6
259.02463	2.6
271.02438	6.9
283.02603	9.2
285.04028	11.6
297.06207	3.6
300.02744	21.9
301.03519	11.9
325.05753	2.4
339.08740	3.1
342.11139	2.1
357.13382	13.3
358.13910	2.8
369.13409	18.0
489.12305	4.0
499.14639	8.7
500.81540	2.1
541.15717	31.7
542.15674	1.9
565.15448	3.4
567.13464	7.7
591.13605	2.3
609.14600	74.1
610.14838	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	609.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29527	0.5
51.78902	0.5
53.76769	0.5
73.34778	0.5
79.22668	0.5
90.10088	0.5
96.44157	0.5
107.01389	1.3
108.02170	1.1
135.00832	0.8
135.85379	0.6
148.01700	1.5
149.93979	0.5
151.00352	2.6
163.00357	0.8
178.99902	3.3
211.03984	0.8
226.02745	1.6
227.03476	3.1
243.02966	9.6
244.03627	0.7
254.02174	2.5
255.02980	25.3
256.03339	1.2
271.02466	54.2
272.02954	5.0
284.02979	0.8
299.01947	1.5
300.02753	100.0
301.03271	10.0
476.49969	0.6
609.14587	70.0
610.14880	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
63.02386	0.6
65.00333	0.8
75.44314	0.2
80.66706	0.2
83.01377	0.5
91.01884	0.4
93.03451	1.9
94.71459	0.2
98.20641	0.7
105.82246	0.2
107.01402	2.6
109.02934	0.6
117.03458	0.6
119.04943	0.3
131.05014	0.4
132.02171	0.6
135.00926	1.6
137.02396	0.3
143.05009	0.4
145.02943	0.4
151.00389	2.8
153.01932	0.4
157.06552	0.7
158.03679	0.4
159.04446	1.2
163.00369	2.3
164.01047	0.3
165.01962	0.4
167.05013	0.5
169.01474	0.3
169.06558	0.8
171.04517	1.3
171.57661	0.3
173.02394	0.3
173.06021	0.3
174.03226	0.2
178.99867	0.4
182.03770	0.3
183.04509	1.0
185.02449	0.3
185.06104	2.7
187.04022	2.8
189.05576	0.9
195.04506	0.7
197.06018	1.1
199.02446	0.3
199.03917	1.2
201.05598	1.0
205.70618	0.3
211.03998	2.7
213.05562	2.2
214.02608	0.3
223.03976	0.3
227.03485	31.8
228.03784	1.2
229.05045	11.6
229.52136	0.3
230.05338	0.3
239.03435	1.7
240.04263	0.9
241.04980	1.7
243.02922	0.4
255.02974	46.2
256.03561	5.4
257.04526	7.5
257.07019	0.2
258.04944	0.6
267.02914	0.6
283.02579	0.6
284.03250	43.8
285.04025	100.0
286.04379	4.8
299.31006	0.3
313.39377	0.3
327.05164	0.9
367.33609	0.3
429.08130	0.3
447.09454	0.7
609.14575	57.4
610.14868	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	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51963	0.5
59.01390	0.6
60.47647	0.5
61.98807	0.5
69.72749	1.6
69.73151	1.0
83.01415	0.6
87.00880	0.6
93.03485	1.2
98.19939	0.9
107.01400	1.4
115.00380	0.6
117.03484	1.2
133.02946	0.6
139.00357	0.6
145.02994	1.1
149.02487	0.5
151.00351	3.0
154.04324	0.5
158.50862	0.6
159.04550	0.8
165.99039	0.6
169.06662	0.5
171.04556	0.6
175.02521	0.6
180.14787	0.5
182.03664	0.6
183.04532	3.6
185.06059	0.6
187.04031	1.0
199.03995	0.6
211.04018	3.2
213.05644	0.9
215.03300	0.6
227.03499	8.4
228.03900	0.6
241.05249	0.8
243.03023	1.0
255.02982	54.5
256.03458	4.6
257.04440	1.2
269.04440	0.9
271.02533	3.7
271.05283	0.6
272.03259	1.0
281.04443	0.5
283.02484	100.0
284.03119	20.3
285.04041	87.3
286.04419	5.6
297.04062	1.6
298.04865	1.4
299.05481	0.9
300.02853	4.2
307.06116	0.6
309.04181	0.5
311.05521	0.8
326.04388	0.8
327.05103	5.6
339.05161	0.6
357.06006	0.9
369.06235	2.4
399.07144	1.7
405.32593	0.5
446.08536	18.3
447.09290	60.5
448.09570	4.9
483.58301	0.5
489.10461	8.1
490.11014	0.8
519.12012	0.8
609.14575	56.6
610.14838	7.2
611.95990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19672	0.4
56.60141	0.5
59.40048	0.4
63.02420	0.5
65.00334	1.1
83.01373	0.5
94.64088	0.4
98.19878	1.2
107.01385	2.4
108.02175	1.2
109.00713	0.5
109.02945	1.6
121.02971	2.1
135.00912	0.9
148.01628	1.1
149.02483	0.4
151.00385	12.0
159.04391	0.6
163.00365	2.0
163.03938	0.5
164.01093	0.7
178.99876	6.7
183.04514	0.5
199.03915	0.7
203.03546	0.6
211.03970	1.1
215.03450	0.8
216.04263	0.9
226.02699	1.9
227.03514	3.2
229.05066	1.0
243.00720	0.8
243.02994	10.1
243.05319	0.9
244.03519	0.7
245.04460	1.2
254.02153	1.6
255.02977	26.7
256.03406	1.3
266.19296	0.5
271.02478	53.4
272.02933	4.8
273.04022	1.5
283.02460	1.3
285.03970	0.5
299.01950	0.8
300.02750	100.0
301.03473	39.8
302.03931	2.0
348.62378	0.5
478.70926	0.5
555.98273	0.6
609.14612	72.1
610.14856	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17397	1.2
58.09587	1.2
58.74877	1.1
59.01377	6.2
60.99304	18.3
61.98832	42.5
70.18958	4.5
71.01389	5.5
73.02949	2.0
85.02962	3.3
88.98811	100.0
95.70889	1.2
97.87783	1.3
98.20583	1.3
101.02430	3.6
113.02438	2.7
139.15680	1.3
151.51553	1.2
157.39394	1.4
161.04626	1.4
165.36757	1.2
213.05531	1.4
241.05095	6.4
255.02927	3.0
256.07477	8.1
256.31009	1.4
270.73782	1.2
271.09723	17.0
285.04089	2.8
300.02829	1.5
360.99106	1.7
401.29395	1.3
463.32690	8.8
475.16003	2.3
595.09155	1.2
609.14941	3.3
609.37555	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	609.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.8
61.98830	23.4
71.01382	2.8
71.11476	0.9
73.02950	0.8
82.00262	0.4
83.01381	0.9
85.02950	1.7
87.00861	0.7
89.02471	0.6
93.03461	0.6
95.01367	1.0
96.96023	0.5
101.02457	0.9
107.01370	0.6
109.03011	0.6
111.00839	0.4
113.02462	1.4
113.23160	0.4
115.00413	0.6
117.03467	21.8
119.05022	9.4
121.02961	1.1
123.00883	10.4
124.01668	7.1
125.02467	0.6
133.02948	0.8
138.03220	4.9
139.04013	5.6
145.02950	100.0
146.03284	3.6
151.00388	0.8
151.03867	0.4
160.01704	0.7
161.04620	0.5
161.06067	0.9
163.03995	7.4
165.01895	0.9
165.05598	0.5
175.02444	0.9
175.03944	0.9
177.05568	0.5
181.05022	0.4
187.04105	0.6
188.07123	0.7
195.06505	0.5
206.08217	0.7
207.60950	0.4
223.06166	0.5
225.07707	0.6
227.03471	0.5
241.05122	0.5
255.02995	5.4
268.78052	0.4
271.02579	0.9
283.02475	7.5
284.03073	2.3
285.04074	2.5
297.04086	1.0
298.04855	2.3
299.05609	0.9
300.02783	1.3
301.03442	0.8
307.08243	8.2
308.08685	0.5
309.03992	1.0
325.03171	0.4
327.05081	2.8
330.48901	0.5
341.06577	0.7
369.06183	1.9
393.95135	0.5
405.53915	0.5
415.10501	0.5
429.08289	1.7
447.13013	80.4
448.13315	6.9
489.10120	2.5
519.11426	0.8
609.14557	15.2
610.14648	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	609.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.7
57.03452	4.2
59.01379	31.9
61.98832	16.2
69.03456	3.1
71.01382	75.2
72.99316	2.2
73.02946	24.6
75.00875	2.9
78.66073	1.4
81.03446	1.5
83.01392	12.9
83.05069	1.5
85.02949	38.3
87.00878	3.0
88.98790	2.0
89.02480	3.4
93.03466	3.2
95.01377	10.6
96.11426	1.5
97.02954	4.3
99.00901	10.1
101.02436	43.8
104.97840	1.7
107.01369	3.9
108.02192	21.1
109.02956	45.8
110.03328	2.0
112.01686	2.7
113.02457	34.4
123.00883	4.5
125.02466	3.5
134.61993	1.6
135.04530	1.8
137.02544	2.1
137.72562	1.6
139.06613	1.5
140.51750	1.6
143.03484	7.4
145.02914	2.9
151.00360	7.0
159.02977	8.5
159.04384	2.3
161.04550	66.3
169.06639	1.8
178.99791	1.8
185.06033	2.0
202.91933	1.5
203.07147	2.7
205.05089	2.8
211.04044	3.1
227.03496	22.1
228.03958	1.8
229.05077	6.8
241.05078	1.6
243.02939	1.7
244.87448	1.6
255.02977	37.9
256.03510	2.3
257.04358	4.0
267.02887	1.9
269.10312	50.8
270.10516	2.6
271.02576	4.6
271.08215	40.7
271.10962	3.2
284.03265	42.3
285.04025	100.0
286.04410	6.7
300.02795	6.2
301.03549	13.3
315.05075	2.7
337.09277	66.1
338.09671	2.6
339.07169	66.8
340.07422	3.6
345.51617	1.6
399.69110	1.7
403.19839	2.6
403.42841	1.5
447.09280	34.7
448.09271	2.6
609.14435	31.0
610.14764	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	609.1826
Annotation	hesperidin
Peak:m/z	Relative Intensity
59.01382	7.1
61.98837	15.9
63.02395	4.0
65.00323	13.4
71.01389	3.9
83.01404	6.7
85.02956	1.9
89.02479	1.8
93.03423	1.5
101.02451	2.1
107.01392	25.2
108.02203	6.4
110.77422	1.0
113.02467	2.1
123.04581	2.4
125.02441	5.3
134.03749	29.5
135.00891	1.7
136.01654	3.1
149.06090	18.5
151.00375	96.3
152.00711	1.8
158.03839	1.2
160.01665	2.0
161.02417	1.1
164.01167	9.3
165.01968	5.1
169.01501	1.6
174.03239	2.0
175.02634	1.2
175.03987	5.6
175.49371	1.0
177.01875	6.3
187.04053	1.4
193.01369	2.7
196.00154	3.7
199.04041	2.8
201.01926	2.3
202.02873	1.0
212.04881	1.1
215.07153	1.1
227.03500	14.0
229.05083	2.6
239.03435	1.7
241.05174	1.5
253.05151	2.5
255.02974	24.4
256.03616	2.3
257.04568	2.7
257.08206	3.0
269.04208	1.3
270.05334	2.4
271.02542	2.1
283.02469	6.4
284.03284	30.9
285.04025	39.2
286.04639	5.7
300.02826	4.2
301.03772	3.8
301.07156	73.7
302.07703	5.2
343.08307	4.7
403.10336	1.4
447.09406	4.2
459.11319	13.6
459.16406	1.2
489.14072	3.6
591.13751	3.1
609.18335	100.0
610.18933	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	609.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.1
59.01382	38.5
61.98841	1.9
71.01388	9.0
72.99303	1.6
73.02956	5.1
83.01290	0.5
83.94338	0.4
85.02957	6.6
87.75350	0.4
89.02448	8.2
97.02968	1.0
99.00952	0.5
101.02451	9.2
103.04012	6.4
119.03526	2.9
127.03996	1.2
138.63112	0.4
143.03500	0.8
163.06110	1.5
211.04091	0.4
227.03482	1.4
228.04248	5.2
239.03490	3.0
242.05804	0.8
243.06540	2.1
255.02986	9.3
256.03769	16.8
257.04077	1.1
269.04675	0.8
270.02606	0.7
270.05341	8.1
271.06116	100.0
272.06445	5.3
285.07687	8.8
286.08469	59.9
287.08865	2.7
299.09372	1.0
300.10034	2.9
301.10812	86.5
302.11163	5.3
302.99924	0.5
343.11700	2.3
367.11844	1.0
445.15009	4.2
463.16138	15.5
464.16324	1.0
609.21918	49.3
610.22229	6.1
615.20709	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33283	0.3
55.60113	0.3
59.01379	100.0
60.01716	0.7
61.98826	2.2
69.42414	2.5
71.01393	0.4
72.99324	0.8
78.91911	0.6
88.98823	0.9
94.72586	0.3
103.45519	0.4
115.98620	0.4
118.38719	0.3
130.75554	0.3
150.03322	0.3
151.00337	0.6
160.01770	0.3
161.04619	0.5
165.05652	0.5
175.04033	0.6
179.07224	0.4
188.07156	0.8
189.07574	0.4
197.50044	0.3
227.03680	0.5
230.23096	0.4
243.03067	0.6
253.05008	0.5
255.03023	1.5
268.07452	1.1
271.02594	2.3
279.64957	0.3
280.07150	0.4
283.09778	0.9
285.04077	1.1
299.09323	0.3
300.02713	3.9
301.03531	1.5
308.07034	0.6
309.07953	0.7
312.06537	1.2
322.08719	0.4
323.09314	1.7
324.06491	0.7
324.10028	0.9
327.08777	2.7
338.11633	0.4
339.08688	4.1
339.12375	0.5
342.11002	3.2
354.10855	1.6
357.13422	14.0
358.13797	0.9
367.10779	0.4
369.13385	15.2
370.13864	1.2
609.14557	4.5
610.15112	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60849	6.9
59.57517	7.0
61.98831	12.6
65.50723	6.6
71.55746	7.4
73.24062	6.8
74.65485	7.5
78.95881	9.7
83.87099	7.6
86.92971	7.5
98.14578	7.0
104.57826	7.5
108.52495	7.6
152.99545	14.1
169.38615	8.4
199.79086	8.1
255.23260	13.8
267.05774	8.0
271.02576	10.6
279.23236	100.0
280.23645	10.2
283.02347	8.4
621.29620	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	610.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.8
61.98830	100.0
63.57513	0.8
69.23827	8.7
71.01383	9.0
72.99307	1.2
73.02955	6.1
83.01363	1.2
85.02943	3.4
87.00866	2.8
87.04526	1.2
89.02438	6.3
98.20649	1.8
99.00865	1.0
101.02444	9.9
103.04016	2.8
106.35213	1.0
113.02458	2.6
115.03995	2.8
115.05522	1.8
116.92857	3.5
119.03504	3.1
131.03477	4.2
136.52026	1.0
143.03503	5.8
145.05060	1.7
161.04468	1.4
163.06139	13.9
187.03908	1.7
205.07109	10.7
236.83711	0.9
247.08231	5.7
248.97229	1.0
265.09204	1.6
307.23499	1.1
412.32541	0.9
419.15369	1.1
425.76114	0.9
431.14758	4.3
461.24054	5.5
503.24841	7.7
504.24783	1.2
523.70813	1.0
611.20795	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
59.01384	45.1
60.62080	0.8
61.98831	100.0
66.43511	1.0
69.28963	6.6
71.00998	1.6
71.01381	22.1
72.96911	0.9
73.02953	7.8
83.01391	2.2
83.33671	0.9
85.02957	9.9
87.00865	1.5
89.02449	5.5
95.01372	1.5
98.19827	1.7
99.00903	4.3
101.02441	13.4
103.04000	1.0
110.26543	0.9
113.02445	8.9
119.03510	1.9
125.02449	1.4
126.63720	0.9
129.01881	1.0
159.02957	1.9
161.04590	7.1
163.06183	0.9
180.06848	1.1
182.33621	0.9
315.18057	7.4
357.19135	2.4
443.22983	1.7
449.27139	1.3
461.23923	45.8
462.24094	5.1
503.25021	40.2
504.25351	3.8
524.80835	1.0
611.32941	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	611.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90110	8.2
57.54160	9.2
61.98831	15.2
71.10337	22.8
78.95900	62.3
80.46031	10.9
96.96014	82.9
96.96950	100.0
152.99522	22.8
156.80757	10.3
262.26181	12.4
277.21625	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	611.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.0
61.98823	14.0
68.05434	1.2
68.99799	2.1
71.01369	5.5
73.02943	3.4
83.01392	2.5
85.02940	3.7
89.02431	2.9
91.05515	9.0
95.01362	1.5
98.20621	3.5
99.00815	1.2
101.02428	4.6
110.77783	1.4
113.02422	3.7
115.05552	6.2
117.07106	58.7
118.07455	2.6
119.04976	1.8
123.04466	1.7
125.02443	2.0
134.34520	1.3
136.01604	1.3
137.02377	1.4
138.03189	3.6
151.03952	5.0
153.01967	1.9
153.05530	5.4
161.06079	100.0
162.06396	3.9
165.01874	2.0
166.02702	2.1
167.03516	6.1
168.04297	7.3
175.00346	1.8
176.01102	6.0
177.01910	2.7
178.02663	1.7
180.04262	1.5
181.05074	1.8
187.04030	8.1
191.03471	4.3
192.04243	4.3
193.01405	3.0
193.05002	5.0
205.05054	82.8
206.05453	2.6
207.06631	7.3
208.03757	6.0
209.04485	1.6
223.06090	17.3
273.07645	5.9
296.06763	1.6
307.54944	1.5
387.14474	2.3
410.26382	1.4
469.13474	60.3
470.14011	7.0
611.20996	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	611.154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.4
61.98835	43.2
71.01382	9.4
73.02945	4.9
82.53272	2.7
85.02930	6.7
88.86391	2.3
89.02467	4.7
91.05549	7.2
95.48041	2.3
101.02451	5.0
113.02437	5.9
115.05529	4.7
117.07114	73.1
119.05017	3.3
135.03137	2.5
161.06075	100.0
162.06458	5.2
163.03969	3.9
187.04042	4.6
205.05054	68.5
222.49631	3.2
229.66479	3.0
380.00446	2.4
386.79666	2.5
469.13498	97.1
470.13864	11.9
564.45874	3.1
611.26685	4.2
631.04456	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	611.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61372	8.3
71.01389	2.9
73.02942	1.5
74.59045	1.2
81.03459	13.2
83.01385	14.1
85.02967	1.8
93.03443	3.2
95.01378	4.0
95.05007	5.5
97.02932	9.1
99.04539	6.6
101.02471	1.3
107.05029	1.7
109.02928	3.9
111.04504	4.0
113.02473	2.7
117.03448	2.3
119.05021	2.2
121.02918	3.4
121.06602	2.3
123.04524	28.9
125.02451	34.3
135.04483	5.3
137.02457	10.1
137.06065	2.4
139.03990	4.8
147.04535	2.5
149.02391	2.4
151.03990	4.9
153.05553	3.1
155.03503	2.0
163.04042	2.3
165.01909	1.1
165.05521	4.9
166.02708	2.0
167.03487	46.0
167.04919	2.2
168.03761	2.1
177.01843	1.3
179.03464	12.8
181.05078	1.6
191.03477	3.0
193.05017	2.6
193.20027	1.2
197.04517	14.1
209.04536	100.0
210.04884	4.8
221.04594	6.4
235.44637	1.2
239.05592	80.0
240.06061	3.2
243.53563	1.3
244.21153	1.3
251.05602	5.3
268.07370	1.5
269.06638	31.2
270.06808	1.3
277.03506	2.9
281.06720	3.2
311.07788	7.0
329.08807	21.3
341.08682	7.5
359.09949	6.7
371.07700	45.9
372.08035	4.5
401.08694	31.9
402.09128	3.2
431.09808	9.4
431.89328	1.2
437.37448	1.2
447.69586	1.1
449.12808	7.8
455.09210	1.7
473.10782	5.2
477.33398	1.3
491.11920	18.5
492.12469	2.1
496.20786	1.2
503.11942	3.3
521.12756	3.6
551.89166	1.3
593.14722	1.9
611.16064	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	611.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46566	0.4
55.01865	1.0
57.03437	1.1
58.00582	1.5
59.01382	36.0
60.01702	1.5
61.53782	0.3
61.98831	45.3
62.98517	0.4
63.99260	0.7
69.03442	0.8
69.18555	3.8
71.01384	24.8
72.01716	0.8
72.99299	1.9
73.02952	5.3
74.82903	0.4
75.00882	0.6
83.01387	3.8
85.02954	9.9
86.03291	0.8
87.00883	1.9
88.98788	0.5
89.02448	10.7
95.01390	1.7
96.01697	0.4
97.02941	0.7
99.00867	2.3
101.01780	0.8
101.02445	15.6
102.02768	1.2
103.04034	0.5
111.00880	1.1
113.01709	0.6
113.02450	8.7
113.03237	0.5
114.02769	0.9
117.70846	0.4
119.03506	3.2
125.02441	1.0
131.03485	0.6
137.02432	0.5
143.03481	1.1
159.03000	1.1
161.04530	3.4
162.04842	1.0
163.06047	0.5
165.01953	3.2
165.05528	0.7
175.04031	0.4
179.03488	0.5
180.04266	1.8
195.06644	2.7
223.06187	0.7
225.07689	1.6
241.21751	0.8
269.21103	0.4
271.22815	0.4
287.22217	1.9
315.18115	1.2
316.18414	2.0
355.11957	0.6
358.19446	0.6
367.11871	1.4
431.26410	3.2
433.27792	0.5
449.27560	17.8
450.27795	1.6
461.23868	3.3
462.24237	16.3
463.24402	1.3
503.24854	1.1
504.25345	16.0
504.31396	0.3
505.25507	1.3
533.18011	0.6
563.19177	0.6
593.32196	0.6
611.32800	100.0
612.33099	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40166	0.2
59.01381	1.1
61.98832	100.0
63.99252	0.2
65.60382	0.2
67.44358	0.2
70.72028	0.2
71.01381	0.9
71.04789	0.3
72.99328	0.2
83.01418	0.5
85.02966	0.3
87.00837	0.2
89.02459	0.6
91.01906	0.3
101.02451	0.6
109.02951	0.3
113.02445	0.2
116.92862	0.2
119.03522	0.2
123.04501	0.3
161.04587	0.2
177.65785	0.2
187.04005	0.3
213.05481	0.2
218.55455	0.2
223.08830	0.2
256.07391	0.4
271.09735	0.3
339.12451	0.3
549.20007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81575	0.4
59.01382	6.7
60.01715	0.5
61.01818	0.5
61.98832	100.0
67.83453	0.4
69.56780	2.8
71.01379	0.9
79.32732	0.4
85.02967	0.4
88.98802	1.1
101.02496	1.0
117.03479	0.5
149.11646	0.5
179.07205	1.1
205.07147	0.6
208.78926	0.4
221.36871	0.4
234.08531	0.4
241.04335	0.4
245.96069	0.4
258.04880	0.5
272.06900	0.5
287.09308	0.6
315.45514	0.4
509.44867	0.5
544.16803	0.8
577.29364	0.7
612.16296	1.4
613.28064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.6
71.55303	0.4
73.02944	1.8
99.00905	0.3
99.92588	7.0
99.93248	0.4
100.92622	0.3
114.93385	0.3
116.92866	100.0
116.97246	3.9
117.01937	3.1
117.92849	3.2
142.60928	0.2
209.61726	0.3
255.23328	0.3
388.23529	0.3
480.30975	0.3
516.29706	0.3
529.22656	0.3
567.67822	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86316	1.3
61.98832	100.0
71.55796	2.5
73.02258	1.6
125.98557	1.5
136.67311	1.5
137.40770	1.4
141.30727	1.4
316.25067	1.7
398.55807	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	613.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37732	1.0
57.03435	1.3
59.01375	4.6
61.98833	9.6
69.03457	1.4
69.53216	7.1
71.01372	3.0
73.02929	1.3
81.03446	6.9
83.01380	7.2
85.02935	2.1
93.03463	2.9
95.05034	3.6
97.02943	4.4
99.00886	2.1
99.04525	4.1
101.02432	1.8
107.05026	1.6
108.02170	1.6
109.02946	12.0
111.04517	2.5
113.02425	2.1
119.04987	1.7
121.02982	6.3
123.04531	16.9
125.02452	13.7
125.06252	0.9
126.32210	1.1
135.04526	15.9
137.02444	5.8
137.06078	6.0
139.04019	8.2
141.05527	1.1
147.04501	1.7
149.02435	2.8
149.06099	1.5
151.03984	4.1
153.01965	1.0
153.05571	2.7
155.03546	1.5
159.41829	1.0
161.02435	1.1
161.06050	2.4
163.00299	0.9
163.03964	3.4
163.06126	2.5
165.01906	3.1
165.05577	5.6
167.02145	1.9
167.03496	32.5
168.03716	1.5
179.03473	9.3
180.04086	1.0
181.05020	1.6
191.03491	3.2
191.07120	1.0
193.05057	2.8
194.05769	1.4
195.06543	2.4
197.04599	6.2
207.06613	1.9
209.04549	38.1
210.04913	1.9
221.04530	8.8
233.04524	3.4
235.06082	1.9
239.05655	13.5
251.03345	0.7
251.05620	20.3
252.06088	1.4
263.05585	3.8
269.06613	2.6
275.05771	1.7
281.06619	6.2
293.06479	2.2
311.07651	1.6
315.07028	1.0
331.08206	7.7
343.08118	3.4
355.08221	1.6
361.09253	4.2
373.09268	100.0
374.09613	6.5
385.09039	3.3
403.10330	63.9
404.10547	4.3
415.10226	3.1
433.11340	22.0
434.11313	1.7
445.11295	2.2
457.11514	1.6
475.12494	11.7
476.12595	1.3
487.12393	1.6
493.13516	24.7
494.13547	1.8
505.13483	5.9
523.14575	3.6
613.17993	7.4
614.18524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01146	1.6
59.01382	17.9
60.99310	18.1
61.98829	23.2
63.54480	1.4
70.70112	4.2
71.01381	9.7
73.02963	3.3
80.87994	1.7
85.02950	5.3
88.98811	100.0
89.17065	1.4
91.05531	1.7
98.19886	1.4
99.00904	1.9
101.02454	4.8
109.01669	1.4
113.02460	3.5
115.05538	2.2
131.04951	1.5
133.06569	4.4
148.90981	2.1
150.03210	5.8
161.06097	4.2
165.01953	3.3
165.05574	4.3
174.19223	1.7
177.05551	3.2
187.03983	2.3
195.06593	5.3
203.03467	5.1
211.03964	6.4
225.07631	1.9
239.03491	5.2
253.05107	8.8
254.05843	19.6
255.06201	1.8
269.08203	20.3
291.18103	1.9
327.04703	1.6
393.14902	1.5
431.13651	2.4
437.23828	6.1
469.59180	1.6
477.23291	4.3
479.25024	7.3
527.13074	3.7
565.20227	2.1
571.42712	1.6
577.19287	27.0
578.19647	1.8
613.33270	3.4
615.67975	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	613.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45287	2.4
60.03779	2.0
61.98838	6.8
64.58199	2.5
78.87772	2.3
79.07571	2.3
84.24187	2.5
98.20648	6.9
118.95469	2.8
118.97460	2.3
167.86517	2.2
279.23306	100.0
279.26416	5.3
280.18390	2.5
280.23593	6.9
304.59866	2.6
311.16907	4.0
368.51907	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	614.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77498	0.2
59.01385	1.2
61.98831	100.0
63.22204	0.2
69.18513	1.7
69.18938	0.8
71.01405	1.1
72.99312	0.3
73.02969	0.3
75.00866	0.3
85.02977	0.4
89.02441	0.5
98.20620	0.6
101.02454	0.6
106.88225	0.2
111.10904	0.2
112.28303	0.2
113.02448	0.3
115.05574	0.4
133.47710	0.2
138.62201	0.2
151.00372	0.3
159.04636	0.3
161.06070	0.4
165.01971	0.4
175.02478	0.4
175.03937	0.3
179.03369	0.3
180.04282	0.3
187.03947	0.6
203.03375	0.3
223.09964	0.3
241.05180	0.3
256.07446	1.0
259.15891	0.2
271.09848	0.9
272.32547	0.2
426.05469	0.2
579.20966	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05779	0.2
59.01384	0.4
60.58811	0.2
61.98829	100.0
69.24607	1.6
71.01405	0.2
74.56326	0.2
77.23999	0.2
83.01382	0.3
85.02923	0.2
87.00876	0.3
99.00912	0.3
115.00392	0.3
165.01913	0.4
166.02316	0.2
175.02527	0.7
180.04250	0.3
195.06689	0.4
196.07011	0.3
221.97873	0.2
225.07646	0.3
240.77074	0.2
243.10272	0.5
281.39703	0.2
434.96457	0.2
450.00610	0.2
551.21136	0.9
559.21680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03405	0.2
55.17776	0.3
56.03307	0.2
59.01382	0.6
61.98830	100.0
62.37354	0.2
70.18871	0.2
71.01410	0.3
71.56032	0.5
73.02969	0.3
75.00874	0.3
85.02959	0.3
89.02440	0.4
112.17810	0.2
135.03046	0.3
181.05164	0.3
506.89417	0.2
551.50604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.9
57.03435	3.3
59.01381	88.8
61.50671	1.5
61.98526	3.0
61.98830	44.1
63.76815	2.3
68.99792	3.3
69.03447	2.4
71.01382	53.1
71.56522	3.6
72.99301	2.1
73.02947	9.7
75.00876	1.5
77.38776	1.8
83.01389	45.1
85.02942	15.4
87.00863	14.9
88.98819	1.8
89.02446	13.2
91.71866	1.6
93.03468	1.9
95.01392	12.0
96.96021	3.9
97.02957	2.3
99.00871	6.3
101.02437	29.0
103.00358	1.9
108.02171	3.3
111.00904	7.2
113.02457	32.4
113.99575	5.1
115.00377	25.4
119.03500	4.4
123.04536	8.9
125.02463	17.2
127.00369	23.3
137.02460	2.3
138.03262	2.3
139.00377	13.0
140.09586	1.9
143.03494	3.9
143.34712	1.6
143.65825	1.6
149.02382	2.5
150.03180	6.4
157.01404	7.7
159.02945	1.9
161.02463	4.0
161.04524	11.2
162.03108	3.2
164.04750	2.2
165.05534	5.9
167.03568	2.1
169.01414	5.1
175.00987	3.5
175.02478	62.4
178.02638	2.5
179.05618	2.6
179.07112	2.2
187.02467	17.6
193.05049	11.8
195.06491	2.2
241.04997	3.2
247.04515	3.8
271.09744	5.4
326.49130	1.7
331.17645	9.4
373.18515	11.4
399.16296	2.7
417.25381	2.0
441.17636	100.0
442.18051	7.9
459.19446	2.1
469.36218	1.8
471.18634	34.7
472.19162	3.3
501.19653	11.8
519.20502	2.9
579.30182	29.6
580.30420	4.4
615.20233	7.0
615.28882	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	615.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50308	3.3
57.03426	4.1
58.00590	3.1
59.01376	55.4
61.98534	3.4
61.98830	53.5
69.03431	2.6
70.13297	2.4
71.01385	47.0
71.56760	3.9
72.99274	6.9
73.02938	13.1
83.01382	3.3
85.02964	18.6
87.00874	6.4
87.04509	3.1
89.02442	32.6
95.01396	4.6
99.00880	4.4
101.02459	31.7
103.04000	6.8
105.56868	2.7
113.02440	21.8
115.04042	5.5
119.03493	21.1
127.04000	7.6
131.03505	8.7
143.03532	13.0
145.05083	14.5
161.04539	10.2
163.06139	8.2
175.22971	2.7
179.05659	14.8
205.07140	9.5
217.14490	3.5
229.13885	2.6
247.08138	4.7
367.12338	12.8
393.17667	18.6
410.53555	3.1
467.87717	3.4
486.62521	3.1
555.22955	100.0
556.23218	9.3
644.61121	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	615.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98825	7.0
70.64677	2.8
71.01376	35.6
73.02931	15.4
83.01413	6.6
83.32762	2.4
85.02957	22.2
87.00878	5.6
89.02435	6.3
98.20695	4.1
99.00878	5.5
101.02443	20.9
113.02440	13.8
117.07175	3.9
125.02404	2.6
136.75845	2.8
143.03470	3.5
159.02992	5.1
160.39200	2.5
161.04578	14.3
161.06042	6.5
185.11836	6.2
205.05072	5.3
211.13379	4.7
325.62033	2.6
383.24362	14.8
384.24551	4.0
529.30200	77.5
530.30536	7.0
571.31256	24.9
644.37671	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	617.0046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61890	1.1
59.01377	100.0
60.01707	1.0
61.98826	5.3
70.80385	0.9
87.44923	1.1
95.70812	0.8
115.02510	6.4
117.00443	5.5
132.98146	4.6
159.01486	57.2
160.01663	2.4
174.99245	37.4
192.95872	4.3
201.02505	10.8
202.02675	1.4
217.00287	89.5
218.00652	2.5
231.00267	1.0
232.98338	2.5
248.96030	1.7
259.01627	1.1
274.99310	5.2
290.97165	4.2
301.02661	25.5
302.02701	3.7
317.00378	64.9
318.00592	5.8
332.98169	22.1
359.01395	5.2
374.99179	32.3
375.99365	1.4
416.99835	1.2
431.00101	1.0
432.98145	1.9
443.19269	1.0
443.85687	1.0
459.01526	4.6
474.99323	26.5
475.99734	2.3
514.96918	1.5
540.80017	1.1
554.99957	1.5
556.98358	34.8
557.98657	5.8
618.43274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.8
61.98827	17.6
69.81329	4.5
69.81731	12.4
88.98798	3.6
91.05521	9.4
91.98618	3.2
98.19958	3.9
115.05545	5.8
117.07115	54.9
118.07415	3.2
137.41934	2.6
161.06079	100.0
187.03897	5.4
205.05061	85.3
206.05276	3.3
212.69986	2.9
401.05707	2.8
410.31650	2.8
439.25912	3.1
460.10641	2.4
463.14627	2.6
511.14420	13.7
556.34106	2.9
621.88403	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	617.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.0
56.58073	2.6
57.03462	4.0
58.00589	4.2
59.01381	100.0
60.43465	2.9
61.98835	38.4
69.03450	4.3
71.01384	52.1
71.56606	4.9
71.96992	2.7
72.99323	6.0
73.02940	24.4
74.16411	3.0
80.80329	2.9
83.01389	33.0
85.02953	18.0
87.00877	11.5
88.98810	6.4
89.02460	29.3
95.01389	25.5
98.04354	2.8
101.02451	57.5
103.04025	13.0
111.00875	8.3
113.02454	28.5
115.00327	4.7
116.05051	5.9
119.03516	12.7
123.04507	3.5
125.02435	13.6
127.00378	12.9
129.10376	2.7
131.03484	9.3
137.02460	10.8
137.09657	4.2
139.00406	17.3
143.03519	14.7
145.02939	7.5
145.05017	6.0
149.02451	3.0
150.03229	7.4
157.01445	3.8
161.04543	10.0
163.06116	51.6
163.07407	4.2
165.05553	13.2
167.03387	4.0
169.01485	4.5
175.02484	7.9
179.05612	8.0
179.93944	3.1
195.07825	3.2
203.05481	4.0
203.08232	4.1
205.07213	19.3
225.05495	6.0
247.08223	15.7
257.06027	3.7
257.08258	34.7
285.03946	5.8
384.39578	3.6
419.13293	19.7
441.17645	9.5
471.18674	4.0
479.19220	27.6
509.20126	9.3
552.24701	10.9
581.16632	11.5
582.25677	9.4
599.28375	4.9
617.28864	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	617.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.1
70.18460	12.2
75.00872	88.2
78.95899	6.1
96.96001	20.9
100.91367	3.1
103.00375	100.0
103.04004	12.6
104.03502	5.2
150.50563	3.0
156.61153	3.2
159.01299	3.0
160.06902	2.8
277.21707	9.0
301.45605	3.7
359.76212	3.2
527.93304	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	617.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05773	1.7
53.81788	1.7
59.01357	3.5
62.07393	1.9
68.98700	2.1
69.32338	17.5
75.00875	88.3
78.81639	1.6
96.96046	9.3
101.02458	3.3
102.05698	2.1
103.00378	100.0
103.04021	15.8
138.74265	2.2
246.78665	2.1
261.99173	2.1
277.21790	3.8
561.64398	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79412	3.2
52.86816	2.8
58.00611	3.1
59.01382	100.0
60.03940	2.6
61.98833	34.9
68.77493	3.0
69.03448	3.4
71.01386	67.7
71.56223	5.8
72.99309	3.8
73.02946	31.2
81.03456	2.9
83.01387	13.5
85.02957	13.1
87.00872	6.5
88.98824	5.0
89.02449	46.2
93.03457	3.9
95.01398	3.1
97.02929	3.4
101.02444	46.1
107.37382	3.0
108.02195	22.6
108.27570	2.6
109.02972	17.3
113.02460	27.7
115.00407	4.8
119.03504	20.9
119.05009	5.8
123.04533	8.1
123.86407	2.8
125.02499	4.8
131.03464	4.4
133.02921	3.9
137.02431	5.2
143.03503	7.2
149.02490	6.7
149.04565	5.3
150.03259	4.0
152.01166	34.2
153.01944	17.8
153.05579	6.7
161.04550	16.0
163.03990	5.3
165.05582	7.9
166.02696	3.2
167.03450	5.1
175.02496	7.6
177.01880	13.7
179.05635	9.1
195.06598	4.8
227.09180	5.3
231.02820	2.8
275.09189	4.0
284.03290	3.2
315.07239	43.6
315.10614	5.0
323.05542	4.1
339.07291	24.0
369.10144	3.1
383.06284	21.7
401.07010	3.5
432.26685	3.0
443.09793	13.0
568.49731	3.3
619.19025	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	619.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.2
61.98833	0.8
71.55863	0.8
72.99313	8.0
75.00874	5.6
87.00883	0.6
98.69883	0.5
103.00368	1.6
104.03548	1.3
105.01935	100.0
106.02261	1.1
120.80586	0.4
153.26973	0.5
180.66087	0.5
293.80490	0.5
329.56683	0.5
458.80093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76281	0.7
57.84635	0.7
58.42614	0.7
59.01384	3.3
61.98834	3.3
63.40840	0.7
71.03651	1.8
72.99303	7.3
75.00874	4.7
85.71602	0.6
103.00361	1.7
104.03528	1.0
105.01938	100.0
106.02274	0.8
112.55950	0.8
116.85929	0.6
154.33415	0.6
270.88193	0.6
335.83841	0.7
345.95486	0.6
355.89130	0.7
378.79251	0.7
394.23141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04933	0.3
57.03454	0.7
58.00598	1.8
59.01379	44.9
61.98813	0.4
71.01380	8.2
72.99310	2.2
73.02950	3.5
75.00890	0.9
78.56663	0.4
85.02952	6.8
89.02444	9.7
97.02963	0.6
101.02447	7.3
103.04009	7.9
105.23683	0.4
117.64906	0.4
119.03487	3.1
127.03976	0.7
137.48814	0.4
145.05086	0.7
163.06082	1.9
175.97304	0.3
200.41969	0.4
212.04768	1.3
213.05556	23.3
214.05940	1.1
227.07118	1.0
230.05887	0.5
240.04337	2.0
241.05060	47.9
242.05380	2.5
254.05901	0.8
255.06612	11.0
256.07401	91.2
257.07761	6.0
269.08167	0.7
270.08875	2.8
271.09747	100.0
272.10107	6.7
313.10825	1.0
337.10861	1.0
355.11905	0.6
415.13998	5.1
416.14691	0.4
433.14975	1.0
436.90277	0.5
436.96716	0.4
457.14948	0.5
475.16156	11.3
475.22931	0.7
476.16315	0.9
479.17471	0.4
561.19543	2.8
579.20636	6.8
580.21045	0.6
621.21857	26.4
622.22205	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87771	0.5
57.03433	0.6
58.00579	2.1
59.01381	43.5
61.98826	1.6
69.41404	4.0
71.01380	9.4
72.99309	2.1
73.02963	4.1
83.01377	0.6
85.02953	8.0
89.02446	9.6
97.02944	0.9
99.04525	0.7
101.02448	8.8
103.04012	7.7
109.02934	0.6
111.63487	0.5
113.02457	0.8
115.63772	0.6
117.07114	0.7
119.03513	3.7
123.04544	0.7
127.04047	1.2
133.06548	0.5
134.01979	0.5
140.51393	0.5
147.04601	0.6
161.06079	1.7
162.06554	0.6
163.06129	2.3
164.10748	0.5
187.04036	1.5
187.22403	0.6
212.04858	1.7
213.05577	22.8
214.05942	1.0
227.07150	1.3
239.03578	0.6
240.04289	2.5
241.05066	49.9
242.05423	2.5
254.05678	0.9
255.06618	13.7
256.07407	94.5
257.07721	5.5
265.77136	0.6
269.08212	1.3
270.08975	3.5
271.09753	100.0
272.10110	6.2
309.21671	0.6
313.10818	1.7
336.89999	0.5
415.13889	4.2
433.14917	1.0
475.16135	12.6
476.16626	1.3
482.04358	0.5
561.19543	3.0
579.20831	6.5
580.21313	0.7
621.21918	29.9
621.34143	1.8
622.22601	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	621.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14507	1.6
55.01866	2.4
57.03449	50.2
59.01382	77.9
61.98831	29.9
69.03415	2.5
69.13058	1.9
69.35676	1.9
71.01387	48.9
71.33147	2.4
72.99315	2.6
73.02953	17.5
75.00867	16.0
81.03442	4.7
81.43656	1.7
83.01382	10.9
85.02947	23.5
86.16055	1.6
87.00856	4.2
88.98795	5.4
89.02445	26.4
95.01380	5.4
96.96005	6.2
97.02927	3.6
99.00889	4.4
99.03902	3.0
99.04524	48.6
101.01790	2.8
101.02444	50.8
113.02445	23.2
113.71508	2.1
119.03506	6.9
125.02454	42.8
143.03482	6.5
148.77429	1.7
159.03033	2.7
161.04584	17.3
161.05875	3.0
179.05626	2.2
241.18816	1.9
256.07312	3.5
271.09784	3.1
311.39325	1.8
313.76483	1.9
315.18045	7.9
459.22430	27.7
460.22665	2.8
477.23398	100.0
478.23892	9.8
483.22177	5.5
512.89117	2.5
519.24341	8.0
561.28552	2.4
621.27332	5.3
621.35919	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	621.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79044	1.3
57.03448	55.4
58.00586	1.7
58.03773	1.8
59.01379	75.8
61.98823	16.1
64.71648	1.4
65.34346	1.5
69.03430	1.8
71.01380	42.9
72.99304	5.1
73.02939	22.0
74.03264	1.6
75.00874	6.1
81.03437	2.2
81.92731	1.5
83.01378	5.9
85.02947	19.3
87.00867	9.6
87.04511	1.6
89.02437	25.5
90.02730	1.5
92.92902	1.4
95.01387	2.3
97.02942	2.7
98.19884	2.6
99.00864	2.2
99.04516	24.9
99.05118	1.0
101.02439	41.7
103.03991	4.6
111.00921	1.6
113.02457	18.5
115.04041	2.5
119.03507	8.2
125.02448	20.6
131.03526	10.5
139.44917	1.4
143.03490	10.6
145.05003	1.6
149.04460	1.6
151.11266	2.0
159.02934	3.0
161.04562	15.5
163.06093	9.1
179.05609	2.4
188.84674	1.8
205.07219	7.1
221.06693	7.2
240.04172	3.0
241.04852	1.9
247.08199	2.8
255.06563	9.1
256.07385	6.6
265.14395	2.6
269.04453	1.7
271.09753	11.4
272.09879	2.0
317.48999	1.4
331.17590	17.7
342.23251	1.5
373.18994	1.9
390.28589	1.9
459.22461	2.4
477.23401	100.0
478.23654	11.0
519.24292	22.1
520.25159	3.4
559.27277	2.1
579.20874	5.1
621.28986	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	623.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23309	0.8
55.01873	0.9
57.03455	0.8
57.84969	0.7
59.01378	13.5
61.98829	18.1
63.02394	0.8
65.00309	1.0
66.34721	0.8
69.43554	1.6
69.43951	6.2
71.00999	1.5
71.01380	18.5
72.99312	1.8
73.02932	3.9
75.00876	0.8
76.15151	0.8
77.83683	0.7
81.03451	0.9
83.01392	4.2
83.01813	0.9
85.02964	8.2
87.00894	1.6
89.02443	10.3
91.01896	1.0
93.03445	1.5
95.01385	1.2
97.02937	2.2
98.03958	0.8
99.00868	1.0
100.92722	0.7
101.02438	12.6
107.01389	3.8
108.02177	0.9
109.02980	1.4
109.93838	0.8
111.00863	1.2
113.02454	5.2
119.03488	4.1
121.02962	1.1
125.02427	3.0
131.03458	1.3
132.02184	2.2
133.02908	2.9
134.03729	3.5
135.00893	1.9
135.04506	4.3
137.02478	1.2
143.03502	2.3
143.05040	1.0
151.00319	5.9
160.01619	4.7
161.02443	9.9
161.04501	4.6
163.00325	3.2
164.01126	1.0
165.01938	1.0
169.06656	1.3
175.04013	8.2
177.05585	1.2
179.03523	4.9
179.05563	3.5
183.04492	2.4
185.06070	2.6
187.03928	4.2
189.05675	0.9
193.05022	3.7
197.06081	1.7
199.04001	1.6
200.04729	0.9
211.03998	4.9
212.04683	1.2
213.01852	0.9
213.05510	2.2
221.04585	1.8
221.06689	1.8
223.04015	0.9
227.03487	47.9
228.03888	3.7
229.05060	11.8
239.03442	2.3
241.05028	3.5
242.05283	1.0
243.05293	0.8
245.06683	2.3
255.02968	89.4
256.03592	11.7
256.07437	2.1
257.04489	8.5
257.07776	2.7
258.04865	1.7
258.07944	1.0
263.07605	3.5
267.02988	0.9
268.18768	1.0
269.04584	1.4
271.09656	3.0
272.10098	2.8
273.10620	1.1
283.02448	3.9
283.99973	1.1
284.03253	88.4
285.04007	100.0
286.04346	8.1
298.04764	2.0
299.05594	15.6
299.08871	0.8
323.07645	21.0
327.05090	2.7
337.09354	4.7
340.72827	1.0
341.36133	1.0
362.47540	0.8
447.09427	3.4
461.10867	1.2
461.23883	9.2
513.69586	0.9
521.33624	0.8
581.29578	1.0
623.14020	93.1
623.28839	10.6
624.14282	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	623.1612
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
52.70218	0.5
59.01370	1.4
61.98837	3.2
63.02389	0.5
69.48463	0.4
69.58540	1.1
69.58958	2.1
71.01382	1.0
73.02935	0.5
80.25111	0.5
87.00859	0.7
88.98811	0.9
89.02437	0.7
98.20681	1.1
99.16676	0.6
105.01944	0.7
107.01402	1.5
115.00433	1.0
123.04549	0.8
125.02486	0.7
137.11015	0.6
143.05072	0.7
145.02904	0.9
148.01630	0.7
151.00339	3.8
155.05093	1.0
163.00383	1.4
171.04451	0.6
175.02414	2.2
175.03874	1.1
183.04468	1.7
187.04066	0.7
199.03998	4.6
201.01828	0.7
211.03943	1.1
215.03476	2.0
226.02785	0.8
227.03490	7.6
227.28130	0.5
228.04234	1.0
242.02249	3.3
243.02968	26.6
244.03502	2.5
254.02179	1.3
255.02971	21.1
256.03491	1.5
257.04556	3.7
259.06104	0.6
270.01608	3.0
271.02460	42.8
272.03131	5.0
284.03177	3.9
285.04050	8.5
286.04706	1.7
287.05536	1.7
299.01965	41.2
300.02722	41.9
301.03088	2.4
313.03522	1.0
313.98923	0.7
314.04318	33.1
315.05081	100.0
316.05496	6.5
357.05823	0.6
360.13724	0.5
363.99673	0.6
369.13361	1.1
583.39362	0.6
623.16150	81.4
624.16522	10.3
653.29120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.4
57.03445	1.5
59.01380	14.8
61.98834	15.2
66.04304	0.4
66.26700	0.4
69.03439	1.0
69.23638	4.3
71.01381	21.8
73.02951	6.3
75.00871	0.8
77.03991	0.9
81.03445	1.0
83.01396	4.6
85.02953	8.9
87.00867	3.1
88.98786	1.1
89.02443	2.2
93.03453	1.0
95.01393	1.4
95.05023	3.4
97.02966	1.5
99.00894	3.8
101.02446	14.7
101.03100	0.9
105.03468	1.0
111.00900	0.7
112.01690	0.8
113.02448	9.3
115.00380	2.8
121.02971	0.5
123.04526	100.0
124.04845	2.3
125.02436	1.5
125.03288	0.5
135.08072	0.4
137.02426	0.5
141.01918	0.5
143.03505	3.0
149.02411	1.4
151.00311	0.6
157.01439	0.5
159.02995	1.9
161.02487	0.9
161.04561	14.7
163.06079	0.4
165.05553	0.7
175.02475	6.9
180.05777	0.6
189.05756	0.4
203.03427	0.5
203.07204	1.0
204.04254	0.9
205.03532	0.6
211.58922	0.4
213.63524	0.4
219.06703	1.7
225.05539	2.7
229.03564	1.0
229.08672	4.3
230.08948	0.4
241.05103	1.8
255.02937	0.6
257.08182	15.2
257.10873	0.8
258.08746	0.5
269.10303	31.1
270.10638	1.6
285.09784	11.0
286.10190	0.5
287.09149	0.7
315.05341	0.7
337.09271	30.9
338.09763	2.3
353.08771	23.3
354.09167	1.6
419.13382	1.0
461.14658	1.4
519.18646	0.8
537.19910	1.8
623.16431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.7
60.54329	2.8
61.98828	57.9
65.00318	4.4
68.84882	2.2
71.01374	7.1
83.01369	4.8
84.12389	2.2
85.02943	2.9
101.02405	4.3
107.01378	2.9
123.04482	2.4
143.70616	2.0
145.06548	4.5
150.03134	2.7
151.00319	12.1
152.09924	2.8
169.06573	3.7
171.04471	9.4
183.43683	2.2
187.07674	3.4
211.07593	5.7
213.05591	3.6
229.59212	2.4
255.06616	100.0
256.06903	7.6
297.07599	4.3
352.27838	2.2
563.17657	72.9
564.18048	8.7
623.35181	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	623.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98640	1.9
58.00601	1.8
59.01379	20.0
61.98829	56.1
69.18757	18.0
71.01379	16.2
72.99300	2.8
73.02955	4.5
75.00883	2.7
80.74568	1.5
85.02969	6.7
87.00874	4.8
88.98810	1.7
89.02451	6.3
95.01432	2.0
95.35593	1.8
99.92603	9.2
101.02448	11.7
113.02467	8.3
115.05515	1.9
115.92080	10.6
116.92860	54.5
117.92886	3.2
119.03515	3.1
123.04477	2.8
143.03491	4.9
161.04556	7.0
163.06091	3.2
187.03998	2.6
197.06126	6.6
205.05223	2.2
205.07164	4.8
225.05582	50.1
226.06038	2.0
240.07913	90.9
241.08307	5.1
244.65068	1.8
255.10260	100.0
256.10562	7.8
285.04077	18.7
417.15500	3.4
501.14188	2.7
537.16705	2.4
544.57196	1.8
563.21295	40.9
564.21399	4.5
579.17828	2.6
623.16101	9.0
623.36310	2.2
624.17395	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	623.3435
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01875	1.7
57.03439	2.1
57.29622	0.5
58.00600	0.7
59.01381	19.3
61.98822	1.8
69.03442	1.4
71.01383	19.4
71.55872	0.4
72.99303	1.6
73.02950	5.8
81.03449	1.4
83.01395	3.9
83.05013	3.0
84.71647	0.5
85.02943	5.6
85.06596	0.6
87.00877	8.6
87.04523	0.6
89.02442	9.0
93.03445	0.8
95.01395	2.5
95.05039	1.1
95.31125	0.5
97.02931	1.5
97.06600	1.5
99.00898	1.1
101.02449	13.7
103.03983	0.8
106.04263	0.6
107.05048	0.8
109.06603	3.5
111.00869	0.8
111.04529	0.9
111.08149	2.1
112.01645	0.6
113.02452	8.7
115.03995	0.9
119.03513	2.9
123.08146	0.5
125.02438	2.1
129.01894	0.6
131.03476	0.6
133.05087	1.3
133.06596	0.9
135.08174	2.6
137.09714	2.7
139.11275	0.6
143.03491	1.1
145.05078	5.0
161.04576	5.0
163.11310	0.8
179.05624	2.7
193.12251	0.6
203.14366	1.3
205.15959	1.1
207.17467	0.7
211.13376	1.5
213.14835	2.3
219.13786	0.6
223.17245	0.6
231.17542	2.4
235.08231	13.5
237.14949	1.5
237.18549	1.1
239.16513	2.9
241.18074	1.5
247.13351	1.0
247.17104	0.7
251.16748	0.5
253.09325	0.6
257.72672	0.5
261.18469	0.6
263.20013	0.5
265.18063	1.9
267.19565	1.1
275.16501	3.3
277.18076	1.5
287.20163	0.5
293.21136	0.7
303.19672	0.6
313.25293	0.8
315.26932	3.8
317.28403	1.0
325.25375	5.5
326.25555	0.6
333.28101	1.3
341.24823	5.2
343.26434	7.1
344.26779	1.0
351.23349	3.2
359.25906	11.8
360.26147	1.1
361.27490	2.7
369.24316	15.4
370.25006	1.2
377.26971	1.3
387.25385	60.6
388.25757	5.3
405.26447	47.8
406.26791	5.3
429.26346	0.6
479.30090	3.1
595.34668	2.3
605.33405	1.3
623.34363	100.0
624.34644	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	623.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.5
56.15049	1.2
57.03450	2.1
59.01380	21.7
61.98828	2.9
63.65158	1.1
66.65858	1.1
69.03473	2.4
69.32063	10.2
71.01379	24.2
72.99322	1.3
73.02962	7.0
81.03482	2.1
83.01376	3.0
83.05020	2.9
85.02937	6.6
86.00112	1.5
87.00876	8.0
87.04549	1.0
89.02438	11.7
95.01385	2.0
95.05063	1.7
95.55674	1.0
97.02949	2.5
99.00876	2.2
101.02440	16.2
103.04037	1.2
109.06612	2.2
111.08154	2.9
112.01601	1.2
113.02442	7.1
119.03510	1.9
125.02462	1.7
133.05035	1.3
133.06624	1.4
135.08124	2.1
137.09706	3.6
145.05048	6.4
161.04552	4.8
179.05595	3.0
203.14423	3.0
211.13376	1.9
213.14827	1.5
229.69260	1.2
231.17587	2.5
235.08195	15.0
236.08496	1.4
237.14969	1.5
239.16530	2.8
265.18076	1.6
275.16492	2.9
277.18164	1.8
303.53363	1.1
313.25305	1.2
315.26874	3.7
318.84082	1.1
325.25427	7.4
326.25757	1.2
341.24753	6.0
342.25180	1.3
343.26511	8.9
351.23230	3.6
359.25931	13.9
361.27545	2.1
369.24301	16.2
370.24417	2.2
377.26993	2.2
387.25397	66.9
388.25714	7.0
405.26413	58.2
406.26526	5.8
420.59531	1.2
461.28818	1.2
479.29999	4.7
595.34833	2.5
605.33215	1.9
623.34369	100.0
624.34711	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	623.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06609	0.4
57.03439	0.6
58.00593	0.6
59.01101	0.8
59.01381	12.2
61.98534	0.8
61.98833	11.1
69.03465	0.6
69.38112	2.3
69.38531	1.3
70.26904	0.5
71.01382	10.0
72.99310	1.0
73.02956	2.9
83.01378	1.9
85.02965	5.2
86.00050	0.4
86.95451	0.5
87.00880	2.2
89.02460	2.5
95.01395	0.5
97.02940	0.6
97.69900	0.5
99.00880	1.1
100.94183	0.4
101.02445	5.3
113.02452	2.7
113.74301	0.5
115.04042	0.5
119.03474	0.9
125.02448	0.8
130.82201	0.4
131.03429	0.7
133.37566	0.5
143.03502	0.8
170.29222	0.5
260.89847	0.6
297.24359	3.1
313.23874	0.8
315.25381	20.4
316.25629	1.4
357.26749	0.6
382.85788	0.5
459.29608	3.2
477.30698	23.3
478.30966	2.8
605.35248	0.5
623.36469	100.0
624.26532	0.6
624.36761	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	624.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.3
59.07240	0.2
61.98831	100.0
70.94231	0.3
70.94603	0.4
71.01376	1.4
73.02946	0.3
83.01376	0.4
85.02969	0.7
87.00877	0.5
88.98838	0.3
89.02441	0.3
96.96017	0.2
98.65305	0.2
101.02448	0.6
101.05373	0.2
111.00862	0.3
114.50704	0.2
115.00404	0.6
121.03022	0.2
125.02470	0.4
129.40627	0.2
150.03239	0.4
151.00354	0.3
161.02451	0.3
161.04593	0.4
165.05627	0.4
167.03554	0.3
175.02525	0.9
190.02786	0.3
195.06557	0.2
205.05127	0.2
207.31146	0.2
225.05522	0.4
257.08200	1.2
258.08548	1.2
285.03995	1.0
286.04456	0.5
300.02859	0.2
315.05194	0.2
388.14850	0.2
419.13470	0.3
420.13528	0.3
624.33325	0.2
625.21222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98830	100.0
62.98516	0.1
71.01368	0.2
72.54092	0.1
87.62852	0.1
98.20671	0.3
110.35121	0.1
140.95439	0.1
229.65463	0.2
269.04581	0.2
285.04337	0.2
530.41071	0.1
561.29846	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71803	0.1
59.01391	0.4
61.98831	100.0
67.39059	0.1
71.01401	0.2
88.00385	0.1
89.02423	0.2
98.20715	0.3
101.02428	0.2
101.15364	0.1
115.00371	0.2
175.02426	0.2
193.05081	0.3
196.57018	0.1
225.19759	0.1
255.03081	0.1
256.03482	0.1
256.07016	0.2
285.03946	0.3
286.04282	0.1
448.18835	0.1
564.17859	0.3
624.15070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98831	100.0
62.97029	0.2
69.53908	1.6
71.01406	1.6
72.01748	0.3
73.02963	0.7
83.01404	0.3
85.02932	1.0
85.79382	0.2
87.00874	0.4
88.98833	0.3
89.02463	0.4
99.00880	0.3
101.02469	1.0
105.01983	0.2
106.06635	0.3
113.02457	0.8
115.00409	0.6
119.03506	0.2
123.04532	5.1
124.04861	1.7
134.03687	0.2
143.03506	0.4
150.05649	0.5
161.04614	0.9
162.04945	0.4
175.02475	1.1
176.02808	0.5
205.05156	0.2
219.99464	0.2
225.05739	0.3
242.05708	0.2
257.08185	1.8
258.08548	1.5
269.10382	1.0
270.10913	0.5
285.04388	0.3
285.09763	0.3
286.10193	0.5
301.03513	0.3
337.09381	0.9
338.09637	1.2
339.10263	0.3
353.08969	0.6
354.09091	0.5
487.03143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11031	0.3
61.98832	0.4
63.02382	0.7
65.00316	1.8
70.02553	0.3
79.79133	0.3
83.01386	1.4
90.51748	0.2
91.26267	0.3
93.03437	0.3
98.19941	0.8
107.01402	3.7
108.02174	1.7
109.02946	1.8
121.02954	2.4
121.57355	0.3
125.02444	0.7
135.00897	0.8
139.03995	0.4
147.00899	0.3
148.01659	1.9
149.02397	0.3
151.00368	16.0
152.00830	0.4
153.01878	0.3
159.04469	0.4
163.00374	2.6
163.04012	0.3
164.01129	0.9
165.05608	0.4
169.01465	0.6
172.27364	0.3
175.04007	0.5
178.99854	8.9
180.00360	0.3
183.04523	0.8
187.03993	0.8
190.99893	0.4
191.07144	0.3
192.00639	0.4
194.56250	0.3
198.03110	0.3
199.03976	1.4
200.04770	0.3
203.03569	0.7
211.03931	1.6
215.03476	0.8
216.04309	0.7
226.02791	1.4
227.03459	3.6
228.04042	0.5
229.05035	1.2
239.03560	0.3
243.02971	12.5
244.03548	0.7
245.04562	1.4
254.02336	2.3
255.02971	30.3
256.03281	1.8
257.04538	0.4
271.02460	68.5
272.02969	4.9
273.04083	1.9
283.02393	1.9
299.02069	1.6
300.02734	100.0
301.03458	43.9
302.03815	2.3
343.04465	1.5
445.07944	0.6
463.08890	0.4
625.14063	93.0
626.04065	0.6
626.14380	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87539	0.8
61.84289	0.7
63.09533	0.8
65.00309	1.2
71.04879	1.0
71.05212	1.2
83.01383	1.1
104.57724	0.8
107.01390	1.1
121.02934	1.2
129.60260	0.8
151.00377	7.5
152.00804	0.7
163.00343	0.9
171.04579	1.1
175.00308	1.3
178.99918	2.2
199.03926	3.9
201.01913	1.0
215.03465	2.0
227.03499	3.8
243.03023	5.2
255.02966	2.4
271.02466	59.3
272.02847	2.9
282.01724	0.9
297.88925	0.9
299.01962	100.0
300.02579	18.4
301.03525	39.7
302.03873	3.7
313.03323	1.1
343.04758	1.1
353.52740	0.9
462.08020	24.9
463.08749	44.7
464.09085	2.9
483.53369	0.8
505.10187	1.3
535.47260	0.9
542.05316	0.8
619.07208	1.0
625.14075	77.3
626.14484	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98717	0.6
61.98833	3.8
65.00328	0.7
71.01382	0.6
93.03474	1.1
95.01394	1.3
98.19879	2.4
110.00096	8.7
111.00896	2.7
123.00939	1.0
136.98820	1.1
137.99611	3.7
139.00378	9.3
145.02945	0.9
151.00371	1.6
152.01122	0.9
165.99069	11.0
166.99858	4.9
173.06122	0.9
175.02481	1.1
178.99915	1.9
183.04526	1.3
187.04066	1.1
193.98604	1.8
198.03358	0.9
201.05548	2.2
211.03949	1.2
217.05092	1.8
226.02687	0.8
227.03467	3.1
228.04216	1.3
243.02986	18.5
244.03418	1.0
245.04535	2.9
254.02112	1.8
255.02986	9.2
256.03662	1.4
264.67542	0.7
271.02472	28.6
271.05417	1.6
272.03210	7.4
283.02402	1.1
300.02753	39.9
301.03528	100.0
302.03949	6.4
304.02179	0.9
463.08591	1.4
610.22491	0.9
625.14038	86.8
626.14551	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24036	0.7
59.01356	1.8
61.98826	4.7
63.02420	0.9
65.00314	1.7
69.86920	0.8
71.01376	2.2
71.55938	1.1
72.21204	0.8
72.99277	1.2
73.44610	0.8
82.26733	0.7
83.01350	1.7
85.02938	0.8
88.98795	2.5
89.02449	1.2
93.03464	1.8
99.00849	1.0
100.01640	1.7
101.02427	0.8
107.01376	2.1
108.02170	2.7
109.02960	2.2
110.00054	2.1
111.00850	2.8
116.92904	0.8
121.02930	1.3
125.02421	1.7
137.02429	1.6
137.99582	1.5
139.00403	4.3
144.93257	0.7
145.02951	1.3
148.01653	1.0
151.00391	8.8
152.01169	1.8
163.00395	1.6
163.03873	0.7
164.01140	1.0
165.05583	0.9
165.99062	3.2
166.99846	1.9
167.03430	0.9
174.03246	0.8
175.02495	1.6
175.03874	0.9
178.99814	7.6
179.03484	1.1
182.03773	1.0
187.03954	1.3
191.03508	1.4
193.01314	1.1
193.98564	1.0
199.03951	1.3
201.05496	1.3
208.03792	0.9
209.04623	0.9
211.03967	1.3
215.03569	1.7
223.06036	1.5
226.02744	1.3
227.03511	9.5
229.05042	1.5
239.03436	1.0
241.01372	0.7
242.02216	0.8
243.02991	15.4
244.03503	2.0
252.21216	0.8
254.02136	2.3
255.02991	55.2
256.03333	3.4
257.04462	0.9
269.04443	0.9
270.01767	1.8
271.02472	70.3
272.03085	11.1
273.03870	1.0
277.07098	0.9
283.02432	2.2
299.02048	5.9
300.02750	78.2
301.03473	43.5
302.03860	2.8
316.02179	2.4
317.02872	3.2
343.04306	1.0
380.53156	0.9
400.10098	2.8
463.08569	9.1
607.12701	4.2
625.14050	100.0
626.14276	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	625.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09321	1.4
50.24141	1.5
51.86358	1.6
55.22025	1.3
57.03452	1.7
59.01382	8.2
61.98831	100.0
62.98537	1.8
68.91196	1.3
71.01387	9.2
71.22366	1.2
71.56059	2.2
73.02947	3.5
83.01407	3.9
85.02962	5.7
87.00888	1.9
89.02459	2.8
95.01355	1.4
99.00927	1.4
101.02429	7.2
107.59366	1.4
113.02461	3.0
117.03492	1.5
125.02457	1.9
145.02960	1.9
161.02449	1.6
161.04625	1.7
175.73592	1.4
187.08777	3.4
213.05530	6.3
227.03610	6.5
229.05058	1.6
241.05052	24.2
249.57376	1.4
255.02986	11.6
256.03418	2.6
256.07407	53.5
257.07889	4.4
257.12936	1.5
269.04581	2.2
271.09756	64.6
272.10126	5.2
284.03259	13.5
285.04031	20.5
292.96094	1.6
299.05750	1.9
301.11826	4.5
337.09882	1.8
403.13956	1.7
433.15036	29.4
434.15344	2.8
463.17368	7.1
479.32199	13.7
519.24164	1.9
535.16821	2.7
625.15118	12.7
625.38977	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	626.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.6
61.72782	0.9
61.98830	100.0
71.01381	2.9
71.56444	1.2
73.02935	2.1
75.00065	0.7
77.01987	0.8
83.01343	0.8
85.02917	1.6
87.00912	1.4
89.02438	1.2
101.02431	2.5
108.79009	0.7
117.03464	2.5
119.05019	1.3
135.04620	0.8
145.02966	11.0
151.00407	1.5
163.03995	1.4
163.06131	2.8
175.02553	1.0
202.28487	0.7
205.07224	1.9
213.05562	0.8
227.03474	17.3
228.03967	1.2
229.04921	0.8
241.05046	4.8
247.08052	1.4
255.02988	30.6
256.03513	4.3
256.07401	3.5
271.09665	3.7
284.03262	53.8
285.03885	10.5
307.08203	9.8
393.86142	0.9
563.14044	69.3
564.14349	9.1
626.24408	1.2
627.20752	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98831	100.0
71.01397	0.5
71.18973	0.2
73.02926	0.2
82.79650	0.2
85.02959	0.3
89.02466	0.3
101.02466	0.3
113.02420	0.3
121.02955	0.2
145.03061	0.3
162.15323	0.2
168.82414	0.2
256.07474	0.3
257.07800	0.2
272.10059	0.3
354.27319	0.2
380.51617	0.2
434.90472	0.2
519.24518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
61.98830	100.0
69.53645	0.2
71.01392	1.7
71.56512	0.3
73.02937	0.5
75.52893	0.2
78.91850	0.2
83.01384	0.7
85.02967	0.8
87.00908	0.2
89.02448	0.5
101.02447	1.6
113.02456	0.9
119.03567	0.2
119.04993	0.3
123.52379	0.3
125.02520	0.3
132.05943	0.2
143.03481	0.3
161.04543	0.2
187.04034	0.4
255.06590	0.2
431.58044	0.2
479.32007	0.4
545.29553	0.4
625.38397	0.8
626.38184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.98832	100.0
64.17603	0.2
71.01382	1.2
73.02941	0.3
83.01378	0.3
85.02995	0.4
87.04521	0.2
89.02477	0.3
98.20727	0.4
101.02453	0.4
113.02469	0.3
115.05554	0.8
115.49289	0.2
119.03549	0.3
119.05093	0.2
121.78882	0.2
122.73374	0.2
145.02991	0.3
161.06062	0.6
161.57576	0.2
187.04015	1.1
302.66086	0.2
463.32666	0.2
625.38037	0.2
626.37787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49212	0.2
53.03318	0.2
59.01374	1.2
61.98832	100.0
69.25364	1.6
69.25778	0.4
71.01406	0.3
71.81580	0.2
73.02953	0.2
76.07588	0.2
76.42626	0.2
85.37322	0.2
98.20580	0.5
113.02464	0.2
115.05517	1.2
117.07114	0.4
133.06616	0.6
137.33990	0.2
161.06076	1.0
163.03987	0.3
180.92705	0.2
187.04030	1.9
205.05231	0.4
256.07422	0.2
306.43649	0.2
370.01221	0.2
404.90652	0.2
417.15717	0.2
473.14920	0.3
563.21283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02967	0.1
59.01377	1.1
61.98830	100.0
70.65327	0.2
71.01379	1.0
71.56850	0.2
73.02952	0.2
83.01397	0.5
84.05131	0.2
85.02949	0.6
89.02448	0.5
95.01410	0.2
95.54393	0.1
95.55074	0.2
101.02460	0.8
101.42323	0.1
113.02461	0.6
121.02928	0.3
125.02477	0.5
127.98684	0.1
139.00458	0.2
143.49065	0.2
151.00414	0.2
161.04608	0.3
163.04010	0.2
179.05728	0.2
185.21831	0.2
187.02307	0.2
205.05234	0.2
221.06673	0.1
244.84178	0.2
284.03363	0.2
340.12302	0.2
343.56424	0.2
425.18457	0.6
455.19138	0.3
519.24744	0.2
626.37207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	36.0
61.98832	100.0
64.24874	1.4
66.04752	1.8
69.26374	9.2
69.26798	6.1
71.01384	17.4
73.02959	5.9
74.08838	1.6
78.83242	1.4
81.86918	1.7
83.01410	1.8
85.02946	8.5
89.02465	3.1
99.00864	2.4
101.02451	10.4
103.03996	2.3
106.15332	1.6
113.02433	8.9
143.03557	2.4
159.03058	2.4
161.04533	9.2
187.46498	1.8
234.32013	1.6
257.04028	1.8
271.06097	8.4
272.06345	9.6
286.08432	6.5
287.08807	7.7
301.10815	14.1
302.11145	17.6
321.11496	1.6
331.17551	3.4
353.90967	1.8
373.18710	2.3
387.73657	2.0
463.15598	2.2
464.16724	4.8
477.23438	35.5
478.23560	2.4
519.24451	44.4
520.25043	5.2
530.68182	1.8
627.04742	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	626.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.4
61.98831	100.0
62.93111	0.5
69.26575	5.7
69.26925	0.9
71.01376	4.5
73.02948	1.8
83.01396	0.7
83.84725	0.6
85.02963	2.9
89.02424	1.0
92.45768	0.7
99.00864	0.6
101.02439	4.0
105.98656	0.5
113.02457	2.0
143.03519	0.9
161.04582	3.2
191.42090	0.6
266.14609	0.6
306.50616	0.6
307.55341	0.7
313.16428	0.8
331.17670	1.8
458.44125	0.7
477.23444	9.7
478.23581	1.1
519.24457	18.3
520.25165	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	626.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	2.5
59.01385	39.9
61.98833	100.0
71.01381	17.9
73.02937	7.0
80.76053	1.4
83.01338	1.7
85.02962	7.6
87.00855	3.1
89.02459	7.2
98.20629	3.2
99.00882	2.1
101.02443	11.7
103.03974	2.2
113.02444	8.7
113.99464	1.3
119.03497	3.9
131.03474	3.7
143.03494	3.7
161.04550	5.2
163.06084	4.4
176.55867	1.2
186.29701	1.4
205.07185	5.0
221.06607	1.7
265.14569	2.4
331.17615	4.8
373.18576	4.1
477.23434	29.0
478.23651	3.9
484.87524	1.3
519.24463	24.7
520.24799	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	626.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	41.6
61.98828	100.0
65.72060	1.3
66.06020	1.1
69.03436	1.1
71.01382	17.1
72.99312	1.5
73.02940	6.2
74.93084	1.0
83.01393	3.4
85.02957	8.5
87.00864	3.9
87.16895	1.3
88.45745	1.3
89.02455	7.0
92.47562	1.2
97.02934	1.1
99.00875	3.2
99.04492	1.2
101.02439	10.3
103.04022	1.8
111.90054	1.0
113.02441	7.1
115.00324	1.4
119.03507	2.9
125.02414	1.6
131.03488	4.5
143.03506	3.2
161.04532	5.4
163.06113	4.3
169.44702	1.3
202.12181	1.3
205.07152	3.2
221.06561	2.0
247.08192	1.7
265.14352	3.1
294.67441	1.0
331.17685	6.6
373.18655	4.3
459.22903	1.8
477.23422	29.4
478.23672	2.3
519.24438	28.2
520.24615	4.2
600.07813	1.5
644.29681	1.1
645.25745	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91867	0.2
59.01383	1.6
59.53463	0.1
61.98830	100.0
62.98539	0.2
69.26991	1.6
71.01378	1.0
72.67380	0.1
73.02954	0.2
75.22043	0.1
85.02955	0.6
87.00936	0.2
88.98857	0.2
89.02476	0.2
99.00922	0.2
101.02459	0.9
111.49978	0.1
113.02460	0.6
114.73370	0.1
115.00393	0.2
156.21068	0.2
159.03003	0.2
161.04549	0.5
229.96588	0.2
331.17410	0.2
404.66946	0.1
477.23349	3.4
477.29724	0.2
478.23816	0.4
519.24701	0.3
627.26733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78034	2.0
51.84803	1.9
57.03436	2.6
59.01378	7.6
61.98829	9.7
63.91353	1.9
65.00323	4.9
71.01368	6.8
71.26392	4.3
72.99294	2.0
79.52385	1.8
81.03452	2.7
83.01389	7.9
85.02968	2.9
87.00877	6.1
88.98796	3.0
89.02438	5.8
93.03452	16.6
94.09229	2.1
96.58686	1.7
101.02407	5.1
105.01107	1.7
105.01943	11.7
107.01382	8.3
107.05038	2.8
109.02934	6.7
111.00872	4.4
113.02470	2.4
115.00369	2.0
117.03483	3.5
118.79963	2.0
119.03476	1.9
119.05011	7.5
121.02939	4.4
123.04534	5.5
125.02430	12.2
133.02940	8.4
135.00882	4.8
135.04475	2.2
137.02449	19.2
139.03990	2.9
147.04488	2.5
149.02411	8.0
151.00395	15.6
151.04001	9.6
152.01129	4.0
153.01952	4.7
159.04552	2.9
161.02435	5.0
163.00378	21.7
163.04004	4.4
164.01169	13.3
165.01959	12.4
167.03453	4.5
169.06560	1.9
176.00992	2.7
177.01924	85.2
178.02267	2.2
178.99869	4.6
179.03473	6.7
180.04195	2.7
183.04489	7.0
189.01993	10.7
190.02687	12.6
191.03406	4.5
193.01405	3.9
195.06485	3.6
201.05476	2.3
205.05238	2.1
206.99364	7.2
208.00046	3.9
209.04553	11.9
211.04021	2.9
213.05522	2.1
215.07068	2.7
221.04518	2.9
225.07542	2.2
227.03447	4.9
227.07172	5.5
229.05124	3.2
239.05569	5.6
245.04582	11.8
253.05011	3.7
255.02948	45.6
255.06569	6.9
256.03409	3.6
257.04538	9.8
273.04041	12.0
282.05414	5.3
283.02454	100.0
283.06058	44.2
284.02847	6.4
284.06198	4.3
285.07535	6.5
295.06061	6.5
297.07681	3.2
301.03522	15.9
301.07138	12.3
313.07169	45.3
314.07489	2.4
315.08713	16.5
343.08356	11.5
344.71381	2.1
385.09311	2.5
387.07224	6.0
403.10449	14.8
405.11508	3.1
417.08414	2.4
447.09268	2.0
485.49722	2.2
491.15793	2.9
609.14697	16.4
627.15497	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	627.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.0
59.01155	1.3
59.01385	17.5
61.98837	8.1
68.99792	1.5
69.03456	2.4
69.60991	7.1
71.01382	13.0
72.99294	1.9
73.02958	3.5
73.16443	1.4
81.03443	13.1
83.01380	17.8
85.02937	3.4
87.00864	3.9
88.98809	2.0
89.02441	10.5
93.03445	4.8
95.01377	6.5
95.05033	5.7
97.02941	6.6
99.00890	2.0
99.04520	6.0
100.78237	1.4
101.02454	7.8
107.01398	2.1
107.05080	3.1
109.02949	10.7
111.00874	2.7
111.04507	4.6
113.02469	7.6
119.03490	4.6
119.05004	2.2
121.02945	5.5
123.00880	2.6
123.04531	29.7
125.02452	36.7
132.02327	1.3
133.02966	26.8
135.04506	4.6
137.02460	16.6
137.06073	3.6
138.03178	1.6
139.04010	4.2
143.03528	1.6
147.04518	3.3
149.02425	2.3
151.00339	4.4
151.04002	7.8
153.05551	3.7
155.03526	2.2
159.04503	1.7
161.02518	2.8
161.04524	2.8
162.03201	2.1
163.00356	1.6
163.03986	3.9
165.01926	12.7
165.05516	5.7
166.02654	3.0
167.03493	51.7
167.04897	3.5
175.02446	2.0
175.03902	1.9
177.01964	10.2
177.05511	2.0
179.03506	14.9
179.05606	7.5
179.07069	2.8
180.04333	7.7
180.05727	1.5
181.04947	3.0
191.03497	4.2
193.05014	1.8
194.05751	1.8
195.06660	7.8
197.04544	13.0
203.03554	2.1
206.02203	2.5
207.06830	1.5
209.04544	100.0
210.05000	5.3
215.03700	1.7
219.03075	2.0
220.03766	2.6
221.04486	5.6
225.07643	3.2
233.04433	1.6
235.02425	6.4
239.05618	62.7
240.05936	3.5
245.04424	2.4
247.02466	2.7
251.05545	7.2
255.02980	10.0
257.04608	2.4
265.03506	1.7
269.06625	26.0
273.03983	3.7
277.03552	21.5
281.06683	5.2
283.02429	19.2
301.03595	2.0
307.04538	11.6
311.07809	7.8
329.08813	20.3
337.05609	2.8
337.09186	2.6
341.08804	5.7
359.09744	6.2
362.48331	1.5
387.07187	67.0
388.07486	4.8
397.07639	5.4
399.07263	2.7
407.62616	1.5
417.08295	36.5
418.08405	2.3
429.08173	1.9
431.11536	1.9
447.08948	7.6
449.12943	7.5
489.10376	6.5
491.15479	4.9
507.11411	22.2
508.11826	2.1
519.11285	1.5
537.11969	1.7
567.26392	4.1
609.14734	5.6
627.18176	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	627.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16594	1.7
55.01878	3.6
57.03442	6.0
59.01375	21.2
61.98833	13.7
68.99821	2.4
69.03457	5.3
69.59402	11.8
71.01383	91.7
72.99311	5.0
73.02948	25.9
75.00870	2.4
76.51141	1.6
78.22365	2.1
81.03456	2.8
83.01385	15.2
83.14095	1.7
85.02956	44.9
87.00858	4.3
88.47453	1.8
88.98796	10.2
89.02441	6.9
93.03429	3.0
95.01417	13.9
97.02950	9.6
98.20622	2.7
99.00916	14.2
101.02442	44.1
107.01346	1.9
108.02167	28.0
108.62080	1.8
109.02950	56.0
111.00880	2.3
112.28549	1.7
113.02455	47.2
113.03629	2.0
117.03429	2.1
119.03445	2.6
119.04967	2.1
121.02951	2.6
123.00887	7.3
123.04492	2.5
125.02448	49.0
127.00360	2.2
135.04510	2.0
137.02435	2.7
139.00400	5.0
143.03502	7.0
145.02939	4.0
148.39714	1.9
151.00354	8.4
159.02995	11.3
161.04552	100.0
165.01891	2.3
167.03522	2.4
169.01266	2.3
180.04218	2.7
183.33394	2.1
185.04526	3.6
193.01363	2.3
195.06631	5.0
205.03433	3.0
205.05099	2.9
226.40756	2.0
229.03494	20.0
241.61676	2.2
243.02928	2.9
253.07091	6.2
255.02986	5.5
256.03381	2.3
271.02359	4.8
271.08218	35.9
271.10947	2.7
272.02914	5.7
273.03232	3.2
283.02548	9.3
287.07800	7.3
300.02670	6.5
301.03271	11.5
302.03537	7.4
303.04141	5.5
339.07205	61.5
339.11334	3.0
340.07477	4.0
355.06680	39.9
464.08795	5.2
465.09488	8.3
609.14288	3.0
627.14893	8.0
627.29114	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	627.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57135	8.1
61.05237	7.3
64.90313	6.9
71.56193	8.1
72.99290	7.4
81.03474	16.1
83.01376	19.3
87.00880	8.0
90.50719	7.1
93.03467	30.4
95.01403	13.3
95.04994	9.7
96.96009	10.8
97.02948	13.7
99.04529	9.4
105.01951	13.3
107.05037	9.0
109.02950	17.3
111.04585	7.2
113.02478	11.0
119.05015	9.5
121.02987	23.9
123.04545	27.9
125.02456	67.5
133.02974	11.4
135.04523	13.1
137.02426	48.6
139.04004	9.3
147.04532	10.7
149.02467	23.4
151.00380	7.6
151.04021	21.8
153.01920	18.2
161.02406	9.1
163.00404	16.4
163.04018	18.4
164.01221	17.3
165.01888	29.9
165.05614	11.1
167.03523	67.7
176.01025	7.8
177.01935	73.8
179.03543	34.5
189.01942	10.4
190.02774	14.4
191.03467	16.5
193.01456	38.4
193.05052	9.7
195.02988	20.6
197.04547	17.2
205.01476	16.0
207.03090	16.9
209.04547	64.8
219.03014	15.5
221.04514	12.3
223.02493	14.6
235.02391	34.9
237.04074	17.7
239.05611	50.3
247.02501	19.5
249.04048	19.1
251.05449	8.4
262.15692	7.1
265.03439	48.1
267.05066	7.7
269.06528	36.9
277.03586	10.6
279.04968	14.8
283.06216	40.0
285.07559	7.8
295.04370	37.8
313.07217	80.6
325.05676	23.6
327.07309	9.3
345.05954	8.3
355.06750	8.7
375.07358	11.5
385.08011	15.8
387.07278	93.8
399.07449	15.6
417.08286	100.0
447.09589	39.1
447.14767	9.3
489.10397	29.6
507.11252	65.4
508.12039	8.6
519.11627	20.9
537.12451	23.1
627.15143	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	627.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.7
61.98833	9.6
71.01380	18.5
71.56075	4.2
73.02939	6.0
75.00889	2.4
80.77119	2.7
83.01377	6.4
85.02965	2.9
87.00872	29.4
88.82510	2.4
88.98822	6.7
91.01901	5.7
93.03472	3.4
97.02970	4.2
99.00913	6.5
100.01652	3.5
101.02476	3.4
109.02975	7.5
110.56355	2.4
111.00913	18.6
112.98841	5.4
113.02448	2.7
115.00399	4.5
121.02997	5.2
123.00893	8.9
123.04569	7.1
125.02459	9.8
130.02684	2.8
131.03500	2.7
133.02924	4.8
135.00919	10.4
137.02449	17.3
138.03210	3.2
142.99902	5.0
149.02473	10.2
151.00375	3.6
151.03990	5.6
153.01880	16.7
161.02472	7.1
161.44557	2.4
163.04041	5.7
164.01180	4.0
164.04845	7.6
165.00537	4.8
165.01926	100.0
165.05540	2.7
166.02725	12.5
167.03499	4.1
167.66888	2.6
171.55133	2.9
173.00958	13.0
174.01678	3.7
175.03917	3.6
176.04774	6.1
177.02052	3.8
178.06384	4.0
179.03516	26.0
179.07211	8.8
180.04283	61.3
181.05060	11.2
190.02859	2.9
191.03590	9.4
191.07224	4.5
193.08798	2.9
194.05804	14.8
195.02960	3.1
195.06642	81.3
203.03584	3.3
205.05022	4.9
209.08284	10.0
210.05350	13.6
211.06149	3.7
221.08211	8.6
225.07664	70.0
226.08063	3.2
229.55048	2.6
234.05363	3.3
244.17572	4.4
247.02727	3.2
249.07761	4.9
255.03004	6.4
261.04150	5.0
262.04971	7.1
265.07172	6.8
266.07944	3.9
273.03677	3.4
276.06445	4.1
277.07153	15.7
283.02567	8.8
291.09097	3.0
297.06171	9.4
300.02496	3.7
301.03506	4.0
302.04028	3.1
310.29846	2.7
322.07086	5.1
329.08954	3.6
337.09314	50.5
338.10010	3.1
342.10559	2.7
357.13474	7.4
399.14685	9.6
405.12073	10.0
443.13541	6.1
455.14395	2.6
465.09543	5.5
491.15671	25.6
503.16013	3.8
507.11606	3.3
521.16858	2.9
538.19318	2.7
563.18054	10.6
609.18927	18.3
610.18463	2.5
627.19537	97.7
628.20343	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	627.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09830	0.8
56.83189	0.9
57.03448	1.5
59.01377	5.4
61.98833	13.4
68.99807	1.8
69.03459	1.1
70.84400	1.9
71.01375	3.7
73.02946	0.9
75.00864	1.3
77.79790	0.9
81.03454	7.5
83.01384	6.0
85.02965	2.5
93.03467	2.1
95.01389	2.8
95.05029	4.2
96.96001	1.3
97.02939	4.0
99.00920	1.7
99.04517	2.4
101.02443	1.8
106.64796	0.9
107.05036	1.0
108.02194	2.7
109.02947	2.2
111.00902	1.1
111.04522	2.2
113.02477	2.0
119.04995	1.0
121.02937	3.9
121.06613	1.2
123.04526	12.5
124.04867	1.1
125.02447	11.3
134.03757	2.1
135.04536	6.0
137.02429	6.3
137.06082	5.1
139.04001	9.0
146.03766	1.2
147.04556	1.9
149.02400	2.2
149.06071	3.2
150.03212	2.4
151.03979	3.9
153.05580	2.1
155.33894	0.9
163.04039	4.0
164.04788	2.2
165.01959	3.2
165.05510	4.9
166.02705	2.8
167.03491	25.1
175.03958	1.1
177.01923	1.7
177.05562	4.5
179.03519	12.2
179.07050	1.4
180.04237	4.2
181.05054	2.3
189.05664	1.4
191.03471	3.2
192.04271	1.7
193.05023	5.4
194.05818	3.2
195.06522	1.5
197.04593	5.4
204.04218	2.3
205.05019	1.7
206.05756	1.0
207.02937	6.0
207.06503	1.6
208.03740	1.9
209.04536	24.0
210.04839	1.1
219.02986	1.8
219.06595	3.6
220.03726	1.1
221.04532	5.7
222.05170	1.6
223.06010	1.2
233.04572	1.2
236.03018	1.0
239.05542	9.2
250.04900	1.1
251.05608	4.7
259.09769	1.6
263.05719	1.7
267.37393	1.0
269.06689	2.5
275.05426	1.1
285.03903	1.4
302.08179	1.2
303.08752	4.2
315.08539	1.4
329.10138	1.0
341.46048	0.9
345.09723	15.1
346.10434	1.2
357.09738	5.3
365.70963	1.0
375.10867	5.7
375.14896	0.9
384.08337	1.0
385.09293	1.0
387.10825	100.0
388.11087	8.2
399.10764	4.5
411.32251	1.2
415.15817	1.0
417.11884	77.6
418.12341	7.1
429.11844	2.8
447.12936	23.1
448.13336	2.8
459.13016	1.7
471.13156	2.1
489.13995	9.3
507.14960	13.8
508.15506	2.1
519.14844	8.3
528.02936	1.1
537.16180	2.7
591.17212	1.2
609.18054	1.6
627.18561	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	627.2096
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
53.57681	0.4
59.01364	0.5
71.12907	0.7
71.13251	0.6
72.57114	0.5
73.02960	0.8
104.34243	0.4
137.68291	0.4
437.12216	1.0
438.12930	1.3
441.05981	0.5
451.14169	1.3
452.14890	4.3
453.15305	1.0
465.16083	0.6
466.16281	0.9
469.11542	0.7
479.17651	0.5
480.14603	1.4
481.15036	8.1
482.15469	1.4
484.13797	0.9
493.14810	1.3
494.16046	1.2
495.16727	16.9
496.17200	3.2
507.15967	0.6
508.18372	2.2
509.18005	1.8
512.13519	1.7
521.14502	1.3
523.15619	1.0
524.17535	0.6
525.14520	0.5
526.15527	0.6
535.16425	2.9
536.17090	3.3
539.15698	0.7
540.16785	2.9
541.17029	0.5
551.19379	43.0
552.19733	8.2
553.17224	0.6
554.17755	1.6
555.18591	1.0
568.16040	1.2
572.15350	2.7
583.22418	0.5
586.17084	2.0
595.18323	10.0
596.19366	2.2
627.20941	100.0
628.21240	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	627.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.99308	2.1
61.98810	3.0
71.01373	2.8
71.56854	2.2
77.11372	1.5
81.56722	1.5
88.98812	14.4
89.02443	6.5
94.09692	1.5
95.25942	1.6
97.01694	1.5
103.19048	1.5
104.99692	1.8
114.51145	1.3
137.02454	6.0
146.03758	15.0
151.03854	1.7
161.02484	1.9
161.06094	5.6
164.04778	9.9
165.01938	37.4
179.03535	12.8
179.07141	21.9
180.04283	24.4
194.05807	4.2
195.06630	49.5
196.06952	2.2
197.65935	1.5
210.05380	10.9
215.96385	1.7
225.07689	84.7
226.08005	3.4
271.02496	2.9
273.03030	2.0
299.02255	2.0
299.09259	3.8
301.02740	2.4
327.08734	11.2
342.11072	13.4
357.13440	53.3
358.13840	3.7
405.15533	21.6
406.15796	2.4
465.13303	2.1
466.20364	1.6
497.29767	1.7
553.93219	1.6
627.17419	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	627.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	57.3
61.98839	1.1
63.72919	1.5
65.48883	1.1
75.89005	1.2
88.58193	1.1
88.98808	2.5
93.03450	2.4
101.47038	1.6
119.12032	1.2
121.02957	3.7
122.03752	7.4
123.04496	1.5
142.72762	1.2
143.90211	1.2
145.49969	1.2
149.02434	25.0
150.03217	55.6
151.03621	1.3
161.02434	4.8
164.04810	8.1
165.05562	82.1
166.05896	3.9
166.90366	1.4
176.04799	4.5
179.03435	9.0
180.04327	7.4
194.05798	13.5
195.06610	100.0
196.06976	3.8
209.08174	40.6
210.08435	1.6
301.39291	1.3
342.11087	5.3
357.13388	42.4
358.13696	3.6
360.13660	1.4
405.15475	21.6
406.15924	2.3
622.10999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13108	0.2
59.01388	1.0
61.98833	100.0
71.01403	1.1
72.99332	0.2
77.30198	0.2
80.22847	0.1
80.91663	0.2
85.02978	0.3
88.98809	0.2
89.02457	0.4
93.32782	0.2
96.19188	0.2
98.19884	0.7
101.02456	0.5
112.33878	0.2
113.02524	0.4
119.03454	0.2
155.35037	0.2
161.04521	0.2
187.04193	0.2
196.29312	0.1
230.03027	0.3
241.05035	0.3
256.07489	0.7
271.09717	0.9
347.62070	0.2
433.15298	0.4
471.94211	0.2
561.29059	0.2
565.19220	1.2
594.30432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.5
61.98834	22.3
71.01376	3.4
71.56544	1.6
73.02935	1.4
75.16439	0.9
85.02938	1.2
87.00877	1.3
89.02452	2.7
101.02426	2.0
113.02470	2.0
119.03473	1.0
125.02445	2.4
127.00361	1.3
137.02525	1.2
139.00421	1.1
150.03242	1.9
151.94592	1.1
163.51553	1.0
165.01915	1.8
175.02399	1.0
181.05011	1.1
194.83644	1.1
211.04001	12.5
239.03482	17.6
239.49161	1.2
247.30214	1.3
254.05852	61.8
255.02986	2.0
255.06227	4.5
256.07333	1.5
269.08182	100.0
270.08496	5.4
284.03281	3.0
285.03970	6.7
431.13458	93.1
432.13742	11.3
447.09348	4.1
455.18964	1.7
485.20258	1.5
629.16199	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	629.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.5
57.03438	2.4
58.00591	1.9
59.01380	24.6
61.98837	4.2
63.17236	0.5
64.35427	0.5
66.12731	0.6
68.99822	8.2
71.01382	44.5
71.55601	0.5
71.56003	1.1
72.01722	0.6
72.99308	2.4
73.02948	17.3
76.08305	0.5
83.01389	6.6
85.02953	24.5
87.00867	3.7
87.04524	1.1
89.02447	9.9
95.01387	3.8
97.02946	1.7
99.00883	18.4
101.02444	27.9
102.02809	0.8
103.04017	2.5
110.06281	0.6
111.00931	1.2
113.02451	19.9
113.03243	1.0
119.03504	2.9
125.02407	1.4
129.01933	1.0
131.03474	1.4
134.94974	0.6
143.03482	3.4
145.05054	0.7
159.03004	4.4
161.04556	25.9
163.06088	1.7
179.05627	0.7
186.94949	0.6
205.03555	1.2
205.07166	1.2
207.04367	0.6
240.15491	0.5
240.59271	0.6
383.24402	21.6
384.24854	2.6
431.37222	0.6
529.30170	100.0
530.30463	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	630.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
60.50605	0.2
61.98832	100.0
71.01376	0.6
71.56112	0.3
85.02943	0.3
87.00898	0.3
87.82553	0.2
96.95986	0.4
99.37276	0.2
101.02429	0.3
123.04499	0.2
137.02495	0.3
150.03169	0.3
155.68549	0.2
163.06181	0.7
165.05553	0.7
166.05907	0.3
177.01849	0.2
187.78447	0.2
195.06657	0.5
250.73003	0.2
295.76190	0.2
431.13763	0.4
432.13818	0.4
542.68457	0.3
613.28058	0.3
630.14117	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	4.3
62.25963	1.3
66.08884	1.3
70.18974	3.1
70.19375	3.2
75.00867	5.7
82.92039	1.5
87.00858	1.4
99.00893	3.1
99.92583	12.8
115.00254	1.6
115.04005	1.7
116.07148	4.1
116.92861	100.0
116.97205	3.6
117.01945	8.6
117.05597	2.9
117.92842	4.6
129.78098	1.4
136.28137	1.3
144.90765	1.4
277.21936	2.0
329.30740	1.4
516.96338	1.7
631.38086	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	74.7
61.98833	100.0
65.26754	2.3
68.99557	8.2
69.43466	17.1
69.43874	4.8
71.01387	38.0
73.02950	11.9
73.05912	2.5
78.20158	2.5
82.95396	7.2
83.00302	2.9
83.01402	2.8
85.02956	14.4
87.00872	5.3
89.02441	8.8
95.01433	2.8
98.19958	6.1
99.00876	5.1
101.02448	24.9
101.66315	3.0
112.98555	4.6
113.02460	19.1
119.03506	4.9
123.04470	3.0
125.02455	6.6
143.03506	7.1
159.02977	3.5
161.04546	10.0
161.06024	4.5
163.06134	4.6
172.19904	3.0
179.05568	4.4
187.03967	3.7
198.69069	3.2
205.05125	3.3
205.06934	3.2
253.49321	3.7
333.20706	4.0
399.23877	11.9
461.23730	3.7
527.28400	4.6
545.29620	53.6
546.29730	4.5
587.30609	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	631.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13770	3.4
57.03445	4.4
59.01380	100.0
61.98830	95.8
71.01385	47.2
73.02940	15.5
73.92304	3.2
74.00410	4.0
83.01394	11.5
85.02967	24.1
87.00827	6.5
88.98830	4.3
89.02437	20.7
95.01437	4.3
98.20715	9.6
99.00880	7.5
101.02435	32.9
113.02441	23.8
115.00381	5.1
119.03497	5.7
123.93918	3.6
125.02442	10.1
125.75154	4.0
131.03513	4.0
143.03525	6.7
143.04822	3.2
159.02963	4.1
161.04526	11.6
161.06094	10.1
163.03966	3.9
163.06136	4.8
179.05621	7.8
187.04054	18.4
198.84175	3.7
205.04932	3.8
235.38503	3.6
289.12201	3.6
333.20718	4.6
399.23825	16.6
409.18491	3.8
426.08078	3.9
438.83759	4.6
487.21933	6.0
518.04553	5.0
527.28424	6.9
545.29688	69.9
546.30005	8.2
587.30865	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	631.334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	66.1
61.98829	23.9
69.21203	18.5
71.01389	37.2
72.99305	2.2
73.02956	10.7
83.01394	6.1
85.02949	14.6
87.00888	2.4
87.81123	2.2
89.02461	7.6
92.00881	1.8
95.01394	3.2
97.02969	1.8
99.00880	6.7
101.02444	19.8
108.08161	1.8
109.02932	3.6
113.02461	14.7
113.86198	2.0
118.41310	1.7
125.02426	2.5
128.65387	1.7
129.03049	1.9
143.03513	2.2
154.94165	1.6
157.00464	2.6
161.04507	13.1
161.05666	2.1
163.06015	2.9
169.88670	1.8
180.04193	2.5
195.06705	4.6
231.63094	2.3
383.24506	12.2
529.30170	100.0
530.30511	11.6
632.02808	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	631.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11507	6.4
60.83122	6.6
61.23140	8.7
61.98838	14.7
66.65947	6.5
70.02993	33.1
78.95921	11.8
152.99527	9.4
180.33902	7.1
183.10164	7.3
277.21765	100.0
278.22015	10.1
279.23239	8.2
415.22559	8.3
483.99734	7.2
516.84290	8.0
578.57715	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	633.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.2
60.01710	0.4
61.98839	0.5
63.59967	0.3
68.51245	0.4
69.32888	2.8
71.01384	4.9
72.99331	0.4
73.02953	1.8
83.01392	0.8
85.02944	2.6
87.00893	0.7
89.02450	2.9
91.05534	15.2
92.05858	0.5
95.01396	0.9
101.02447	5.2
113.02448	6.2
115.05542	5.9
117.07108	58.7
118.07437	2.1
119.03516	2.0
133.06604	3.8
135.04514	1.1
143.03493	1.1
143.05002	0.5
149.04573	0.8
161.06078	100.0
162.06436	3.9
163.04027	1.8
179.05580	0.6
179.07109	0.7
187.04002	17.4
188.04373	0.7
205.05055	84.0
206.05353	3.8
221.06673	1.0
223.06082	2.3
284.30145	0.3
341.12320	0.9
385.11212	0.8
427.12439	46.2
428.12756	5.3
445.58527	0.4
471.26846	0.4
633.18304	4.2
634.19067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
59.01382	17.1
61.98826	4.9
63.36893	0.5
69.87393	2.4
71.01385	9.9
72.99300	0.6
73.02934	2.5
75.00870	0.6
79.66176	0.6
79.84219	0.5
83.01386	1.6
85.02959	7.7
87.00889	1.9
88.98822	0.6
89.02417	2.8
91.05542	12.1
95.01384	2.4
101.02447	6.9
113.01777	0.4
113.02452	15.1
115.05539	6.1
117.07111	56.6
117.48605	0.5
118.07436	1.9
119.03511	1.6
123.04484	0.6
131.03548	0.9
133.06625	7.0
135.04501	1.5
137.02486	0.5
143.03529	1.9
149.04530	2.0
161.06081	99.8
162.06445	4.6
163.03984	2.7
179.03217	0.7
179.07112	0.9
187.04013	17.8
188.04335	1.1
205.05064	100.0
206.05415	4.3
221.04729	0.6
221.06735	1.8
223.06128	3.1
240.68639	0.6
356.78400	0.6
383.13654	1.5
427.12451	44.7
428.12851	3.1
433.89044	0.6
513.30768	2.5
633.18201	14.7
633.39923	1.3
634.18646	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.4
57.03449	0.6
59.01380	16.4
61.98834	6.4
69.25384	0.6
69.25790	3.4
69.43023	0.4
71.01378	6.3
73.02961	2.5
74.84845	0.4
83.01382	1.1
85.02956	3.2
87.00890	1.2
88.98795	0.8
89.02441	3.0
89.02917	0.5
91.05534	9.4
91.76160	0.4
95.01392	0.7
99.00852	0.4
101.02439	6.1
113.02449	6.6
115.05532	6.8
116.05869	0.4
117.07105	51.6
118.07445	1.5
119.03501	2.2
123.04486	0.4
125.02467	0.5
131.03474	0.6
133.06595	3.5
135.04517	1.1
143.03477	1.2
143.05035	0.6
149.04543	0.8
161.06073	100.0
162.05138	0.6
162.06410	3.6
163.03987	1.7
179.05547	0.6
187.03999	18.0
188.04375	1.1
205.05049	79.7
206.05370	3.5
221.06616	1.3
223.06065	2.2
341.12164	0.6
385.11453	0.5
427.12430	47.9
428.12808	4.7
461.23907	0.9
474.63480	0.4
595.12024	0.6
633.18170	4.5
633.27850	0.6
633.40118	3.0
634.18201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.6
61.98831	1.6
70.11468	0.5
71.01383	5.9
71.03705	1.2
72.99315	0.7
73.02953	1.8
83.01395	0.9
85.02961	3.1
87.00878	0.7
88.98809	1.2
89.02449	2.5
91.05528	11.0
95.01405	1.0
98.01029	0.5
101.02451	6.8
113.02438	5.3
115.05543	6.3
117.07104	52.9
118.07442	2.0
119.03516	1.8
131.03476	0.5
133.06606	3.6
135.04518	1.1
143.03505	0.9
149.04544	1.0
161.06075	100.0
162.06387	4.1
163.04008	1.7
179.05708	0.7
187.04001	17.3
188.04340	0.7
205.05051	79.6
206.05383	3.8
221.06595	1.4
223.06105	1.8
296.66025	0.6
341.12540	0.6
385.11258	0.6
427.12439	45.1
428.12711	4.5
574.40784	0.6
633.18207	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	633.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39809	2.4
59.01368	8.1
60.05456	2.3
61.98828	5.5
62.38817	2.7
62.96772	2.5
75.00849	3.7
78.11405	2.2
83.05058	2.7
99.92591	13.1
116.07119	2.8
116.92870	100.0
116.97219	3.4
117.01906	3.5
117.92899	2.9
183.10233	3.4
204.29408	2.4
224.53630	2.7
230.31720	4.3
369.64178	2.6
632.39844	2.9
633.40485	11.2
648.41406	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	633.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05963	2.6
58.76363	2.4
59.66457	2.8
61.98825	12.5
71.55901	5.3
73.02958	3.1
75.00867	6.6
78.95889	4.3
89.84293	2.7
99.92596	11.3
100.67012	2.5
116.07148	4.6
116.92869	100.0
116.97224	3.2
117.01958	7.2
117.92872	6.0
126.28619	2.8
196.03693	2.9
317.36127	3.0
356.91928	2.6
621.85498	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	634.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62305	0.8
61.98838	5.4
71.55838	1.3
78.95913	11.1
82.01407	1.1
95.14655	0.9
103.51051	0.8
107.20331	0.9
116.97115	0.9
140.01175	3.3
146.96701	0.9
147.42723	1.1
155.14435	1.0
181.12376	1.5
196.03839	1.5
199.13393	100.0
200.13725	5.8
255.23276	33.2
256.23523	2.6
260.01593	1.0
266.43393	0.9
452.27823	4.5
465.82111	1.1
469.17953	1.0
549.18939	2.2
550.20642	1.0
633.99371	1.1
634.41003	13.0
635.41376	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1619
Annotation	Fujikinetin 7-O-laminaribioside
Peak:m/z	Relative Intensity
57.01891	0.8
59.01390	6.7
61.95555	0.8
61.98828	8.2
69.80527	3.8
71.01377	4.0
72.99292	1.4
73.02958	1.5
75.00861	1.3
81.45042	0.7
83.01385	1.0
85.02939	1.5
87.00865	1.1
87.48182	0.8
89.02445	2.4
91.05590	0.8
93.03447	2.4
98.20610	1.6
99.92580	2.2
101.02429	3.5
105.01958	8.0
107.61411	0.7
111.85143	0.7
115.87624	0.7
116.92866	20.2
117.03452	7.7
117.92884	1.4
119.05009	2.5
120.22581	0.9
123.62565	0.8
124.09588	0.7
135.04538	4.1
137.02405	0.9
145.02931	1.8
146.21088	0.8
147.04518	1.4
149.02397	1.4
154.99754	0.9
159.04546	1.5
161.02408	3.4
163.03984	3.2
165.01952	0.9
165.05573	1.5
174.01733	0.8
175.02582	1.5
175.03970	3.1
177.01993	0.9
177.05551	2.2
179.03444	1.6
179.05557	1.3
187.03915	1.3
189.01974	1.0
191.03503	2.6
197.06046	1.0
203.03531	2.4
223.07526	0.8
227.03473	0.8
253.08765	0.9
267.06610	1.0
268.07388	1.3
279.06738	0.9
281.04453	1.8
282.05292	2.7
283.06122	3.4
284.03073	1.0
293.04514	2.1
293.07895	0.8
294.08917	1.3
295.06143	5.9
296.06860	3.5
297.07690	21.9
298.08063	1.4
307.05838	4.2
309.07690	2.8
309.11075	1.1
311.05490	4.5
321.04138	1.4
323.05539	5.2
324.06116	1.0
325.07037	8.6
328.05841	3.1
335.05566	6.0
336.06042	1.0
337.06949	3.8
353.06671	39.2
354.07065	2.9
355.08170	1.5
356.05228	1.7
365.06720	11.0
383.07672	20.9
384.08176	1.7
395.07687	2.6
413.08768	2.1
425.08676	1.1
455.09747	7.4
473.10822	7.9
485.10629	2.2
515.12036	9.4
545.12952	3.4
575.14166	7.1
576.14551	1.2
635.16144	100.0
636.16425	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	635.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
60.17242	0.4
61.98834	10.5
63.02391	0.6
65.00319	0.5
65.46452	0.3
70.55344	1.3
73.02922	0.5
74.99653	0.3
81.43853	0.4
83.01379	0.5
85.02945	0.5
87.00834	0.4
96.96014	0.9
101.02428	0.4
107.01395	1.8
108.02154	0.4
109.00589	0.3
121.02944	0.5
123.00875	0.5
124.01689	0.5
125.02463	2.0
132.02176	1.0
133.59840	0.3
135.00900	1.1
137.02354	0.5
145.02940	0.5
149.99605	0.9
151.00386	3.3
152.01225	0.5
163.00331	1.0
164.01151	0.5
168.00607	2.5
169.01323	0.5
175.00491	0.4
178.99847	1.7
183.04509	1.5
187.03999	0.6
200.04651	0.7
211.04010	2.3
213.01994	0.4
213.05630	0.5
227.03490	41.4
228.03831	2.6
229.05019	1.2
239.03429	1.0
241.05035	0.4
246.53926	0.3
255.02980	73.8
256.03510	8.1
257.04581	0.9
283.02350	1.8
284.03259	100.0
285.03864	14.3
286.04358	0.7
313.05795	0.4
327.05090	0.7
331.06708	3.9
399.05521	0.9
471.09186	1.4
489.10312	0.5
520.43988	0.4
525.18585	0.4
575.13916	0.7
635.16168	57.4
636.16431	9.2
636.25903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54689	0.2
59.01369	0.8
61.98827	2.2
63.02391	0.4
65.00334	0.5
65.77841	0.2
69.39126	0.9
69.39549	0.9
83.01371	0.4
89.02438	0.3
95.20929	0.2
98.20628	0.4
107.01409	1.3
113.02422	0.2
116.92906	0.2
117.03424	0.3
132.02164	1.2
135.00887	1.0
137.69507	0.2
138.02826	0.2
139.68829	0.2
151.00369	2.6
163.00369	0.8
164.01097	0.5
175.02443	0.3
178.99898	1.2
183.04477	1.1
185.02402	0.5
185.06110	0.5
187.03972	0.9
190.99806	0.3
195.04564	0.3
199.04031	0.4
200.04767	0.3
211.03995	2.2
212.04489	0.3
213.05562	0.3
227.03490	44.8
228.03860	2.8
229.05026	0.9
239.03464	0.8
240.04243	0.2
241.04906	0.2
255.02977	80.3
256.03522	8.1
257.04468	1.4
283.02518	1.7
284.03244	100.0
285.03857	13.8
285.06598	0.2
286.04391	0.5
309.04099	0.6
327.05017	0.7
411.07080	0.3
466.79044	0.2
471.09207	1.4
473.10492	0.5
482.54654	0.2
489.10480	0.5
575.13788	0.4
593.15265	0.4
635.16144	61.3
636.16492	8.6
636.27118	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46463	0.5
59.01373	2.5
60.04683	0.6
61.98811	0.8
63.02392	0.6
65.00343	1.1
69.52499	2.2
69.52922	2.0
74.48183	0.6
83.01424	0.6
85.02972	0.7
96.85839	0.6
107.01394	2.5
113.02473	0.5
132.02213	1.7
133.03029	0.5
135.00880	1.4
135.69313	0.5
137.52640	0.5
140.96864	0.5
147.00920	0.6
151.00385	4.1
159.04477	1.2
163.00406	1.2
171.04460	0.8
183.04532	2.5
185.02386	0.8
185.06158	0.8
187.03938	1.6
211.03981	2.2
213.05559	1.0
220.30324	0.7
227.03493	42.6
228.03752	2.8
229.05067	3.3
255.02977	86.4
256.03519	9.4
257.04495	2.4
268.03687	0.6
269.04605	1.1
283.02499	12.9
283.05652	0.5
284.03244	100.0
285.03964	42.0
286.04355	2.1
327.05096	0.6
506.04446	0.6
575.14069	13.2
576.14154	1.5
593.15057	1.0
635.16119	75.3
636.16321	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	635.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.8
61.98829	3.1
65.00320	0.4
70.77657	0.3
71.01376	1.9
72.99305	1.2
77.16653	0.4
83.01399	0.6
85.02983	0.6
88.98807	1.0
89.02424	0.9
91.05518	0.4
95.01383	0.4
97.66364	0.4
101.02451	1.0
113.02453	1.3
115.00362	0.8
115.05525	0.7
123.04532	0.4
125.02457	0.4
133.06581	0.5
133.48854	0.3
139.52429	0.3
141.07127	0.6
143.05011	1.3
145.02908	0.6
145.28273	0.4
151.00493	0.4
153.07065	0.4
155.04898	0.4
161.06123	0.4
163.03940	0.4
167.05023	1.2
169.06569	1.5
171.04527	1.6
173.06032	1.0
175.02470	0.9
181.06558	0.5
183.04590	0.4
185.06075	0.7
187.03973	1.2
188.86740	0.4
195.04469	1.5
197.06119	2.6
198.06366	0.4
199.03976	0.7
205.05092	0.4
211.04002	44.2
212.04385	2.7
213.05569	5.4
225.05515	1.9
227.03497	0.8
229.64493	0.5
239.03494	38.8
240.04135	6.9
241.05038	4.8
253.05119	0.5
268.03763	22.5
269.04541	100.0
270.04922	6.0
284.03003	0.5
285.04025	0.5
293.04657	1.0
311.14011	0.6
337.07681	0.7
395.07529	0.7
412.17508	0.4
491.16168	0.4
575.13843	2.6
593.15234	2.8
594.15900	0.6
635.16132	31.0
636.16565	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
57.03449	49.9
57.57165	0.9
59.01380	52.4
60.01730	1.3
60.99304	1.3
61.98827	14.7
69.03461	1.3
71.01380	33.0
72.99302	3.7
73.02941	12.6
75.00864	2.0
79.41621	1.0
81.03452	3.3
83.01403	4.6
83.05066	0.9
85.02948	17.6
87.00865	3.5
88.98808	3.9
89.02444	8.1
95.01385	2.9
97.02937	1.8
99.00867	4.4
99.04020	0.7
99.04514	30.3
101.02439	31.5
103.04028	1.8
111.33341	1.0
112.01629	1.4
113.02457	16.5
115.05520	1.5
116.92851	1.5
119.03497	2.6
125.02448	19.9
125.09777	5.4
129.19740	0.9
131.03494	1.8
143.03491	4.5
145.02924	1.5
145.05058	1.1
153.09251	1.3
159.03000	2.9
161.04561	16.5
161.05948	1.2
163.04074	1.0
163.06093	1.4
165.05482	1.0
174.01619	1.3
175.02484	1.9
179.05586	1.2
183.13893	25.9
187.03961	3.2
205.07230	1.0
205.12228	1.1
211.04007	1.7
235.11949	1.9
237.73373	1.0
239.03441	2.0
254.05780	4.2
255.02940	1.7
269.08185	4.9
271.75415	0.9
279.16019	2.2
285.04105	2.3
303.10754	1.2
307.47177	0.9
308.92392	1.0
345.19153	12.2
346.19458	1.3
367.17554	1.0
387.20230	4.4
389.17999	1.0
399.16577	1.3
413.21881	2.3
425.81180	0.9
431.13367	1.3
437.23752	0.9
473.23990	3.2
491.24960	100.0
492.25314	8.7
533.26044	19.7
534.26306	2.1
573.29010	2.2
593.64313	1.2
599.30939	1.0
635.29657	12.5
636.29919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36516	0.5
57.83749	0.5
59.01378	4.0
60.99309	15.3
61.98829	2.8
71.01379	2.0
71.56115	0.5
71.56485	0.7
73.02964	0.7
75.00860	0.8
83.01404	0.7
85.02971	0.9
87.00871	0.9
88.00417	0.5
88.98809	100.0
89.02450	9.4
89.99128	0.6
91.05523	0.7
96.25026	0.5
101.02441	1.9
113.02447	1.4
115.05540	2.6
117.07089	0.9
123.04449	0.6
161.04659	0.5
161.06090	1.8
163.04010	1.5
165.05569	0.5
174.01634	0.7
187.04031	5.8
188.04378	0.6
396.79059	0.6
463.30920	0.5
473.14914	0.6
566.32770	0.7
567.33447	3.8
635.31842	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.37165	1.4
57.03445	13.8
58.00582	1.8
59.01381	97.2
60.01711	1.5
61.98831	20.0
71.01383	32.0
71.56162	1.5
72.99308	2.4
73.02950	14.1
83.01376	5.0
83.05025	6.9
85.02963	13.7
87.00874	3.6
88.98819	2.6
89.02438	11.5
91.05534	3.3
95.01391	4.0
95.05052	2.0
97.02919	2.2
99.00862	3.7
101.02448	15.9
112.98595	1.3
113.02436	18.4
115.05540	11.4
116.92818	1.7
117.03402	1.4
117.07123	9.9
118.07433	1.8
119.03494	3.0
122.70659	1.3
123.04498	3.5
125.02423	2.5
125.06083	2.9
129.38077	1.3
133.06635	2.2
134.76826	1.4
136.05284	4.5
138.06874	7.2
139.07646	1.9
143.03510	1.9
143.04979	1.6
145.02934	2.6
145.10226	1.9
147.08163	1.5
149.04561	1.5
149.38060	1.3
150.03247	3.0
151.07645	8.3
152.08429	11.9
153.09218	32.8
161.04570	8.2
161.06078	16.5
161.09709	2.9
162.06413	3.9
163.03955	4.4
163.06679	2.9
163.11307	6.6
163.90308	1.2
165.05515	1.8
165.09111	1.6
177.05562	1.3
179.05659	1.6
187.04010	15.8
187.11317	3.6
188.04384	2.6
195.06497	1.6
205.05023	7.4
205.12325	39.1
206.05341	5.3
206.12703	3.3
207.05629	1.5
207.10263	35.9
208.10655	2.2
223.13425	18.7
227.03526	8.2
249.11308	3.9
255.02950	11.4
256.03458	1.8
267.19711	1.7
284.03268	14.7
285.03860	6.4
367.17590	21.6
368.17984	3.1
385.18640	8.2
427.12524	1.4
427.19672	5.4
428.12726	3.5
429.13211	3.6
473.14587	1.5
575.11646	2.5
617.29816	6.3
628.36212	1.4
635.14807	7.7
635.30762	100.0
635.41254	5.8
636.14606	2.3
636.31104	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	635.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58599	16.6
61.98826	22.9
71.56218	25.5
73.65909	16.2
81.57260	15.5
86.80943	15.9
116.92868	42.0
136.14104	17.0
208.13759	17.2
220.24614	17.4
232.66603	17.4
279.23303	75.3
280.23618	100.0
313.62524	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	635.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23115	0.6
55.01880	3.4
57.03442	3.0
58.00608	1.8
59.01382	29.4
59.78036	0.6
61.98832	13.8
69.03448	0.7
71.01381	34.0
72.99316	3.0
73.02944	16.1
75.00896	0.6
83.01384	9.5
85.02950	25.4
85.03458	1.3
87.00895	3.5
87.04528	1.0
89.02434	4.5
95.01406	2.6
97.02969	1.9
99.00879	5.8
99.04507	0.8
99.92866	0.7
101.02447	29.3
103.04000	3.1
105.01974	1.5
106.94186	0.6
111.00879	4.9
113.02450	13.1
119.03510	2.1
122.79666	0.6
125.02441	1.1
129.01962	1.4
131.03488	1.3
141.01918	0.8
143.03508	2.3
156.31647	0.7
158.68901	0.7
159.03014	2.0
161.04520	4.8
163.06157	1.8
205.07143	0.9
210.71552	0.9
268.39597	0.6
297.28036	2.3
308.97183	0.8
309.27936	0.8
327.29053	1.4
407.92487	0.7
459.33130	1.6
471.33392	3.6
489.34332	100.0
490.34695	12.8
605.38611	0.8
635.40125	76.7
636.40430	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	635.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.1
57.03444	3.2
59.01112	2.5
59.01383	39.2
61.98826	20.1
66.24480	1.6
69.18292	13.6
71.00999	2.8
71.01385	43.0
72.99297	4.1
73.02937	19.0
79.30906	1.7
83.01390	11.0
85.02950	28.7
86.00114	2.6
87.00851	3.8
89.02456	7.1
94.22237	1.4
95.01375	3.4
96.93622	1.3
97.02935	3.1
99.00879	7.7
100.39269	1.5
101.02441	35.1
103.04006	2.9
111.00877	6.5
113.02463	17.0
115.05554	2.9
119.03500	2.4
125.02401	2.2
129.37248	1.4
143.03470	2.6
151.63730	1.5
159.02985	2.0
161.04532	5.1
161.05911	1.6
163.03996	3.7
163.06187	1.8
174.41614	1.4
187.03989	4.5
205.07216	2.4
314.47617	1.5
327.29105	1.9
361.10635	1.6
471.33261	3.7
489.34302	100.0
490.34601	11.1
635.40118	92.9
636.40363	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	635.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.1
57.03444	3.2
59.01112	2.5
59.01383	39.2
61.98826	20.1
66.24480	1.6
69.18292	13.6
71.00999	2.8
71.01385	43.0
72.99297	4.1
73.02937	19.0
79.30906	1.7
83.01390	11.0
85.02950	28.7
86.00114	2.6
87.00851	3.8
89.02456	7.1
94.22237	1.4
95.01375	3.4
96.93622	1.3
97.02935	3.1
99.00879	7.7
100.39269	1.5
101.02441	35.1
103.04006	2.9
111.00877	6.5
113.02463	17.0
115.05554	2.9
119.03500	2.4
125.02401	2.2
129.37248	1.4
143.03470	2.6
151.63730	1.5
159.02985	2.0
161.04532	5.1
161.05911	1.6
163.03996	3.7
163.06187	1.8
174.41614	1.4
187.03989	4.5
205.07216	2.4
314.47617	1.5
327.29105	1.9
361.10635	1.6
471.33261	3.7
489.34302	100.0
490.34601	11.1
635.40118	92.9
636.40363	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	635.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01388	2.5
71.42367	1.2
89.02448	3.4
101.02392	1.1
108.48722	0.6
113.02438	1.2
119.03516	1.9
179.05661	0.7
196.36073	0.6
274.89142	0.6
494.66202	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.0
61.98837	3.7
62.92862	1.9
66.72443	1.5
68.99583	2.2
71.55680	1.7
78.95905	3.0
108.71603	1.6
112.98537	3.8
141.05089	1.5
199.13353	12.2
200.13664	4.9
236.47096	1.5
240.99945	1.6
255.23256	4.1
256.23743	2.8
279.23279	100.0
280.23566	7.2
302.92386	1.9
344.59979	1.8
448.71823	1.5
528.40814	1.6
633.45563	1.6
635.41437	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	636.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.98825	0.9
71.55509	0.3
73.02949	1.4
78.95882	0.3
94.30894	0.3
99.92578	7.7
100.92581	0.4
112.23143	0.3
112.81516	0.3
116.92861	100.0
116.97244	4.0
117.01936	3.4
117.92874	4.0
119.05029	0.4
122.02486	0.4
257.08200	0.4
257.52682	0.3
279.23196	0.9
387.09225	0.3
486.30994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65434	1.1
54.06207	1.0
58.02974	9.6
59.01381	1.2
69.47603	2.5
69.48019	6.1
70.02985	5.0
72.00927	3.4
80.87724	1.2
88.00584	1.0
88.98802	3.5
91.05527	4.0
124.57247	1.2
124.81895	1.0
130.28879	1.2
147.04524	17.1
149.94695	1.0
164.07162	51.1
165.07512	2.1
171.17216	1.1
206.08212	100.0
207.08492	2.8
542.46948	1.3
545.08881	1.3
570.84167	1.2
654.66119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01100	0.5
59.01376	6.5
60.99309	0.4
61.98832	2.2
69.58041	1.6
71.01380	2.1
72.99306	3.1
73.02940	0.5
75.00873	29.1
81.03432	0.6
83.01387	0.5
85.02951	0.7
87.00864	0.6
88.98813	1.3
89.02443	5.5
99.00898	0.3
100.96557	0.3
101.02445	0.3
113.02452	0.5
116.92872	0.8
117.01979	1.8
123.04530	2.4
125.02426	0.5
135.02998	100.0
136.03319	1.9
161.04579	0.2
161.06078	0.3
165.05519	0.2
166.02719	2.4
167.03484	3.8
181.05060	7.6
187.04002	0.3
196.60750	0.3
213.05553	2.2
223.06187	0.3
241.05066	5.2
255.02977	0.3
255.06718	0.4
256.07407	12.4
257.07803	0.8
271.09744	13.3
272.10092	0.8
355.10400	0.3
357.13211	0.4
433.15131	0.3
475.15933	3.2
489.16135	2.2
637.17761	3.9
637.33099	0.5
638.18457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03414	0.9
58.00591	1.5
59.01380	42.6
61.98830	4.3
71.01383	26.4
72.99301	3.7
73.02930	0.9
75.00885	1.0
78.22247	0.7
83.01388	1.7
85.02945	5.5
87.00893	1.4
88.98816	1.1
89.02445	24.3
95.01378	1.0
97.02940	0.8
99.00856	0.8
100.98513	0.6
101.02444	20.5
113.02448	10.9
119.03500	16.0
131.03477	1.2
143.03442	1.6
149.04465	1.4
161.04549	2.5
166.22723	0.7
178.02776	0.9
179.05588	2.6
191.59566	0.7
212.04839	1.3
213.05569	23.6
214.05884	1.3
227.07161	0.8
240.04259	1.6
241.05064	51.3
242.05376	2.5
255.06609	9.4
256.07404	100.0
257.07718	6.2
270.08917	3.1
271.09741	99.8
272.10135	7.2
357.26321	1.0
415.14044	2.1
433.14847	0.9
475.16049	12.7
476.16470	1.0
519.31769	5.4
577.19171	2.8
580.63983	0.9
595.20276	8.7
596.20819	1.2
631.18402	0.7
637.21460	33.9
637.34052	3.6
638.21869	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	637.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43538	0.2
59.01378	1.6
61.98829	3.3
63.22135	0.2
71.01395	0.6
71.19051	0.4
75.00885	0.7
85.02963	0.2
88.98848	0.2
89.02441	0.4
97.02949	0.2
101.02487	0.3
113.02477	0.2
119.03461	0.2
171.69591	0.2
180.65799	0.2
213.05563	13.7
214.05907	0.8
240.04279	0.2
241.05057	38.4
242.05408	2.2
253.05020	0.3
255.06569	1.6
256.07401	79.1
257.07739	5.2
269.08185	0.4
270.08957	0.5
271.09741	100.0
272.10095	7.2
284.03339	0.4
285.04028	0.9
313.10812	0.3
391.56561	0.2
415.13956	0.9
433.08905	0.3
433.15039	9.5
434.15155	1.2
475.16064	13.4
476.16437	1.4
575.14215	0.5
623.39917	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.6
60.99310	15.6
61.98833	0.5
70.57404	1.5
71.01392	1.8
73.02922	0.8
83.01374	0.7
85.02941	1.2
88.95136	0.4
88.98809	100.0
89.02455	0.5
89.99152	0.5
101.02430	2.2
110.03154	0.5
113.02437	1.3
161.04532	0.9
161.37120	0.5
284.03394	0.5
315.18277	1.2
461.23843	8.3
462.24536	0.8
503.25006	7.8
504.25864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93218	1.1
55.01867	1.6
57.03452	2.1
58.00581	2.1
58.02967	4.0
59.01381	40.6
60.99303	2.1
61.98833	4.6
70.02969	1.5
70.99614	1.0
71.01382	42.7
71.04721	3.0
72.99290	2.9
73.02940	17.8
79.21357	1.1
81.03470	2.0
83.01392	6.0
83.05057	1.0
85.02951	19.8
87.00871	5.5
87.71633	1.0
88.98805	21.2
89.02452	21.6
91.05518	1.6
95.01397	4.3
96.95995	1.6
97.02956	1.9
99.00893	5.4
99.04515	2.2
99.92577	1.4
101.02444	32.5
102.02862	1.2
109.02944	3.6
113.02449	18.6
116.92854	1.7
119.03516	8.0
125.02457	2.9
127.03997	3.0
131.03525	1.3
136.75743	1.0
143.03502	5.0
145.05040	4.4
147.04527	5.1
159.02959	2.4
161.04538	15.7
164.07152	16.4
167.03471	1.7
175.02518	1.5
179.05617	5.6
191.02005	1.6
206.08203	26.4
207.08652	2.0
269.10233	21.3
270.10730	1.3
307.10355	4.6
308.55881	1.1
354.14493	1.2
379.14182	2.8
415.16095	35.6
416.16360	3.7
481.93179	1.2
577.21368	100.0
578.21692	10.7
609.38696	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	37.9
58.00597	1.6
59.01381	61.5
61.98831	38.4
71.00999	2.7
71.01379	44.1
72.75566	1.3
72.99296	3.6
73.02940	5.3
75.00824	1.4
77.63345	1.3
81.03472	1.3
83.01408	2.4
85.02945	10.8
87.00859	3.1
89.02444	40.8
94.68748	1.2
95.01378	5.5
98.19901	5.9
99.00880	1.5
99.04530	15.2
101.02447	30.5
110.59457	1.3
113.02440	21.8
117.03478	3.2
117.78507	1.2
119.03497	16.8
119.04938	2.4
123.04524	1.5
125.02442	14.0
131.03473	2.1
134.03709	1.4
143.03474	4.8
145.02950	7.1
152.01118	2.9
161.04547	6.1
163.04008	2.3
167.03505	7.0
179.05623	7.4
190.85982	1.4
197.05685	1.3
229.96878	1.5
297.11154	1.6
307.08176	3.7
331.17773	1.9
337.06235	2.0
456.10187	1.9
457.10507	2.9
475.12219	5.5
475.21875	39.2
475.28732	2.1
476.21906	2.1
493.22903	100.0
494.23224	8.5
535.24005	9.4
575.26691	1.6
576.13745	1.7
577.14587	4.2
637.27112	15.0
638.27655	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	637.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
57.03436	1.6
59.01379	11.5
61.98833	13.8
65.67484	0.4
69.03436	1.2
71.01382	9.7
71.45042	0.8
72.99299	1.2
73.02953	5.2
73.57351	0.4
75.00869	0.6
83.01376	1.7
85.02948	6.1
86.00101	0.6
87.00871	2.7
87.04501	0.9
89.02422	3.8
95.01387	0.8
97.02910	0.5
99.00867	1.5
101.02449	6.8
103.03998	1.0
111.00895	0.5
113.02460	4.2
115.04005	1.4
119.03524	0.7
131.03520	1.9
143.03554	2.1
143.80533	0.4
158.81682	0.4
161.04553	1.1
175.02487	0.4
187.04024	0.5
205.07100	0.9
237.95395	0.4
262.40170	0.4
265.25342	5.4
267.23288	0.9
311.25949	8.2
312.26190	0.7
329.27014	0.9
378.96817	0.5
401.23215	0.6
491.32190	4.8
619.31299	1.7
637.38049	100.0
638.38391	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	637.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12319	0.5
55.01878	1.1
57.03433	0.9
59.01380	10.0
61.98831	11.9
70.96587	1.3
71.01380	11.0
72.99285	1.2
73.02940	4.4
73.81751	0.5
83.01375	3.0
85.02953	6.8
86.00030	0.8
87.00887	2.2
88.98811	0.5
89.02452	1.3
95.01374	1.3
99.00870	1.6
101.02439	9.7
111.00865	0.9
113.02454	3.5
115.05534	0.7
123.04519	0.5
125.02429	0.9
131.03529	0.8
161.04527	0.9
231.13896	0.8
243.73436	0.5
281.24823	1.1
283.26413	0.8
329.26938	1.6
366.43604	0.5
401.23532	0.6
445.31598	0.7
473.31097	1.1
491.32224	9.1
492.32281	0.6
606.68652	0.6
619.30768	0.6
637.38116	100.0
638.38470	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	637.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88604	1.7
53.91604	1.5
55.01868	3.7
57.03443	5.5
59.01384	40.4
61.98828	14.5
65.04011	1.6
69.03470	1.8
71.01383	43.0
71.55389	2.2
72.99300	2.7
73.02949	16.1
83.01382	10.2
85.02950	25.6
87.00861	5.4
88.01209	1.9
88.98788	2.7
89.02438	7.1
95.01383	4.7
99.00879	5.7
101.02436	33.0
103.04029	3.4
107.44434	2.0
111.00879	5.0
113.02446	14.2
119.03518	2.5
125.02433	2.6
125.09762	3.4
140.01802	1.7
159.02969	1.9
161.04552	7.2
186.74149	1.7
187.14870	2.4
209.11749	2.3
213.12833	2.2
231.13878	7.4
264.47916	1.9
283.26483	3.4
329.30542	3.9
383.22275	4.6
401.23337	7.6
428.16324	1.7
491.35883	100.0
492.36072	14.3
619.31165	28.4
620.31555	6.0
637.32080	18.9
637.41626	82.4
638.32684	3.9
638.41998	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	638.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
61.98831	100.0
69.41552	0.7
69.41961	2.4
71.01392	2.0
72.99316	0.9
73.02943	0.7
74.27247	0.3
75.00865	4.4
83.01399	0.5
83.62809	0.4
85.02953	0.8
87.67328	0.3
88.98824	1.4
89.02444	1.3
98.19853	0.6
101.02456	1.3
107.01407	0.9
109.02917	0.4
113.02469	0.7
116.92857	0.9
119.03564	0.4
125.02406	0.4
130.02989	0.4
132.33614	0.3
134.06140	0.6
145.03038	0.4
145.32387	0.3
151.00372	0.8
153.06743	0.3
159.04536	0.6
161.04474	0.4
163.00342	0.5
174.01936	2.1
185.06090	0.6
187.03990	0.7
211.04044	0.7
227.03499	7.8
228.03969	0.4
229.05017	2.6
239.03476	0.4
241.05031	0.4
255.02983	11.7
256.03430	1.8
256.07483	0.6
257.04633	1.4
257.07486	0.4
283.02502	0.3
284.03250	13.3
285.04034	41.7
286.04422	2.6
292.58844	0.4
293.09412	0.6
321.08844	2.0
501.15176	8.4
504.00189	0.4
561.29449	0.9
562.29333	0.6
575.14032	17.6
576.14197	1.9
639.21954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14946	0.4
59.01377	5.6
61.98830	100.0
71.01383	2.4
73.02940	3.2
83.01392	0.6
89.02460	0.7
90.80843	0.5
91.05547	3.9
98.19875	1.4
101.02451	1.7
108.02304	0.5
113.02459	0.7
115.05570	2.7
117.07107	30.0
118.07489	0.9
133.06566	0.9
161.06079	50.4
162.06418	1.8
187.04004	3.7
205.05049	41.4
206.05498	2.2
229.21034	0.6
239.45641	0.6
307.49683	0.5
383.13654	0.6
469.13480	40.4
470.13882	3.9
478.23947	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69655	1.2
52.53404	1.4
59.01389	11.3
61.98830	100.0
70.26955	1.2
71.01378	4.9
71.56364	2.0
73.02946	1.7
77.89021	1.4
85.02956	4.1
86.41140	1.4
88.65083	1.4
89.02466	1.7
91.05536	4.2
101.02457	2.3
113.02447	4.3
117.07108	37.1
125.02492	1.5
161.02432	1.9
161.06084	61.3
162.06436	3.0
166.25212	1.2
187.04092	1.7
205.05061	44.6
206.05402	2.1
265.82480	1.5
313.31097	1.3
469.13489	64.0
470.13788	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	639.1567
Annotation	Rhamnetin -gentiobioside
Peak:m/z	Relative Intensity
59.01384	3.0
61.98831	11.8
63.02411	0.7
65.00332	1.7
69.37005	3.3
69.37424	2.0
72.30997	0.7
73.02944	0.9
83.01393	1.2
85.02961	0.9
87.00864	0.8
89.02448	1.4
91.05897	0.6
93.03457	1.4
99.00908	0.7
101.02433	1.0
107.01410	2.1
108.02219	0.8
113.02448	0.7
123.04566	1.1
137.02477	0.6
139.04050	1.1
151.00377	6.1
153.01933	0.8
159.04520	0.9
163.00386	2.0
164.01141	0.9
165.02029	1.0
175.02449	1.2
178.99786	1.3
183.04564	1.1
187.04010	0.9
195.90036	0.7
199.04073	3.3
205.05104	0.8
211.04099	1.5
213.05525	1.1
215.03563	1.9
226.02701	0.8
227.03447	5.4
229.05103	3.6
239.03508	1.1
241.04739	0.7
242.02170	4.3
243.02971	26.3
244.03542	3.0
255.02977	14.9
256.03555	1.6
257.04572	7.4
259.06052	0.7
269.04453	1.5
270.01764	4.4
270.04440	1.0
271.02466	37.1
272.03076	3.7
283.02499	2.5
284.03262	2.8
285.04047	56.1
286.04492	6.1
287.05582	1.5
297.04086	0.8
298.98560	1.5
299.01938	20.5
300.02740	29.1
301.03207	1.9
313.06906	0.7
314.04358	23.7
315.05090	100.0
316.05350	5.3
353.08746	0.7
367.04669	4.1
447.09164	0.7
459.12930	1.0
473.76236	0.9
519.15118	0.9
531.11536	2.1
535.27783	1.1
639.15668	46.4
640.16187	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	639.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.7
61.98833	20.7
68.99794	0.5
69.03461	1.9
69.71917	0.5
71.56866	1.1
72.59187	0.6
72.99301	0.9
73.02950	1.6
83.01408	1.2
85.02954	2.2
87.00912	1.1
88.98816	1.5
89.02459	2.3
93.03503	0.9
95.01381	2.9
97.02966	1.3
99.00890	0.8
101.02427	2.8
107.01434	0.7
107.05022	3.2
108.02186	1.0
113.02470	2.2
114.51990	0.6
115.00355	0.5
116.92891	0.5
119.03513	1.0
121.02946	2.3
123.00888	18.5
123.04507	1.4
124.01669	38.8
125.02460	25.5
126.02871	0.9
134.03848	0.7
135.04517	1.6
137.02412	3.3
139.04039	1.5
149.02429	1.8
149.99590	55.2
151.00227	2.6
151.04013	1.3
152.91536	0.6
160.01611	0.9
161.02444	0.9
161.04730	0.5
163.03996	1.4
165.05606	0.8
166.02718	0.7
166.99908	0.8
167.03473	1.4
168.00648	93.9
169.01302	6.3
175.02493	0.9
175.03935	1.0
179.03499	7.1
191.03503	1.0
193.05006	1.1
211.04163	0.6
233.04675	0.8
245.00604	0.5
255.03073	0.7
269.06726	2.2
284.03470	0.9
285.03983	1.6
286.04517	0.6
346.50458	0.5
362.06824	0.7
459.11478	8.0
460.11523	0.8
472.61774	0.6
493.10071	1.0
577.16144	0.7
621.13898	0.8
630.68549	0.6
639.15631	100.0
640.15979	14.7
663.04785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71883	1.2
55.01869	1.9
57.03448	1.5
59.01107	1.7
59.01377	25.2
61.98824	15.2
66.33867	1.2
69.36013	10.2
71.01384	21.7
73.02966	6.6
75.00878	2.2
83.01386	6.9
85.02954	10.4
87.00871	4.2
89.02474	9.3
93.03478	10.0
95.01369	3.1
98.19919	2.6
99.00876	3.3
101.02450	16.1
109.02995	2.2
113.02436	11.7
119.03476	3.9
119.05003	5.4
121.02934	2.8
123.00893	1.9
123.04510	1.6
124.01648	5.6
125.02454	1.9
131.03453	2.0
133.06564	1.5
134.07103	1.3
135.04459	2.0
137.02435	7.2
139.04018	6.1
143.03505	2.0
145.03036	1.5
145.05075	1.9
147.04527	2.4
149.02454	11.5
151.00322	2.0
159.04520	2.4
161.02411	4.0
161.04572	11.8
161.05940	2.3
163.04007	13.2
166.02705	7.5
167.03392	1.8
171.04517	1.2
173.02376	2.1
175.00325	1.5
175.02475	2.6
175.03835	2.9
177.05424	2.8
179.03465	1.7
179.05594	3.8
181.05103	11.9
187.03935	2.7
189.01913	4.5
189.05550	5.7
190.02711	4.7
191.01726	2.1
191.03502	38.7
195.06619	2.0
201.05603	1.7
203.03526	13.7
204.04190	3.0
205.05099	12.5
205.06924	2.4
215.03593	2.2
217.05099	5.0
219.03021	1.6
219.06535	1.6
221.04454	1.9
221.06616	2.1
223.06041	2.2
227.57501	1.3
231.03001	2.1
231.06671	1.9
232.03758	1.7
233.04555	51.5
234.04846	2.9
245.04500	12.5
247.06104	4.0
263.05475	10.9
263.07794	1.6
269.10294	3.2
269.90085	1.6
275.05588	11.2
279.08728	1.9
297.07700	6.8
297.78079	1.6
305.06586	2.1
307.10480	1.8
323.09586	1.8
331.17468	1.8
337.09146	4.0
339.08731	100.0
340.08911	5.1
351.08826	2.3
353.10083	1.6
367.12662	3.1
369.09799	48.4
370.10013	3.9
381.09796	36.5
382.10007	3.1
383.11520	2.1
387.10657	5.6
399.10898	4.3
402.13184	3.0
411.10913	13.7
417.15582	25.6
418.15817	2.2
429.12140	2.8
441.11890	11.5
459.12964	39.3
460.13214	4.2
470.65588	1.5
477.23245	4.9
483.12631	2.0
489.14197	10.6
501.14346	1.7
519.15240	6.5
531.15192	2.3
579.16931	3.8
639.19019	4.5
639.28741	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	639.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03443	2.2
59.01108	1.3
59.01379	19.4
61.98832	14.4
63.05630	0.8
65.03951	2.5
67.06348	0.8
68.67617	0.7
71.01004	1.1
71.01385	18.2
72.99292	2.5
73.02951	4.4
81.03448	1.4
83.01371	2.8
83.05029	4.7
85.02944	6.2
85.06561	1.3
86.00103	1.5
87.00877	5.7
89.02446	9.7
91.05581	0.9
95.01366	1.9
95.05052	1.0
97.02941	1.8
97.06570	3.8
99.00874	1.3
99.96667	1.0
101.02443	12.3
107.05028	1.1
109.06582	2.3
111.00882	0.9
111.08134	2.8
112.38480	1.0
113.02457	7.8
115.05429	1.1
115.69092	0.8
119.03515	1.3
119.04992	1.9
123.08115	2.2
125.02419	1.9
125.09726	13.1
133.05022	1.1
133.06590	1.4
135.08171	1.2
137.09665	1.0
143.03531	1.7
145.05025	2.8
161.04526	3.6
161.05920	1.3
163.11247	1.6
171.10272	44.6
172.10574	2.4
181.25133	0.9
185.11867	1.9
187.04041	1.2
187.09734	1.1
187.14851	1.8
201.12871	1.9
205.15955	4.0
207.13881	1.7
209.11818	14.6
209.56265	1.0
211.13394	15.8
215.14377	10.2
216.14699	0.9
221.15393	2.1
229.25735	1.0
229.27953	1.0
231.13794	3.0
233.15453	34.9
234.15715	1.8
235.08189	8.9
247.17078	2.1
249.14948	22.8
250.15407	1.6
251.16420	1.9
253.09294	6.1
262.04697	1.0
323.23651	1.2
331.26355	4.1
341.24786	6.1
357.24188	1.3
359.26050	1.9
367.22818	5.0
375.25366	5.4
385.23822	28.2
386.24310	3.0
393.26559	1.7
399.25473	1.2
399.97778	1.0
403.24875	35.2
404.25003	4.2
407.19183	1.9
421.25870	11.1
422.26242	2.3
475.86423	1.0
485.23441	1.7
603.03485	1.2
611.34204	3.4
613.47363	1.0
621.32758	100.0
622.33154	18.9
639.33771	41.1
640.34100	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	639.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.66375	0.4
57.03439	1.2
58.00594	2.1
59.01382	36.9
61.98833	2.5
69.03448	1.9
69.18690	4.6
71.01383	35.8
72.99312	2.8
73.02943	5.8
74.37027	0.5
75.00856	0.7
81.03451	1.6
83.01379	4.5
85.02954	7.5
87.00878	8.9
89.02446	35.4
91.04024	0.8
95.01369	2.6
97.02956	7.4
97.93967	0.4
98.19842	0.8
99.00872	2.0
99.04517	0.6
101.02445	31.2
102.02804	0.5
109.02951	0.6
111.04482	0.5
113.02452	15.2
115.04028	0.9
119.03510	11.1
125.02453	12.1
126.02791	0.7
127.03993	0.5
131.03502	1.5
133.05023	1.1
134.06145	1.3
139.03995	1.1
141.01941	0.6
143.03511	6.2
149.04510	1.3
157.05034	0.6
161.04556	7.8
167.03528	0.7
169.05176	0.5
170.42097	0.4
171.02980	0.5
179.05623	6.5
181.05214	0.5
185.04512	0.6
199.06096	1.0
200.16232	0.4
205.88959	0.4
211.13327	1.0
214.63351	0.5
217.07109	0.7
219.05118	0.5
221.06644	2.6
235.05777	0.6
235.08217	15.3
241.21727	100.0
242.22076	6.4
242.42638	0.5
245.06680	0.8
253.09315	3.6
255.23198	0.6
263.07803	1.4
263.66406	0.4
277.09210	1.0
287.07742	3.5
293.18463	0.6
304.44580	0.4
305.08762	4.1
313.11914	0.9
323.09879	2.2
379.12396	0.7
380.10184	0.5
387.14828	0.4
397.13507	81.4
398.13885	5.8
415.14557	30.8
416.14935	2.2
531.32404	0.5
588.85004	0.6
605.34546	1.1
621.45966	0.5
639.34424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99701	0.4
53.92211	0.5
55.01877	1.1
57.03441	0.8
59.01106	0.8
59.01380	11.2
61.98833	7.2
64.90262	0.5
71.01010	0.6
71.01385	11.2
71.19322	1.1
72.99297	1.1
73.02942	2.3
75.00891	0.6
83.01399	1.4
85.02950	3.4
87.00874	1.3
87.57546	0.6
89.02438	4.4
95.01379	0.8
99.00864	1.0
101.02435	5.1
111.00850	0.6
113.02461	3.1
119.03466	1.1
119.05031	0.8
145.02904	1.7
162.66307	0.5
219.13112	0.5
223.06100	1.3
297.24283	3.6
315.25381	10.0
316.25507	0.6
341.26953	0.5
357.26520	0.7
359.28046	1.5
360.28281	0.6
459.29581	6.8
460.29855	0.8
477.21249	1.7
477.30606	15.1
478.30692	2.3
521.33350	4.9
621.35016	1.1
639.35950	100.0
640.36304	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	639.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20179	1.1
53.08782	1.1
59.01382	18.3
61.98832	46.3
62.10006	1.2
62.35674	1.2
69.19918	10.8
69.20335	1.9
71.01382	17.7
72.99294	2.1
73.02939	4.0
74.02479	6.0
75.00877	2.7
83.01379	3.6
85.02926	6.2
87.00859	5.3
88.98776	3.1
89.02435	5.7
89.76627	1.2
98.67425	1.2
99.00881	1.8
101.02449	8.1
111.00893	1.3
111.83685	1.2
113.02431	5.6
116.92915	1.7
119.03498	2.5
121.02935	1.9
125.02411	2.6
135.04510	1.6
137.02357	1.5
140.40057	1.4
151.00340	1.2
151.04013	2.5
163.03889	1.6
187.03961	2.2
223.05994	3.4
231.16220	1.3
281.06622	1.6
297.24423	2.6
315.25461	8.5
380.36124	1.2
446.76865	1.2
457.55673	1.2
459.29706	8.1
473.14697	1.2
477.30637	16.5
478.31143	1.8
639.36084	100.0
640.36481	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	640.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.58890	0.3
69.54051	1.1
69.54462	0.8
93.83598	0.4
98.89597	0.3
100.95040	0.3
107.01399	0.5
138.78941	0.3
151.00421	0.5
151.22577	0.3
157.33766	0.3
220.22826	0.3
227.03510	11.3
228.03941	0.5
229.05042	0.4
239.03546	0.4
255.02979	19.2
256.03543	2.2
284.03250	32.9
285.03909	6.1
389.32895	0.4
389.83624	0.4
504.82309	0.4
577.15601	38.1
578.15796	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	640.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.6
59.66105	0.9
61.98831	57.1
69.73627	3.1
69.74061	2.5
71.01383	3.6
72.88155	0.9
72.99300	1.1
73.02928	1.2
73.40986	0.9
78.36968	1.1
85.02943	1.3
88.98813	2.7
89.02441	2.1
93.03498	0.9
93.14498	0.8
101.02448	2.3
104.85231	0.9
113.02474	0.9
117.03473	7.5
119.05093	1.8
120.93681	1.0
131.01367	1.1
134.28978	1.2
142.77199	1.1
145.02925	1.4
161.02420	1.4
173.02454	3.8
175.00333	6.8
175.02522	1.7
179.03409	1.1
251.48853	1.1
269.04611	2.8
281.04614	2.5
282.05444	3.7
283.06094	3.2
288.41171	1.3
293.04550	100.0
294.04965	5.8
311.05536	10.4
323.05664	1.4
335.05511	1.4
341.06680	2.9
358.18695	0.9
413.08762	33.7
414.09122	2.7
457.11292	2.7
577.15594	77.6
578.15936	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	640.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29640	0.2
54.03400	0.2
59.01373	1.4
61.98831	100.0
62.98514	0.2
64.74124	0.2
71.01034	0.2
71.01389	0.8
88.15482	0.2
89.02450	0.4
93.78509	0.2
98.20652	0.4
101.02472	0.4
112.86768	0.2
213.80058	0.2
241.00810	0.2
241.05083	0.4
242.05461	0.3
254.05811	0.7
256.07404	1.4
257.07858	1.0
269.08160	0.7
271.09744	1.5
272.10110	1.2
315.25467	0.4
365.87210	0.2
417.15775	0.8
418.15762	1.7
477.31067	0.4
478.31326	0.2
577.19330	1.7
578.19855	0.3
628.81519	0.2
639.35919	2.1
640.36243	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	640.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	11.1
59.01371	7.7
61.98831	100.0
65.66692	1.9
71.01374	6.3
73.41798	1.6
86.38372	1.6
88.98780	3.2
89.02450	1.7
96.83146	1.7
98.20787	2.3
101.02423	5.2
113.02431	2.6
115.05546	6.5
116.92827	4.3
123.04504	1.7
129.65326	1.6
161.06059	1.8
166.54938	1.6
167.80360	1.9
187.03986	7.1
205.05040	2.8
211.13544	2.2
213.05580	6.9
218.59671	1.8
241.05067	27.1
242.05392	1.8
256.07413	66.4
257.07736	6.9
271.09744	99.6
272.10037	7.1
327.05035	5.8
390.30441	1.8
433.15030	41.7
434.15289	3.6
461.15811	2.0
475.16415	10.5
584.88226	1.9
593.75641	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	640.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30181	1.5
57.45205	1.3
58.02986	11.3
58.88434	1.5
59.01381	3.6
61.98835	32.2
70.02982	4.6
71.01379	5.3
71.27795	2.9
72.00906	1.7
73.02943	1.8
73.27466	1.5
80.06319	1.5
83.01377	1.6
85.02972	1.7
87.00911	2.7
88.98242	1.4
88.98792	4.1
91.05532	2.1
101.02411	3.8
103.00337	1.7
103.66994	1.7
112.98785	2.3
113.02453	1.9
123.04525	5.9
125.02406	2.6
137.02422	2.1
138.15602	1.6
147.04529	25.1
161.04552	4.4
164.07164	57.1
165.07539	1.9
167.03551	2.3
175.02505	1.9
175.03934	2.1
195.75807	1.5
206.08217	100.0
207.08534	6.1
250.07416	1.8
271.02383	1.9
301.09598	2.2
396.81577	1.7
401.08298	1.9
521.12878	2.4
522.19806	1.5
634.83405	1.9
641.17310	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	641.1721
Annotation	Brartemicin
Peak:m/z	Relative Intensity
57.03448	2.9
59.01388	2.3
59.03904	1.1
61.98829	2.2
65.93942	1.1
68.99805	2.3
69.03438	2.3
71.01385	5.4
71.56606	1.9
72.99332	1.2
73.02952	2.8
75.25819	1.0
81.03449	15.4
83.01389	14.4
85.02968	3.0
89.02466	1.1
93.03465	2.7
95.01389	4.7
95.05019	8.7
96.96091	1.4
97.02954	12.1
99.01072	1.0
99.04516	8.6
107.05038	2.1
109.02956	4.7
111.04544	4.1
113.02447	3.6
113.06078	1.4
119.05058	1.5
121.02959	7.0
121.06627	2.2
122.03726	1.3
123.00896	2.8
123.04530	35.7
123.05379	2.4
124.01668	1.4
125.02449	42.3
127.89053	1.2
132.02147	1.8
135.04515	6.1
137.02449	13.7
137.06093	5.0
138.03221	1.8
139.03973	6.0
146.89880	1.3
147.04507	5.2
149.02428	3.3
150.03230	1.2
151.04019	7.7
153.01947	1.5
153.05585	4.6
155.03532	2.3
163.00473	1.8
163.04019	3.1
164.01193	1.3
165.01898	2.2
165.05574	7.2
166.02751	1.9
167.03499	63.7
168.03827	1.6
177.05544	2.0
179.03503	14.4
181.05020	2.5
182.58037	1.2
191.03494	4.8
193.05052	3.2
195.06540	2.5
197.04553	18.1
197.91039	1.1
206.02094	1.4
207.02965	1.9
209.04552	100.0
210.04918	4.1
221.04530	5.7
223.06067	2.0
233.04544	1.4
239.05597	86.2
240.06015	4.0
251.05475	5.7
269.06662	37.1
270.06888	1.5
281.06693	3.8
311.07712	7.7
329.04971	0.8
329.08725	22.8
341.09033	6.1
359.10025	6.1
401.08762	45.7
402.09131	3.0
413.09042	2.5
414.08389	1.3
431.09799	36.1
432.10370	2.7
449.12976	7.0
461.10953	10.8
479.19559	1.2
503.11667	7.5
521.13013	16.3
522.13202	1.6
533.12738	3.5
551.14063	3.6
641.17499	8.3
642.18280	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06969	1.4
55.01893	1.3
59.01377	6.7
61.98830	94.8
69.19626	13.3
71.01395	7.0
73.02954	2.6
74.90606	1.1
77.34299	1.2
78.50023	1.2
83.01385	1.5
85.02956	5.7
87.00883	1.5
88.98813	3.6
89.02471	3.2
93.03444	1.3
95.01393	1.7
96.96012	4.7
98.20700	2.8
99.00901	1.2
101.02442	2.6
102.49808	1.1
102.52688	1.1
108.02178	7.4
108.04557	2.6
109.02969	11.8
113.02453	1.9
123.00906	2.2
124.01653	4.1
125.02469	2.8
129.01880	1.3
135.04480	2.0
149.99602	5.7
150.03218	1.7
160.04071	5.9
162.05620	1.2
168.00616	7.6
169.01093	2.5
170.01163	1.6
179.03433	2.1
188.03552	5.2
204.03044	1.7
210.05670	2.4
211.05130	1.7
211.08765	2.4
212.07425	14.0
214.03918	1.4
218.04608	4.4
225.04095	2.2
225.05875	1.8
226.03871	5.8
226.07458	2.0
227.08180	6.2
238.08745	3.9
239.04623	1.4
239.06116	1.5
239.08279	5.4
240.05135	16.9
241.06261	12.4
241.09836	1.7
250.07515	1.7
251.08308	2.2
252.05470	1.7
253.06018	3.0
254.03331	1.6
254.07051	4.1
255.07739	38.3
256.08246	4.6
257.08191	26.8
265.06732	1.5
265.09879	4.4
266.07986	8.3
267.04214	6.2
267.07822	16.2
267.11258	3.0
268.04846	3.7
268.08383	1.9
269.09338	7.2
278.07025	4.1
280.04935	10.2
281.05750	4.4
281.09387	14.2
282.02936	5.7
282.06064	2.3
283.07257	25.0
283.10593	2.0
285.04306	2.5
293.06241	2.4
293.09229	10.5
294.06778	6.7
295.07245	31.8
296.07730	2.4
299.06842	1.6
309.08832	32.2
310.09326	4.0
311.10434	7.8
315.09851	42.3
316.10098	2.7
319.07306	1.8
327.09879	17.7
337.08301	83.3
338.08667	6.1
355.09470	3.6
369.10904	36.5
370.11301	3.7
387.11899	1.4
419.13498	13.4
609.08801	1.3
609.17218	89.9
610.17523	14.7
641.19904	100.0
642.20087	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	641.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.3
59.01384	8.9
60.99300	2.4
61.98832	58.4
62.73413	0.8
71.01389	6.3
72.99322	1.4
73.02933	2.6
81.03464	1.4
83.01382	3.8
84.50687	0.7
85.02937	1.7
86.04475	0.7
87.00827	0.8
88.98813	23.2
89.02413	4.1
91.05528	1.6
93.03476	1.1
95.01391	1.7
96.96043	1.2
99.04525	1.2
101.02444	4.5
113.02459	3.4
116.92898	1.3
117.07151	1.0
121.02969	1.2
123.04576	1.1
125.02476	3.9
131.03386	0.8
133.06587	15.1
137.02438	1.6
145.02942	2.2
151.00380	2.6
157.01410	0.9
161.04587	1.9
161.06023	1.6
163.04012	4.2
167.03468	2.6
177.05518	2.1
179.05656	1.0
193.01314	1.3
195.06641	1.1
205.01294	0.8
213.05574	7.7
223.06081	3.4
229.05269	1.1
237.07599	0.8
241.02602	1.9
241.05069	34.7
242.05336	2.4
253.07127	1.4
256.07416	82.4
257.07782	4.4
259.06131	2.4
269.04501	1.9
271.09760	100.0
272.10129	6.4
285.04123	1.0
287.05453	1.8
296.07010	0.8
300.02777	1.6
309.07584	0.9
339.12302	2.3
345.05859	1.2
410.37457	0.9
433.15036	62.6
434.15506	5.1
454.06610	0.9
488.78046	0.9
592.80054	0.9
641.15149	1.4
641.37994	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	641.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.9
61.98828	13.0
71.01385	2.7
80.19022	0.7
83.01368	0.8
85.02953	1.6
89.02424	1.3
89.24989	0.7
91.05527	0.9
101.02424	2.0
113.02445	1.9
115.05573	3.0
116.92864	0.8
125.02443	1.2
132.02130	1.0
133.06551	0.8
143.03552	0.7
151.03993	0.9
160.01669	2.8
161.06081	2.0
163.03990	1.6
163.06114	1.6
175.02434	1.0
187.04047	6.5
253.05092	0.9
255.06609	1.3
256.07291	1.6
269.08215	0.8
271.09772	1.4
298.08621	1.5
305.08231	0.6
316.07440	1.2
317.08069	1.0
317.21225	1.3
327.06711	1.3
328.07349	1.1
333.07599	1.2
341.08078	1.2
343.09723	1.1
345.07550	1.3
348.09753	0.9
355.06274	1.1
357.07645	4.9
358.08380	1.9
359.09512	1.3
360.09998	2.7
361.07373	1.1
369.07288	0.8
371.09207	2.7
372.10062	1.8
373.07126	1.7
375.08673	1.0
376.09470	1.8
385.07266	1.1
386.07898	1.3
387.08725	2.8
388.09521	2.4
389.06564	1.3
391.11786	2.5
398.07980	0.8
399.08835	4.5
400.09503	10.4
401.10278	5.6
402.10809	0.8
403.11893	1.1
404.08945	4.3
413.10214	1.8
414.11011	5.2
415.06482	1.4
415.11862	26.9
416.13086	6.8
419.11395	12.5
420.11615	2.1
429.13516	2.7
430.14523	6.5
431.11057	21.3
432.11697	2.3
433.12802	0.8
434.13660	21.4
435.14001	1.7
445.12851	2.4
446.13773	7.3
449.16013	33.7
450.16470	3.8
461.16034	100.0
462.16422	13.0
473.14529	1.5
479.16959	4.7
577.17157	1.3
592.19489	3.4
611.21399	10.1
612.22052	1.2
623.21210	10.3
624.21796	2.1
641.22009	6.2
642.22778	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55548	0.7
57.03441	0.9
59.01384	7.3
60.00946	0.7
61.98589	0.7
61.98831	9.2
63.19941	0.8
71.01386	6.8
71.35451	1.1
72.64279	0.6
76.59969	0.7
78.07301	0.7
82.87622	0.7
83.01394	0.8
83.05047	1.7
85.02936	1.8
85.24944	0.9
87.00835	0.8
89.02446	4.9
101.02437	5.4
111.08115	1.3
113.02441	2.4
131.03371	0.8
137.09738	0.9
137.81308	0.7
146.99307	0.9
161.04599	1.1
170.91272	0.8
177.74939	0.9
183.13902	7.1
193.12288	1.8
211.13391	100.0
212.13731	4.7
229.93265	0.8
235.08157	1.1
239.16452	1.5
241.18108	1.1
253.09270	6.5
267.19452	1.0
275.16592	1.1
313.25443	1.1
315.26938	2.5
325.25354	4.3
341.24872	1.8
343.26474	3.8
351.23407	0.9
359.25879	2.3
361.27417	3.8
369.24313	5.1
387.25455	11.0
388.25754	1.3
405.26474	22.7
406.26746	3.1
447.22412	6.0
479.30527	0.9
609.23706	1.4
623.33972	2.3
641.35419	84.5
642.25818	1.4
642.35718	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	641.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
59.01382	6.9
61.98836	2.8
71.01392	4.8
72.78902	0.5
73.02932	0.6
83.01408	0.5
83.05043	1.4
85.02959	1.4
85.24908	0.5
86.99841	0.4
87.00876	0.7
89.02454	3.8
95.01418	0.5
95.05014	0.6
98.19840	1.0
101.02447	5.0
103.23432	0.5
109.06644	0.7
111.08179	1.1
113.02449	1.9
119.03526	0.6
131.17184	0.5
133.06590	0.5
135.08141	0.6
137.09708	0.9
137.51624	0.5
145.02982	0.5
157.12296	0.5
161.04543	1.8
167.14365	0.7
183.13898	6.6
187.03949	0.6
193.12350	1.7
211.13388	100.0
212.13731	5.0
213.15038	0.9
223.13382	0.7
231.17622	0.8
235.08235	1.5
239.16595	1.2
241.18074	1.3
247.13356	0.8
253.09293	6.5
265.18130	0.8
275.16556	0.7
275.20172	0.8
279.19501	0.6
307.17590	0.5
315.26852	1.3
317.28452	0.6
325.25287	3.2
341.24719	1.4
343.26392	3.3
351.23080	0.8
359.25806	3.1
361.27338	1.3
369.24442	3.4
387.25385	8.2
388.25815	0.9
405.26434	19.4
406.26773	2.1
429.21127	1.2
447.22379	4.4
537.29541	0.6
572.98431	0.5
623.34467	1.2
641.35400	55.7
642.35730	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	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.2
59.01376	1.6
60.59662	0.1
61.98832	0.7
67.21734	0.1
69.02772	0.1
69.03436	0.4
71.01367	1.4
71.54451	0.2
73.02955	0.3
83.05013	0.2
85.02943	0.4
85.79693	0.1
87.00861	0.3
89.02448	1.2
89.21536	0.1
101.02450	1.4
113.02439	0.9
119.03514	0.3
145.05003	0.2
153.74670	0.1
161.04539	0.5
165.12845	0.4
167.10767	0.3
167.14383	0.6
179.05600	0.3
181.12404	0.1
183.13889	6.6
184.14194	0.2
193.12340	1.7
211.13387	100.0
212.13734	4.6
235.08226	1.4
253.09286	4.4
275.20120	0.1
275.80905	0.1
387.25342	0.6
405.26443	0.4
429.21262	0.5
447.22314	4.6
448.22693	0.5
513.29730	0.1
623.34528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37375	0.3
57.99002	0.3
59.01379	2.8
61.98831	100.0
69.53103	1.2
69.53523	1.1
71.01393	1.1
81.03473	0.3
81.30729	0.3
86.08845	0.3
89.02441	0.5
93.03471	0.4
101.02448	0.7
107.01373	0.5
108.03776	0.3
113.02492	0.6
119.05108	0.4
125.02470	0.4
126.90522	0.3
127.00365	0.3
143.54913	0.3
151.00375	0.4
159.04520	0.5
163.00424	0.4
185.06166	0.6
187.04076	0.6
189.05630	0.6
193.05138	0.4
211.04164	0.7
213.05573	0.3
227.03465	7.5
228.03972	0.4
229.05070	2.5
239.03461	0.6
240.04195	0.4
241.05090	0.5
255.02962	10.8
256.03601	1.5
257.04504	1.8
284.03250	12.2
285.04044	33.1
286.04358	2.0
331.17383	0.3
373.18643	0.5
441.17700	1.2
461.28119	0.3
481.90765	0.5
535.23645	0.4
579.13519	24.8
580.13782	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	642.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
57.50954	0.8
58.44922	0.7
59.01383	6.7
61.98832	100.0
62.31129	0.8
64.38654	0.8
69.03458	1.1
70.75373	1.6
70.75690	1.1
71.01385	4.9
73.02954	1.5
75.00890	1.4
81.03458	2.6
82.62212	1.0
83.01390	2.5
85.02978	2.4
87.00878	2.2
89.02440	2.3
99.00917	1.3
101.02457	3.6
107.03797	1.1
112.98753	1.4
113.02457	2.8
115.00359	1.7
115.05550	8.6
116.05860	1.0
117.07131	2.5
120.08215	1.0
121.02960	3.0
122.06143	6.4
123.04523	20.2
123.05380	1.6
125.02451	7.5
131.03506	1.3
133.06584	1.7
133.33508	0.9
136.64078	0.9
143.03485	1.4
149.02411	1.1
149.04457	0.9
151.00359	0.8
152.07147	5.9
161.02330	1.7
161.04816	1.2
161.06088	5.7
163.03983	4.1
167.03497	53.3
168.03824	1.4
175.02498	5.1
176.04793	1.5
179.03435	1.6
187.04002	12.4
188.04373	2.9
191.03535	1.6
191.07106	2.1
192.07520	0.9
193.05067	2.2
205.05060	1.1
255.06783	1.1
265.09772	1.6
277.07123	1.0
279.11505	2.4
293.06500	1.2
402.18170	1.0
444.19458	0.9
457.13919	0.8
462.16675	2.0
473.14835	1.9
474.15128	1.4
489.18964	1.1
520.20874	1.7
561.80157	1.2
567.26013	3.0
579.17175	59.4
580.17706	6.4
611.25092	11.0
643.27832	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	642.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.4
61.98830	90.1
71.01386	3.1
93.03455	7.4
103.83385	2.9
119.05024	31.0
125.02476	3.8
131.01398	7.3
137.02434	2.9
145.02925	3.3
151.00319	4.6
173.93413	2.4
175.00351	36.0
176.00659	2.8
184.62944	3.0
189.01912	5.1
193.01424	7.8
229.16100	3.7
271.06085	5.5
295.06079	34.1
313.07175	33.6
314.07568	3.5
337.06967	3.2
340.56543	2.8
343.08109	9.0
415.10303	6.4
459.13153	13.6
460.13303	3.4
579.17230	100.0
580.17590	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	642.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80391	0.2
55.56657	0.2
59.01388	1.5
59.96464	0.3
61.98831	100.0
63.09730	0.3
68.71067	0.2
68.99809	0.3
69.66131	0.9
69.66557	0.7
71.01392	1.4
72.99310	0.3
78.08299	0.2
83.01398	0.4
83.44676	0.3
85.02962	0.8
87.00897	0.3
88.61445	0.3
89.02485	0.6
99.00894	0.3
101.02464	0.6
102.58781	0.2
103.69123	0.2
108.02169	1.1
113.02500	0.7
115.00398	0.4
115.05556	0.7
117.07134	0.3
123.04543	1.2
138.03230	0.6
150.03229	0.5
161.02460	0.5
161.06047	0.3
162.03218	0.4
163.04015	0.4
175.02524	0.6
177.05618	0.7
178.02736	1.1
187.04012	0.9
193.05049	3.4
202.17471	0.3
218.05919	0.4
321.07642	0.4
340.09546	0.5
354.11191	0.3
355.11929	0.8
367.11966	0.9
466.20505	0.2
579.18695	6.1
580.19495	0.5
642.33502	0.3
643.33508	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	642.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98830	100.0
62.98532	0.1
69.20126	0.8
94.08994	0.1
101.02435	0.1
110.66281	0.1
112.93703	0.1
123.40121	0.1
128.59482	0.1
141.67842	0.1
142.27560	0.1
179.24298	0.1
202.37241	0.1
213.05594	0.1
241.05125	0.3
255.06589	0.1
256.07401	0.6
271.09790	0.7
293.20087	0.1
371.97894	0.1
433.14948	0.1
512.05023	0.1
579.20984	0.9
580.21216	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	642.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96861	0.2
59.01377	1.1
61.98829	100.0
65.22212	0.2
69.57686	1.0
71.01375	0.4
73.73760	0.2
82.27660	0.2
88.50293	0.2
95.39438	0.2
98.19862	0.2
101.02416	0.2
108.02199	0.7
109.02983	0.5
121.02993	0.3
125.38512	0.2
127.79579	0.2
132.02240	0.4
134.03760	0.8
136.67120	0.2
149.02457	0.3
150.03255	0.8
160.01659	2.5
161.02475	0.6
165.05615	0.8
175.03993	3.5
178.02834	0.3
179.03610	0.2
193.05101	0.5
209.08237	0.8
210.08557	0.4
337.09406	0.6
341.10489	0.5
361.41849	0.2
439.94507	0.2
446.12167	0.2
447.12955	4.8
447.18875	0.3
603.88745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.1
58.10143	0.1
59.01384	0.8
61.98830	100.0
62.98549	0.1
68.84457	0.1
70.43504	0.3
70.43881	0.2
71.01391	0.5
73.02948	0.2
74.61790	0.1
83.01424	0.2
85.02983	0.2
88.98829	0.2
89.02439	0.2
95.01397	0.1
101.02451	0.2
113.02445	0.1
119.05064	0.1
125.02441	0.3
150.03410	0.1
151.17097	0.1
151.54376	0.1
160.01666	0.2
161.04604	0.1
165.05655	0.2
166.33121	0.1
175.03970	0.2
239.93271	0.1
273.98633	0.1
281.00793	0.1
284.03275	0.2
285.04053	0.2
316.14865	0.1
341.10318	0.2
441.17834	0.4
447.12885	0.2
471.19330	0.2
607.16547	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	642.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
59.29708	0.2
61.92093	0.2
61.98832	100.0
63.99237	0.3
71.01402	0.2
71.56280	0.2
81.03445	0.5
83.01407	0.3
83.05029	1.4
85.02938	0.2
89.02472	0.2
93.03461	0.3
93.41173	0.2
97.02976	0.3
100.07695	0.3
101.02483	0.3
109.02995	0.4
125.02406	1.1
126.02821	0.2
128.63748	0.2
134.03799	0.3
135.04480	0.2
137.02463	1.6
138.02788	0.5
149.02463	0.5
150.02921	0.2
165.01900	0.2
175.04031	0.4
190.02626	0.2
205.05116	0.3
223.06252	0.3
225.16161	0.2
243.17169	0.4
244.17502	0.3
255.06674	0.4
256.07037	0.4
273.07770	0.6
274.08054	0.6
316.10236	0.2
353.20801	0.2
436.13416	0.3
447.13257	0.2
470.34070	0.2
579.38177	0.2
597.39380	0.2
598.39447	0.3
640.47137	0.2
641.31525	0.2
641.41132	1.2
642.19415	1.4
642.41608	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	642.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.6
59.29708	0.2
61.92093	0.2
61.98832	100.0
63.99237	0.3
71.01402	0.2
71.56280	0.2
81.03445	0.5
83.01407	0.3
83.05029	1.4
85.02938	0.2
89.02472	0.2
93.03461	0.3
93.41173	0.2
97.02976	0.3
100.07695	0.3
101.02483	0.3
109.02995	0.4
125.02406	1.1
126.02821	0.2
128.63748	0.2
134.03799	0.3
135.04480	0.2
137.02463	1.6
138.02788	0.5
149.02463	0.5
150.02921	0.2
165.01900	0.2
175.04031	0.4
190.02626	0.2
205.05116	0.3
223.06252	0.3
225.16161	0.2
243.17169	0.4
244.17502	0.3
255.06674	0.4
256.07037	0.4
273.07770	0.6
274.08054	0.6
316.10236	0.2
353.20801	0.2
436.13416	0.3
447.13257	0.2
470.34070	0.2
579.38177	0.2
597.39380	0.2
598.39447	0.3
640.47137	0.2
641.31525	0.2
641.41132	1.2
642.19415	1.4
642.41608	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38073	0.5
59.01379	99.0
60.01711	1.3
61.98830	4.9
71.55145	0.7
71.55516	0.8
90.97157	1.7
118.96654	0.7
132.98186	1.5
137.54698	0.6
157.03555	5.9
159.01469	1.9
174.97725	1.2
174.99239	23.7
176.98093	11.0
176.99519	1.0
201.02550	59.0
202.02686	4.9
212.04475	0.6
217.00290	100.0
218.00670	4.8
219.97780	1.0
246.58150	0.7
276.51959	0.6
343.03668	16.8
344.03903	2.3
359.01462	82.7
360.01688	6.6
501.02774	5.3
502.02979	1.4
523.16180	0.6
646.04999	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.7
57.78744	1.3
59.01376	15.5
61.98830	100.0
62.98492	2.0
67.80712	1.5
68.58025	1.3
71.01379	13.9
72.99306	2.2
73.02950	4.3
80.05082	2.8
81.03447	2.0
83.01411	2.6
85.02972	3.9
87.00874	16.6
89.02369	1.8
94.06611	3.0
98.20644	4.4
99.00896	1.7
101.02456	5.2
106.06631	2.3
107.03797	5.7
107.33622	1.3
113.02445	2.2
115.00378	23.5
115.05562	2.4
120.08194	17.8
121.02973	2.3
122.06122	64.9
123.04531	11.3
124.04835	3.5
125.02445	5.6
126.02779	1.8
132.04550	2.4
134.06116	6.4
143.03499	2.1
150.05710	1.8
152.07167	66.7
153.07550	1.6
159.93950	1.5
160.03949	2.0
162.01125	1.5
163.06075	2.3
167.03481	27.6
168.03827	9.9
174.01633	1.6
174.05666	1.6
175.02481	55.0
176.02856	1.8
187.04041	4.3
223.08733	4.6
225.10239	1.7
235.12367	2.8
236.09453	2.2
237.10323	10.5
238.10986	4.2
239.11852	6.6
245.12933	5.7
249.06630	1.8
251.08165	3.0
251.11929	4.4
263.08273	3.6
264.09030	7.1
265.09702	7.4
267.11411	2.4
271.10861	2.1
277.09756	3.2
278.10452	2.0
279.11353	29.7
280.12048	3.2
291.11459	6.9
292.12094	2.9
295.10855	6.6
299.88852	1.6
305.09412	1.8
313.11942	2.6
323.10339	7.9
324.11145	2.5
325.11948	3.9
360.17160	2.7
402.18115	9.6
403.18997	1.9
416.20261	1.8
444.19196	11.7
445.19916	3.5
446.17026	2.0
448.18765	4.9
488.18225	14.0
489.19098	17.5
490.19876	2.3
520.20691	16.1
521.21332	4.2
525.25159	1.9
539.81073	1.6
567.26141	29.8
568.26404	4.2
580.17444	39.1
581.17682	4.4
611.25055	92.3
612.25287	15.2
643.26233	20.0
644.27637	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	643.3339
Annotation	Virescenoside R
Peak:m/z	Relative Intensity
50.77061	1.0
54.20345	1.1
55.01871	2.2
57.03447	2.5
59.01379	19.9
61.98534	1.6
61.98830	27.5
62.23732	1.0
69.03446	1.3
71.01385	24.4
71.56052	1.7
72.99304	2.3
73.02952	6.2
83.01395	6.3
83.05002	1.3
85.02948	9.7
87.00872	4.3
89.02450	7.3
91.92143	1.1
93.31591	1.0
95.01399	2.2
98.08293	1.2
99.00887	6.2
100.44637	1.0
101.02437	13.9
111.00864	7.4
113.02440	6.8
115.05522	3.6
119.03522	2.2
125.02440	1.5
129.01918	1.9
131.03459	1.4
141.01860	1.3
143.03493	1.1
159.02980	3.0
161.04503	3.3
161.05928	1.5
184.06223	1.1
187.03987	4.2
195.16707	1.2
197.11787	1.4
209.11766	2.0
211.13336	4.0
264.62659	1.3
303.23111	5.0
319.22977	2.1
419.15073	1.1
420.22275	1.3
473.14432	2.6
481.28088	3.7
543.28094	3.0
580.33795	2.8
643.33313	100.0
644.33655	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	644.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
61.98832	100.0
69.02732	0.2
69.27407	0.9
69.27834	0.7
71.01373	0.8
73.02917	0.2
83.01402	0.3
85.02932	0.2
89.02454	0.3
98.20619	0.3
101.02477	0.5
113.02438	0.5
135.04541	0.2
161.04539	0.3
188.07149	0.2
225.05580	0.7
225.07605	0.2
241.05103	0.6
253.49792	0.2
257.08188	6.2
258.08606	0.4
285.03821	0.2
296.07019	0.2
320.35498	0.2
419.13492	4.7
420.14011	0.6
460.62326	0.2
464.18564	0.2
519.10052	0.2
626.96063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98829	100.0
62.98525	0.2
71.01381	0.8
80.41547	0.1
89.02443	0.5
96.62218	0.2
96.96033	0.9
101.02470	0.4
102.01668	0.2
113.02470	0.3
119.03514	0.2
126.93368	0.1
161.04536	0.2
193.41055	0.2
262.49448	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.3
61.98830	100.0
64.38069	0.1
71.01383	1.3
71.24199	0.1
71.56553	0.2
73.02951	0.2
85.02953	0.4
89.02450	1.2
96.96017	1.5
101.02442	0.9
113.02451	0.5
115.05530	0.2
119.03518	0.6
143.03522	0.2
145.03043	0.2
161.04745	0.1
175.02547	0.2
179.05681	0.4
195.06635	0.2
439.91058	0.1
645.34827	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.8
61.98830	29.8
69.96229	16.4
71.01392	5.4
75.85880	3.0
83.01431	3.7
88.98819	4.1
96.29252	3.0
101.02419	5.6
107.64394	3.2
113.02403	4.9
116.62410	3.1
119.05034	3.8
142.73553	2.8
145.02972	11.1
216.25662	3.0
227.03557	21.9
243.02963	6.2
255.02992	53.3
256.03442	4.0
271.02509	34.3
284.03278	58.0
285.03946	10.5
300.02759	63.6
301.03104	6.8
307.06564	16.0
447.13028	18.9
453.67395	3.2
476.78360	4.0
609.04590	5.1
609.14618	100.0
610.14545	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	645.3492
Annotation	Cussoside B
Peak:m/z	Relative Intensity
55.01875	1.5
57.03453	2.3
57.47762	0.6
58.00598	4.9
59.01380	100.0
61.98833	17.3
65.75517	0.7
69.67088	0.7
71.01382	68.2
72.99301	5.8
73.02943	3.6
74.91211	0.7
83.01390	3.0
85.02949	14.5
87.00877	4.5
89.02447	84.1
90.02817	0.9
95.01403	4.1
98.19813	0.9
99.00874	1.3
101.02444	41.6
102.02808	1.0
113.01797	0.5
113.02452	26.3
119.03505	40.4
125.02433	1.6
131.03490	5.6
135.41057	0.7
143.03505	7.4
149.04562	3.8
161.04556	8.2
163.06125	3.1
167.02518	0.7
179.05612	20.4
205.07156	1.4
224.69571	0.7
265.55902	0.7
323.39130	0.7
465.28543	2.5
483.29642	5.5
565.02948	0.9
645.34888	39.1
646.35052	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	645.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
61.17612	0.3
61.98834	1.2
71.01389	0.4
71.56090	0.4
80.96523	0.3
82.65790	0.3
83.05021	0.7
85.02957	0.5
86.36426	0.3
88.98789	0.3
89.03964	3.3
101.02417	0.3
117.03467	10.0
118.03783	0.4
134.03741	93.8
135.04044	3.1
137.02460	0.5
148.19138	0.3
149.06068	5.4
150.06419	0.3
155.06975	0.3
161.34454	0.3
178.02657	1.4
193.05051	100.0
194.05382	4.5
225.16064	0.9
247.99565	0.3
315.23364	0.3
451.32889	15.9
452.33344	2.1
541.06683	0.3
645.38513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02785	0.2
57.03449	0.3
59.01382	3.3
61.98832	100.0
71.01392	2.1
73.02956	0.5
83.01408	0.3
85.02980	0.6
87.00928	0.2
88.98851	0.2
89.02445	1.6
95.01406	0.2
99.04515	0.3
101.02463	1.3
113.02435	0.9
113.42837	0.2
119.03513	0.9
123.04543	0.2
125.02464	0.4
131.03635	0.2
143.03497	0.2
145.02914	0.2
161.04674	0.3
174.29362	0.2
179.05684	0.4
193.10481	0.2
194.68610	0.2
413.80847	0.2
543.28412	0.4
646.35956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48254	0.1
59.01378	2.2
61.98830	100.0
69.14056	0.2
69.18950	1.3
69.19354	0.3
71.01378	1.0
80.42454	0.2
82.22501	0.2
82.95374	0.2
83.01374	0.2
85.02958	0.4
87.00874	0.2
89.02431	1.3
90.02806	0.2
98.19794	0.3
101.02431	1.0
113.02454	0.3
119.03512	0.5
126.79813	0.2
133.72668	0.2
143.03535	0.2
161.04523	0.2
162.23645	0.1
166.40515	0.2
179.05597	0.3
237.29410	0.2
276.26785	0.2
282.94861	0.2
380.87506	0.2
646.35229	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26920	0.4
56.02267	0.4
57.03458	0.5
59.01104	0.4
59.01386	7.6
61.51954	0.4
61.98832	100.0
62.71112	0.4
71.01382	5.2
72.99322	0.7
73.02952	1.2
80.69154	0.4
83.01402	1.0
85.02946	1.9
85.64864	0.4
87.00871	0.9
89.02447	2.9
95.01419	0.6
96.95988	2.3
98.19853	0.9
99.00876	0.5
99.92608	2.4
100.73033	0.3
101.02431	2.6
113.02446	2.2
115.92074	2.7
116.92860	8.7
119.03534	0.6
125.02477	0.7
135.04550	0.5
139.34940	0.4
143.03543	0.5
161.04631	1.2
161.06119	0.6
179.05634	0.5
265.13907	0.4
325.65314	0.5
399.23776	0.6
484.30429	0.6
527.28857	0.6
545.29706	4.2
587.30908	1.3
646.35895	1.6
647.16937	0.7
647.38074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32873	0.2
59.01377	4.7
61.98828	1.5
68.39649	0.3
71.01380	2.3
71.56193	0.4
72.99310	0.6
73.02953	0.8
83.01370	0.4
84.93862	0.3
85.02957	1.1
87.00867	0.6
89.02463	1.4
95.01393	0.4
96.96011	3.5
97.02954	0.3
98.95589	2.2
99.00871	0.5
99.92586	18.0
100.90492	0.3
100.92575	0.8
100.93372	1.8
101.02429	2.1
103.00375	0.5
103.04027	0.4
111.00890	0.3
113.02442	1.1
115.92078	22.1
116.92860	100.0
117.92875	4.1
117.93649	0.5
119.03444	0.3
123.00922	0.4
125.02454	0.3
132.92377	0.4
140.92845	1.1
141.05734	0.3
141.93617	0.6
142.94392	0.6
143.03519	0.4
156.92300	0.7
158.93878	0.9
161.04582	0.8
163.05981	0.3
168.95984	0.3
169.45407	0.3
169.93097	0.4
174.93373	0.7
184.04028	0.4
184.91792	1.8
184.95448	0.4
186.93488	0.3
192.00439	0.3
226.96509	0.5
228.98050	0.6
245.98267	0.7
261.71420	0.3
270.99152	0.3
271.09631	0.4
371.00830	0.4
383.11594	0.4
399.10944	0.3
399.23688	0.5
448.02921	0.5
525.14258	3.1
526.14893	0.7
543.15399	1.3
545.29663	2.1
561.16400	3.0
562.17090	0.4
567.15637	1.4
568.15088	0.4
585.16565	0.9
587.30670	0.6
603.17517	5.5
604.17542	0.8
611.14301	2.1
647.16418	13.6
648.17017	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	647.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36166	0.5
57.03439	0.8
59.01380	100.0
60.01714	1.2
61.98834	1.8
71.01385	8.4
73.02953	3.5
83.01418	2.1
85.02959	4.6
87.00903	0.8
89.02457	1.5
95.01396	1.0
96.96021	1.2
97.02991	0.6
99.00912	1.9
101.02457	9.0
113.02459	3.8
117.03490	2.4
119.05022	1.3
125.02542	0.6
134.84561	0.5
145.02954	17.8
146.03302	0.8
150.03267	0.7
153.35149	0.6
159.03001	1.2
161.04527	3.2
163.04060	1.9
175.02509	0.9
187.04140	1.0
200.16307	0.5
235.11870	21.2
236.12022	0.8
257.83923	0.5
277.12970	7.7
285.04260	0.9
325.09351	4.4
413.37787	0.5
520.50183	0.6
609.14581	0.8
619.12531	0.6
641.60559	0.6
641.71490	0.6
655.22247	0.7
659.80157	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.3
57.03450	3.2
58.00592	1.7
59.01379	100.0
61.98828	32.7
68.46609	1.5
71.01384	58.3
72.99301	3.9
73.02946	13.5
75.00876	2.5
83.01376	7.6
85.02953	24.0
87.00865	4.6
88.98817	1.6
89.02451	25.0
95.01379	6.0
97.02941	2.7
99.00871	5.5
101.02439	30.5
111.00867	2.3
113.02448	28.0
119.03499	10.7
124.01649	1.8
125.02419	3.8
129.01932	1.9
143.03464	5.9
159.02930	2.2
161.04538	13.3
170.44450	1.6
179.05602	3.9
182.08177	1.6
229.22180	2.0
238.77994	1.8
241.04984	2.9
256.07318	4.7
271.09622	4.7
283.02631	2.6
285.04102	4.2
381.22614	2.1
399.23764	6.6
543.28082	78.5
544.28796	13.4
545.29962	2.0
561.29120	63.5
562.29425	6.1
579.20654	2.5
603.30103	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	647.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17726	1.8
55.01880	4.4
56.44299	1.7
57.03449	2.2
58.00580	2.5
59.01379	100.0
61.98832	41.3
69.03474	2.3
69.61040	6.1
69.61444	5.5
71.01380	67.3
72.99306	6.6
73.02949	10.8
73.28246	2.0
83.01403	6.9
85.02946	19.4
86.78661	1.7
87.00890	6.2
88.98829	4.6
89.02450	38.4
95.01394	8.3
98.19913	2.4
99.00883	3.9
101.02441	34.9
113.02444	45.3
113.03247	2.3
115.00377	2.8
117.80717	2.2
119.03519	18.4
121.03045	2.4
124.01691	2.3
125.02410	4.6
131.03548	4.0
143.03474	10.4
145.02942	2.4
149.04558	3.2
161.04561	17.6
161.05797	3.1
163.06114	6.0
174.01704	2.8
175.02466	3.8
179.03459	2.7
179.05634	8.6
187.03995	2.3
190.48048	1.9
205.07207	5.1
209.42735	1.9
285.04053	5.9
287.09225	2.3
449.27527	3.2
501.30554	4.5
543.28149	39.5
544.28510	5.5
561.29169	25.9
562.29150	2.3
603.30371	3.4
647.36932	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	649.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19928	1.2
51.37862	1.3
57.03439	2.9
58.00582	4.0
59.01377	100.0
61.98849	1.9
69.03453	2.7
69.18990	15.0
71.01379	39.9
72.99300	6.3
73.02952	29.2
75.00872	1.7
83.01387	4.2
85.02953	18.9
86.00096	3.0
87.00880	21.2
87.04524	7.8
89.02440	33.2
89.02998	1.6
95.01376	1.8
98.19794	2.6
101.02444	51.1
102.02745	1.6
103.04008	21.6
105.53141	1.5
106.56178	1.7
113.02439	9.6
114.19171	1.5
115.04019	11.9
119.03497	23.3
125.02415	4.2
127.04013	3.1
131.03506	17.7
143.03499	19.3
145.05060	10.3
161.04599	3.0
163.06116	93.8
164.06413	3.1
179.03568	1.8
205.07155	41.2
233.15390	2.1
245.15384	3.3
247.08209	58.2
248.08646	2.9
253.49365	1.3
287.16470	2.5
307.10349	6.2
325.11487	4.6
505.68506	1.7
529.26483	2.6
559.27570	39.9
560.27863	7.2
571.27246	7.1
613.28790	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	649.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.9
57.03450	3.4
58.00591	5.4
59.01379	90.9
61.98852	7.7
69.03487	1.8
71.01385	39.7
72.99315	5.9
73.02953	24.3
75.00888	3.9
83.01414	4.5
85.02953	17.0
86.00084	4.9
87.00870	16.4
87.04515	6.3
89.02445	33.2
98.20644	3.5
99.00863	2.5
101.02444	51.0
103.04022	21.0
113.02446	9.5
115.04013	10.4
116.92842	2.2
119.03510	24.9
119.05038	5.0
125.02446	14.2
127.04029	2.0
131.03484	16.3
132.98631	1.6
134.03778	2.4
135.04546	10.5
143.03508	22.1
144.20059	1.5
145.02936	3.8
145.05113	6.2
151.04062	1.7
161.04550	3.4
163.06128	100.0
164.01134	3.9
164.06487	2.9
193.01445	2.1
205.07161	45.7
233.15465	2.5
245.15390	3.7
247.08240	56.6
248.08699	3.8
253.05092	6.3
265.09314	2.2
287.16617	2.6
307.10382	6.1
313.07147	3.7
325.11487	4.6
378.06625	2.1
395.45242	1.7
413.21396	2.0
529.26813	2.6
559.27472	34.4
560.28094	5.6
571.27496	7.6
613.28662	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	649.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88317	2.2
55.01868	3.2
56.60442	2.2
59.01377	100.0
60.01720	3.1
61.16448	2.2
61.98828	22.2
67.44976	2.5
68.84268	2.0
71.01381	52.7
72.99293	3.3
73.02958	15.4
81.51319	2.3
83.01390	7.3
85.02950	27.7
87.00870	8.4
87.04518	8.1
88.98826	6.6
89.02446	16.7
95.01373	4.0
99.00898	8.7
101.02443	31.0
108.84398	2.6
109.03036	2.6
111.00880	4.9
113.02448	23.4
119.03481	6.8
125.02437	5.8
127.04007	3.1
131.03514	2.6
143.03529	6.4
159.02942	4.9
161.04532	9.7
168.33357	2.5
170.27831	2.6
205.05081	3.4
205.31381	2.3
240.82022	2.5
252.04602	2.7
255.19604	6.4
257.08176	3.7
303.10547	4.7
308.03415	4.0
351.21805	8.5
363.21686	3.9
399.23801	10.4
417.24960	26.4
459.26181	4.3
485.11221	3.7
545.29651	53.4
546.29889	5.3
563.30725	87.3
564.31122	9.7
605.31805	5.8
649.39996	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	650.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20310	1.2
57.03439	1.2
59.01380	39.8
59.85769	0.9
61.98831	100.0
70.09915	4.8
71.01378	17.8
72.99303	2.0
73.02946	7.5
83.01381	2.5
85.02950	8.8
86.91221	1.0
87.00865	2.7
89.02470	7.1
89.63485	0.9
95.01377	1.5
98.20524	1.4
99.00874	2.0
101.02438	18.1
103.04013	3.2
113.02449	7.5
113.66448	1.0
115.04012	2.4
115.05528	4.7
119.03508	5.0
125.02435	2.5
131.03479	3.8
143.03490	6.7
149.99573	1.4
161.04541	3.3
161.06104	3.5
163.06126	17.4
168.00639	1.2
187.04012	7.7
188.04306	1.3
205.07144	12.2
247.08223	10.7
265.09256	1.9
331.06616	1.6
355.21533	1.7
501.26999	17.4
502.27371	3.2
543.28094	30.2
544.28387	4.4
609.38751	1.4
649.39124	1.4
650.38635	3.0
651.39813	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	651.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
59.58733	0.4
61.98839	1.9
63.02399	0.9
65.00318	0.8
69.39169	3.3
83.01397	0.8
85.02931	0.4
87.77303	0.3
88.73886	0.4
88.98813	0.5
93.03465	1.5
101.02444	0.5
107.01403	2.6
108.02202	0.4
109.02949	0.7
113.02490	0.4
117.03466	0.4
132.02184	1.3
135.00861	1.8
139.55835	0.4
143.05005	0.7
145.03015	0.5
151.00388	3.4
157.06654	0.6
159.04497	1.1
163.00394	2.4
164.01108	0.7
167.05008	0.4
169.06580	0.9
173.06052	0.5
178.06387	0.5
178.99821	1.0
179.06708	0.5
183.04474	2.9
185.02426	0.6
185.06071	1.5
186.06387	0.4
187.04018	2.8
193.08748	1.1
195.04541	0.5
197.05992	1.1
198.03285	0.4
199.04045	0.9
201.05602	0.8
211.04002	3.2
213.05464	2.0
218.02119	0.5
227.03493	40.0
228.03867	2.7
229.05029	8.3
239.03508	1.4
240.04266	0.7
241.04993	1.6
255.02983	85.4
256.03510	9.5
257.04535	6.0
258.04947	0.5
267.02820	0.4
269.04337	0.5
283.02512	10.1
284.03253	100.0
285.04010	70.1
286.04355	5.1
299.05582	0.4
309.04074	0.5
489.10376	1.3
591.13660	7.1
591.22577	0.8
592.13983	1.0
609.14551	3.4
651.15637	68.0
652.15967	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	651.157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.5
61.98825	1.8
63.02421	0.7
65.00330	0.7
69.22046	4.2
74.16353	0.4
83.01399	0.5
85.02964	0.4
87.00878	2.0
88.98827	1.5
89.02452	0.5
90.92860	0.4
93.03473	2.0
93.65945	0.4
98.20631	1.0
101.02467	0.5
105.09612	0.4
107.01418	2.9
109.02928	1.0
117.03457	0.6
121.02929	0.6
125.02423	0.5
132.02214	0.6
135.00879	2.0
143.05051	1.2
151.00362	3.7
153.01974	0.8
154.04251	0.5
157.06523	0.9
159.04526	1.3
159.63501	0.4
163.00391	2.6
164.01059	0.4
169.06609	0.8
171.04517	1.1
178.41751	0.4
178.99834	0.9
183.04572	1.3
185.02473	0.6
185.06084	3.0
187.03999	2.6
189.05560	1.1
195.04630	0.6
197.06052	0.8
199.03973	1.8
201.05615	1.0
211.04037	3.3
212.04712	0.6
213.05576	1.9
215.03499	0.8
227.03494	32.3
228.03770	2.0
229.05042	11.3
230.05312	0.6
239.03510	2.6
240.04236	1.2
241.05022	1.6
255.02986	57.4
256.03552	6.3
257.04562	7.8
267.03049	1.0
283.02451	3.7
284.03259	65.1
285.04031	100.0
286.04398	6.7
489.10150	0.7
591.13593	3.3
609.14594	5.3
610.15259	0.6
651.15649	54.2
652.16083	7.7
652.51837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
58.00587	1.5
59.01381	44.0
60.99305	9.4
61.98830	7.5
71.01385	12.8
72.79272	0.8
72.99300	2.8
73.02952	4.5
75.00839	0.9
83.01376	1.6
85.02942	7.1
87.00848	1.8
88.53461	0.8
88.98808	65.5
89.02447	15.7
95.01338	0.9
97.02940	0.8
98.20686	1.6
99.00910	0.9
101.02436	11.2
103.04015	5.0
109.02952	1.9
113.02451	2.3
119.03501	3.0
127.04016	1.0
134.74771	0.7
161.04506	2.6
163.06088	3.1
226.06387	2.7
227.03439	1.2
228.04251	4.6
239.03445	3.2
241.08678	5.9
243.06541	1.6
255.03006	9.0
256.03778	14.6
257.03989	1.2
269.04523	1.4
270.05276	7.4
271.06110	100.0
272.06479	4.5
285.07669	7.7
286.08481	54.6
287.08746	3.8
300.09967	2.9
301.10800	91.2
302.11179	6.7
312.12573	0.9
339.07156	1.2
343.11780	1.1
367.12057	1.2
379.13892	1.0
445.14731	4.7
463.15942	1.7
498.10104	0.9
505.17145	11.6
506.17343	1.0
561.29150	1.0
591.20953	5.1
609.21680	12.6
610.22144	1.8
651.22949	25.3
651.33093	1.6
651.39929	1.5
652.23480	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	651.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01375	8.7
61.98830	7.8
69.03477	0.7
71.01384	5.9
71.56542	0.7
72.99310	100.0
73.02944	2.2
73.99635	0.8
75.00872	17.4
83.01385	1.2
85.02945	2.9
87.00876	3.0
88.98814	2.3
89.02428	2.2
93.03471	0.7
99.00880	1.0
101.02450	4.0
103.00365	0.6
103.04002	0.9
107.05055	0.8
109.02963	0.7
110.00096	1.8
111.00892	0.8
113.02447	2.4
113.99589	24.6
114.00397	1.2
115.00381	6.8
117.19475	0.6
119.03552	1.3
119.05028	0.9
121.03033	0.7
123.04509	0.6
125.02431	2.9
129.01848	0.6
130.99863	1.2
131.03520	1.7
135.03117	0.5
135.04520	1.5
137.02452	0.6
137.09767	1.0
137.99619	1.0
139.00380	2.5
143.03522	1.5
156.00659	0.8
159.03116	0.6
161.02438	1.2
161.04575	2.1
163.06184	1.1
165.05608	1.0
165.09189	0.7
165.99113	2.3
166.99806	1.1
167.03488	1.2
174.01694	23.3
175.02411	2.0
178.99826	0.5
179.03535	0.9
179.07184	0.6
179.10681	0.8
195.06625	1.0
205.07202	1.0
221.06688	1.7
227.03394	0.7
229.05106	0.7
243.02966	5.7
253.05161	1.4
255.03088	3.0
269.04547	0.9
271.02475	7.8
272.03210	1.3
300.02753	8.8
301.03354	3.4
315.08841	3.5
327.12564	1.3
343.94586	0.5
367.12454	9.2
387.16669	1.7
433.10968	1.1
514.79315	0.6
531.20984	0.8
533.22418	12.2
534.22882	1.6
561.21906	1.9
573.21808	2.6
591.23230	1.9
651.15540	11.8
652.16376	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	651.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
60.99309	15.7
61.98827	3.9
69.68205	2.1
71.01391	1.3
75.00870	0.6
83.01418	0.5
85.02964	0.6
87.00873	0.7
88.00408	0.5
88.98808	100.0
89.02448	5.2
89.99120	0.9
98.20667	0.3
101.02435	1.2
105.01946	0.8
107.05026	0.6
112.89223	0.3
113.02425	0.5
113.39981	0.3
119.03527	0.6
121.02956	0.4
123.04559	0.6
137.02457	0.7
145.02992	0.4
161.05850	0.4
174.01718	0.3
195.06679	0.4
227.03438	0.7
240.69969	0.4
255.02988	1.2
283.02747	0.4
284.03296	2.0
285.04099	1.6
347.57816	0.4
390.34143	0.3
489.10556	1.2
490.11395	0.4
561.29187	1.8
562.28564	0.4
651.15527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83628	0.3
55.01871	1.0
57.03446	0.9
57.13277	0.3
58.00597	2.0
59.01379	35.1
61.98832	3.2
64.57852	0.3
66.89641	0.3
69.03449	1.6
71.01381	32.6
72.99305	2.4
73.02946	5.7
73.04176	0.3
75.00858	0.7
78.95900	0.9
81.03471	1.7
83.01387	4.2
85.02949	7.5
87.00874	9.0
89.02444	29.9
91.03995	0.9
95.01389	2.2
97.02953	6.4
99.00882	1.7
99.04504	0.6
100.72587	0.4
100.73224	0.3
101.02444	27.5
102.02782	0.4
102.30206	0.4
109.02905	0.4
111.00935	0.5
111.04478	0.7
113.02453	13.9
115.04011	0.4
119.03505	10.3
119.04979	3.5
121.02946	0.9
125.01498	0.7
125.02443	12.1
126.02775	0.5
131.03485	1.6
133.05046	1.1
139.03984	1.2
141.01910	0.6
143.03494	5.7
149.04562	0.9
152.99576	1.2
161.04562	7.0
163.04015	5.3
165.05507	0.4
167.03456	0.8
169.04976	0.3
179.05621	5.9
185.04535	0.5
198.97266	0.3
199.06143	0.7
203.05655	0.7
217.07187	1.4
219.05008	0.5
221.06662	2.4
223.00150	0.3
235.08218	12.8
241.01067	0.6
245.06595	0.8
253.09259	3.1
253.21712	100.0
254.22061	8.2
263.07608	1.4
267.23273	0.9
277.09216	1.0
277.21683	0.4
287.07803	4.0
305.08835	4.2
323.09796	2.0
361.11310	0.5
379.12454	1.1
386.86414	0.4
397.13486	77.2
398.13846	5.3
415.14545	30.8
416.14938	2.4
593.27625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.9
57.03438	4.1
58.00597	1.7
59.01381	33.1
61.27094	0.8
61.98841	5.1
67.86360	0.9
71.01383	41.0
72.99309	2.6
73.02952	13.8
75.00877	0.9
75.36810	1.0
76.03487	0.9
83.01388	10.2
85.02952	21.0
87.00874	2.2
89.02446	9.9
94.33720	1.0
95.01379	5.2
97.02937	1.2
98.20645	2.5
99.00880	5.5
101.02448	37.3
111.00877	3.7
113.02450	17.0
114.02860	1.1
119.03500	2.8
125.02460	1.9
128.30188	1.1
129.01964	1.8
133.20647	1.0
143.03500	2.1
151.36113	1.1
159.03020	1.5
161.04510	4.9
179.05556	1.3
194.24850	0.9
247.08154	1.1
297.28067	1.5
309.27951	0.9
327.28894	1.6
350.65271	0.9
393.36163	1.1
489.34335	100.0
490.34665	11.8
651.39618	89.4
652.40039	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	651.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73846	1.2
53.94846	1.2
55.01874	3.2
57.03170	1.2
57.03434	4.2
58.00587	3.5
59.01382	52.3
61.98534	1.8
61.98833	30.5
66.65811	1.1
69.03450	1.4
71.01384	52.7
72.99293	4.9
73.02947	13.9
83.01400	7.8
85.02950	24.6
87.00883	8.6
87.04500	3.8
88.98824	1.9
89.02444	22.9
89.52837	1.1
90.19500	1.0
95.01381	4.5
97.02934	1.7
99.00881	3.8
101.02450	37.6
103.04015	2.8
108.06197	1.2
111.00871	2.5
113.02450	22.6
115.04021	2.4
116.92850	1.5
119.03493	9.8
121.02975	2.0
125.02406	2.3
131.03500	4.7
143.03499	7.3
159.03000	1.8
161.04556	6.7
161.05949	2.2
163.06158	8.0
175.91917	1.2
179.05609	2.8
187.04015	2.0
205.07135	9.4
229.19736	1.6
229.21762	1.2
247.08241	2.9
265.25266	1.3
325.27426	2.0
343.28479	8.6
346.63852	1.4
357.06143	1.3
406.46265	1.4
418.83243	1.4
446.29987	1.4
487.32736	3.4
489.35132	1.5
505.33844	66.6
506.33942	7.0
579.73755	1.2
582.65143	1.2
651.39661	100.0
652.39996	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	653.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32787	4.2
59.01382	17.3
61.98827	44.2
65.02331	3.5
66.58640	3.8
70.11648	15.9
71.01392	10.6
73.02937	5.1
83.01382	4.8
85.02958	5.7
88.98798	3.9
89.02427	5.8
91.05534	8.0
101.02432	14.4
108.02193	13.8
109.02975	10.2
113.02457	7.5
117.06375	4.3
117.07123	47.5
118.34452	3.6
119.04973	3.8
123.04533	18.7
127.00385	7.4
133.06554	6.9
152.01122	17.7
153.01935	11.7
153.05544	6.1
161.04730	5.6
161.06064	100.0
163.03987	8.1
167.03444	4.7
187.03992	18.8
205.05038	79.6
206.05403	5.5
253.05070	5.6
254.05864	18.0
268.07327	6.6
269.08127	42.8
285.04114	5.1
315.07333	19.3
383.06207	16.5
431.13409	23.5
479.18994	9.5
491.15259	5.9
590.51733	4.4
619.04596	4.8
654.19373	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.0
60.99308	5.1
61.98829	21.3
63.02395	1.3
65.00334	2.0
71.01379	5.1
71.56491	0.9
72.99310	1.4
73.02966	1.7
80.71263	0.6
83.01386	2.2
83.05026	1.0
85.02952	1.6
87.00889	0.7
88.98804	31.6
89.02448	2.2
91.01882	1.3
93.03455	2.6
95.01427	0.7
97.02856	0.6
99.00850	1.4
101.02444	2.9
107.01392	4.6
108.02141	0.7
109.02902	1.1
113.02451	2.1
115.05511	1.1
117.03522	0.9
119.03505	0.7
121.02934	1.2
123.04491	0.8
125.02404	1.3
132.02185	1.2
133.02954	0.8
135.00861	1.8
137.02437	1.7
137.06024	1.1
143.05023	1.8
145.02930	0.7
148.01634	0.7
149.02415	2.7
150.03232	3.2
151.00374	5.0
151.04045	0.7
153.01955	0.7
157.06548	0.8
159.02946	0.7
159.04462	1.5
161.02461	1.3
161.04520	0.8
163.00349	3.4
163.03976	0.8
163.06084	1.5
164.01140	1.1
164.04762	2.1
165.01945	1.9
165.05492	1.9
167.04927	0.9
169.01385	0.9
171.04411	1.1
175.00346	1.7
175.02585	0.8
175.03961	0.9
176.01151	4.2
177.01801	0.7
179.05612	0.7
179.07240	0.8
183.04475	2.3
185.02365	1.1
185.06064	2.0
187.04037	5.1
189.05536	1.5
190.02710	7.5
191.03497	8.0
192.04108	0.6
194.02177	1.2
195.02943	0.9
195.04591	0.8
197.05988	0.8
199.04002	1.9
200.04623	0.9
205.05045	5.2
209.04477	4.1
211.04016	5.1
213.05537	2.2
223.06079	1.8
227.03474	57.5
228.03929	3.3
229.05032	11.2
230.05228	0.8
232.06145	0.6
232.79668	0.6
239.03433	3.0
240.04240	1.2
241.05104	2.0
243.02884	0.7
243.10217	0.8
251.05525	1.5
255.02966	100.0
256.03568	12.9
257.04541	7.0
267.02814	1.0
269.79776	0.7
271.06076	0.8
283.02490	7.8
284.03238	95.5
285.04007	97.0
286.04330	5.7
297.03809	0.7
298.04697	5.2
299.05588	21.8
327.05093	4.6
339.07254	1.8
353.08749	22.7
354.09183	2.1
367.10223	4.3
424.15399	0.7
429.08649	0.7
447.09338	4.2
461.10886	2.0
477.23059	3.3
519.24194	1.7
594.40210	0.8
652.46637	1.7
653.15076	85.1
654.15375	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	653.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.2
61.98835	11.6
69.28626	3.6
69.29030	12.8
71.01373	8.5
74.53556	1.8
85.02956	3.8
89.02434	2.9
91.05524	6.8
101.02438	7.2
113.02415	2.4
114.27709	1.6
115.05522	4.7
117.07107	57.4
118.07422	4.3
131.62173	1.6
135.04512	2.0
157.93222	1.7
161.06075	100.0
162.06381	5.2
187.03954	4.1
188.04797	1.8
205.05058	94.0
205.07027	4.6
206.05336	5.4
491.10965	3.1
491.35870	7.3
511.14636	32.2
512.14624	3.8
602.32751	2.5
653.41998	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	653.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36953	2.0
52.21797	2.2
59.01384	21.2
61.98831	14.8
71.01378	6.4
71.11943	5.8
72.39154	2.2
72.89738	2.3
73.02938	4.8
79.99817	2.6
91.05543	6.9
93.42113	2.6
100.39558	2.1
101.02459	2.9
113.02422	3.8
115.05529	3.4
117.07103	60.1
161.06071	100.0
162.06395	3.8
166.29097	2.3
176.99422	2.6
187.03943	3.3
205.05046	86.2
206.05348	4.3
403.53583	2.8
476.46106	2.5
511.14548	72.0
512.14813	4.9
610.38763	3.2
653.41052	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	653.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05169	0.5
59.01382	5.2
61.98832	5.8
69.03452	1.1
71.01393	7.2
72.99301	1.2
73.02934	2.8
81.03486	0.8
83.01388	2.1
85.02956	3.9
88.98771	1.0
89.02441	2.6
91.05516	1.1
93.03445	1.6
95.01385	2.5
97.02990	1.3
98.20727	1.0
99.00871	1.2
101.02447	4.6
107.01426	1.5
108.02173	62.0
109.02971	29.3
110.03280	0.8
113.02454	4.2
115.05524	1.3
119.03523	0.8
121.02932	2.5
123.00887	0.9
123.04549	5.7
125.02453	1.7
127.00349	1.1
132.02180	1.0
133.02988	2.9
133.06532	0.7
135.00888	3.6
135.04538	0.7
137.02380	0.9
145.02956	0.7
151.00262	0.8
151.04001	2.9
152.01152	72.9
153.01950	33.5
154.02284	1.2
161.04568	1.8
161.05942	0.8
163.04036	3.3
165.01907	3.5
169.01323	0.8
176.01140	1.4
177.01930	32.2
178.02344	1.0
179.05418	0.9
187.02486	0.9
187.03990	2.6
191.03499	1.0
219.02971	0.7
229.60516	0.9
256.03760	0.8
257.04529	1.8
257.08392	0.8
269.10419	0.8
271.06155	1.5
272.06915	1.7
285.04007	2.1
287.09192	1.9
289.05661	1.1
315.07211	100.0
316.07513	5.6
326.26859	0.7
339.07178	52.7
340.07510	3.2
354.68198	0.7
371.48895	0.6
383.06171	49.3
384.06497	3.9
401.07263	7.0
423.07495	0.7
447.15070	3.2
479.19022	3.6
491.15717	2.8
509.20255	0.9
539.21289	0.7
653.17084	5.9
672.94568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94221	0.5
59.01377	8.9
61.98829	10.3
69.47984	4.0
71.01380	3.4
72.99303	1.0
73.02959	1.2
83.01388	1.0
85.02952	1.8
87.00897	0.7
88.98809	2.3
89.02437	1.1
89.07720	0.5
90.26656	0.5
93.46364	0.6
95.01402	1.3
98.20657	0.6
99.00915	0.8
101.02441	1.9
113.02467	1.8
113.52528	0.5
116.92906	0.5
119.03542	0.8
119.96901	0.5
123.04525	14.5
125.02451	0.7
127.00363	1.2
151.00366	0.5
153.05580	24.7
161.04581	1.8
210.03194	2.9
211.03976	10.0
225.05551	1.1
227.03580	1.0
238.02641	3.3
239.03485	28.5
240.03911	1.9
243.10287	0.8
253.05055	41.4
254.05827	68.3
255.02992	1.7
255.06178	3.0
263.65591	0.7
268.07397	5.9
269.08176	100.0
270.08487	6.8
284.03284	2.4
285.04028	6.6
315.10876	8.9
323.09805	1.7
337.09210	0.9
383.09744	1.0
431.13452	54.3
432.13715	6.2
447.09570	2.6
479.19199	1.8
591.14050	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.8
61.98825	1.4
69.86166	1.6
71.01373	1.3
85.02956	0.3
89.02439	1.5
91.05546	0.6
93.03471	0.4
97.52639	0.3
99.29276	0.3
101.02419	0.6
113.02415	0.4
115.05534	71.7
116.05892	2.4
117.03471	2.1
117.07105	4.7
119.03461	0.4
121.02958	0.4
123.04515	3.3
143.03893	0.4
143.05029	7.0
149.02518	0.6
161.04726	0.4
161.06064	10.8
163.03900	0.3
164.34198	0.4
175.02513	0.5
179.05626	0.5
187.03998	100.0
188.04346	4.5
198.79166	0.4
205.05051	6.4
221.09755	0.7
354.84439	0.3
397.54709	0.3
441.58603	0.3
473.14511	35.8
474.14969	4.2
653.20874	1.6
654.21387	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15392	0.3
55.01866	0.5
58.00590	1.0
58.45357	0.3
59.01377	20.9
61.98826	2.3
62.26429	0.3
69.24586	0.3
69.24906	3.0
71.01382	13.1
72.99300	1.5
73.02934	0.8
76.04617	0.3
83.01385	0.4
85.02946	2.5
87.00882	1.1
88.98800	0.9
89.02441	18.7
91.05527	1.5
95.01383	1.0
95.03763	0.3
101.02443	7.0
113.02449	5.7
115.05532	47.4
116.05866	1.8
117.03492	1.6
117.07108	3.3
119.03500	6.5
123.04520	5.6
125.02379	0.3
131.03503	1.1
133.06606	1.6
135.04512	0.4
143.03477	2.4
143.05031	4.2
144.05405	0.4
149.02495	0.6
149.04512	0.8
152.01010	0.3
159.88530	0.3
161.04573	3.0
161.06068	7.8
163.03999	1.8
165.05499	0.4
179.05597	9.3
187.03995	100.0
188.04335	4.1
205.05028	1.3
280.02658	0.3
285.09787	1.0
323.10196	0.5
385.11362	1.1
473.14529	1.5
474.15353	0.3
491.15637	1.0
558.55145	0.3
653.20923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
59.40942	0.6
61.98827	7.5
68.72710	0.8
69.88213	2.6
71.01381	2.4
73.02951	0.6
75.00909	0.7
77.91595	0.6
85.02972	1.2
87.00871	0.7
88.98815	3.1
89.02452	1.2
93.34065	0.7
95.01425	0.7
96.96012	1.0
101.02441	1.5
113.02460	1.5
121.02951	1.3
123.00922	0.9
125.02419	0.7
150.03270	1.0
174.88821	0.7
179.03581	0.6
211.03998	21.3
212.04366	0.8
239.03490	24.8
240.03751	1.4
243.10284	2.3
253.05067	2.5
254.05829	90.6
255.06194	4.4
269.08176	100.0
270.08566	7.4
271.99219	0.6
285.03787	0.9
431.13437	78.7
432.13727	5.9
642.38800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91077	0.5
57.03439	0.7
59.01384	6.9
60.99310	15.0
61.98832	5.8
69.22718	5.3
71.01389	4.7
73.02949	1.0
73.86075	0.5
77.94183	0.5
82.28232	0.5
83.01394	1.3
85.02941	1.8
87.00884	1.1
88.98808	100.0
89.02446	1.3
89.77550	0.5
89.99173	0.7
98.20705	1.1
101.02386	2.6
109.02966	0.9
113.02460	2.5
124.01737	0.5
125.02423	0.6
125.57237	0.6
131.03528	0.6
143.03519	0.7
153.01958	0.6
159.02985	0.5
161.04535	1.4
175.02521	1.2
221.13480	0.6
269.08136	0.7
313.80466	0.6
331.17673	1.1
377.36127	0.6
437.27768	0.5
477.23431	4.1
478.23743	0.9
519.24603	9.6
520.24756	1.3
594.56976	0.6
601.83221	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67665	0.3
59.01381	7.8
60.99309	16.7
61.98831	6.3
68.97298	0.4
71.01385	3.8
71.56419	0.6
72.99312	0.9
73.02937	1.3
75.00867	0.7
75.54404	0.3
76.11517	0.3
79.60532	0.3
83.01379	1.0
85.02961	1.7
87.00880	0.9
88.98808	100.0
89.02444	1.8
89.99130	0.8
95.01405	0.6
97.02979	0.4
99.00880	0.6
101.02443	2.3
109.02962	0.3
113.02461	2.3
115.00413	0.4
116.92856	0.5
123.04532	0.9
125.02428	0.6
134.03720	0.4
137.02344	0.5
151.03940	0.4
153.01907	0.4
161.04565	1.8
165.58784	0.4
167.03516	0.6
168.00687	0.6
175.02490	1.3
176.14377	0.3
179.05566	0.4
183.75673	0.4
285.03970	0.6
303.10648	0.3
315.08823	0.5
331.17679	1.2
373.18976	0.4
398.99347	0.3
418.65512	0.3
447.08606	0.4
451.35251	0.4
477.23380	6.1
478.23672	0.8
519.24524	8.6
520.25043	1.6
653.33710	0.8
654.16718	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01377	6.3
60.99310	17.1
61.98835	9.7
71.01386	5.3
71.56484	0.8
72.99313	0.7
73.02934	1.4
75.00897	0.5
79.03780	0.4
81.46455	0.4
83.01371	2.2
85.02981	2.3
87.00877	1.7
88.00382	0.7
88.98808	100.0
89.02446	6.9
89.99136	1.1
91.05537	0.9
93.03485	0.8
95.01368	1.3
97.02959	0.5
99.00861	1.0
101.02442	2.8
108.02200	1.2
109.02953	1.3
111.00896	0.7
113.02471	3.1
115.00374	1.6
119.03475	0.9
123.04522	1.0
125.02445	1.4
127.00376	1.1
133.06593	1.5
135.00838	0.7
137.02390	0.8
137.09731	0.7
139.03995	0.6
145.11258	0.5
151.00455	0.8
152.01166	1.2
161.04544	1.6
161.05991	0.8
163.00368	0.9
163.03972	1.5
167.03496	0.9
175.02487	2.6
184.04910	0.6
185.06036	0.6
187.04024	2.4
204.15277	0.4
213.05518	0.5
217.34895	0.4
227.03534	4.1
228.03833	2.7
229.04091	1.6
230.05382	0.7
231.05537	0.6
238.16916	0.4
243.06567	3.0
255.02948	7.8
256.03369	6.7
257.03528	3.8
258.04691	1.1
259.05078	0.6
282.67099	0.6
283.02408	0.8
284.03244	7.8
285.03903	18.1
286.04199	12.6
287.04581	8.6
288.04913	0.6
323.09854	4.4
378.94461	0.4
405.12027	0.6
424.89105	0.5
447.14590	0.6
477.23389	1.8
479.19205	2.8
519.24591	1.0
593.14142	1.0
611.15399	2.0
653.15942	13.8
654.16968	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	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03440	1.0
58.00607	1.6
59.01381	42.5
60.36734	0.3
61.98824	1.1
68.99801	0.5
69.03464	2.0
71.01381	34.7
71.98970	0.3
72.01725	0.5
72.99301	2.4
73.02953	5.3
75.00861	0.8
81.03453	1.6
83.01397	3.8
85.02956	7.5
87.00874	8.6
87.04563	0.4
89.02448	33.6
91.04011	0.6
93.03407	0.4
95.01389	2.4
97.02953	7.9
99.00882	2.3
99.04517	0.7
101.02448	29.0
109.02928	0.6
111.00880	0.7
111.04514	1.1
113.02454	15.6
115.04022	0.9
119.03502	10.8
121.02952	0.9
123.00874	0.4
124.01675	0.4
125.02451	11.7
131.03513	1.6
133.05098	0.9
139.04041	1.2
139.14641	0.4
141.01952	0.8
143.03493	5.6
149.04555	1.0
152.99498	0.5
161.04539	7.4
167.03511	1.0
179.05609	8.5
181.05061	0.4
185.04517	0.6
199.06131	0.4
217.07123	1.0
219.05151	0.5
221.06712	2.3
235.08218	14.7
245.06589	0.5
253.09299	3.6
255.23289	100.0
256.23651	8.2
263.07755	1.6
268.74295	0.4
269.24899	0.5
277.09329	0.7
287.07672	3.2
305.08768	3.6
323.09616	1.7
361.11481	0.5
379.12402	1.1
397.13489	82.1
398.13800	6.7
415.14572	32.3
415.20370	0.8
416.14673	2.5
550.54138	0.4
592.78632	0.4
595.28265	0.4
675.33459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
57.03444	2.0
59.01103	1.1
59.01382	17.3
60.18180	0.7
61.98831	51.5
62.19963	0.8
69.76829	0.7
70.23429	0.8
71.01380	16.0
72.53740	0.8
72.99300	2.6
73.02952	7.0
74.02474	86.3
75.00879	1.3
75.02822	1.0
79.45611	0.8
83.01379	4.9
85.02945	10.1
86.02496	2.1
87.00864	2.2
89.02445	3.3
93.03493	0.9
97.02945	0.9
99.00874	2.1
101.02443	16.9
103.04051	1.1
107.01336	0.8
110.68249	0.7
110.86537	0.9
111.00878	3.0
113.02454	6.1
115.03947	0.9
115.05513	0.8
117.03455	1.0
119.03534	1.0
123.00908	1.0
123.04482	1.0
125.02455	5.5
131.03540	0.9
137.02402	1.2
143.03485	1.2
145.02928	1.1
149.02475	0.9
151.00337	2.9
159.02966	1.2
161.04601	2.0
161.05997	0.8
178.99777	0.9
187.03960	1.1
205.05054	1.0
214.90379	0.8
227.03409	1.2
241.21701	1.1
243.06657	1.2
254.89664	0.7
255.03011	1.3
259.06003	7.1
269.04544	7.3
271.22879	2.3
272.10788	0.7
273.07535	1.6
284.03314	2.4
285.04016	16.6
286.04376	12.3
287.05423	3.1
299.05643	2.1
328.05466	1.1
428.30142	1.1
433.28149	4.8
448.09912	0.8
449.10852	8.2
472.28888	2.1
579.33612	4.4
580.34387	1.7
618.34900	28.3
619.35742	4.8
630.68585	0.9
654.37030	100.0
655.16779	4.7
655.26819	1.2
655.37872	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	655.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59107	1.7
59.01375	27.2
61.98828	40.4
69.24466	1.7
70.06593	1.9
71.01383	15.4
72.99314	15.1
73.02948	3.4
75.00872	11.4
81.64474	1.7
83.01382	2.3
85.02948	8.5
87.00870	2.7
88.51234	1.7
88.98828	3.2
89.02449	10.0
97.02973	2.4
99.00927	2.1
101.02471	12.7
103.04011	4.9
106.88729	1.8
113.02432	4.2
119.03484	3.3
123.04493	3.1
125.02457	3.0
135.04533	2.6
151.00406	3.8
161.05945	2.2
163.06131	2.5
187.04059	2.7
187.64799	1.9
213.05540	14.2
241.02673	2.1
241.05089	33.7
255.06566	12.9
256.07416	85.9
257.07703	9.0
270.08936	4.2
271.09769	76.9
272.09995	7.6
285.03925	2.6
304.84436	1.9
357.18784	1.8
433.15024	12.0
434.15121	2.3
579.20825	100.0
580.21118	12.8
581.21356	3.8
655.18707	2.0
655.29736	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	655.261
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37366	0.8
55.01872	5.0
57.03448	5.7
58.62799	0.8
59.01381	32.7
61.98829	10.5
68.99816	1.3
69.03453	3.0
70.70548	1.8
71.01382	100.0
72.01714	1.1
72.99319	2.7
73.02944	28.6
75.00868	2.3
81.03455	1.9
83.01385	14.5
85.02953	51.6
85.21581	0.7
86.03294	1.0
87.00885	3.5
89.02447	9.7
95.01387	15.3
97.02980	4.8
99.00880	15.9
99.04518	0.9
100.08852	0.8
101.02444	54.4
102.02764	1.0
108.02171	24.5
109.02953	51.5
110.03329	1.1
111.00888	1.3
113.02451	50.5
115.05552	1.8
119.03517	2.1
123.00903	5.7
123.04541	1.5
125.02467	4.1
129.01936	1.7
135.04518	1.0
143.03516	8.2
151.04007	1.9
154.50533	0.8
159.03000	11.4
161.04556	90.5
161.06026	2.9
162.04909	1.9
163.04008	2.3
169.01451	2.1
173.54550	0.8
187.03978	3.1
203.05736	1.1
205.03473	2.8
205.05090	2.4
229.03485	1.4
249.14882	1.3
253.07166	1.9
271.08224	51.0
272.08572	2.6
315.18100	38.8
316.18500	2.6
339.07184	76.1
340.07489	5.0
383.17096	75.2
384.17487	6.8
655.26331	1.4
655.37225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98818	7.2
62.02507	1.7
62.56532	1.9
69.29412	18.3
75.84882	1.8
92.11689	2.2
96.34641	1.8
97.02990	3.2
100.04017	2.3
101.57132	2.1
103.89875	2.1
125.93636	2.0
141.01715	65.3
142.05043	5.9
152.99480	2.4
171.94655	5.6
175.01056	2.6
253.09169	2.2
275.06183	3.7
277.21753	2.4
323.22891	2.4
339.00137	4.0
391.20023	2.4
535.27747	4.3
595.29065	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	655.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78793	1.6
59.01380	100.0
61.98836	8.1
71.01408	2.5
71.56168	2.2
78.95894	2.8
97.02986	3.6
111.05693	1.7
141.01704	62.0
142.05095	4.8
152.99637	1.9
169.03003	1.8
171.15918	1.6
175.02499	1.7
275.06329	1.8
277.21777	5.1
339.00211	4.4
595.29065	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	656.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70568	0.8
55.01840	0.8
59.01376	1.9
61.98832	100.0
66.23481	0.8
70.40941	2.8
71.01385	0.8
73.02933	0.9
93.40926	1.0
101.02471	0.9
121.02153	1.7
121.02960	18.2
127.31783	1.0
161.06073	0.8
173.10820	0.8
179.83156	0.8
203.41066	0.9
209.04549	14.6
211.13368	2.2
261.28088	0.8
320.63077	0.8
346.28024	0.9
549.10162	1.6
593.13062	9.9
594.13379	1.8
619.45184	1.0
625.15039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64235	0.3
58.82861	0.4
59.01379	0.4
61.98829	100.0
69.34657	3.2
71.31049	0.3
73.62706	0.4
109.53516	0.4
114.02961	0.4
151.00381	1.7
163.00479	0.4
178.99863	1.2
211.03964	0.6
227.03494	19.5
228.03854	1.6
228.23433	0.4
229.05078	0.5
255.02982	36.4
256.03561	4.0
257.04449	0.9
283.02423	0.7
284.03253	59.6
285.03827	10.6
286.04382	0.5
327.05222	0.4
332.15958	0.4
429.07990	0.5
471.30066	0.4
556.33917	0.4
583.41437	0.4
593.15076	64.2
594.15442	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	656.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75785	1.0
61.05912	1.2
61.98833	24.9
65.47013	1.0
93.03437	1.1
93.69917	1.0
98.19815	2.2
100.83242	1.4
107.01384	2.6
151.00456	2.2
163.00383	3.2
185.06104	2.8
187.04140	1.6
197.33510	1.1
199.03952	1.7
211.04054	1.7
212.12738	1.0
213.05582	2.2
227.03516	28.3
228.03871	1.8
229.05040	9.2
230.88542	1.9
239.03500	1.6
240.04086	1.6
255.02983	49.9
256.03574	6.8
257.04568	6.0
284.03265	67.3
285.04019	79.4
286.04312	8.1
593.15100	100.0
594.15668	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	656.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33467	0.4
51.55936	0.4
52.83741	0.3
53.12745	0.3
55.01898	0.4
57.03410	0.4
58.03555	0.5
59.01381	2.3
60.76053	0.4
61.98833	100.0
71.01394	1.6
71.56884	0.5
73.02941	0.6
79.52537	0.4
85.02954	1.2
91.25123	0.4
93.03477	0.6
101.02477	1.4
105.15658	0.4
107.01355	0.6
113.02479	0.9
121.03000	0.5
123.04514	0.7
134.03767	1.0
136.01691	1.4
137.02428	0.7
149.06116	0.6
151.00391	1.0
151.04074	0.5
160.01692	2.5
161.02570	0.5
163.00372	0.8
175.03972	3.2
178.99863	0.7
185.06070	0.6
187.04004	0.6
193.05067	1.3
213.05672	0.8
227.03496	7.3
228.04143	0.5
229.05090	1.7
241.05009	2.0
243.03024	1.3
251.37601	0.5
255.03006	13.1
256.03552	1.5
256.07495	1.4
257.04602	1.4
271.02472	5.6
271.09720	2.6
284.03265	12.9
285.04050	29.1
286.04391	2.1
300.02774	12.2
301.03302	1.2
328.09262	0.7
337.09262	3.8
340.10724	0.4
341.10229	0.6
448.13547	0.5
544.79095	0.6
575.14038	8.4
576.14661	1.3
593.15112	21.5
594.15649	3.3
625.81915	1.0
655.35840	1.3
656.36206	1.2
657.21527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78431	0.2
55.36423	0.2
58.20192	0.2
59.01371	1.5
59.85592	0.2
61.98830	100.0
71.01376	1.2
71.56505	0.3
72.99320	0.2
73.02943	0.3
75.00867	0.2
83.01392	0.3
85.02981	0.5
87.00909	0.3
89.02474	0.2
93.03468	0.3
95.01382	0.3
95.25446	0.2
96.65605	0.2
99.00893	0.2
101.02450	0.8
102.02811	0.2
107.01414	0.2
113.02470	0.6
114.96700	0.2
119.03514	0.3
119.05068	0.2
123.04505	0.4
125.02469	0.4
134.03752	0.7
136.01694	0.3
137.02457	0.3
149.02486	0.2
151.00334	0.2
151.04034	0.3
153.05588	0.2
160.01625	0.8
161.04648	0.2
163.03975	0.3
165.05522	0.2
175.02518	0.3
175.03935	1.3
193.05101	0.4
213.05580	0.4
227.03491	2.0
228.03986	0.2
229.05180	0.5
241.05054	1.2
254.05750	0.4
255.02972	2.8
255.05777	0.3
256.03641	0.5
256.07458	0.8
269.08179	0.3
270.08582	0.4
271.02557	0.7
271.09778	0.9
284.03244	3.4
285.04022	7.5
286.04514	0.5
300.02747	1.6
337.09308	1.9
341.10593	0.4
432.14307	0.3
434.14523	0.3
449.27859	0.2
510.39706	0.2
575.13971	1.9
576.14508	0.4
576.24652	0.2
593.15100	4.5
594.15729	0.7
655.35327	1.5
656.36462	1.1
657.21588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39092	0.1
59.01371	0.4
61.98831	100.0
62.73146	0.1
69.43544	1.0
71.01374	0.2
72.55369	0.1
89.02438	0.2
93.71133	0.1
98.19936	0.3
101.02457	0.2
104.01368	0.1
125.02431	0.2
137.02426	0.2
148.13988	0.1
213.94936	0.1
254.05890	0.2
255.06212	0.2
256.07523	0.2
259.06140	0.1
269.08237	0.2
271.09601	0.3
272.10226	0.2
285.04120	0.2
433.14761	0.2
434.14960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79212	0.3
57.47606	0.3
59.01378	1.0
61.09264	0.3
61.98830	100.0
68.25049	0.3
69.43898	2.3
78.08710	0.3
85.03002	0.3
105.54493	0.3
166.05954	0.4
187.03973	0.3
195.11897	0.4
211.13412	0.4
245.77928	0.3
284.03354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32203	0.3
59.01393	0.4
61.98832	100.0
65.19152	0.3
70.18349	0.3
71.55870	0.3
73.02958	0.3
88.86247	0.3
100.69588	0.2
111.57118	0.3
211.13351	0.8
211.25987	0.3
212.13670	0.3
217.78352	0.3
227.03639	0.4
244.25797	0.3
371.25720	0.3
400.60413	0.4
423.43118	0.3
593.15326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
67.44106	0.6
71.01378	2.2
71.55232	0.8
73.02966	0.7
81.03455	0.8
85.02947	2.5
87.00880	0.8
89.02455	0.6
92.54865	0.6
93.03431	0.5
95.01403	0.6
101.02457	1.0
108.02173	52.0
109.02351	0.9
109.02973	14.5
110.03308	1.0
113.02443	1.0
123.04549	1.0
125.02451	2.2
135.04526	1.8
145.01334	0.6
151.04021	1.1
152.01154	47.2
153.01941	15.1
163.04008	1.5
165.01918	1.2
175.02440	0.8
205.24649	0.7
253.05092	0.9
315.07214	100.0
316.07547	5.7
334.70636	0.6
389.79202	0.6
657.13330	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	657.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.7
61.36378	0.8
61.98825	5.1
70.38750	0.8
71.01383	5.0
71.56763	1.6
75.00893	1.0
78.80798	0.9
82.03656	0.8
82.19283	0.8
83.01418	2.0
85.02960	1.7
89.02410	1.6
93.03451	4.3
99.00838	1.1
100.22318	0.8
101.02437	3.1
108.02148	1.4
110.40785	0.8
113.02445	1.7
117.03473	2.3
119.04970	1.2
121.02934	1.2
124.57426	0.8
127.85274	0.8
132.02162	8.4
133.02953	2.5
134.03743	18.6
135.04510	2.5
136.01659	13.0
137.02470	7.2
145.02974	4.9
145.03937	0.9
146.03749	3.3
149.02470	1.2
149.06094	4.4
150.03198	3.3
151.04004	10.0
153.05553	1.5
156.00648	2.9
160.01656	44.5
161.02052	1.6
161.06061	1.8
162.03247	1.0
164.04776	1.9
165.05566	5.0
175.03989	55.6
176.04449	3.1
179.03439	1.3
179.07117	3.6
185.06154	1.8
193.05045	12.1
195.06534	0.8
202.02745	1.1
213.05534	10.0
217.05013	0.9
223.04027	1.5
224.04700	1.6
240.04240	1.2
241.05057	50.4
242.05464	3.7
255.02942	1.1
256.07391	32.9
257.07883	2.7
271.09750	56.5
272.10013	4.0
277.06992	0.8
281.06689	8.9
284.03458	1.1
285.03894	3.2
301.10312	0.9
305.10239	3.0
307.08234	2.3
319.11887	5.8
322.06842	1.0
337.09274	100.0
338.09497	5.8
347.42386	0.9
477.14020	5.7
657.21747	16.4
658.22546	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	657.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85213	0.7
59.01381	51.8
60.99308	0.9
61.98832	12.9
71.01390	1.1
71.56532	0.6
71.56908	0.9
71.78340	0.6
88.98790	3.7
101.02468	1.0
107.05051	1.3
119.04993	1.3
121.03008	1.0
125.02416	0.7
135.04446	0.7
137.02440	3.9
151.04056	0.9
161.02420	3.3
162.02817	0.7
163.04037	0.8
165.01923	36.8
166.02306	1.0
173.00842	1.1
176.04839	2.4
179.03496	20.4
180.04279	26.8
181.04640	1.8
194.05858	8.8
195.06619	48.2
196.06938	1.9
209.08199	24.5
209.10263	0.7
210.05351	9.0
210.08461	1.5
213.37204	0.6
225.07678	100.0
226.07979	4.9
275.18637	1.1
305.99899	0.6
381.03940	0.7
387.14581	0.8
420.21872	0.6
435.16684	9.2
459.22098	0.9
478.03638	0.7
521.41620	0.6
643.98633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98821	12.1
62.51519	1.8
71.56440	3.5
78.95889	2.4
81.19716	2.4
92.49259	2.7
124.34808	2.0
141.01704	60.5
141.09247	2.1
142.05077	3.4
152.99529	2.6
168.79797	2.3
221.23921	2.5
279.23309	3.3
304.66864	2.3
313.16440	2.2
332.93045	2.2
412.64883	2.4
491.33997	2.3
510.79703	2.2
539.40137	2.5
543.49054	2.2
602.50940	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	658.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.62780	0.1
62.98534	0.2
70.56934	0.1
93.97488	0.1
193.48650	0.1
241.04977	0.2
256.07492	0.3
257.07834	0.3
258.08173	0.2
271.09955	0.1
272.10135	0.3
273.10397	0.1
414.37250	0.1
434.15222	0.1
435.15692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.1
59.01386	0.8
61.98829	100.0
62.98529	0.2
63.29921	0.1
67.87149	0.1
69.19145	0.5
69.19564	1.0
71.01397	0.3
83.01420	0.2
89.02463	0.4
95.01396	0.1
96.96040	0.2
101.02475	0.3
121.02935	0.7
122.03266	0.2
174.16557	0.2
190.68481	0.1
241.05096	0.5
256.07437	0.7
263.68845	0.1
271.09692	0.7
395.22525	0.2
415.26456	0.2
424.94769	0.1
433.15170	0.2
595.20459	1.3
596.20313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.8
61.98839	1.8
70.62661	1.5
78.95473	0.9
78.95905	10.7
83.11381	0.5
84.42476	0.5
96.58610	0.5
122.00135	1.1
140.01205	4.7
155.14545	0.6
181.12297	0.9
187.67661	0.5
196.03818	1.7
199.13393	100.0
200.13687	5.2
229.69946	0.5
279.23288	30.9
280.23709	2.1
314.24463	0.5
338.51794	0.5
351.03348	0.5
378.16779	0.8
384.84601	0.6
396.17789	0.8
476.27942	3.0
658.40918	13.1
659.40826	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	659.016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	62.3
60.01699	0.6
61.98830	1.6
69.77988	2.6
78.57571	0.5
79.94526	0.4
90.97157	0.8
102.36638	0.4
132.98201	1.4
150.94824	0.9
157.03593	1.5
159.01520	0.9
174.99243	22.8
176.98149	0.6
192.95889	6.2
201.00682	0.7
201.02542	15.4
202.02745	1.6
217.00294	100.0
218.00629	2.3
323.62491	0.5
343.03690	1.7
359.01462	31.0
360.01776	3.1
374.99207	53.3
375.99567	2.1
517.00446	8.1
518.00201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.7
59.01102	0.6
59.01378	9.0
59.06708	0.4
61.98833	3.6
71.00999	0.8
71.01379	12.5
71.56596	0.4
72.99301	1.4
73.02947	1.1
83.01369	0.6
85.02962	1.3
85.65367	0.3
87.00877	25.3
99.00912	0.4
101.02449	0.8
106.85918	0.3
112.98832	0.9
113.02441	1.0
115.00372	40.6
116.00700	0.7
123.04542	0.4
125.02415	1.2
139.00398	0.4
145.02956	0.4
157.01492	0.5
175.02472	100.0
176.02832	3.0
191.07161	0.4
228.03838	0.7
229.04979	0.4
234.09952	0.4
243.01485	0.5
255.03064	0.6
256.03452	0.7
257.03717	0.4
277.67807	0.4
285.03778	1.6
286.04282	1.2
287.04483	1.2
339.14429	0.4
415.16202	0.7
457.17264	0.5
594.16449	0.5
596.16003	4.2
643.49414	0.4
659.17249	1.0
659.29126	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16985	0.8
59.01377	7.3
61.98821	3.3
62.07798	0.8
64.45184	0.8
71.55106	0.9
71.55610	1.2
91.05531	7.4
99.52741	0.8
101.02441	0.9
108.34497	0.8
115.05553	6.2
115.13090	0.8
116.78284	0.7
117.07106	47.8
118.07430	1.6
133.06662	1.5
135.04480	1.5
138.38634	1.0
145.71956	0.9
161.06079	100.0
162.06412	4.6
163.13582	0.8
183.13879	4.9
187.03998	2.1
205.05049	69.6
206.05388	3.4
209.52342	1.0
211.13412	4.1
213.14969	2.2
324.46353	1.1
497.20023	1.1
553.15472	4.0
554.16168	1.5
659.36450	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	659.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
57.03448	1.7
57.07396	1.2
58.00580	3.1
59.01381	46.6
61.98828	42.6
69.03443	2.5
71.00997	2.8
71.01380	42.6
72.99309	11.3
73.02942	6.3
83.01392	5.3
85.02943	12.8
87.00874	19.3
88.98811	2.7
89.02444	22.7
93.03454	1.5
95.01403	4.4
96.96011	6.0
98.20775	1.9
99.00893	2.9
99.04516	1.5
101.02433	19.7
112.98843	2.4
113.02449	13.8
113.99571	2.7
115.00368	31.1
119.03511	5.9
121.02988	1.4
123.04515	3.0
125.02419	1.7
135.24901	1.5
137.02437	6.1
137.09744	1.7
138.03171	1.9
143.03505	1.9
143.05008	2.4
145.02966	1.6
150.03241	1.5
151.00348	2.6
153.01945	2.0
161.02390	2.6
161.04559	4.0
165.01974	9.4
166.02650	2.4
174.01706	4.0
175.02470	77.9
176.02777	2.3
177.01964	3.2
177.05573	1.5
179.03535	3.1
180.04242	7.1
181.05011	7.2
187.04021	1.8
191.03529	2.1
192.04289	2.1
194.05751	2.1
195.06631	6.0
203.03484	2.6
204.06688	1.2
207.06601	3.5
209.08252	2.6
210.05339	1.5
217.03287	1.6
221.10338	2.1
225.07671	2.7
233.08179	3.9
246.26022	1.7
251.09276	8.2
255.03067	1.6
282.20383	1.4
284.03098	2.1
285.03937	4.4
317.21286	5.9
433.14731	3.4
449.14828	3.1
461.15512	1.9
497.27606	100.0
498.27899	12.4
539.28821	2.0
561.28961	4.2
579.30304	1.7
599.30841	2.2
611.21167	2.9
617.32275	1.4
621.31171	2.3
659.22668	9.9
659.32733	5.0
660.31207	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	659.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03456	1.7
59.01383	20.9
61.02189	0.9
61.98830	14.8
71.01379	25.1
72.99311	3.2
73.02965	6.6
74.02525	1.0
78.46539	1.1
83.01402	6.1
83.05045	1.8
85.02950	10.5
87.00884	8.1
89.02444	10.6
95.01383	3.4
97.02978	1.5
99.00873	2.4
99.04526	0.9
101.02439	13.6
111.00932	1.6
113.02450	10.7
115.00376	11.8
119.03512	2.8
119.04993	1.1
119.08652	2.2
123.04507	1.1
125.02449	1.0
137.09749	6.7
143.64279	1.0
152.95963	0.8
161.04570	2.2
163.04012	1.2
165.01968	1.6
174.01630	1.7
175.02472	28.2
175.03975	1.7
180.04268	1.0
181.05219	0.9
181.08752	1.6
195.06735	1.3
207.06610	2.1
255.03046	2.3
284.03241	2.7
285.04095	6.2
289.09424	1.3
319.22870	3.0
327.05148	2.8
335.22009	1.4
384.01889	1.0
479.26569	3.6
480.27136	1.2
497.27563	100.0
498.27789	13.2
539.28912	1.4
593.15320	3.2
623.14056	1.3
623.29608	1.3
659.23828	1.1
659.33783	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.1
61.98832	100.0
68.99574	27.5
71.01384	1.8
71.56575	0.8
72.99316	0.5
73.02949	0.5
73.04082	1.4
85.02948	0.8
89.02452	1.6
95.02501	0.6
99.00896	0.6
99.02049	0.6
101.02463	1.2
112.05143	1.3
112.98573	26.2
113.02495	1.0
113.03587	1.0
129.10370	1.7
130.06244	1.3
151.08861	1.4
152.07196	1.1
155.08270	0.8
164.04895	0.5
168.11473	1.1
169.07437	0.6
169.09869	1.9
175.02449	1.2
179.07216	0.7
186.12431	2.2
187.04050	0.9
187.08449	1.3
188.95103	0.6
207.15042	0.6
209.08174	1.0
225.13658	1.3
225.15825	0.5
241.05119	1.2
242.18674	0.7
243.14742	2.1
255.07062	0.7
256.07578	1.5
271.09940	1.2
272.10291	0.6
281.19992	1.6
299.21027	1.3
331.06949	0.5
340.16412	0.7
357.19113	1.2
396.22739	2.1
413.25320	2.4
469.31250	0.8
565.24738	0.8
566.33063	39.1
567.33307	5.7
596.34381	0.9
609.24078	1.2
627.24774	1.0
641.26740	0.6
659.34100	2.2
662.01013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01379	100.0
59.77836	0.3
60.01717	0.7
61.98849	0.3
65.23811	0.3
68.29947	0.3
70.56918	0.4
70.57248	0.7
78.95903	0.4
98.19959	0.3
110.09309	0.3
131.34726	0.3
153.07724	0.3
192.68979	0.3
204.87086	0.3
211.34444	0.3
235.11754	0.3
276.33533	0.3
279.23291	0.4
298.69061	0.3
406.80377	0.4
510.09814	0.3
629.04883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67556	0.5
59.01380	100.0
60.01728	0.8
61.98831	1.4
71.12598	0.8
71.12914	0.8
78.95918	1.1
89.86988	0.7
94.37097	0.7
126.84296	0.6
201.15068	0.9
202.09953	0.6
211.89584	0.6
225.80960	0.6
239.68578	0.6
279.23398	0.9
356.75327	0.7
365.88287	0.6
499.06320	0.7
605.80072	0.6
659.96442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01696	0.9
61.98817	1.2
65.37991	0.6
70.57445	2.0
78.95915	1.4
115.00262	0.7
121.47644	0.8
158.15253	0.7
199.13423	3.7
200.13707	2.0
201.14948	3.0
214.59787	0.6
240.96530	0.7
274.07449	0.7
279.23273	1.8
280.23770	1.6
543.81360	0.7
640.25311	0.7
660.42432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	0.6
61.98827	2.3
64.72797	0.5
65.65331	0.4
69.27115	1.1
69.27532	3.3
78.95927	1.1
98.19917	1.1
98.36919	0.5
135.92062	0.8
155.14426	0.5
157.88576	0.5
174.89275	0.4
201.14952	7.6
213.32985	0.5
219.69865	0.5
252.88264	0.5
279.23267	2.3
309.93002	0.5
446.16910	0.5
660.43188	1.8
671.46448	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05355	0.6
59.01379	100.0
60.01716	1.1
61.98835	1.2
70.40150	2.6
85.95750	0.7
94.74762	0.7
104.36335	0.8
179.82259	0.7
199.13434	2.3
200.13751	0.8
269.49094	0.7
286.80933	0.7
338.15915	0.9
623.41949	1.3
659.41785	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	660.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83181	0.2
61.98829	100.0
62.98539	0.3
114.31652	0.2
174.01707	1.0
189.48445	0.2
240.48322	0.2
506.04214	0.2
537.31281	0.3
605.64893	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
91.71665	0.2
134.79993	0.2
135.95226	0.2
137.88797	0.2
148.94337	0.2
149.24738	0.2
174.01707	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
61.63264	0.2
61.98832	100.0
64.37650	0.3
68.77354	0.3
69.09106	0.3
79.55208	0.2
94.86337	0.3
97.12759	0.3
105.96012	0.4
141.01680	0.4
143.99187	0.7
157.68030	0.3
167.81886	0.3
174.01741	0.3
182.74744	0.3
246.24356	0.3
259.30240	0.3
328.99469	0.3
357.41656	0.3
626.86584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03434	1.4
58.00595	1.9
59.01381	59.8
61.98831	33.2
61.99151	1.4
71.01383	27.7
71.04008	2.2
72.99300	1.4
73.02956	13.0
75.00885	1.2
76.78378	0.9
83.01410	6.8
85.02946	7.1
87.00894	2.9
89.02443	15.8
95.01414	2.0
96.95984	2.4
97.02963	0.9
99.00893	2.9
101.02456	18.6
113.02451	10.7
115.00357	2.0
116.92868	2.3
119.03526	6.6
123.04542	1.7
128.25652	1.0
131.03525	1.2
143.03561	2.2
153.05565	1.1
161.04524	2.2
163.06151	1.2
175.02466	2.1
189.16464	1.9
260.31461	1.0
306.79623	1.0
362.43634	0.9
377.21567	1.3
413.21716	2.5
455.22861	100.0
456.23257	12.0
479.22723	2.3
499.29034	1.4
661.34015	3.5
673.09674	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26394	4.9
59.01385	58.5
61.98832	28.3
65.35773	4.8
69.17470	28.4
69.17896	28.1
71.01376	48.4
84.54086	5.4
85.02937	8.1
87.00882	12.2
89.02444	67.1
89.11942	5.3
92.72027	5.8
95.98952	5.5
96.78071	5.1
101.02462	28.8
111.93438	5.7
113.02420	17.1
119.03508	19.8
143.03477	7.8
150.02657	6.3
161.04520	10.1
179.05589	19.4
269.80313	5.1
277.21738	100.0
278.22253	5.7
323.09741	17.9
341.10873	56.0
354.10364	5.7
577.27167	7.8
601.31818	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	663.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19929	0.4
57.03444	4.3
59.01378	8.9
59.37788	0.5
60.01706	0.4
61.98830	54.0
71.01387	5.9
72.99313	0.8
73.02939	2.1
75.00874	0.4
83.01405	1.0
85.02963	1.7
87.00878	1.5
88.98816	0.7
89.02433	2.8
95.01395	0.5
96.96012	9.0
97.02969	0.5
98.95599	4.7
98.96370	0.6
99.00888	0.8
99.04510	2.9
99.92581	17.8
100.92588	0.9
100.93362	1.1
101.02435	6.1
103.00375	0.5
103.04003	0.8
111.00891	0.6
112.98795	0.6
113.02458	1.8
115.92078	24.6
116.92857	100.0
117.07935	0.4
117.92879	5.3
119.03493	1.0
119.04965	0.4
121.02946	0.6
122.03755	0.5
123.04510	0.5
125.02422	2.4
131.03476	0.7
131.36124	0.4
136.01654	5.8
137.02438	0.5
140.92842	0.6
141.93640	0.6
142.94397	0.6
143.03479	1.0
145.05121	0.5
151.03995	8.6
151.05109	0.8
156.92456	0.4
160.01620	1.0
161.04590	0.7
163.06113	5.7
175.02489	1.0
175.04027	0.9
179.05644	0.7
180.04253	0.5
184.91759	2.1
187.57933	0.4
193.05069	0.8
195.06805	0.4
205.07130	1.5
228.98108	0.9
247.08220	1.4
271.06052	1.7
286.08463	0.9
301.10855	2.6
302.11209	0.7
357.13394	11.3
358.13727	0.8
399.11310	0.6
442.58182	0.5
463.15964	2.6
464.16534	0.9
465.16476	0.8
541.13818	2.6
543.15521	0.5
559.14587	1.3
577.16223	2.4
583.14557	1.0
601.16162	0.6
619.16876	5.6
620.17163	0.7
627.13727	1.7
628.13489	0.5
663.15942	15.0
664.16180	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	663.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19929	0.4
57.03444	4.3
59.01378	8.9
59.37788	0.5
60.01706	0.4
61.98830	54.0
71.01387	5.9
72.99313	0.8
73.02939	2.1
75.00874	0.4
83.01405	1.0
85.02963	1.7
87.00878	1.5
88.98816	0.7
89.02433	2.8
95.01395	0.5
96.96012	9.0
97.02969	0.5
98.95599	4.7
98.96370	0.6
99.00888	0.8
99.04510	2.9
99.92581	17.8
100.92588	0.9
100.93362	1.1
101.02435	6.1
103.00375	0.5
103.04003	0.8
111.00891	0.6
112.98795	0.6
113.02458	1.8
115.92078	24.6
116.92857	100.0
117.07935	0.4
117.92879	5.3
119.03493	1.0
119.04965	0.4
121.02946	0.6
122.03755	0.5
123.04510	0.5
125.02422	2.4
131.03476	0.7
131.36124	0.4
136.01654	5.8
137.02438	0.5
140.92842	0.6
141.93640	0.6
142.94397	0.6
143.03479	1.0
145.05121	0.5
151.03995	8.6
151.05109	0.8
156.92456	0.4
160.01620	1.0
161.04590	0.7
163.06113	5.7
175.02489	1.0
175.04027	0.9
179.05644	0.7
180.04253	0.5
184.91759	2.1
187.57933	0.4
193.05069	0.8
195.06805	0.4
205.07130	1.5
228.98108	0.9
247.08220	1.4
271.06052	1.7
286.08463	0.9
301.10855	2.6
302.11209	0.7
357.13394	11.3
358.13727	0.8
399.11310	0.6
442.58182	0.5
463.15964	2.6
464.16534	0.9
465.16476	0.8
541.13818	2.6
543.15521	0.5
559.14587	1.3
577.16223	2.4
583.14557	1.0
601.16162	0.6
619.16876	5.6
620.17163	0.7
627.13727	1.7
628.13489	0.5
663.15942	15.0
664.16180	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	663.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.4
58.79673	0.3
59.01383	3.0
60.99307	1.1
61.98831	0.7
67.01890	2.5
69.03457	0.9
69.91994	1.7
71.01379	1.5
80.71442	0.4
81.03424	0.7
83.05026	0.7
85.02954	4.3
87.00877	5.4
93.03461	20.6
94.03804	0.4
97.02934	0.4
99.04523	0.4
101.02418	0.3
109.02923	0.6
111.04521	2.4
113.02464	0.5
116.61652	0.3
119.05029	4.8
120.95596	0.3
125.02359	0.5
127.04008	0.9
129.01915	0.8
138.98444	0.4
145.02975	1.4
155.03461	0.5
161.04587	0.3
163.04007	5.8
163.11432	0.3
165.74477	0.4
173.04543	5.9
175.02437	0.5
175.75954	0.4
180.04309	0.6
191.05612	100.0
192.05980	3.4
195.06561	0.7
217.14409	0.4
315.49402	0.4
337.09290	27.6
338.09598	2.1
358.98901	0.4
476.64017	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56224	0.4
57.03443	1.2
59.01376	3.4
61.98837	2.8
62.97100	0.5
69.71535	2.6
70.73943	0.4
71.01382	3.0
83.01375	0.5
85.02947	0.7
87.00869	0.5
89.02454	0.7
91.71755	0.5
93.03461	0.8
96.96004	0.8
98.02476	0.7
99.00884	0.5
99.04540	0.5
101.02435	2.0
111.00878	0.6
113.02454	0.9
116.92855	1.6
117.03461	16.2
119.05022	15.2
121.02921	1.9
125.02469	0.8
132.02171	1.9
133.02980	1.3
133.06616	0.8
134.03738	47.2
135.04025	1.2
137.02457	9.1
139.03975	3.3
143.03502	0.5
145.02948	69.3
146.03311	3.0
147.04539	1.2
149.06078	17.7
150.03253	1.0
151.56361	0.4
159.04587	0.6
160.01653	10.3
161.06139	1.2
163.03999	11.9
168.00969	0.5
175.03993	11.1
176.04750	1.8
177.05428	0.5
178.02708	37.6
179.03082	1.4
187.03986	1.2
191.05591	0.9
191.07130	0.8
193.05045	91.4
194.05359	3.8
205.05034	1.1
214.33357	0.5
235.06046	1.9
246.02269	0.4
265.07321	0.6
307.08212	38.9
308.08511	2.4
327.12329	1.0
337.09235	1.5
339.12354	0.8
411.01297	0.5
432.10303	0.5
463.06949	0.5
501.14008	100.0
502.14340	11.0
543.15076	1.0
663.18719	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45852	1.2
54.44302	1.3
56.28776	1.1
56.29055	1.2
57.03447	77.2
57.84907	1.3
59.01383	14.0
59.28940	1.3
61.98828	13.1
67.78215	1.2
69.14575	1.3
71.01404	7.0
71.01718	1.2
73.02956	2.5
75.00872	3.8
81.03448	3.2
83.01389	2.5
85.02968	2.9
87.00892	1.9
89.02443	2.4
96.95998	2.0
97.02991	1.5
99.04519	66.7
100.04877	1.3
101.02452	20.5
108.02185	1.8
113.02437	2.4
117.03487	2.1
119.03462	1.7
119.05016	3.8
120.00523	1.3
121.02955	4.6
123.04542	3.3
125.02454	41.1
125.37103	1.2
126.02737	2.1
129.01927	1.4
132.02139	4.9
133.02959	2.4
134.03748	21.8
135.04568	1.7
136.01680	2.8
137.02400	2.1
143.03505	3.7
145.02948	15.6
147.04573	1.7
148.05307	4.4
149.06090	16.2
151.04004	3.7
160.01669	24.2
161.02354	5.6
163.03981	5.7
163.07614	3.6
165.05547	1.4
175.04004	39.5
176.04515	2.0
178.02736	3.5
188.04825	7.7
189.05560	1.9
190.06340	3.5
191.07056	2.2
193.05051	15.6
203.07118	2.7
206.05830	8.0
218.05478	1.3
221.08209	14.5
222.05289	3.6
230.05800	1.9
235.05942	1.7
245.08199	3.6
251.07185	1.6
263.09274	5.2
267.06482	2.8
269.08124	3.4
279.06534	3.1
280.07437	1.7
281.08185	8.7
282.08975	2.0
291.06964	2.0
293.08145	3.4
294.08948	5.7
296.10413	2.1
297.07718	22.3
297.11096	2.3
298.07959	1.7
302.81320	1.7
307.08362	4.5
308.10464	2.6
309.07672	37.5
309.11276	11.3
310.08105	2.9
311.09164	1.7
312.10046	26.8
323.09308	7.5
324.10043	24.9
325.10397	4.0
327.12366	99.1
328.12714	9.4
337.09283	26.5
338.09280	1.2
339.12363	100.0
340.12860	9.6
357.13327	3.8
501.14032	8.7
551.70294	1.4
559.18250	11.7
573.16199	3.8
584.18365	1.5
587.17877	3.0
591.17175	6.2
601.19366	2.4
605.19037	4.1
608.25641	1.4
663.23077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07970	0.2
55.48265	0.2
59.01385	1.1
61.98825	0.8
71.01389	1.2
71.02515	0.3
71.55954	0.3
72.00901	0.8
73.02935	0.2
74.02460	0.3
74.78526	0.2
75.00912	0.3
75.89255	0.2
78.95957	0.3
85.02968	0.6
88.98814	0.3
89.02481	0.4
91.05525	1.9
98.49319	0.2
101.01837	0.3
101.02454	0.8
108.02222	0.3
109.02975	0.3
112.07696	0.3
113.02441	0.4
119.05033	0.5
125.02442	0.5
125.07214	0.4
129.10344	36.8
130.10678	1.3
134.03746	0.7
135.04480	0.5
141.10333	0.3
145.02963	1.0
147.04526	10.6
148.04857	0.4
149.05991	0.3
161.04517	0.4
163.04041	0.3
164.07166	9.7
165.07411	0.3
169.06204	0.3
175.02454	0.3
178.02699	0.7
193.01566	0.2
193.05028	2.0
195.06641	0.5
233.16573	3.4
241.11908	0.4
275.10632	0.5
277.15564	100.0
278.15881	7.5
285.39188	0.3
294.41553	0.3
302.62637	0.3
307.08353	0.5
331.06454	0.3
346.88367	0.3
355.06464	0.3
501.14047	1.6
663.20844	0.3
663.32233	0.3
668.04260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
57.03433	1.5
58.00589	0.9
59.01380	13.3
61.98831	8.0
69.03445	1.0
71.01384	19.6
71.56586	0.8
72.99300	1.7
73.02677	0.3
73.02943	3.6
75.00848	0.7
81.03452	0.6
83.01404	3.3
85.02947	6.2
86.00063	0.5
87.00874	3.3
89.02446	5.8
95.01384	2.2
95.61654	0.4
97.02933	1.1
99.00868	1.6
101.02445	7.5
111.00860	0.5
112.01665	0.9
113.02465	5.8
115.05524	1.1
116.92845	1.2
119.03483	2.1
119.94736	0.5
124.01679	0.9
125.02432	2.3
131.03516	0.4
143.03534	0.6
161.04562	0.7
161.06009	0.6
179.05484	0.5
185.11783	1.5
187.03957	1.6
211.21608	0.4
271.09653	0.5
309.24258	1.1
321.24387	1.1
325.23816	0.6
327.25302	1.9
339.25381	8.5
357.26511	5.6
381.26581	0.7
483.29581	2.8
501.30655	12.0
502.31052	1.5
519.31769	6.9
520.32190	0.8
663.35944	100.0
664.36273	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	664.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98741	0.2
61.98830	100.0
69.20792	1.9
97.49960	0.2
106.57561	0.2
158.09309	0.2
277.66562	0.2
304.85468	0.2
449.99539	0.2
506.96521	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.55000	0.6
71.55364	0.7
87.57017	0.5
112.57316	0.8
163.88388	0.5
164.70393	0.4
169.12532	0.6
178.70062	0.5
239.12430	0.6
240.21454	0.5
278.51556	0.6
280.23990	0.6
496.17523	0.6
552.19958	0.8
597.03815	0.6
627.21313	1.3
628.21631	4.4
629.22253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1722
Annotation	Isorhamnetin 3-rhamnosyl-(1->6)-(2''-acetylglucoside)
Peak:m/z	Relative Intensity
52.64968	1.3
58.89027	1.1
59.01377	15.0
60.99283	1.3
61.98832	37.1
65.00317	2.0
71.01390	8.7
72.99297	1.4
73.02959	2.3
83.01373	3.0
85.02950	5.7
87.00865	1.3
88.98807	7.2
89.02440	6.7
95.01394	1.7
96.96016	2.0
98.26226	1.1
101.02438	6.0
107.01419	2.7
108.02179	2.4
109.02952	1.5
113.02457	4.8
115.00348	1.9
119.03448	1.7
119.05019	2.0
123.04498	1.3
125.02487	1.5
136.01677	1.7
136.31702	1.1
139.00345	1.1
145.02922	2.7
149.02452	1.5
151.00357	9.2
152.01019	1.3
161.04524	1.6
163.03989	2.5
165.05486	1.3
175.02461	3.4
175.03954	1.3
179.05550	2.2
183.04514	2.5
187.03931	2.5
195.06641	1.5
199.04002	8.5
201.02052	2.1
203.03488	1.5
214.48076	1.2
215.03438	3.6
227.03490	7.9
242.02226	12.3
243.02950	42.5
244.03279	3.2
255.02983	15.8
256.03357	1.5
257.04376	6.7
269.04510	1.5
270.01730	12.2
271.02460	50.4
272.02960	4.2
284.03275	2.8
285.04013	20.4
286.04626	5.5
287.05713	1.6
298.01285	2.0
299.01981	79.7
300.02682	33.4
301.03137	1.7
309.04114	1.4
313.03549	16.7
314.04315	82.3
315.05063	66.9
316.05469	4.5
339.04956	1.6
391.06897	1.4
438.68823	1.2
459.01721	1.1
527.24280	1.4
605.15125	21.9
606.15552	3.1
665.17212	100.0
665.38318	6.1
666.17389	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	665.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.1
60.99305	17.5
61.98526	1.3
61.98830	19.0
63.39536	0.8
71.01381	7.5
72.99274	1.1
73.02953	1.7
75.00893	1.6
85.02950	4.4
88.98808	100.0
89.02434	2.5
89.99127	1.2
91.05544	2.3
98.20734	2.1
99.00916	1.2
101.02464	4.2
113.02456	5.3
115.05546	13.8
116.05869	3.0
117.07114	16.5
118.07435	1.2
119.03503	1.3
123.04517	2.3
125.02489	1.1
133.06595	4.7
135.03009	6.9
143.03488	2.3
143.05029	1.2
144.05339	0.9
161.04626	2.1
161.06078	30.2
161.07417	1.8
162.06404	3.8
163.03998	2.3
187.03996	19.6
188.04323	3.5
205.05054	12.6
206.05496	0.9
223.06119	1.3
253.93459	0.9
341.08987	1.4
469.13513	20.4
470.13907	2.3
473.14493	2.7
474.14807	1.8
503.31940	1.0
585.27472	1.0
665.37836	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	665.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	74.0
61.98830	14.0
69.24097	42.4
71.01373	26.6
72.99287	4.6
73.02959	8.0
75.00862	5.7
83.01404	6.1
85.02947	14.2
88.78610	4.9
89.02452	19.3
99.70272	4.8
101.02449	26.0
103.04009	8.6
113.02451	12.1
115.05543	32.6
116.92822	9.3
117.07108	10.5
119.03518	5.7
132.62532	4.8
133.06613	11.6
135.02968	11.4
138.45663	5.0
147.98495	4.8
156.30565	4.6
161.06084	17.7
163.04013	13.4
187.03966	48.5
205.05109	5.3
213.05568	22.4
240.08014	5.4
241.05054	51.4
255.06509	5.5
256.07385	92.1
257.07907	4.8
271.09763	100.0
272.09943	11.8
415.13788	6.3
473.14285	9.8
475.16168	16.0
577.62866	5.3
579.20581	6.1
621.21985	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
58.00556	0.3
58.88866	0.2
59.01379	6.8
59.65690	0.2
61.02535	0.2
61.98804	0.7
65.01632	0.2
71.01005	0.3
71.01379	3.9
71.56330	0.4
72.99261	0.6
73.02943	1.5
83.01363	0.3
85.02944	2.6
87.00873	1.0
87.04456	0.4
88.98769	0.2
89.02438	2.5
93.03421	0.4
95.01387	0.2
97.02910	0.2
99.00848	0.3
101.02449	3.5
103.04008	1.6
108.02139	0.6
109.02914	0.4
113.02470	1.7
115.04048	0.2
119.03455	0.8
119.05036	0.2
121.02157	0.2
121.02950	3.4
123.04495	0.5
125.02424	0.3
127.03984	0.3
131.03453	0.6
133.02919	0.4
134.03717	0.3
135.04460	0.5
136.01614	0.3
137.02385	0.2
141.01932	0.4
143.03525	1.7
145.02971	1.5
145.04980	0.4
146.03635	0.3
147.04565	1.1
149.02342	0.2
149.06091	0.3
150.03204	0.5
151.03960	0.6
159.04465	0.8
160.05333	0.8
161.02519	0.9
161.04457	0.4
161.06000	0.2
162.03177	0.7
162.06810	0.8
163.04025	1.2
163.06143	1.0
165.01952	1.2
165.05515	0.7
175.02556	0.2
175.03999	4.2
176.04622	0.3
177.05490	0.5
179.03540	0.3
179.07098	0.4
180.04291	1.1
187.03902	0.7
188.04771	0.6
190.06345	2.5
191.07092	0.4
191.08629	0.3
194.05658	0.2
195.06618	2.4
203.07161	2.2
205.07050	1.2
205.08665	4.6
206.09058	0.2
207.08122	0.4
209.06096	0.4
211.07565	0.2
217.06433	0.2
219.08093	0.3
221.06023	0.8
221.08072	0.3
222.05272	2.8
223.05574	0.2
223.07613	0.9
225.05548	0.4
225.09201	0.2
233.06090	0.6
235.04008	0.2
235.07669	1.5
237.05438	0.3
237.09151	0.3
238.06432	0.3
239.07089	1.0
240.07768	0.3
241.04977	0.3
241.08669	0.3
245.05893	0.3
246.06697	0.2
247.07649	0.5
249.05513	0.6
250.06244	0.4
251.07138	1.9
252.07755	0.4
253.04961	0.4
253.08664	1.8
254.05852	0.3
254.09019	0.2
256.07452	0.4
261.05545	1.4
262.06219	0.6
263.07080	3.5
263.09592	0.3
264.04303	0.4
264.07764	0.8
265.05261	0.2
265.08643	0.6
266.05835	0.2
267.06598	2.5
267.09756	0.3
268.07288	1.2
268.10968	0.6
269.08182	4.6
270.08490	0.3
275.07043	0.5
276.04407	0.2
276.07773	0.4
278.05914	0.3
278.09442	0.5
279.06662	4.0
279.09973	0.3
280.07358	1.0
281.08182	12.0
282.08765	1.6
283.09695	1.5
291.06641	2.1
292.07361	1.1
293.08151	3.3
294.08905	3.8
295.09796	1.2
296.06879	1.4
296.10498	3.3
297.07693	18.5
297.11160	1.4
298.08026	1.5
306.09024	0.3
307.10074	1.2
308.07037	0.3
308.10461	2.5
309.07669	32.7
309.11267	6.9
310.08054	2.4
310.11618	0.7
311.09195	2.2
311.12881	3.8
312.10037	16.6
313.10434	1.9
323.09195	5.6
323.12930	2.8
324.10010	32.2
325.10440	3.3
326.11606	1.0
327.12363	51.9
328.12695	4.0
339.12354	100.0
340.12695	9.6
341.13907	3.0
357.13260	0.9
467.86298	0.2
503.19424	0.5
635.23529	3.9
636.24371	0.6
647.23346	3.4
648.23444	0.4
661.24451	0.2
665.24689	2.1
666.24487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	58.7
60.89464	3.3
61.98831	48.8
65.14962	3.4
71.01376	55.2
72.99320	4.9
73.02936	15.5
73.69695	3.5
83.01383	7.9
85.02933	18.3
87.00858	4.8
88.98809	23.4
89.02432	21.7
95.01384	5.3
99.00867	7.0
101.02429	36.0
113.02428	21.2
115.05548	7.1
117.07094	7.4
119.03493	11.7
119.05071	3.6
125.02460	10.6
153.21140	3.6
161.04538	12.9
161.06058	11.0
168.00764	5.2
185.25789	4.5
187.04007	7.6
256.07376	3.6
311.36771	3.4
315.25403	13.5
324.57181	3.3
357.26389	10.4
459.29880	5.7
461.16040	4.2
477.30554	11.4
503.32263	10.9
519.31976	7.4
525.26807	4.4
543.27710	4.3
561.29108	47.8
605.35449	4.9
629.28064	98.9
630.28156	16.6
665.26361	18.9
665.37402	100.0
666.27130	4.5
666.37836	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	665.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.9
56.27593	2.7
57.03420	3.0
59.01380	100.0
59.01682	4.8
61.98827	61.4
64.32309	2.8
69.50383	20.3
71.01380	99.8
72.99297	5.0
73.02938	12.9
75.00844	3.0
82.95391	2.6
83.01376	9.9
85.02946	35.9
86.00099	3.2
87.00872	19.3
89.01926	4.5
89.02447	75.3
91.05497	2.5
92.55137	2.6
93.03506	2.6
95.01365	5.5
98.20673	5.4
99.00860	7.8
101.02442	65.6
113.02444	40.5
115.05538	9.4
117.07072	3.1
119.03497	26.1
125.02419	5.5
131.03505	8.1
133.06555	5.0
143.03485	14.5
161.04527	27.6
161.06035	8.1
173.09366	2.7
179.05602	85.9
187.03978	9.4
221.06645	35.8
263.07727	33.8
293.14111	3.5
298.05142	2.7
341.26968	10.0
438.58218	2.7
503.32230	27.5
504.32626	3.6
564.07648	3.3
605.34869	4.0
623.35785	5.1
665.27045	5.4
665.37665	73.7
666.37787	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	666.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.1
58.02976	10.7
59.01366	1.8
61.98826	6.7
62.22944	0.6
70.02972	5.4
71.01379	1.5
71.56174	0.9
72.00908	3.7
85.02923	1.4
89.02433	1.3
91.05530	3.8
113.02425	0.9
116.92892	1.2
119.05021	0.8
123.08104	1.6
147.04524	23.9
148.04877	1.2
163.04015	1.2
164.07162	60.2
165.01936	1.2
165.05571	0.8
165.07494	2.7
171.11754	2.8
179.05663	0.8
189.12778	1.1
201.12834	1.4
206.08212	100.0
207.08560	4.6
237.14954	2.8
281.10651	1.2
281.13904	14.7
329.70248	0.8
342.10669	0.7
403.92703	0.8
408.67581	0.7
447.03992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
60.19310	0.5
60.99310	15.8
61.98831	12.4
68.04327	0.4
69.34462	4.0
71.01394	2.9
73.02928	0.9
83.33625	0.4
85.02970	0.9
88.98808	100.0
89.02457	1.3
89.99151	0.9
93.03491	0.4
95.01392	0.9
95.11960	0.4
98.06033	0.4
101.02459	1.9
105.01957	0.6
108.02168	2.9
109.02956	1.1
113.02447	0.9
115.00378	0.4
116.92887	0.7
121.02972	0.7
123.04540	0.8
123.23829	0.4
135.04509	0.6
136.17264	0.4
137.02487	0.6
145.02994	0.9
150.03171	0.6
151.00328	0.6
151.04114	0.5
152.01163	3.6
153.01901	1.6
153.05592	0.6
161.04608	0.6
161.06073	0.5
163.03975	0.6
167.03572	1.2
177.01921	1.5
187.03984	0.6
195.06609	0.5
205.05113	0.5
227.03479	1.4
255.02905	2.2
257.08231	1.4
271.02423	0.8
284.03311	2.7
285.04031	1.2
300.02792	1.5
301.03690	0.6
315.07242	4.6
339.07098	2.2
383.06094	2.0
401.07452	0.5
439.29227	0.6
577.15674	3.6
667.15442	1.1
683.07928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2186
Annotation	Dadahol B
Peak:m/z	Relative Intensity
52.82615	0.3
53.38939	0.3
56.36989	0.3
59.01382	0.4
61.98832	4.8
71.55923	0.4
78.88441	0.4
83.60883	0.3
93.03470	1.3
117.03470	12.1
119.05030	100.0
120.05365	2.8
121.02959	4.0
123.04549	0.7
133.02950	0.8
134.03734	0.3
136.01723	0.3
145.02956	37.9
146.03346	1.1
161.06055	0.6
162.03220	4.4
163.04013	73.5
164.04385	3.3
165.05544	1.1
177.05583	1.3
179.07065	0.5
181.05013	0.8
248.02223	0.3
316.40549	0.4
323.09320	1.1
323.31528	0.3
341.10434	1.6
485.15997	0.6
521.18195	5.6
522.18201	0.7
600.94110	0.4
667.21881	12.5
668.22101	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	667.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
57.03452	3.6
58.00574	2.3
59.01380	42.1
61.98528	1.1
61.98831	15.4
70.93761	1.5
70.99005	0.7
71.01383	37.0
72.99296	2.4
73.02950	7.5
75.00855	0.9
83.01399	4.7
83.05026	0.9
85.02949	14.7
86.03232	0.7
87.00889	3.3
88.98806	2.7
89.02450	21.8
95.01397	2.6
99.00881	3.1
101.02444	24.1
111.00886	1.5
113.02454	13.8
119.03502	8.3
121.02948	1.1
125.02432	1.7
129.69118	0.6
131.03482	1.6
143.03508	1.7
159.01784	0.7
159.02998	1.3
161.04567	4.2
163.03969	1.2
163.06070	0.9
165.09193	7.4
179.05603	7.4
187.03947	0.9
214.10011	0.8
221.06656	1.9
240.76611	0.7
263.07809	2.3
301.96741	0.7
325.27618	0.8
327.14297	1.4
343.28357	3.4
487.32645	2.4
498.99713	0.7
505.33841	16.2
506.34009	1.6
607.37201	0.9
667.39130	100.0
668.39435	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	667.391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
57.03436	2.1
58.00581	1.7
59.01380	34.7
60.01702	0.7
60.99309	3.3
61.98833	7.5
65.28754	0.5
68.22929	0.5
71.01382	33.4
71.05032	0.7
72.01694	0.8
72.99313	2.8
73.02949	9.6
77.82209	0.6
83.01382	6.0
83.04993	1.1
85.02950	16.6
87.00897	4.0
88.98807	19.8
89.02448	14.6
95.01414	3.1
97.02959	0.7
99.00908	3.1
101.02444	29.7
101.06059	2.1
106.02483	0.5
111.00866	3.3
112.40081	0.6
113.01711	0.9
113.02454	12.8
115.05542	1.0
117.07095	0.6
119.03488	6.2
125.02429	1.1
129.01947	0.9
136.01752	0.6
138.18391	0.5
143.03485	1.9
150.03253	0.7
151.04079	0.9
157.55473	0.6
159.02968	1.2
161.04549	2.8
161.05997	1.2
165.05527	2.3
165.39221	0.6
167.03481	2.2
171.78828	0.6
172.35495	0.5
173.65607	0.5
175.03990	0.8
179.05576	1.6
187.04045	1.4
207.06575	0.7
230.52942	0.6
249.07692	0.7
257.08069	0.7
265.25580	0.8
283.26227	0.9
329.08905	0.9
343.28537	5.1
487.32788	2.0
505.33841	34.4
506.34143	4.6
637.38861	0.6
667.39038	100.0
668.39447	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	667.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66439	0.5
55.01884	3.2
57.03456	3.0
58.00592	1.9
59.01381	38.6
60.99303	1.2
61.98826	5.7
69.03427	0.8
71.01384	36.0
71.66411	0.5
72.99307	3.4
73.02956	10.6
75.00861	1.0
76.44418	0.5
83.01389	7.4
83.05042	0.7
85.02955	17.4
86.00079	0.5
87.00878	2.6
88.98814	12.5
89.02447	18.7
95.01385	3.4
98.19833	1.1
99.00871	3.3
101.02447	27.9
101.06068	2.6
111.00868	2.8
113.02454	13.0
114.02760	0.7
115.05502	0.7
119.03500	6.3
123.11118	0.6
125.02428	1.2
129.01932	1.2
131.03526	1.4
141.01961	0.7
143.03525	2.0
145.02806	0.5
149.04521	0.7
150.03288	0.6
159.02986	1.4
161.04533	2.9
161.05992	1.0
165.05574	1.3
167.03514	1.2
179.05618	1.7
184.31621	0.5
187.03975	1.0
189.56950	0.5
240.31044	0.5
329.08841	0.8
343.28558	5.7
487.32635	1.4
505.33838	34.7
506.34140	4.1
567.30341	1.2
637.38269	1.2
667.39081	100.0
668.39380	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	668.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.2
61.98829	100.0
67.81496	0.2
69.46009	0.4
69.46419	1.0
71.01389	0.9
72.99324	0.2
73.02957	0.6
83.01393	0.5
85.02954	0.4
87.00887	0.3
88.98801	0.3
89.02442	0.4
95.75521	0.2
101.02448	0.8
113.02431	0.5
116.92921	0.2
134.03766	0.2
160.01694	0.5
161.04543	0.2
163.04015	0.2
171.87956	0.2
174.01868	0.2
175.04005	0.5
175.06244	0.2
179.03430	0.2
187.55299	0.2
191.05588	0.3
193.05075	0.2
216.79575	0.2
292.85925	0.2
301.10596	0.2
309.07541	0.2
335.33344	0.2
337.09204	0.5
339.12497	0.4
356.75333	0.2
669.22833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
59.41627	0.5
60.99301	0.7
61.98828	4.0
69.03452	2.2
69.22736	2.4
69.23168	3.6
71.01363	2.1
73.02915	0.9
83.01394	1.4
85.02956	1.4
87.00898	0.7
88.98812	8.2
89.02446	3.1
95.01414	1.7
97.02946	2.3
100.35766	0.5
101.02452	1.2
105.01978	0.6
107.01408	0.7
108.02190	0.9
119.05048	0.8
123.00867	3.5
123.04491	0.8
124.01671	12.0
125.02446	46.4
126.02791	1.3
137.02435	1.1
145.02954	1.4
149.99579	18.9
151.00423	2.8
161.04568	0.9
165.01913	0.6
167.03493	1.9
168.00639	50.1
169.01379	5.5
175.02589	0.9
184.90564	0.6
192.00757	0.7
194.66891	0.7
211.02493	0.7
228.77054	0.6
234.50648	0.8
236.66151	0.7
257.08191	1.5
258.08685	0.9
285.03885	1.2
313.05621	7.9
331.06696	100.0
332.07071	6.2
339.06918	0.7
367.10150	0.9
399.00351	1.3
399.05646	26.5
400.05975	2.4
669.16608	17.3
670.17291	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	669.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54718	0.2
56.96003	0.2
59.01383	1.3
60.99305	16.7
61.98828	0.9
61.99640	0.2
71.01372	0.6
85.02968	0.4
88.98807	100.0
89.02436	0.6
89.99133	0.8
98.19894	0.8
101.02461	0.4
105.45403	0.2
113.02343	0.2
125.02436	0.3
133.06645	0.2
171.02339	0.2
177.22075	0.2
177.83597	0.2
179.71045	0.2
241.05098	0.4
256.07425	0.8
271.09760	0.7
400.16650	0.3
507.35303	0.3
579.20880	1.0
580.21375	0.3
616.70856	0.2
668.39636	0.3
669.40485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	8.5
61.98830	7.3
63.71102	1.3
65.88697	1.2
66.61211	1.3
85.77953	1.2
93.03461	9.3
103.39560	1.3
111.55774	1.3
116.14635	1.5
117.03477	16.8
119.05029	53.4
120.05356	4.1
121.02959	10.1
121.06592	8.4
123.04529	3.8
136.01643	1.5
145.01869	2.7
145.02956	27.8
149.02466	1.7
162.03229	15.8
163.04012	90.3
164.04385	3.7
165.05576	100.0
166.05894	4.7
177.05566	12.2
187.04056	3.6
194.30080	1.5
210.77747	1.5
221.72528	1.3
248.56239	1.6
309.43790	1.4
341.10086	2.0
343.11783	2.1
351.12646	1.4
379.11984	4.3
393.06195	1.4
473.15891	2.4
485.16281	14.2
486.16318	1.6
669.23254	11.5
670.23718	2.1
697.32068	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96091	0.7
55.01874	2.7
57.03448	2.9
58.00578	1.8
59.01380	33.3
60.01708	0.6
61.98831	30.6
65.40926	0.6
71.01379	36.9
71.11066	0.9
71.11434	1.1
72.01702	0.7
72.99303	2.7
73.02949	8.2
75.00875	0.7
83.01380	5.4
85.02954	15.7
86.03326	0.6
87.00887	3.2
87.04525	1.1
88.98795	0.8
89.02445	18.6
95.01372	3.8
96.68948	0.6
96.95998	0.9
97.02948	1.2
99.00891	3.7
101.02446	27.5
111.00855	2.1
113.02459	14.9
119.03497	5.3
119.04998	1.6
121.02970	0.8
123.00855	0.6
123.04483	1.1
123.08144	0.6
125.02463	1.5
129.02002	1.0
131.03467	0.7
143.03471	1.6
145.02948	1.0
158.47441	0.6
159.02960	1.3
161.04582	3.6
161.05779	0.7
163.03947	1.6
167.03551	1.0
179.05630	2.7
187.03931	1.5
255.79051	0.7
301.03690	0.8
301.07245	1.3
301.10669	1.0
311.07895	0.9
345.30115	5.9
489.33771	0.7
507.35352	15.6
508.35617	1.8
523.35046	0.9
669.40680	100.0
670.40906	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	671.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.0
61.98825	1.5
67.09879	0.2
85.75298	0.2
93.03462	6.1
98.20831	0.2
107.05043	0.4
108.02176	0.3
119.05026	1.7
121.06595	6.7
122.06937	0.2
127.50599	0.2
135.04523	0.6
136.01604	0.4
136.40450	0.3
145.02954	1.1
146.03732	0.5
147.04533	1.1
150.03198	0.9
150.13251	0.3
151.04022	0.3
161.02483	0.5
161.06053	0.3
162.03233	4.2
163.04002	3.1
165.05568	100.0
166.05901	4.2
177.05560	7.0
179.07130	8.9
180.07411	0.4
186.90392	0.3
195.06612	0.4
219.06656	0.2
230.01207	0.4
294.38089	0.2
304.30441	0.2
313.10922	1.3
325.10739	0.6
343.11792	2.6
353.91339	0.3
475.17682	1.3
487.17523	4.6
488.17920	0.7
523.19586	0.9
587.49408	0.3
671.25128	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77393	1.1
55.01882	6.3
57.03442	4.7
57.93177	1.2
58.00598	1.1
58.27810	1.0
59.01101	1.9
59.01382	30.8
60.99300	2.3
61.98836	9.7
69.03481	2.8
71.01385	92.6
71.56520	1.5
71.56921	1.2
72.01751	1.0
72.99324	2.0
73.02952	31.0
74.03330	1.2
75.00887	1.7
81.03465	1.5
82.95401	2.6
83.01397	12.8
85.02956	49.6
87.00888	5.1
88.98809	16.3
89.02454	7.0
95.01390	13.3
97.02957	4.9
99.00886	14.2
101.02450	53.0
103.17944	1.1
104.16180	1.1
108.02181	27.2
109.02953	59.6
110.03307	2.2
112.01653	1.5
113.02454	46.8
113.03254	2.6
119.03503	1.8
123.00880	6.0
123.04541	2.1
125.02460	5.1
129.01921	1.4
135.04488	1.6
137.02420	2.3
138.70238	1.2
141.01883	1.7
143.03474	7.7
151.04051	2.3
159.02975	10.0
160.01732	1.5
161.04562	82.4
162.04863	2.4
165.05515	1.0
169.01448	2.8
175.02647	1.5
175.04054	2.2
184.82784	1.1
193.05006	1.5
227.29504	1.2
265.14545	2.0
271.08218	49.4
272.08505	3.1
285.03772	1.6
313.09134	2.4
327.41745	1.3
331.17621	41.1
332.18011	3.0
339.07214	100.0
340.07538	8.5
362.10339	1.1
373.18573	1.2
377.80701	1.1
389.94727	1.3
399.16595	90.7
400.17020	8.2
481.56442	1.2
484.04654	1.3
671.25604	3.1
677.55292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90799	0.9
55.01873	5.2
57.03442	5.4
58.00591	1.0
59.01380	34.4
61.98825	12.7
68.99821	1.1
69.03468	3.4
69.18875	3.7
69.19305	6.6
71.01381	100.0
72.01752	1.3
72.99326	1.8
73.02942	27.3
75.00876	2.8
78.47900	0.9
81.03472	1.9
83.01387	14.4
85.02950	47.6
87.00896	5.3
89.02450	9.2
95.01378	12.0
96.78449	0.9
97.02962	4.4
98.19841	1.6
99.00880	14.8
101.02441	54.6
102.02725	1.2
108.02174	23.9
109.02951	47.2
110.03323	1.5
111.00902	0.9
111.04434	0.9
113.02451	41.5
114.02771	1.2
115.00407	2.2
115.04021	1.1
119.03510	2.4
123.00897	4.3
123.04530	1.5
124.73716	1.1
125.02450	3.6
129.01939	2.0
135.04483	1.2
143.03511	8.3
145.03014	1.3
151.04002	1.6
159.02963	10.2
161.04549	79.9
162.04724	1.4
163.03986	1.4
165.05615	1.7
169.01372	1.5
175.02528	1.7
205.05075	1.9
253.07164	2.8
271.08221	49.2
272.08566	2.1
331.13626	1.7
331.17633	33.5
332.17987	2.7
339.07181	76.5
340.07553	4.9
399.16592	74.3
400.16895	7.2
429.14771	1.2
671.26465	1.3
671.36560	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	671.268
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
50.52623	5.2
61.98825	16.9
71.56063	6.0
78.95889	5.6
91.88686	4.8
94.95444	4.7
95.79612	4.6
97.02507	4.7
220.37347	5.5
256.27472	5.0
478.45001	5.2
606.83618	6.2
636.29083	5.1
671.16754	9.1
671.26886	100.0
672.27185	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	671.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
56.24283	0.7
57.03452	1.0
59.01380	100.0
61.98828	6.0
69.52985	4.8
70.06948	0.6
71.01382	12.2
72.99338	0.8
73.02953	4.0
83.01393	1.4
85.02965	5.7
85.29207	0.8
87.00916	0.7
89.02461	3.2
95.01400	0.7
96.44410	0.6
99.00905	1.7
101.02447	9.6
108.02207	2.4
113.02448	4.8
131.03481	1.0
145.02965	0.7
152.01144	1.9
153.01987	1.4
154.85390	0.7
161.04605	3.9
177.01886	1.4
235.11848	20.4
235.14104	1.2
236.12279	0.8
238.91441	0.7
274.85593	0.8
277.12909	9.4
278.13513	0.9
285.04031	0.9
287.91348	0.7
315.07327	2.2
339.07455	0.9
349.18832	3.5
383.06320	1.7
609.14880	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	671.3623
Annotation	CHEBI:69144
Peak:m/z	Relative Intensity
51.23382	1.4
52.97606	1.3
55.01872	1.8
57.03432	1.9
58.02962	3.7
59.01383	13.7
60.99302	2.2
61.98533	2.0
61.98829	31.7
69.18979	15.4
71.01385	20.3
73.02940	5.4
73.04061	5.1
73.76599	1.2
75.00858	2.5
82.02962	3.2
83.01379	4.8
84.04491	1.5
85.02937	8.4
87.00860	2.3
87.05621	2.6
88.04056	3.4
88.98817	8.9
89.02433	4.5
90.83393	1.5
95.01376	2.3
98.02403	1.4
99.00883	2.3
101.02438	9.1
103.32359	1.4
105.01903	1.8
108.02164	4.8
109.02984	6.8
109.04058	3.6
110.02477	2.3
111.00790	1.5
112.04015	3.0
113.02428	8.8
115.05145	2.0
115.08749	4.2
116.07144	1.7
123.05636	2.0
124.01634	1.5
124.04016	6.5
125.02474	7.8
125.07156	1.5
126.05611	4.3
127.05130	19.7
128.03546	7.2
129.06685	3.2
130.05147	1.6
130.08745	68.8
134.03690	1.8
135.04475	2.2
137.02470	3.6
137.07190	5.8
138.05539	2.9
139.05121	1.8
140.07243	1.9
141.06703	2.8
144.07733	1.6
145.02939	2.0
148.32808	1.6
149.02393	1.6
151.00368	3.5
151.04018	1.7
153.01897	1.6
154.09818	2.2
155.08224	2.9
161.04561	12.3
165.05492	2.6
166.06224	20.5
167.03461	4.5
167.04651	3.6
168.09068	1.9
169.06084	1.8
169.13452	1.8
171.15099	1.5
172.10895	3.8
175.02480	2.3
177.01935	2.3
178.99858	1.8
180.07756	3.7
181.06166	5.3
184.07280	38.9
185.05670	1.5
185.16583	15.8
186.08812	1.8
186.16957	1.7
187.04001	3.5
193.05043	1.8
195.02991	2.2
195.15042	1.9
197.12927	3.6
198.08855	3.5
207.02917	1.9
211.11952	1.8
214.11864	1.4
227.03294	1.9
229.05234	1.8
229.13516	1.6
229.15553	5.8
237.09953	2.5
239.56317	1.8
255.02959	4.6
255.10953	6.5
257.04593	2.3
264.17249	1.6
265.12961	2.7
269.04398	1.8
271.08057	6.8
283.02414	5.7
283.14133	2.6
284.03229	6.2
284.23419	17.3
285.04065	21.4
295.07028	3.0
315.10001	2.3
328.22397	2.0
331.17532	4.9
337.08365	6.7
339.07074	10.6
341.25452	4.0
345.05890	2.9
369.10867	2.6
385.24600	6.6
399.16690	10.7
400.16650	2.3
439.25107	2.3
496.27902	23.3
497.28220	2.5
501.10440	16.1
523.29761	1.5
533.12781	1.5
540.30139	4.6
567.31244	4.5
577.12122	3.0
609.15833	1.7
609.32446	22.1
610.32880	3.9
627.33582	65.1
628.33759	10.3
639.18170	7.4
653.35004	8.3
671.18921	3.6
671.20953	3.4
671.36218	100.0
672.36566	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	672.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17580	0.5
61.98830	67.4
63.94433	0.6
93.03481	1.2
98.19790	0.8
107.01419	2.0
122.22823	0.5
125.02515	0.6
135.00848	1.3
137.02455	0.6
144.56276	0.5
151.00391	2.6
151.33839	0.6
159.04533	0.6
163.00400	1.6
164.01160	0.7
169.06592	0.8
171.04497	0.5
171.34082	0.5
185.06088	2.1
187.04007	1.8
189.05429	0.5
199.03964	0.8
211.04021	2.0
213.05542	1.4
220.62433	0.5
227.03490	31.4
228.03888	2.3
229.05002	8.3
229.13765	0.6
239.03470	1.4
240.04172	0.7
241.05048	0.9
255.02985	48.5
256.03519	6.4
257.04535	5.6
283.99918	0.7
284.03250	51.8
285.04022	81.5
286.04404	5.4
354.70407	0.6
447.41217	0.6
609.14575	100.0
610.15002	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	672.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
59.09811	0.5
59.51490	0.5
60.02533	0.6
61.07533	0.5
61.98832	100.0
65.00378	0.5
71.01393	2.0
71.56208	1.0
74.02490	0.6
80.48540	0.5
83.01398	2.0
83.90036	0.5
85.02977	0.8
93.03470	1.9
95.01386	0.9
101.02453	0.5
108.02184	3.7
110.00099	0.6
111.00902	1.1
113.02482	0.7
114.33125	0.6
117.03463	3.0
119.05063	1.5
123.00883	1.9
123.04559	1.2
124.01698	1.2
125.02498	1.2
133.02969	1.2
135.00925	1.4
135.04552	1.1
137.02484	1.3
139.00423	1.9
141.01938	1.2
143.04987	0.9
143.90060	0.5
145.02979	2.6
148.05363	0.9
149.02487	0.6
151.00368	1.3
156.00888	0.7
158.03838	0.6
159.04527	1.0
161.02534	0.7
163.00397	3.7
175.02534	0.7
175.03989	0.7
176.04768	1.5
178.99794	0.6
180.00682	0.8
181.01520	1.0
185.06061	1.0
187.03969	2.6
189.02039	0.7
189.05692	1.1
190.02722	1.8
191.03526	1.3
191.95328	0.7
200.04774	1.6
201.05563	0.7
203.03645	0.6
205.05156	0.6
211.04025	1.5
213.05461	1.0
215.03517	1.5
226.00687	0.6
227.03522	2.1
229.05190	1.4
232.03775	6.0
233.04552	2.0
239.03496	1.9
255.03049	2.8
256.03818	2.5
257.04550	6.5
258.01740	0.8
258.05048	0.7
271.02509	0.9
272.03479	0.7
272.06833	1.3
283.02554	1.8
284.03271	0.8
285.04037	2.7
287.09399	0.8
297.06113	0.9
300.02820	3.8
301.03619	1.1
425.51328	0.5
489.13306	1.1
499.14725	1.8
541.15607	4.2
565.15814	1.1
567.13800	1.1
591.13416	0.8
609.14569	39.9
610.14923	5.6
673.22382	1.0
679.63922	0.8
697.65955	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	59.2
69.85809	3.8
107.01385	1.4
108.02160	1.6
135.00902	0.7
148.01689	1.4
151.00334	3.8
152.00961	0.8
163.00259	1.1
164.01060	0.8
178.99843	3.2
226.02536	1.0
227.03522	2.8
243.03011	8.3
244.03401	0.9
254.02196	2.1
255.02963	25.9
256.03387	1.4
271.02469	55.7
272.03021	4.3
284.03220	3.2
285.04056	1.4
288.47510	0.7
299.02197	1.9
300.02744	100.0
301.03192	9.3
330.77454	0.8
392.92752	0.9
447.12869	0.8
609.14600	90.8
610.14923	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	672.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.6
61.98830	100.0
71.01392	1.8
71.55672	0.5
85.02966	0.8
101.02459	1.6
115.00397	1.0
132.43596	0.5
151.00352	1.0
161.04556	0.6
165.05692	0.5
175.02451	3.0
209.53996	0.5
227.03551	1.5
235.11905	2.0
245.37016	0.5
255.03015	10.1
256.03442	0.9
271.02576	0.5
277.12997	0.7
283.02478	21.9
284.03177	4.7
285.04031	17.6
286.04477	1.4
293.11490	0.6
300.02753	0.7
311.05704	0.8
327.05103	0.8
340.07813	0.7
357.06677	0.5
379.69147	0.6
446.08472	4.6
447.09268	12.0
448.09436	1.1
473.11255	1.5
489.10449	1.4
609.14532	30.6
610.14783	4.7
626.36072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28356	1.6
59.01394	1.9
60.54341	1.5
61.98833	14.7
67.20457	1.6
69.84158	8.7
76.18616	1.4
83.33449	1.8
107.01370	1.8
109.03027	1.6
111.23988	1.7
120.69366	1.4
121.02921	1.7
151.00360	9.8
151.01439	1.7
177.13152	1.6
178.99873	3.7
227.03519	3.8
243.02988	7.8
255.02989	23.4
271.02475	42.8
272.02881	2.7
284.03293	2.6
285.03952	4.2
300.02744	76.8
301.03464	25.7
311.27252	1.7
609.14581	100.0
610.15002	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	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61479	0.8
54.36265	0.8
55.23738	0.7
57.85049	0.7
59.01375	1.4
61.98833	58.9
69.28209	7.1
69.28632	1.8
72.01763	0.9
78.95882	1.2
83.01376	1.7
88.98831	1.2
93.03526	1.5
94.48234	0.8
107.19907	0.9
108.02183	13.7
109.02361	1.6
109.02946	3.9
110.00120	2.5
110.03271	1.7
111.00902	0.9
123.04482	0.8
137.99602	1.9
139.00352	3.8
145.22380	0.9
151.00401	1.7
152.01158	14.5
153.01872	6.0
154.02257	1.3
161.04637	1.2
165.99086	7.2
166.99796	2.8
167.52773	0.8
169.60056	0.9
177.01945	6.2
178.02191	2.6
195.06430	1.1
211.03987	1.8
215.50374	0.8
222.30856	0.9
227.03432	2.3
228.04123	1.1
243.03004	11.5
254.02359	1.6
255.02956	23.4
256.03439	2.3
262.25757	1.0
271.02499	14.8
272.03119	4.8
283.02496	37.5
284.03064	4.9
285.03973	4.3
287.27188	1.0
292.76471	0.9
300.02771	28.9
301.03436	8.3
304.02051	1.1
309.03967	1.0
313.34180	0.9
315.07211	12.0
316.07443	8.6
327.05048	1.5
339.07224	6.0
340.07571	5.8
340.10992	1.0
383.06012	4.4
384.06592	6.8
385.06613	1.1
446.08755	5.4
600.11981	0.9
609.14594	100.0
610.14960	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	672.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.6
61.98497	1.8
61.98829	33.3
69.48386	4.6
69.48815	5.2
71.01401	3.1
85.02940	1.4
89.24716	1.3
101.02437	2.7
107.01353	1.2
113.02455	1.3
131.20410	1.5
133.02957	7.7
135.04460	2.8
161.02466	1.5
175.02452	2.6
175.03978	2.3
177.01920	2.2
177.05522	1.7
235.11829	3.2
255.02998	4.1
283.02570	3.0
285.03903	3.1
292.07687	1.4
297.03845	1.4
298.04730	6.4
299.05591	2.2
311.05563	4.5
312.06293	5.6
313.07230	6.4
327.04980	3.0
339.05090	9.4
341.06631	3.1
357.06030	2.4
369.06125	32.8
370.06451	1.6
381.05969	4.0
382.06503	1.5
399.07162	23.0
400.07520	3.3
411.07123	3.9
429.08328	6.5
440.81107	1.5
441.08356	1.4
443.76605	1.3
447.09128	1.5
471.09689	2.4
480.99521	1.5
489.10312	13.7
519.11298	4.2
609.14575	100.0
610.14954	13.4
643.29114	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
59.27453	0.5
61.04009	0.5
61.98829	8.6
69.79922	2.4
71.01002	0.9
71.01381	11.2
72.99305	1.0
73.02939	1.2
81.14946	0.5
85.02942	1.7
87.00875	22.8
112.49712	0.5
112.98856	0.6
113.02437	1.1
115.00375	37.0
116.00717	0.7
127.00368	1.1
175.02469	100.0
176.02805	1.7
177.01830	1.2
204.00592	1.3
293.04437	1.3
311.05768	2.6
451.95422	0.7
473.11200	3.4
474.11011	0.6
491.11691	0.9
609.14697	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	672.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66093	0.2
59.01381	2.5
61.98832	100.0
71.01379	2.3
71.56639	0.3
71.57005	0.3
72.99331	0.3
73.02956	0.5
79.52398	0.2
80.12702	0.2
83.01402	0.5
85.02974	0.8
87.00880	1.0
88.98844	0.4
89.02462	0.8
93.03528	0.4
95.01389	0.3
99.00912	0.5
101.02444	1.0
108.02164	0.5
108.53255	0.2
109.02952	1.1
112.98861	0.8
113.02469	0.8
115.00358	1.1
123.00887	0.5
124.01683	0.3
125.02451	0.4
132.02130	0.2
133.03009	0.2
134.03740	0.7
135.04546	0.4
137.02440	0.2
141.21674	0.2
143.03589	0.3
149.02499	0.2
150.03247	0.5
151.00365	0.5
151.03960	0.4
160.01656	1.4
161.02440	0.7
161.04602	0.8
162.03226	0.4
165.05568	0.5
173.00890	0.4
175.02515	2.4
175.04056	1.3
177.05553	0.2
179.03510	0.5
180.04315	0.9
191.03641	0.2
193.05086	0.5
195.06636	1.7
225.75726	0.2
227.03502	1.9
228.03905	0.8
255.03026	3.2
256.03372	1.6
257.04279	0.2
271.08215	0.5
283.02408	0.5
284.03256	4.4
285.03845	3.5
286.04367	0.6
301.03601	0.3
323.07745	0.3
337.09286	0.4
339.07346	0.9
340.07510	0.4
341.10367	0.7
357.12225	0.5
399.16895	0.6
400.16946	0.5
447.09497	0.8
477.14041	2.0
591.13757	0.6
609.15771	0.5
635.16321	1.6
636.16504	3.3
637.16870	0.4
652.11761	0.3
652.22784	0.3
672.21014	0.7
672.37183	0.4
700.79730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89634	0.1
59.01373	0.4
60.52104	0.1
61.98829	100.0
62.98532	0.2
69.22375	0.9
69.22782	0.2
71.01401	0.2
85.02991	0.1
89.02486	0.1
101.02428	0.2
131.50699	0.1
271.06204	0.5
286.08423	0.6
301.10828	0.6
414.56387	0.1
609.21735	1.1
610.22144	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	672.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
60.01713	0.3
61.98831	100.0
62.98550	0.2
70.02081	0.5
71.01399	0.6
82.82989	0.2
85.02987	0.2
101.02463	0.3
104.61534	0.2
113.02450	0.3
115.05536	1.1
116.05881	0.2
117.07133	0.4
133.06630	0.5
135.04524	0.2
143.05112	0.2
146.03677	0.2
160.00439	0.2
161.06082	1.2
162.06413	0.2
163.03993	0.2
165.05585	0.3
179.07101	0.3
187.03983	1.9
187.05521	0.2
188.04417	0.3
205.05093	0.2
251.25844	0.2
253.72285	0.2
281.74582	0.2
337.67590	0.2
476.15750	0.2
511.17511	0.7
612.34674	0.2
630.35919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11953	2.1
56.69675	1.9
58.78476	2.1
59.01380	26.6
61.98835	100.0
64.21356	1.9
69.17480	2.0
69.72275	13.6
71.01386	17.8
72.44543	2.2
73.02984	2.4
83.14321	2.0
85.02938	5.2
87.00888	3.9
89.02450	20.3
91.05501	2.9
94.06602	3.3
98.19904	2.7
101.02449	10.4
113.02462	9.4
115.05547	6.2
117.07123	6.0
119.03484	7.2
133.06535	3.6
134.06091	4.0
143.03477	4.6
161.04637	3.9
161.06065	9.7
163.04027	4.7
179.05614	15.3
187.03990	20.7
188.04347	4.0
211.13356	3.3
385.11246	10.1
421.60349	2.1
629.25751	4.7
641.23578	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	673.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61885	0.6
59.01379	4.9
61.98831	3.2
69.48616	4.5
71.01386	6.4
73.02956	1.3
73.04714	0.6
77.54353	0.5
83.01392	0.6
85.02948	2.0
87.00898	0.7
89.02442	4.1
93.03465	1.5
95.01375	2.4
96.01768	0.7
101.02444	1.8
113.02430	2.6
115.00402	0.9
119.03510	1.3
119.05007	0.9
121.02956	4.7
122.03772	4.2
123.00890	28.6
123.04544	1.1
124.01678	18.0
125.02420	1.4
132.02182	8.9
133.02995	4.6
134.03748	14.7
135.04533	4.5
137.02422	2.3
138.03233	9.1
139.00380	0.6
139.04021	7.9
149.02448	9.5
149.06125	4.6
150.03233	24.6
151.03908	2.0
160.01663	53.6
161.02457	16.2
162.02892	0.7
163.03958	0.8
164.04720	1.4
165.05571	18.5
166.05933	0.8
175.04004	63.7
176.04370	2.4
178.02760	3.5
179.03558	2.9
179.05627	0.6
179.07137	1.1
180.04208	1.5
181.05118	0.9
191.07140	0.9
193.05054	14.1
194.05444	0.9
195.06641	6.6
217.05229	0.9
235.06116	1.6
247.05995	0.8
250.06294	2.2
255.02797	0.9
282.09027	3.3
284.03253	0.8
285.04071	1.1
286.04272	0.8
296.07220	1.0
296.57401	1.4
297.07443	1.7
297.57748	1.1
323.07672	2.7
337.09277	13.1
338.09714	1.2
338.48923	0.7
341.06198	1.1
341.10306	13.7
342.10547	1.6
371.11191	0.9
425.12512	1.4
461.29208	0.7
476.13184	3.2
477.14011	100.0
478.14307	12.0
485.14453	1.9
531.15308	3.0
573.27142	0.7
593.67047	0.8
625.19397	7.2
626.19452	1.5
673.21027	1.1
679.08685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01098	0.9
59.01382	9.6
61.98827	7.1
70.88663	0.9
71.01382	4.3
72.05563	0.6
73.02948	1.5
83.01387	0.8
85.02957	5.1
88.47105	0.6
91.05534	8.9
95.01406	0.6
97.02954	0.9
101.02447	1.3
113.02441	4.8
115.05561	3.9
117.07108	54.5
118.07439	2.6
125.02460	0.8
128.91727	0.6
133.06596	4.0
134.16615	0.7
135.04549	1.3
143.03528	5.0
161.06081	100.0
162.06406	6.4
163.03964	1.5
169.12352	0.7
173.55623	0.6
179.07114	0.9
187.03999	10.4
205.05055	84.5
206.05438	4.0
223.06123	2.1
259.99457	0.7
383.13602	1.1
426.21848	0.7
469.13489	35.5
470.13892	3.7
675.19421	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	675.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01382	9.2
61.16406	0.1
61.98833	3.8
63.14764	0.1
68.99789	0.1
69.03461	0.2
69.25863	1.3
71.01383	4.4
72.99335	0.2
73.02952	1.5
77.80262	0.2
81.03452	0.4
83.01388	0.4
85.02956	4.3
87.00885	0.5
89.02459	0.2
91.05533	9.6
92.05859	0.2
93.03453	0.2
95.01396	0.6
97.02958	0.7
99.00897	0.3
99.04530	0.2
101.02438	1.2
109.06207	0.1
113.02450	4.8
115.05540	3.6
115.06221	0.1
116.05859	0.2
117.07108	55.9
118.07441	2.8
119.03523	0.2
125.02474	1.2
131.03479	0.2
133.06592	4.7
134.06958	0.2
135.04504	1.0
143.02400	0.3
143.03502	5.2
155.03447	0.2
161.06079	100.0
162.06415	4.3
163.03998	1.3
177.05620	0.2
179.07117	0.4
187.04005	9.9
188.04305	0.5
203.05624	0.4
205.05049	81.3
206.05386	4.5
223.06107	2.3
341.12241	0.3
383.13464	1.0
409.11459	0.3
425.14359	0.2
453.60947	0.2
469.13489	37.5
470.13834	4.4
471.34528	0.3
675.19153	2.4
676.19507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01380	11.2
61.98828	9.2
69.03454	0.7
70.40906	1.3
71.01385	10.2
73.02948	2.4
81.03448	1.1
83.01408	1.0
85.02949	11.6
87.00859	0.9
91.05534	13.7
94.44743	0.4
95.01371	1.2
97.02970	1.8
99.04537	0.9
101.02461	1.7
113.02454	12.6
115.05526	4.8
117.07108	54.8
118.07455	2.1
125.02440	2.1
133.06589	5.7
134.06903	0.5
135.04527	1.4
143.03502	20.9
143.16212	0.5
144.03790	0.6
144.76355	0.4
161.06081	100.0
162.06439	4.8
163.04001	2.7
179.07068	0.5
187.04015	14.3
188.04396	0.7
203.05574	0.8
205.05052	99.9
206.05345	5.3
223.06123	8.0
265.07175	0.9
349.09094	0.9
425.14621	1.2
469.13477	20.5
470.14169	2.3
675.19275	8.4
676.19574	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	675.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
59.01384	10.1
65.29072	0.2
68.99557	0.3
69.21304	2.6
71.01385	4.4
71.19685	0.2
73.02937	1.5
75.25172	0.3
83.01407	0.7
85.02959	4.5
87.00864	0.4
89.02444	0.3
91.05534	14.0
92.05864	0.5
95.01391	0.3
97.02977	0.8
99.04559	0.3
101.02473	1.3
112.96449	0.3
112.98608	0.3
113.02443	4.8
115.05539	3.6
117.07109	55.6
118.07441	2.2
125.02444	0.8
133.06592	4.4
133.07518	0.3
135.04529	0.7
143.03506	6.0
146.65569	0.3
161.06082	100.0
162.06415	5.0
163.04027	1.4
179.07149	0.3
187.04007	10.6
188.04323	0.4
203.05656	0.3
205.05058	84.0
206.05418	4.8
223.06110	2.1
265.07034	0.3
383.13446	0.8
409.11581	0.6
450.68698	0.3
469.13507	37.6
470.13849	4.2
675.19147	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	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	17.0
61.98825	2.5
68.25545	0.4
69.03458	0.6
69.50224	2.4
71.01385	7.3
73.02948	5.4
83.01389	1.5
85.02950	5.4
87.00894	0.6
91.05532	13.2
92.05892	0.5
95.01415	0.8
97.02947	1.4
99.04539	0.6
101.02444	4.2
103.71026	0.4
111.12901	0.3
113.02460	8.0
115.05540	4.0
116.92863	0.5
117.07109	51.9
118.07417	1.7
118.95102	0.4
125.02470	2.5
133.06610	4.9
135.04514	1.4
143.03503	11.1
149.04579	0.7
155.03531	0.6
161.06084	100.0
162.06415	4.7
163.03999	1.7
179.07298	0.5
185.04492	0.7
187.04013	16.3
188.04303	0.8
203.05617	1.7
205.05055	90.2
206.05394	6.4
223.06111	2.5
226.40640	0.5
256.07431	0.5
271.09607	0.7
287.32053	0.4
314.25867	0.4
383.13812	0.6
390.74979	0.4
469.13522	28.7
470.13895	3.4
482.48474	0.4
515.47449	0.4
675.19238	4.3
676.19427	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43129	0.3
59.01383	18.4
61.98830	8.7
69.03447	0.6
69.19984	3.8
71.01383	8.1
73.02947	6.4
76.86748	0.3
76.98743	0.4
77.48866	0.4
81.03478	0.6
83.01384	1.9
85.02946	5.4
87.00879	0.7
88.98824	0.4
89.02441	0.5
89.38047	0.4
90.81783	0.3
91.05534	9.7
91.65681	0.4
95.01382	0.6
97.02959	1.2
99.00890	0.5
99.04504	0.7
101.02452	5.1
110.08096	0.3
113.02450	8.3
113.03248	0.5
114.02753	0.4
115.05541	4.4
117.07108	53.4
118.07446	2.0
119.03529	0.7
125.02479	2.4
129.60741	0.4
131.03539	0.4
133.06602	5.4
135.04523	1.2
143.03503	10.9
144.03798	0.4
149.04585	0.7
155.03517	0.6
161.06081	100.0
162.06433	5.0
163.04063	2.0
183.13971	0.8
185.04587	0.5
185.11778	0.7
187.04008	16.4
188.04329	0.8
203.05602	1.3
205.05055	92.4
206.05400	4.7
211.13376	1.6
223.06140	1.9
226.12999	0.4
263.07751	0.6
342.80460	0.4
345.42627	0.4
383.13226	1.0
469.13507	29.8
470.13889	3.1
513.19122	0.6
619.83862	0.5
675.19067	4.7
675.35718	2.1
676.19537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30243	1.1
59.01379	7.8
60.33919	1.1
61.98823	4.0
69.44294	7.0
69.44697	2.0
71.01380	3.8
75.00886	1.1
81.37934	1.3
85.02937	2.1
89.02449	3.7
101.02431	1.3
104.51739	1.2
113.02435	1.4
117.03457	21.0
119.04993	6.0
130.68825	1.3
130.88565	1.2
131.03529	1.6
137.46815	1.2
145.02951	100.0
146.03307	5.0
161.04532	3.3
161.05981	1.7
163.04010	15.9
179.05597	16.3
187.03998	4.7
191.05592	1.5
205.05092	1.8
265.07108	2.9
325.09262	33.5
326.09540	2.4
539.51147	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00800	1.2
59.01370	8.4
61.98832	4.3
64.98956	1.1
71.01373	7.6
72.99317	3.7
73.02938	2.9
83.01385	3.6
85.02967	4.0
87.00877	4.4
87.04523	1.1
89.02431	3.1
96.96017	1.5
99.00910	8.6
100.01668	3.1
101.02454	4.9
103.04027	2.3
111.00897	6.2
113.02467	2.8
113.99596	25.7
114.00392	1.9
115.00395	10.1
119.03513	1.5
125.02471	1.4
128.01173	2.0
129.01953	2.7
143.03404	1.6
156.00653	39.8
157.01291	2.5
161.04514	1.2
163.03865	1.1
163.06122	5.6
164.04710	1.4
168.92667	1.1
169.01358	1.3
174.01695	100.0
175.02437	9.5
179.07172	1.3
187.04082	1.8
205.07227	2.8
239.40506	1.1
247.08237	1.7
264.65298	1.3
270.84369	1.1
421.53778	1.3
429.21198	2.3
557.26221	8.1
575.26837	10.0
607.14972	1.2
615.26703	13.3
616.26868	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	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
57.03450	1.5
58.00595	2.4
59.01380	54.4
60.01711	0.6
61.98820	0.3
67.01892	0.5
68.99820	0.7
69.03451	2.6
71.01383	45.3
71.44492	0.3
72.01732	0.5
72.98927	0.3
72.99309	3.2
73.02950	7.6
74.03296	0.3
75.00883	1.0
79.01887	0.3
81.03457	2.1
83.01388	5.7
83.01881	0.3
83.05037	0.6
84.02182	0.3
85.02951	10.5
86.00107	0.6
87.00877	11.6
87.04526	0.5
88.01235	0.2
89.02444	41.3
89.96227	0.1
90.02793	0.6
91.04007	0.8
93.03474	0.4
95.01390	3.1
95.05038	0.3
97.02948	7.4
99.00879	2.8
99.04526	0.7
100.22300	0.2
101.02444	37.0
102.02775	0.7
103.00411	0.2
103.03987	0.3
107.01419	0.2
107.05031	0.3
109.02966	0.7
111.00895	0.6
111.04524	1.4
113.02454	18.7
114.02771	0.5
115.04004	0.9
119.03500	12.3
120.03834	0.2
121.02994	0.9
123.00861	0.4
123.04529	0.4
124.01661	0.5
125.02448	15.3
126.02763	0.4
127.03986	0.6
127.07662	0.4
129.01917	0.3
131.03520	1.8
133.05077	1.6
134.10477	0.2
137.02461	0.4
139.04013	1.0
141.01941	0.9
142.02696	0.2
143.03503	7.2
144.03856	0.2
149.02470	0.4
149.04572	1.1
151.04010	0.2
155.03606	0.2
157.05087	0.2
159.02985	0.2
161.04562	8.8
163.04106	0.3
167.03505	1.0
169.05061	0.6
171.03004	0.6
179.05602	7.6
180.05962	0.3
185.04535	0.8
195.34186	0.2
197.04536	0.2
199.06145	0.5
203.05598	0.6
205.19624	0.2
217.07129	1.4
219.05103	0.5
221.06635	3.1
230.27470	0.1
233.22838	0.4
235.08220	15.8
236.08522	0.7
245.06689	0.9
253.09276	4.3
259.20587	0.6
263.07703	1.9
275.20135	0.4
277.09573	1.2
277.21710	100.0
278.22067	8.3
278.25189	0.2
287.07742	3.6
288.08173	0.2
288.40097	0.2
291.23322	0.5
304.88913	0.2
305.08807	4.1
306.08987	0.2
323.09772	2.2
324.53268	0.2
343.26865	0.2
361.11462	0.6
379.12415	1.3
397.13489	77.9
398.13843	5.8
398.19189	0.3
415.14554	35.0
416.14963	3.0
463.65854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40173	2.2
52.45461	2.3
55.01884	2.5
57.03460	2.4
58.00580	5.4
59.01380	100.0
61.98827	22.2
69.03448	3.1
71.01382	74.4
71.05017	2.4
72.99311	9.9
73.02946	28.6
81.03456	2.3
83.01390	8.1
85.02951	39.3
86.00095	4.0
87.00870	21.1
87.04517	8.4
89.02448	36.1
91.05536	2.9
95.01373	6.4
99.00864	3.8
99.04472	2.9
100.93580	2.1
101.02443	55.7
103.04027	11.5
113.02451	32.7
115.03995	7.2
115.05547	6.2
115.47160	2.1
117.07104	17.1
119.03522	18.8
125.02435	6.7
131.03516	10.6
143.03500	41.4
145.05090	3.8
161.04579	8.1
161.06084	31.8
163.06145	42.2
179.05586	3.2
187.03981	18.6
205.05034	18.7
205.07161	32.2
209.11787	2.6
223.06195	7.5
247.08298	13.1
457.28143	4.2
469.13449	7.5
485.31268	35.0
486.31708	5.4
495.12997	2.5
502.38855	2.4
603.33948	11.8
631.36938	57.8
632.37311	7.7
657.34387	2.7
675.35944	58.9
676.35883	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	676.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
60.46839	0.2
61.98835	0.8
65.99873	0.3
71.55994	0.3
75.00836	0.3
83.65233	0.2
96.96040	0.4
102.03488	0.3
144.04553	100.0
145.04901	4.9
159.03210	1.1
175.02565	0.3
188.03531	49.5
189.03886	2.8
225.56868	0.3
316.05060	0.3
331.69144	0.3
633.76013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99813	0.2
57.03449	0.3
58.00600	0.4
59.01379	8.7
61.98828	1.2
68.03363	0.2
69.94407	0.3
69.94698	0.9
71.01381	12.6
72.99301	1.4
73.02963	0.9
75.00883	0.3
83.01394	0.7
85.02936	1.0
87.00875	27.8
88.01241	0.4
89.02429	0.3
89.38965	0.2
89.79287	0.2
96.96027	0.3
96.99283	0.2
99.00876	0.4
101.02444	0.8
103.66418	0.2
112.98821	0.6
113.02441	1.2
113.87371	0.2
115.00372	41.5
115.05503	0.3
115.92110	0.2
116.00728	0.6
117.07153	0.2
124.98854	0.3
127.00367	0.7
129.02034	0.3
145.02979	0.2
157.01433	0.3
161.06100	0.3
163.03955	0.2
175.02470	100.0
176.02827	2.7
187.03978	0.6
213.05545	0.5
218.28833	0.2
241.04994	0.9
243.01569	0.7
256.07437	1.2
271.09756	1.9
272.10156	0.3
354.78500	0.2
475.16101	0.3
677.18726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36066	0.8
57.03437	1.0
58.18662	0.8
58.62816	0.9
59.01374	10.2
61.98833	7.0
67.47153	0.8
69.28151	3.3
69.28574	4.6
71.01376	14.0
73.02937	3.8
73.43589	0.9
78.95881	0.9
83.01389	4.8
85.02948	9.3
87.00871	3.2
89.02440	2.9
91.05535	22.3
93.03427	0.9
95.01384	2.5
99.00875	3.4
101.02426	7.8
108.02174	14.1
109.02968	13.7
111.00829	1.1
113.02438	6.3
115.00356	4.4
115.05540	23.9
117.03561	0.9
117.07098	19.5
119.03552	1.1
123.00837	1.4
123.59077	1.0
125.02508	1.2
129.01892	1.1
133.06601	12.3
135.04501	2.6
139.00302	1.8
143.03503	0.9
143.04970	1.8
151.04053	1.0
157.01372	3.5
159.03015	1.7
161.04559	13.2
161.06062	49.0
162.06418	2.1
163.04005	30.4
164.49527	0.8
175.02565	4.2
178.51733	0.8
187.04001	100.0
188.04315	5.3
201.05498	1.3
205.03271	1.3
205.05043	13.7
217.03574	8.0
271.08200	13.6
284.03333	1.0
300.97043	1.0
363.07373	4.2
477.14035	11.4
515.28442	1.2
635.15991	3.2
665.82147	0.9
677.17120	13.4
677.33087	2.9
678.17047	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	677.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02193	0.4
59.01375	1.6
61.98827	7.3
65.00329	0.5
65.99909	0.5
69.32635	1.0
69.33046	3.1
70.86671	0.4
78.95911	2.2
79.95752	1.4
83.01411	1.2
85.02950	0.4
90.23802	0.4
93.03410	0.6
95.59823	0.4
96.96015	39.1
96.96912	2.8
101.02440	0.7
107.01378	1.2
111.00912	0.4
112.70603	0.5
112.98680	0.6
124.99736	0.4
132.02208	1.5
135.00896	1.2
151.00420	2.3
159.04544	0.6
163.00354	0.8
178.99887	1.1
180.41661	0.4
183.04533	1.4
185.02489	0.7
187.03976	1.7
199.03993	0.6
200.04820	0.5
211.03954	2.1
227.03493	43.9
228.03886	3.3
229.05086	1.2
239.03461	0.5
241.04916	0.5
247.38342	0.4
255.02986	79.1
256.03482	8.2
257.04507	1.4
283.02484	1.4
284.03253	100.0
285.03839	14.1
286.04282	0.5
309.04227	0.4
350.82620	0.5
513.14081	1.1
677.20862	62.6
678.21100	10.9
678.33002	0.8
678.38025	0.6
678.47711	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	69.2
61.98835	100.0
62.20706	9.6
65.47362	9.0
69.01833	10.7
70.15687	9.2
70.71886	20.4
70.72252	22.0
71.01357	14.2
78.95901	33.5
101.02421	10.4
111.00780	12.4
115.00349	24.4
121.88451	9.9
122.97086	10.6
137.95943	9.6
139.00293	13.2
152.99571	35.1
157.01437	23.2
170.09554	11.1
174.01709	37.0
175.02461	80.2
211.13358	76.5
247.71121	10.3
501.26608	24.4
543.86310	10.2
623.34271	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	677.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	54.1
61.98826	81.0
62.70501	11.9
69.41739	14.3
70.60179	31.1
70.60514	17.9
71.01376	18.9
81.22879	13.4
85.47439	11.8
90.02473	13.2
106.49541	12.3
149.82654	11.5
211.13361	100.0
212.08273	15.9
234.62733	13.4
242.88048	13.4
300.95453	12.9
599.99524	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	677.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
57.03445	1.0
58.00597	2.0
59.01380	43.1
60.01710	0.5
61.98845	0.2
67.01891	0.3
68.99816	0.7
69.03464	2.1
70.56433	0.5
71.01383	35.3
71.35715	0.2
72.01722	0.5
72.23944	0.2
72.99310	2.7
73.02946	6.6
75.00874	0.8
81.03461	1.6
83.01389	4.5
83.05040	0.3
85.02950	8.2
86.00084	0.2
87.00875	9.2
87.04513	0.5
89.02446	32.2
90.02766	0.2
91.04001	0.7
93.03452	0.5
95.01386	2.6
95.05045	0.3
97.02950	5.6
99.00870	2.1
99.04530	0.6
101.02444	29.5
102.02772	0.4
103.00327	0.3
103.04021	0.3
108.02200	0.2
109.02923	0.5
111.00891	0.4
111.04550	1.1
112.01712	0.3
113.02451	14.5
114.02801	0.2
115.03996	0.6
118.23580	0.2
119.03505	10.4
120.03821	0.3
121.02946	0.7
123.00921	0.3
123.04520	0.3
124.01669	0.5
125.02450	12.5
126.02812	0.4
127.03992	0.5
129.01930	0.3
131.03481	1.6
133.05049	1.0
139.04039	1.1
141.01953	0.6
143.03499	6.0
144.03778	0.2
149.04587	1.2
151.04050	0.2
161.04550	7.0
162.04907	0.3
167.03488	0.8
169.05048	0.3
171.02982	0.4
179.05608	6.2
180.05916	0.3
181.05125	0.3
185.04547	0.6
186.60980	0.2
197.04700	0.2
199.06201	0.5
203.05608	0.6
217.07152	1.3
219.05060	0.6
221.06639	2.2
229.24033	0.2
235.08217	13.9
236.08525	0.6
245.06590	0.9
253.09245	3.8
259.08340	0.3
261.22180	0.4
263.07730	1.7
277.09293	1.2
279.23273	100.0
280.23624	10.6
287.07724	2.7
288.08139	0.3
293.24857	0.4
305.08765	3.4
306.09171	0.3
323.09799	1.7
361.11288	0.7
379.12509	1.1
397.13483	70.7
398.13821	6.6
415.14557	31.1
416.14801	2.7
583.29266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02962	0.3
59.01381	1.0
61.98829	1.2
71.01380	0.6
72.92948	0.2
73.02942	0.7
78.95886	0.2
80.05056	0.3
81.03458	7.7
82.03791	0.2
83.01385	0.3
83.05025	18.4
84.05341	0.3
85.02956	0.5
87.53741	0.2
87.81135	0.2
89.02442	0.5
96.96020	0.9
100.07710	0.2
101.02440	0.5
107.06163	0.4
108.04557	0.7
113.02440	0.3
121.02988	0.2
123.00870	0.2
125.07195	1.5
126.05572	0.4
139.03946	0.2
143.08247	0.5
151.76180	0.2
161.04587	0.3
175.02464	0.2
177.21443	0.2
192.01733	0.2
199.18108	0.3
207.14995	1.2
224.17676	2.7
225.16071	13.2
226.16449	0.9
242.18794	1.0
250.15633	0.3
268.16605	0.2
281.04501	0.4
282.05316	1.4
283.05753	0.4
291.20905	0.2
308.23602	0.2
309.21741	0.6
324.26535	0.6
333.22955	1.1
339.27588	0.2
341.29227	1.1
351.23911	0.4
367.26959	1.3
433.31763	1.3
434.32047	0.2
441.24228	0.2
450.34540	1.5
451.32858	5.6
452.33197	0.6
520.28302	0.2
550.43402	0.7
557.13135	0.7
559.39642	0.3
565.44446	0.4
587.13940	0.3
587.30621	0.5
593.44031	0.6
659.48358	1.2
660.49310	0.3
677.49664	100.0
678.50006	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
57.03449	1.4
59.01378	52.1
61.98828	100.0
69.03455	0.8
70.41359	1.9
71.01379	22.7
72.99345	0.9
73.02946	9.3
75.00890	0.8
82.99832	0.7
83.01392	3.3
85.02952	13.2
87.00891	1.6
89.02451	3.9
95.01390	1.8
97.02950	1.3
99.00880	3.2
101.02439	15.3
102.02782	0.7
103.04031	1.2
111.00927	0.7
113.02452	9.0
115.05530	1.5
119.03479	1.1
122.04527	0.5
125.02453	2.6
138.48920	0.5
138.89159	0.6
143.03513	2.1
158.92952	0.6
159.02991	1.1
161.04581	6.7
161.05980	0.9
187.04057	2.5
221.83548	0.7
286.87570	0.7
317.21255	1.2
328.29501	0.6
383.24435	5.7
385.19095	0.7
424.31561	0.7
425.25415	1.5
489.34573	1.8
490.34738	2.3
493.27957	0.7
511.29279	0.8
513.97968	0.6
529.30151	45.3
530.30658	5.2
571.31219	34.5
572.31555	5.5
617.39307	1.4
618.39343	3.3
635.40466	2.4
636.40405	4.2
637.94379	0.7
657.54358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43829	0.9
59.01373	4.2
61.98816	3.5
69.19106	10.5
98.19926	1.8
127.47793	1.0
127.80631	1.0
132.02165	1.3
133.02945	4.5
134.03766	2.2
135.00903	1.3
135.04532	9.5
144.28447	1.0
151.00359	4.1
161.02451	19.2
168.99335	1.2
175.04030	2.5
178.99852	1.4
179.03479	8.1
183.04544	1.1
203.03430	1.1
211.03970	3.2
227.03503	40.0
228.03886	2.8
255.02980	73.4
256.03558	7.0
267.67310	1.2
283.02414	1.6
284.03262	100.0
285.03821	13.9
337.09241	2.0
341.08771	3.5
455.43564	1.3
471.09372	1.2
473.14600	3.0
499.12494	2.0
517.13409	3.8
635.16174	69.2
636.16498	11.2
679.19073	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	679.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.9
59.01386	5.5
60.99272	1.0
61.98829	6.3
69.83942	4.3
69.84367	1.5
71.01392	5.2
85.02946	2.7
87.00874	1.4
89.02445	3.0
93.03482	1.9
95.01396	1.0
96.96020	3.7
101.02448	3.6
113.02447	2.9
117.03490	1.6
119.03496	1.4
121.02956	1.4
125.02433	1.1
132.02184	2.8
133.02969	21.1
134.03748	23.4
135.04539	24.3
137.02454	4.4
149.06096	8.2
150.03238	2.9
160.01662	13.5
161.02444	71.3
162.02774	3.6
165.05597	1.8
167.03571	1.1
175.03978	13.2
177.01929	1.1
177.05632	5.6
178.02711	16.4
179.03494	22.3
193.05049	30.1
194.05472	1.4
203.03555	2.2
221.04514	5.8
235.06010	1.0
247.07867	1.3
247.30193	0.9
263.05786	1.8
323.07727	47.8
324.08112	2.8
485.11920	1.0
499.12415	3.1
517.13519	100.0
518.13770	12.6
679.18811	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	679.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
61.98830	6.2
71.01387	2.3
72.65329	0.3
73.02997	0.3
74.21748	0.3
83.01372	0.4
85.02953	0.9
89.01984	0.2
89.02464	1.9
93.03453	0.4
98.20613	0.6
101.02457	0.9
107.05030	0.4
113.02483	0.7
117.03416	0.5
119.03534	0.6
124.09486	0.4
132.02162	1.7
133.02954	22.6
134.03821	2.3
135.04524	50.7
136.04840	1.9
137.02444	0.3
149.06073	1.2
151.87344	0.3
160.01625	2.1
161.02440	87.5
162.02785	4.2
163.06190	0.3
165.01965	0.4
175.02596	0.4
175.03970	1.7
176.04568	0.4
177.05536	2.2
179.03494	100.0
180.03824	3.8
193.05008	0.8
203.03484	2.1
221.04546	1.9
251.05637	0.5
274.17697	0.3
281.06635	0.9
293.79907	0.4
337.09409	1.4
341.08749	27.7
342.09076	2.2
517.13470	14.8
518.13916	2.2
553.31476	0.3
679.18378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
57.03441	2.1
58.00579	3.2
59.01379	100.0
60.01720	1.4
61.98817	1.7
69.03446	3.0
69.28367	9.2
71.01382	68.6
72.01723	1.4
72.99301	4.0
73.02944	12.1
78.06868	0.9
83.01384	14.8
85.02943	18.6
87.00874	9.6
89.02444	65.8
90.02806	1.3
95.01386	7.2
97.02966	2.6
99.00882	3.5
101.02439	48.6
102.02747	1.3
103.00365	4.2
103.04013	2.1
111.00877	1.7
112.01607	1.0
113.02449	35.6
115.04021	1.4
119.03496	20.1
119.04916	1.1
125.02459	5.6
127.00350	2.2
131.03499	5.3
138.02640	1.0
141.01869	1.2
142.29874	0.9
143.03490	10.5
145.02925	3.3
145.05000	1.0
149.04523	2.6
159.03004	1.5
161.04535	17.8
163.06143	9.3
169.52174	1.0
176.54176	0.8
179.05609	18.4
191.05673	2.2
199.02428	1.8
203.05606	2.1
205.07156	4.2
228.90610	1.0
229.03546	2.4
245.06563	1.1
247.04630	2.5
247.08177	3.0
269.10300	7.9
271.04657	2.2
304.12610	1.1
305.08780	3.6
323.09814	7.6
332.94598	1.0
337.09296	24.1
338.09619	1.9
341.10861	66.7
342.11194	2.8
365.10822	1.4
379.08960	1.2
383.11862	1.3
409.09857	64.3
410.10013	5.2
444.66638	0.9
499.25748	2.5
578.56512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71697	0.8
57.03425	2.1
58.00582	1.8
59.01376	38.6
61.98827	11.9
66.89954	0.9
69.72221	0.9
71.01377	26.3
71.56300	1.2
71.56688	1.3
72.99312	2.1
73.02922	2.0
79.63367	0.9
83.01368	2.5
85.02944	8.8
87.00882	2.1
89.02441	23.9
93.03453	1.2
95.01381	3.3
96.95995	1.9
98.95603	1.3
101.02434	14.3
108.02161	1.8
109.02980	1.0
113.02442	9.2
113.58078	0.9
116.92844	3.0
117.03448	2.8
119.03507	7.8
119.04987	1.8
121.02942	1.4
123.00885	1.5
123.04533	2.1
132.02161	16.4
133.02907	2.6
134.03741	30.2
135.04506	2.1
137.02390	1.9
143.03479	1.8
145.02887	6.0
147.04474	0.9
149.02400	1.2
149.06064	6.8
160.01651	86.3
161.02058	4.9
161.04507	2.2
162.03207	1.6
163.04002	1.9
164.04698	1.1
165.05457	1.2
175.03986	100.0
176.04288	4.8
177.05573	1.7
178.02640	1.2
179.03497	2.3
179.05577	5.5
179.07057	1.8
187.03984	1.3
191.07079	1.4
193.05051	25.4
205.04968	1.3
217.05090	1.9
255.03070	1.6
284.03268	1.4
285.03876	1.2
287.09171	1.5
304.07050	2.2
323.07858	1.0
337.09262	99.0
338.09622	7.1
373.12778	1.5
383.13455	0.9
417.11923	4.4
417.51123	1.0
499.11880	1.4
517.16895	2.8
559.14746	1.2
635.15875	1.3
670.88751	1.0
679.22363	86.3
680.22668	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	679.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63028	0.5
55.01871	0.6
58.00593	1.4
59.01381	24.5
61.98831	9.2
68.99801	1.0
71.01387	6.8
72.99316	1.5
73.02947	4.5
85.02946	4.5
89.02446	5.2
97.02969	0.9
98.20658	2.4
99.00888	2.4
101.02448	6.4
103.04017	5.2
113.02446	0.9
119.03514	2.5
145.17451	0.7
159.00185	0.7
161.06100	1.0
163.06131	2.0
175.52652	0.5
187.04028	1.9
212.04781	0.6
213.03572	1.3
213.05571	16.9
214.05972	0.9
227.07217	1.5
240.04227	1.3
241.05067	48.6
242.05423	2.3
245.12968	0.6
254.05746	0.9
255.06645	12.7
256.07401	96.9
257.07797	4.9
270.08932	4.2
271.09747	79.1
272.10092	6.2
313.10770	1.7
415.13998	3.3
433.09332	0.5
433.14984	12.0
434.15475	1.9
561.19421	1.3
579.20807	100.0
580.21210	13.8
679.38660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.9
56.87372	0.6
57.03453	2.2
58.00591	4.8
59.01379	100.0
59.89527	0.7
60.01719	1.4
61.98836	1.0
69.03470	1.5
69.48870	2.6
69.49297	2.0
69.93050	0.7
71.01383	54.6
72.99308	6.0
73.02945	16.9
75.00888	0.9
82.18769	0.7
83.01380	5.8
85.02949	21.0
86.00106	2.2
87.00875	15.5
87.04507	4.4
89.02446	58.2
90.02790	0.9
93.09186	0.7
95.01376	3.8
99.00877	1.7
99.04524	1.0
101.02444	51.6
103.04012	19.4
113.02447	18.9
115.04025	6.9
119.03503	30.9
125.02445	2.2
127.04042	2.0
131.03502	10.5
143.03496	16.9
145.02998	1.5
145.05081	5.8
149.04601	0.9
149.06036	0.7
161.04561	4.9
163.06125	82.3
164.06479	1.9
179.05623	9.5
179.07051	1.2
205.07167	28.4
206.08134	2.0
247.08215	32.1
248.08629	1.9
257.37378	0.7
304.83057	0.7
307.10535	2.1
325.11438	1.3
329.51669	0.7
335.58807	0.7
339.08057	0.7
427.73373	0.7
499.25549	10.8
500.25781	0.9
646.82098	0.8
653.86395	0.7
679.16260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31585	0.6
53.72631	0.5
55.01878	2.3
57.03441	2.0
58.00597	5.0
59.01381	100.0
60.01727	1.1
61.98836	1.6
69.03463	1.1
69.20667	5.0
71.01385	52.5
72.99307	5.6
73.02949	18.7
75.00874	0.9
83.01380	4.3
85.02955	19.0
86.00111	2.2
87.00884	13.1
87.01428	0.7
87.04522	3.9
89.02450	54.5
90.02776	0.7
95.01398	2.9
97.02946	0.8
99.00905	1.8
99.04513	1.0
101.02448	47.2
103.04018	18.2
104.04362	0.8
108.02187	0.6
113.02457	17.8
115.04027	6.0
119.03507	30.5
125.02477	1.5
127.04047	1.8
131.03510	10.4
131.04459	0.7
143.03519	14.4
145.02975	0.9
145.05078	6.7
149.04572	1.3
161.04593	5.5
163.06129	69.7
164.06490	1.5
179.05605	8.1
183.59962	0.5
205.07176	24.9
206.07961	0.8
209.44128	0.6
247.08228	30.9
248.08575	1.5
277.15701	0.8
307.10324	2.1
325.11435	1.2
337.09091	2.5
341.10947	3.0
409.10068	2.3
414.97186	0.6
499.25494	9.5
500.25845	1.1
596.85303	0.6
617.87195	0.6
619.24292	0.7
679.19421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
57.03443	1.9
59.01377	23.4
61.98532	3.0
61.98829	47.4
63.02399	2.2
69.36031	1.4
69.36248	4.3
69.36657	9.4
71.01382	27.1
72.99322	2.4
73.02938	6.1
75.00873	1.6
83.01376	7.2
85.02944	8.6
87.00879	26.3
88.98795	1.6
89.02427	7.7
91.01894	12.4
99.00890	2.1
101.02424	11.0
111.00854	3.1
113.02436	6.3
115.00378	42.2
115.05550	2.9
116.92857	2.2
119.05183	1.7
121.02994	1.5
128.90228	1.5
139.00352	2.6
146.08203	4.3
153.36115	1.8
157.01361	3.5
161.04597	3.2
161.05971	3.2
169.06555	6.1
175.02412	4.0
187.04001	3.5
190.86664	1.5
239.07117	25.6
256.07492	2.2
257.08179	8.7
271.09903	2.1
285.03986	5.8
313.23853	2.9
341.26910	6.9
359.28024	23.9
376.70203	1.8
435.39453	1.8
439.17563	7.5
503.32129	4.0
512.26978	1.8
521.33246	43.2
522.33423	6.8
523.31781	1.9
679.35406	100.0
680.35999	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	680.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	12.6
61.98831	100.0
68.67124	0.8
69.90995	0.9
71.01400	6.2
73.02940	3.0
85.02954	2.6
89.02446	2.5
91.05520	6.2
92.03151	0.8
97.40781	0.8
101.02418	3.9
102.02822	1.1
108.37624	0.8
113.02452	2.4
115.05553	6.8
117.07108	40.3
118.07389	2.0
119.03496	1.2
123.04520	2.9
125.02418	1.7
133.06593	3.8
135.04544	1.0
143.03481	1.3
161.06081	72.5
162.06395	4.1
167.03496	1.5
187.04007	9.7
188.04300	1.0
205.05048	61.1
206.05403	3.9
259.60742	0.9
311.07758	1.7
413.21738	2.5
414.22003	1.7
443.61716	0.9
456.23434	1.3
473.14484	1.9
481.20975	1.0
481.27963	2.5
482.21262	1.6
482.28232	2.1
511.14548	36.2
512.14655	5.9
579.19067	1.3
643.26001	0.9
644.26141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71984	0.8
59.01389	5.2
61.98832	100.0
71.44405	1.1
71.44732	1.1
91.05527	4.0
115.05540	0.9
117.07108	29.9
118.07423	1.3
134.00548	0.9
140.84808	0.8
161.06081	50.0
162.06418	2.3
187.04050	1.0
202.25539	1.1
205.05051	44.9
206.05417	2.3
302.17682	0.9
334.80917	0.9
511.14554	27.5
512.14948	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	680.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68596	1.2
59.01384	12.2
59.18456	1.4
61.98832	100.0
69.93503	1.2
71.01385	4.1
71.56178	2.3
73.02936	1.7
91.05536	3.3
96.90728	1.3
101.02420	1.8
102.93768	1.2
113.02484	1.9
116.92641	1.4
117.07112	25.3
118.07391	1.8
133.06627	1.9
138.32550	1.6
161.06084	41.1
162.06372	2.5
187.04024	1.9
205.05058	34.0
206.05396	1.8
416.93103	1.4
511.14627	28.9
512.14984	3.2
681.39569	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32376	0.2
57.03436	0.2
59.01385	2.3
61.98832	100.0
62.98547	0.2
64.06826	0.2
71.01392	1.4
72.97632	0.2
72.99308	0.4
73.02962	0.4
75.00875	1.3
83.01413	1.0
85.02963	0.5
87.00873	0.3
88.98836	0.5
89.02463	0.8
95.01417	0.4
96.96076	0.2
97.02961	0.2
99.00889	0.2
101.02444	1.0
102.02090	0.2
104.23367	0.2
110.92599	0.2
113.02470	0.9
116.92873	0.9
119.03546	0.5
125.02469	0.5
127.00369	0.5
135.03011	3.8
139.00420	0.3
149.02457	0.2
149.04515	0.3
151.04092	0.2
153.01967	0.2
161.04579	0.5
165.05571	0.2
175.02495	0.2
179.03436	0.3
179.05693	0.3
180.04272	0.3
187.02525	0.3
195.06635	0.5
233.02371	0.2
267.69263	0.2
285.04129	0.3
294.29071	0.2
357.12549	0.2
366.00211	0.2
446.22025	0.3
451.09283	0.2
479.19202	2.1
480.19427	0.2
509.20532	0.4
519.24554	0.3
522.01672	0.2
560.15149	0.5
565.81702	0.2
680.25153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33728	0.2
54.30838	0.2
59.01382	0.4
61.67591	0.2
61.98831	100.0
62.98546	0.2
64.41402	0.2
69.68784	0.1
71.01392	0.4
71.55380	0.3
72.99319	0.2
85.02957	0.2
85.33685	0.2
89.34267	0.2
113.02455	0.3
115.05530	0.4
116.85817	0.2
117.07134	0.3
133.06577	0.3
156.69894	0.2
161.06047	0.6
175.02541	0.2
187.04068	0.6
226.12025	0.2
241.05139	0.2
256.07385	0.5
271.09644	0.3
272.10217	0.3
348.45868	0.2
455.26794	0.4
472.98779	0.2
501.21289	0.2
505.67200	0.2
580.21014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90756	0.1
53.88424	0.1
59.01377	0.5
61.98832	100.0
66.93334	0.1
68.91210	0.1
70.30827	0.3
70.31221	0.3
71.01402	0.3
74.37176	0.1
92.65186	0.1
101.02448	0.2
106.65180	0.2
113.77352	0.1
115.05532	0.9
117.07095	0.9
123.04520	0.4
133.06618	0.6
161.06070	1.9
162.06429	0.2
163.03984	0.2
167.03552	0.1
187.03998	1.3
205.05083	0.4
257.84381	0.1
311.08176	0.4
393.18542	0.1
435.13141	0.4
473.14850	0.2
605.65082	0.1
606.07306	0.1
623.18372	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46362	0.9
59.01376	11.6
60.59486	0.9
61.98829	55.7
66.07205	0.9
67.22201	0.8
67.68435	0.9
71.01380	10.2
71.56030	1.6
72.99315	0.9
73.02956	1.3
75.00867	1.3
77.32175	1.0
83.01378	3.5
85.02940	3.3
86.00076	0.9
87.00880	4.9
89.02423	4.7
95.01379	8.0
96.96008	2.0
96.96926	1.1
97.02972	1.6
99.00859	2.8
101.02446	5.9
111.00861	2.9
112.98833	4.6
113.02459	7.5
115.00369	7.5
116.92844	3.2
119.03503	2.2
119.05040	1.8
119.85788	1.3
123.04509	1.1
125.02454	2.8
127.00359	3.3
139.00395	7.7
145.03101	1.2
151.00407	2.6
151.03914	1.3
157.01384	1.7
161.04558	2.2
161.06036	1.1
163.04013	2.3
167.03416	1.1
167.92290	1.0
169.01357	1.1
173.00908	2.6
174.01682	11.2
175.01024	1.5
175.02473	17.1
179.05611	2.9
187.04019	1.3
213.05502	10.2
226.06416	2.3
241.05046	33.5
241.08847	2.4
242.05418	2.5
255.06694	1.3
256.07407	85.1
257.07715	5.6
271.09753	100.0
272.10144	5.5
284.03326	1.2
341.10828	4.2
357.26483	7.5
415.13919	1.3
433.15018	33.0
434.15402	2.5
475.16064	10.0
519.31836	2.1
521.76923	1.1
543.14996	21.0
544.15106	2.8
573.16138	6.6
621.34753	2.4
645.34589	2.6
681.24811	1.9
681.37280	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	681.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05625	0.5
57.03463	0.4
57.90269	0.5
59.01392	5.1
60.78211	0.5
61.98826	7.9
71.01373	4.9
71.56522	0.5
72.99294	0.7
73.02943	0.8
83.01406	0.8
85.02947	1.9
87.00900	1.1
88.98830	1.1
89.02449	1.5
93.03479	0.5
94.88258	0.4
99.00903	0.6
101.02457	3.1
108.02179	0.6
113.01789	0.4
113.02417	2.2
116.92847	2.0
117.03457	0.6
117.92918	0.5
119.03500	1.0
123.00880	0.5
123.04568	0.5
125.02473	0.7
134.03732	0.4
137.02441	0.5
139.29457	0.4
145.02930	2.0
151.04019	0.5
152.00990	0.4
161.04547	0.7
163.03981	1.0
175.02478	1.2
188.04720	0.5
213.05536	14.1
214.05927	0.6
222.88638	0.5
241.05060	39.5
242.05357	2.7
255.02866	0.5
255.06647	1.3
256.07401	80.8
257.07776	7.0
271.09741	100.0
272.10110	7.6
307.08243	1.5
313.10818	0.9
373.12888	1.8
433.15027	14.7
434.15335	1.9
475.16068	20.8
476.16428	2.0
519.31659	0.8
534.71790	0.5
607.75757	0.5
681.36951	8.1
682.38129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65532	0.6
54.36642	0.6
59.01377	5.4
61.98834	4.4
64.92142	0.6
65.32278	0.6
71.35439	1.0
78.95904	1.8
83.72867	0.6
93.03457	2.6
93.14587	0.6
117.03453	1.2
119.05029	100.0
120.05368	3.4
121.02927	0.7
121.06622	1.6
152.99554	2.0
163.04012	93.0
164.04324	3.2
165.05571	21.9
215.32896	0.7
277.21661	1.0
280.87558	0.7
346.81833	0.7
350.89685	0.7
362.09720	0.7
365.27084	0.8
441.13028	1.2
456.15811	2.2
471.18042	5.7
472.18423	1.0
515.16718	0.9
681.32892	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	681.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.1
57.03431	2.3
58.00600	0.8
58.14617	0.5
59.01105	1.1
59.01382	16.8
61.98532	0.7
61.98830	10.1
64.69038	0.6
67.58929	0.6
69.26706	0.5
69.39999	0.6
69.46668	0.6
71.00996	1.1
71.01384	18.0
72.99303	1.3
73.02949	7.0
75.00857	0.9
75.28882	0.6
80.61911	0.5
83.01394	5.6
85.02952	10.0
86.00092	0.9
87.00871	1.9
88.98801	0.6
89.02448	3.7
95.01390	2.4
97.02937	1.1
98.19926	1.3
99.00887	2.8
101.02444	16.7
111.00897	2.8
111.80064	0.5
113.02456	6.9
115.00401	1.1
115.05546	4.4
115.84393	0.7
116.92843	2.2
119.03495	1.6
125.02458	0.8
129.01933	0.7
133.02948	0.6
135.04510	1.2
143.05054	1.3
145.99042	0.5
159.02910	0.8
161.02417	1.6
161.04550	1.8
172.30042	0.6
175.02451	1.7
181.41476	0.6
185.11786	0.9
187.04001	5.9
194.50337	0.5
219.06548	1.7
229.20499	0.6
313.27576	1.3
339.25430	2.3
357.26340	2.4
415.22934	1.2
446.72592	0.6
475.32715	0.9
501.30637	1.9
519.31940	3.5
520.32104	0.7
545.03320	0.6
681.36987	100.0
682.37415	14.6
682.48187	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49153	1.6
55.01857	3.1
57.03434	2.2
58.00594	1.8
59.01380	30.2
61.98830	80.9
69.03427	1.2
71.01382	30.9
72.99299	4.6
73.02943	10.4
75.00862	10.5
77.85916	1.3
83.01376	7.0
83.07386	1.3
85.02957	16.2
86.17641	1.3
87.00863	4.1
88.98793	7.9
89.02458	12.3
93.03484	1.5
95.01395	2.4
96.96007	5.2
99.00873	4.9
101.02445	20.0
105.01933	2.2
111.00868	3.4
113.02457	13.8
114.38148	1.2
116.92838	2.8
117.03475	2.6
119.03475	4.5
121.02997	2.1
123.04506	2.9
125.02448	3.2
133.02963	9.4
135.04573	7.6
143.03513	2.1
145.02994	2.2
150.17290	1.3
151.04007	3.4
161.02448	21.1
161.04565	4.4
164.04776	1.9
165.05455	1.6
175.02431	4.2
175.03906	2.9
179.03484	3.8
179.05617	3.1
187.03889	1.9
193.04996	1.6
193.19537	1.4
223.13387	3.1
227.03336	1.5
241.05101	1.9
255.06339	1.5
256.07431	3.0
257.08105	2.1
271.09683	3.3
285.04156	6.7
286.04385	1.7
323.07727	5.6
327.25467	2.8
339.25156	3.2
343.11798	1.8
357.26382	6.4
501.30582	6.2
519.31689	46.9
520.32001	5.8
637.17841	2.2
645.35242	11.8
681.22076	15.8
681.36823	100.0
682.22516	3.5
682.37024	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	683.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	16.5
61.98824	1.0
63.14673	0.3
69.39118	1.3
69.39547	1.8
79.74825	0.3
88.98808	100.0
89.99159	0.7
124.10116	0.3
131.24762	0.4
168.11510	0.4
227.03491	1.6
255.03049	3.6
284.03201	6.4
285.03796	0.7
380.71417	0.4
593.15076	8.4
593.24524	0.5
594.15649	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	683.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27218	0.6
56.16390	0.7
59.01379	6.2
61.98831	20.1
69.37698	6.6
71.01382	4.7
71.50734	0.8
73.02935	1.7
75.00893	0.9
80.41294	0.7
83.01408	1.1
85.02956	2.1
87.00894	0.8
88.98815	3.1
89.02452	2.3
95.01371	0.9
97.02901	0.9
99.00903	1.2
101.02444	2.5
108.02161	0.8
113.02465	2.5
116.92867	3.5
117.02637	1.5
117.03471	28.8
119.05022	15.0
121.02958	2.6
122.03708	1.5
123.00875	1.1
123.04531	1.0
124.01714	2.9
125.02411	6.5
135.04506	0.8
136.01700	0.9
145.02954	100.0
146.03761	13.6
147.04446	2.1
149.02434	4.5
149.99591	2.9
150.03235	14.6
151.03981	1.5
161.04799	0.8
161.06059	4.4
162.03207	0.9
163.04008	12.5
164.04799	10.0
165.05577	15.3
166.65703	0.8
168.00615	5.8
175.02463	1.2
179.05656	1.3
179.07108	13.2
180.04280	1.5
180.07469	0.7
195.06602	5.2
205.05234	0.7
284.03149	0.9
307.08221	66.8
308.08557	3.8
313.05725	1.0
327.12430	3.1
331.06723	12.6
332.07050	1.5
399.05524	4.4
503.15576	20.5
504.15973	2.7
521.33582	0.8
683.23364	17.5
683.38452	4.4
684.24176	4.1
709.26300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
61.98838	8.0
69.60890	3.8
71.01385	4.1
73.02940	1.2
75.00867	0.9
83.01334	0.8
83.16882	0.7
85.02968	1.4
88.98793	2.4
89.02449	1.7
91.83920	0.6
93.03468	1.3
95.01429	0.6
99.00887	0.7
101.02450	2.5
108.02186	0.8
109.02940	1.7
113.02387	1.5
116.92884	1.1
117.03464	25.1
118.03748	0.9
118.87165	0.7
119.05019	13.7
121.02943	3.0
122.03709	0.9
123.04556	0.7
125.02366	0.8
127.58576	0.6
133.06639	0.7
135.04533	1.5
136.01596	0.8
145.02951	100.0
146.03772	14.1
147.04475	1.5
149.02426	8.8
150.03227	8.8
151.04015	1.3
159.04532	1.0
161.04630	1.6
161.06075	6.4
163.04005	12.6
164.04785	11.1
165.05573	12.0
177.05568	0.9
179.05551	0.7
179.07137	11.6
187.04002	1.8
195.06647	3.3
205.05099	0.7
210.83228	0.6
225.05533	1.5
236.25482	0.6
241.05055	1.1
247.06058	1.1
257.08127	7.7
307.08206	63.9
308.08536	3.6
312.10168	2.9
327.12381	7.1
419.13373	3.1
467.73416	0.8
503.15536	27.7
504.16165	4.1
521.20233	0.6
683.23499	16.0
683.37366	1.3
683.39233	1.3
684.23688	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	683.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81752	1.5
56.59506	1.6
58.63099	1.5
59.01378	3.9
61.98827	16.6
71.55117	2.7
88.98828	1.8
117.03485	17.1
117.07097	4.4
119.05028	32.2
121.02956	4.0
129.05589	2.1
132.02187	1.7
133.02940	6.6
134.03746	36.0
135.04547	16.8
137.02454	4.8
145.02963	24.5
147.04573	2.1
149.06053	3.3
160.01668	12.7
161.02449	12.7
161.04718	1.5
161.06004	7.9
163.04007	22.8
165.05585	2.5
175.03993	11.5
176.04318	1.7
177.05559	4.0
178.02716	2.7
179.03462	11.0
193.05049	12.7
205.05049	6.3
255.23254	2.4
277.21637	2.1
279.23123	2.0
297.38840	1.7
353.13904	2.6
370.30994	1.6
383.14862	1.7
401.50751	1.7
505.18698	1.8
519.19855	2.3
683.24902	100.0
684.25494	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	683.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72245	0.6
59.01381	10.8
61.98834	10.6
69.96430	2.8
69.96800	1.2
72.16048	0.6
76.89643	0.6
83.78664	0.6
90.87126	0.6
93.03460	5.2
119.05033	2.7
121.06600	6.9
144.52135	0.6
145.02968	0.6
146.98582	0.5
163.03961	1.0
165.05573	100.0
166.05878	3.7
175.03963	1.0
179.07191	1.0
227.55141	0.6
321.07681	0.8
337.10922	1.1
351.12415	2.1
355.61319	0.6
387.63651	0.6
427.78302	0.6
429.36685	0.6
444.43060	0.6
457.85898	0.7
517.18762	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	683.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61938	0.8
58.00589	3.8
59.01381	100.0
60.01731	0.9
60.99305	1.5
61.98833	13.2
63.82568	1.0
70.55794	1.7
70.56165	2.0
71.01383	48.4
72.99303	3.5
73.02935	1.6
75.00849	0.9
82.32481	0.9
83.01388	1.4
85.02944	7.5
87.00868	4.0
88.62804	1.0
88.98804	4.3
89.02446	71.8
90.02789	1.1
95.01374	2.8
101.02446	24.4
108.02184	1.6
113.02452	23.2
117.50910	0.7
119.03511	26.9
125.02409	1.1
125.07972	0.9
131.03484	3.6
143.03484	4.6
149.04546	2.8
152.01173	1.6
153.01906	1.6
161.04582	6.1
177.01775	0.9
179.05592	15.7
187.03920	0.8
270.01797	0.8
285.04080	1.5
311.09158	3.3
315.07352	1.8
327.08713	1.3
339.08798	9.0
342.11075	2.2
354.11108	4.0
357.13403	3.2
360.29318	0.9
369.13416	21.8
370.13797	2.7
383.06091	1.2
593.14490	1.3
605.22577	1.8
623.23865	1.1
706.01971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
57.56665	1.4
59.01381	16.0
61.98830	52.0
65.95409	1.3
69.03436	1.7
70.45721	2.2
71.01382	25.0
72.99300	3.7
73.02940	4.5
75.00870	15.5
80.79311	1.3
83.01378	6.2
85.02948	18.6
87.00860	4.6
89.02438	6.0
91.04032	1.7
95.01391	6.5
99.00868	18.5
100.76763	1.3
101.02477	8.0
103.00353	1.5
111.00867	5.2
113.02454	23.9
115.00424	1.7
115.05546	3.0
119.03481	2.8
119.05020	2.2
139.00375	2.3
153.01851	1.4
157.01349	1.6
161.06062	2.4
187.03970	4.7
227.07094	4.1
227.99573	1.5
249.06088	3.7
267.07199	7.0
271.22760	20.5
272.23230	1.5
296.33582	1.3
415.27103	2.7
433.22531	2.5
433.28052	40.3
434.28290	3.9
665.34528	1.6
683.34863	100.0
684.35132	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	683.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
57.56665	1.4
59.01381	16.0
61.98830	52.0
65.95409	1.3
69.03436	1.7
70.45721	2.2
71.01382	25.0
72.99300	3.7
73.02940	4.5
75.00870	15.5
80.79311	1.3
83.01378	6.2
85.02948	18.6
87.00860	4.6
89.02438	6.0
91.04032	1.7
95.01391	6.5
99.00868	18.5
100.76763	1.3
101.02477	8.0
103.00353	1.5
111.00867	5.2
113.02454	23.9
115.00424	1.7
115.05546	3.0
119.03481	2.8
119.05020	2.2
139.00375	2.3
153.01851	1.4
157.01349	1.6
161.06062	2.4
187.03970	4.7
227.07094	4.1
227.99573	1.5
249.06088	3.7
267.07199	7.0
271.22760	20.5
272.23230	1.5
296.33582	1.3
415.27103	2.7
433.22531	2.5
433.28052	40.3
434.28290	3.9
665.34528	1.6
683.34863	100.0
684.35132	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	683.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23133	1.7
52.41783	1.4
53.61740	1.5
57.03439	2.4
59.01380	41.8
60.33539	1.4
61.98834	10.4
71.01374	12.3
72.56061	1.7
73.02949	2.4
83.05011	2.1
85.02971	3.1
87.00874	5.4
88.98774	2.2
89.02428	5.8
98.05148	1.6
101.02469	8.0
107.47211	1.7
111.08189	2.1
113.02473	5.8
114.12348	1.8
119.05060	1.7
121.02985	2.8
125.02447	1.7
137.09718	1.9
140.40492	1.6
141.95908	1.5
145.05060	2.0
161.04527	2.5
165.05559	3.5
179.05646	3.0
203.14273	2.8
209.26436	1.6
231.17633	2.1
235.08232	7.3
265.18045	1.9
275.16638	2.3
279.23242	2.7
293.33377	1.6
325.25336	4.9
342.25171	2.2
343.26599	3.0
359.25797	6.5
369.24344	11.0
387.25406	32.4
388.25803	5.7
405.26474	21.8
406.26825	2.6
479.30234	2.2
595.34729	2.6
623.34326	100.0
624.34656	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	683.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23854	1.2
55.99284	1.2
57.03424	1.3
58.96375	1.1
59.01382	47.8
62.43372	1.2
69.96986	5.7
71.01379	13.2
71.05070	1.3
73.02937	2.7
73.17070	1.4
73.86815	1.4
76.95104	1.4
83.01409	2.4
83.05009	1.7
85.02975	3.6
87.00887	4.4
89.02459	7.2
93.03461	1.6
93.04313	1.4
95.01340	1.5
97.42889	1.3
101.02429	9.0
109.06621	1.4
111.08134	1.6
113.02403	6.7
125.02445	1.5
133.05060	1.3
137.09821	1.4
138.01735	1.2
145.05046	2.5
161.04544	2.7
165.05540	1.8
171.10275	4.6
203.14308	1.4
213.14992	1.9
231.17599	2.1
235.08223	8.7
255.23302	2.0
265.18097	1.3
275.16666	2.4
277.21689	2.7
293.20941	1.7
298.84265	1.2
315.26825	3.1
325.25433	4.4
341.24878	3.7
343.26358	4.0
348.44516	1.4
351.23355	3.1
359.25909	5.4
361.27490	1.7
369.24222	10.7
387.25385	35.2
388.25827	4.1
405.26489	23.3
406.26892	2.1
443.34888	1.5
479.29581	1.3
595.35333	2.6
623.34381	100.0
624.34583	17.7
683.41693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86205	0.9
57.03449	4.7
59.01379	6.6
61.98820	1.9
63.84188	0.8
64.25070	0.8
66.36268	0.7
67.17921	0.7
69.03458	1.1
69.56297	6.0
71.01372	4.1
78.95882	1.9
80.96552	0.9
83.05032	0.8
85.02935	1.3
86.49227	0.8
89.02446	5.3
95.05041	1.3
97.06586	15.1
101.02443	2.2
113.02452	2.8
123.08176	8.4
125.09725	100.0
126.10027	4.1
128.61449	1.0
143.10796	1.2
145.68954	0.8
152.99518	1.6
161.04579	0.8
169.08662	2.7
176.28487	1.0
187.09753	70.0
188.10123	2.3
253.09262	3.0
261.13361	1.1
277.21698	17.5
278.22043	1.8
282.25137	1.2
373.45151	0.8
394.50479	0.8
405.17514	6.8
423.18765	20.6
424.19122	1.1
440.99649	0.8
464.08347	1.0
476.32928	1.1
497.76657	0.9
555.28387	1.6
598.31030	2.3
616.66882	0.8
658.18097	0.8
683.40100	97.3
684.40460	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	683.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	5.1
59.01369	3.7
61.98815	2.6
71.01373	4.0
71.56613	1.4
76.88924	1.3
77.24382	1.5
78.95875	1.6
83.72360	1.2
87.00864	2.6
87.52636	1.3
89.02440	2.5
95.05013	1.6
97.06591	15.4
98.53018	1.5
101.02427	3.8
123.08231	7.8
123.08961	1.7
125.09726	85.7
125.56810	1.3
126.10072	2.4
132.17480	1.3
146.43460	1.3
161.04509	2.5
169.08934	1.5
187.09743	32.7
235.08174	3.8
253.09256	3.5
277.18845	2.9
277.21713	43.1
277.24762	2.2
278.21832	3.2
405.17566	7.2
423.18750	6.4
683.40070	100.0
684.40356	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	684.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
60.41713	0.1
61.98832	100.0
62.98540	0.2
70.88319	0.2
71.01379	0.4
73.02959	0.1
85.02971	0.1
86.96230	0.1
87.00896	0.2
89.02444	0.1
99.82291	0.1
101.02483	0.1
113.02469	0.2
113.79739	0.1
115.00362	0.2
115.05555	0.7
117.07143	0.1
119.03617	0.1
123.04563	0.2
161.04800	0.1
161.06049	0.5
175.02463	0.6
187.04037	0.8
213.05586	0.1
237.84972	0.1
241.05087	0.3
246.29039	0.1
256.07437	0.7
271.09805	0.5
272.23022	0.1
317.46906	0.1
347.42563	0.1
350.56522	0.1
381.08499	0.1
473.14874	0.1
539.61450	0.1
621.21832	0.6
684.35175	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98830	100.0
66.91708	0.2
71.01385	1.8
72.99348	0.3
73.02957	0.5
83.01389	0.3
85.02961	0.6
88.98820	0.6
89.02459	0.4
95.01392	0.3
99.00875	0.3
101.02453	0.9
113.02485	0.8
116.92903	0.3
119.03500	0.4
119.05067	0.2
121.02972	0.3
123.04507	2.3
125.02433	0.4
132.49966	0.2
137.02423	0.3
143.03537	0.4
145.03001	0.3
149.02461	0.2
161.02484	0.2
161.04555	0.3
165.05580	0.2
175.02557	0.2
182.53596	0.2
241.05029	0.3
257.08072	0.3
258.07996	0.2
271.09698	0.5
284.03064	0.2
285.04120	0.2
295.31757	0.2
331.17715	0.3
353.08966	0.4
360.14984	0.2
360.28171	0.2
399.16724	0.8
521.33545	0.7
522.33807	1.3
547.24182	0.3
684.38556	0.7
685.40814	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53645	0.1
59.01371	0.4
61.98831	100.0
62.98521	0.2
70.00845	0.1
71.01388	0.2
71.03520	0.2
75.90761	0.1
85.02978	0.2
100.49218	0.1
101.02471	0.2
113.02503	0.1
133.21260	0.1
161.06117	0.2
173.23099	0.1
187.03947	0.3
191.67978	0.1
320.23782	0.1
621.22461	0.2
634.90204	0.1
670.09406	0.1
684.34637	0.6
685.18677	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	685.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54696	0.3
52.93725	0.3
56.86152	0.3
57.70228	0.3
59.01386	1.7
59.96088	0.3
60.99307	16.5
61.98830	5.3
71.01395	1.9
71.56309	0.4
73.02953	0.6
85.02962	0.8
87.00894	1.0
88.00417	1.3
88.98809	100.0
89.02441	8.6
89.99180	0.7
99.70001	0.3
101.02434	0.9
106.53732	0.3
113.02443	0.7
119.03467	0.3
123.04530	2.5
125.02381	0.4
128.64458	0.3
134.03688	0.3
134.85297	0.3
135.23860	0.3
145.02921	0.8
149.57146	0.3
153.68176	0.3
157.27243	0.3
161.04533	0.8
175.02431	0.4
241.04997	0.6
256.07352	1.1
271.09671	2.3
285.09857	0.4
307.44699	0.3
331.17639	0.7
353.08795	0.6
399.16617	1.1
433.14981	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.5
59.01380	9.0
61.98831	9.0
67.49264	0.5
71.01384	5.0
71.56503	0.6
72.99310	8.6
73.02949	1.2
75.00874	4.6
83.01390	1.3
85.02956	1.8
87.00896	0.6
88.04017	0.5
89.02440	3.8
95.01361	1.0
99.00845	0.6
101.02460	3.0
102.08207	0.5
103.00377	2.0
105.01936	100.0
106.02277	1.6
108.02187	1.2
109.02972	1.1
113.02460	2.3
115.08804	0.8
119.03465	0.8
123.04510	2.0
125.02431	0.5
127.05147	1.4
137.07233	0.9
140.07210	0.7
143.03543	0.6
145.29053	0.4
149.02377	0.6
150.03195	0.8
155.08310	0.6
161.04561	1.3
163.04036	1.0
165.05612	1.4
174.79364	0.5
187.03896	0.6
198.08731	0.4
213.05576	1.4
241.05086	3.9
255.06476	0.6
256.07437	9.4
257.07849	1.2
265.13058	2.0
271.09781	7.9
272.10086	0.9
283.14059	1.7
302.04382	0.9
317.06711	1.2
339.07202	1.0
415.14301	0.5
426.10324	0.5
433.15112	1.1
441.27121	0.7
453.27155	0.6
510.29239	3.9
579.20764	11.7
580.21161	2.1
581.21857	1.2
581.33533	0.7
619.22632	0.6
641.35498	1.6
685.27051	1.4
685.38916	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	685.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.9
61.98833	34.3
71.01384	2.8
71.56422	0.7
71.56870	1.1
85.02964	2.2
87.00859	0.8
88.98833	1.4
89.02436	2.1
93.03425	0.9
96.35952	0.7
96.96071	0.7
101.02460	1.9
109.02945	0.9
113.02457	1.6
116.92867	1.5
117.03454	2.2
119.05041	2.0
121.02930	1.1
123.04498	2.1
132.02174	0.9
133.02986	5.1
135.04474	1.5
145.02940	6.5
146.03323	2.5
149.06053	0.8
151.04027	1.0
161.02444	10.9
163.03961	1.0
165.05537	3.4
175.03979	0.8
177.05540	1.1
179.03514	1.4
179.07138	1.1
195.06667	1.1
205.92369	0.8
228.04123	1.9
239.03484	1.1
243.06638	1.6
255.02950	2.1
256.03772	9.4
269.21167	1.0
271.06119	89.9
272.06500	6.2
286.08475	58.9
287.08804	4.7
301.10797	100.0
302.11182	8.0
307.08206	1.7
308.08496	2.0
309.08783	2.0
323.07593	1.9
337.09106	1.1
341.08896	1.0
463.16098	61.7
464.16428	8.4
645.60669	1.1
685.24524	7.9
685.39703	1.8
686.24945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98832	100.0
65.75376	0.5
66.71120	0.7
69.53078	5.0
74.71236	0.6
98.80410	0.7
103.50842	0.6
104.17047	0.7
113.02362	0.8
117.07283	0.6
151.00336	1.4
152.51418	0.7
175.02495	1.1
199.04057	1.5
209.60684	0.7
215.03450	0.7
227.03606	2.4
242.02132	0.9
243.03012	6.9
244.03488	1.4
244.44699	0.7
254.02263	0.7
255.02994	5.9
257.04755	0.9
266.57080	0.6
270.01703	0.8
271.02481	14.0
272.03137	1.3
284.03403	1.5
285.04086	2.6
287.05737	0.7
299.01923	11.7
300.02744	12.6
314.04346	14.6
315.05078	33.1
316.05646	2.7
363.39963	0.7
524.20319	1.1
623.16138	48.0
624.16486	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	686.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68469	0.1
59.01379	0.2
61.98830	100.0
62.98539	0.2
68.22285	0.1
70.72266	0.2
72.24911	0.2
88.98827	0.3
142.06819	0.1
157.82507	0.1
160.13486	0.2
193.03299	0.2
255.23416	0.4
263.11633	0.2
274.32104	0.2
329.97800	0.2
626.34912	0.3
705.99243	0.2
716.85547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97696	0.2
56.09869	0.2
56.60689	0.2
59.01371	0.2
61.98831	100.0
70.30007	0.7
71.03478	0.2
96.74918	0.1
98.20634	0.2
104.03543	0.2
107.10049	0.2
114.99046	0.2
131.90863	0.2
141.09209	0.2
161.58064	0.2
162.07727	0.2
256.23416	0.2
280.23483	0.2
626.36023	0.2
717.19696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18183	0.4
61.98833	100.0
62.28090	0.4
69.15846	0.4
71.01388	0.5
71.55187	0.6
74.47592	0.4
78.95950	0.5
121.65512	0.4
135.17480	0.4
142.22253	0.4
151.10077	0.4
171.06607	0.5
194.17195	0.5
216.48756	0.5
255.23354	1.2
272.39359	0.4
279.23383	1.9
357.44388	0.4
483.54199	0.4
717.78436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.19485	0.6
70.05875	2.1
78.95914	0.8
107.94837	0.6
110.98520	1.0
180.93481	0.6
248.01772	0.7
248.67773	0.8
255.23326	4.8
256.15857	0.7
256.23746	2.0
279.23184	4.7
280.23666	3.5
320.07175	0.7
608.78113	0.8
626.73187	0.7
686.47955	1.1
687.48193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58350	1.3
59.01383	2.4
61.98828	17.1
65.14367	1.2
69.20746	2.4
69.21151	10.9
71.01379	6.4
73.02966	1.6
75.65165	1.2
85.02968	2.0
89.02410	1.5
93.03447	2.6
95.01396	1.8
101.02454	3.5
107.05058	1.6
108.02171	5.7
109.02937	1.5
111.00867	1.8
113.02445	1.8
119.01369	2.6
120.02150	1.8
121.02946	9.0
122.03744	4.0
123.00937	1.5
123.04504	4.0
125.02484	2.7
132.02167	4.6
133.02988	2.5
134.03745	15.8
135.04504	3.8
136.01654	14.8
137.02406	2.2
138.03210	6.2
146.03708	4.1
147.00862	3.0
147.04498	1.6
149.02417	19.1
149.06032	5.0
150.03226	39.0
151.04013	10.9
152.01176	6.0
153.01965	2.4
153.05583	36.3
160.01648	30.0
161.06081	1.5
163.03999	2.5
164.04790	15.9
165.05553	32.4
167.03488	4.0
175.00380	14.2
175.02658	1.5
175.03989	40.0
176.01094	1.9
176.04738	1.4
179.03468	1.6
179.07147	5.4
180.04286	2.5
185.05984	2.4
190.02705	44.9
191.03192	3.8
193.05072	10.9
193.72054	1.3
195.06619	14.9
197.06065	1.7
205.05055	57.1
206.05466	3.8
209.04564	2.0
212.04684	1.5
213.05489	9.8
214.05893	1.2
223.04094	2.9
223.06012	11.6
224.04716	2.6
227.70596	1.4
235.06090	9.5
241.05049	58.8
242.05441	5.2
255.56972	1.3
256.07416	48.1
257.07748	2.8
271.09763	67.1
272.10016	3.5
282.08911	4.2
286.08536	2.2
301.10706	2.0
305.10419	2.1
311.07700	13.2
319.11823	9.6
327.12262	1.8
337.09250	35.3
338.09512	3.7
338.94952	1.2
341.10327	17.5
361.87836	1.5
367.10333	100.0
368.10873	7.9
389.12357	1.8
431.13504	1.7
458.95422	1.3
485.14386	4.3
491.15659	25.4
492.15933	2.8
507.15091	5.1
533.16547	5.2
687.22998	23.6
688.22369	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	687.286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10380	0.4
58.11929	0.4
59.01382	1.5
59.96473	0.5
60.99305	0.7
61.98824	1.4
66.45579	0.5
67.01896	3.5
68.53491	0.4
69.03465	0.9
69.44622	1.2
69.45033	2.4
71.01391	1.8
73.02970	0.6
81.03468	1.0
83.05013	0.5
83.90685	0.4
85.02949	5.3
87.00869	4.5
88.53020	0.5
93.03458	19.9
94.03792	0.7
99.04517	0.5
109.02962	0.8
111.04534	1.8
119.05034	4.7
127.04026	1.1
129.01973	0.5
145.02943	2.1
155.03532	0.6
163.03992	6.0
173.04549	5.4
191.05609	100.0
192.05946	3.6
337.09293	29.3
338.09665	2.3
410.76492	0.5
426.70181	0.6
705.96686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98833	100.0
62.98521	0.3
67.61046	0.1
71.01386	0.8
71.56695	0.3
83.01385	0.3
84.18024	0.1
85.02956	0.4
89.02444	0.3
93.03478	0.2
101.02489	0.3
105.01969	0.3
113.02460	0.3
116.92836	0.2
120.01239	0.2
123.00893	0.2
123.04562	0.6
124.01679	0.3
125.02454	3.4
132.81261	0.2
137.02534	0.3
145.02898	0.2
145.24374	0.2
149.02460	0.3
150.03200	0.2
151.00348	0.2
153.01984	0.6
161.04544	0.4
163.04095	0.2
165.05602	0.3
175.02534	0.2
195.06561	0.2
246.23235	0.2
287.07755	0.6
355.06796	0.6
377.26648	0.2
399.17313	0.2
403.23474	0.3
421.24481	1.9
427.23831	0.2
555.16107	0.2
567.19019	0.5
687.22394	0.6
687.33258	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81663	4.1
59.01371	14.0
60.99308	8.2
61.98829	39.9
64.52942	4.5
69.59930	4.4
71.01390	14.7
71.55921	6.8
88.98817	32.0
89.02453	16.5
92.99895	5.0
99.11369	3.7
101.02415	9.2
101.77139	4.7
113.02458	5.5
125.02504	5.5
221.06819	4.9
232.45370	5.0
235.08122	6.4
253.21770	45.0
255.23354	5.1
396.96808	4.4
397.13538	100.0
398.13998	8.2
415.14584	19.3
533.95856	4.8
644.40460	4.8
651.36420	6.5
687.33557	46.5
688.34497	6.7
712.83075	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	688.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53857	0.6
61.98827	7.0
66.36215	0.6
67.13892	0.6
69.57051	1.6
69.57470	3.7
98.19895	1.4
107.01363	0.8
109.02980	0.9
111.92538	0.6
113.02509	0.7
151.00375	4.8
163.00337	0.7
175.00356	0.8
175.03958	0.7
178.99809	1.3
199.04080	1.0
215.03485	0.9
227.03477	0.7
243.02939	2.9
244.27649	0.6
254.02332	0.7
255.02963	1.6
271.02472	37.3
272.02908	3.8
299.01968	68.9
300.02557	11.8
301.03522	33.2
302.03842	3.1
313.03418	1.1
343.04437	0.9
462.08023	18.3
463.08804	13.8
464.08984	1.8
575.21259	0.7
625.14081	100.0
626.14410	15.2
648.45966	0.6
668.66895	0.8
675.81818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74221	1.1
59.01361	1.5
61.98835	7.2
65.00325	1.7
69.59676	7.4
71.01351	1.5
83.01360	2.0
83.08841	1.1
85.02961	1.3
98.84530	1.1
101.02442	1.2
107.01389	3.4
108.02200	1.6
109.02923	1.9
115.00349	1.0
121.02958	3.1
134.17407	0.9
148.01677	1.2
149.02406	1.5
151.00334	12.8
163.00256	1.3
169.01462	1.3
178.99863	6.8
208.51147	1.1
226.02560	1.6
227.03432	3.4
228.15216	1.0
243.03053	7.1
244.45636	1.3
254.02167	3.6
255.02977	25.5
256.03247	1.7
271.02466	53.2
272.02893	3.9
273.03961	1.8
283.02414	1.5
300.02759	91.7
301.03458	37.4
302.04007	1.4
355.69659	1.1
362.63553	1.3
396.42166	1.1
410.66339	1.0
625.14056	100.0
626.14447	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	688.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52405	0.2
59.01377	1.9
61.98830	100.0
71.01378	1.4
71.18907	0.3
73.02959	0.4
75.45618	0.2
83.01407	0.3
85.02957	0.5
87.00876	0.3
88.98837	0.4
89.02437	0.9
95.01427	0.3
96.96037	0.2
101.02464	1.1
113.02464	0.7
116.92863	0.2
119.03551	0.5
123.04575	0.3
125.02461	0.4
133.02869	0.2
149.02473	0.2
161.04581	0.4
165.05582	0.2
175.02466	0.3
195.06505	0.2
251.06244	0.2
269.04388	0.2
271.06171	0.8
284.03372	0.4
285.04086	0.4
286.08508	0.4
298.04810	0.2
299.05719	0.2
301.10950	0.8
327.05167	1.7
357.06351	0.3
447.09576	0.4
625.21973	1.3
653.15240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76664	0.1
59.01377	0.6
60.99304	0.1
61.98829	100.0
62.54949	0.1
63.99245	0.2
69.26776	0.5
69.27178	0.8
71.01391	0.5
83.01412	0.2
85.02966	0.3
85.44730	0.2
87.03852	0.2
87.42304	0.1
88.98810	0.9
89.02451	0.3
89.08611	0.1
99.09867	0.1
101.02465	0.3
106.99001	0.1
108.02148	0.2
113.02391	0.2
115.00443	0.2
116.92835	0.2
125.02469	0.3
134.03749	0.3
149.06044	0.2
154.99858	0.2
157.01471	0.2
160.01665	0.2
161.02536	0.2
165.05659	0.2
175.04077	0.2
190.02621	0.2
193.05067	0.3
195.06598	0.2
198.67485	0.2
272.06564	0.2
288.08905	0.2
301.10992	0.3
302.11258	0.3
303.11456	0.2
313.07309	0.4
343.08331	0.2
465.16266	0.2
688.23730	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38234	0.6
59.01385	7.0
61.98829	12.0
71.01379	1.3
73.02937	1.1
84.56344	0.7
91.05539	7.3
101.02462	1.3
113.02454	1.0
115.05563	3.5
117.07105	48.6
118.07458	2.2
126.40725	0.7
133.06578	6.9
143.03470	0.7
143.05005	0.8
143.25287	0.6
161.06081	100.0
162.06419	5.0
163.03990	5.4
177.05638	0.9
187.04005	4.0
205.05054	65.1
206.05389	3.3
219.06618	1.9
237.07619	4.5
300.31381	0.7
362.35754	0.7
689.21448	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	689.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.5
59.01379	7.1
61.57395	0.4
61.98823	1.4
71.01384	1.0
79.64297	0.4
85.02970	0.6
91.05536	10.2
92.60420	0.4
98.19747	0.9
101.02442	0.7
113.02422	0.6
115.05535	4.9
117.07108	47.7
118.07434	1.7
123.33134	0.4
133.06601	6.1
135.04512	0.7
143.03508	0.9
143.05008	0.7
161.06076	100.0
162.06410	4.4
163.04007	6.6
176.46352	0.4
177.05592	0.8
187.04012	5.3
205.05052	65.5
206.05362	3.3
219.06676	2.1
230.41615	0.5
237.07719	4.1
268.04135	0.4
291.19763	0.8
375.39407	0.6
483.21881	0.5
600.56958	0.5
689.20813	3.8
690.21045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.1
59.01384	31.0
61.98832	10.5
62.86196	2.0
66.03138	2.4
71.01378	21.4
71.07072	1.9
72.78629	1.9
73.02946	4.9
76.32182	2.2
83.01391	2.5
85.02950	18.9
87.59866	1.9
91.05534	10.4
97.02981	4.0
98.19903	4.1
100.59332	2.1
101.02460	6.5
113.02443	20.7
115.05565	8.9
117.07097	45.8
118.07453	2.6
125.02452	5.4
133.06612	10.9
135.04440	2.8
143.03526	33.8
143.04726	3.0
143.05077	3.2
161.06076	100.0
162.06467	3.1
163.03996	6.6
175.07626	31.9
187.03972	13.5
205.05043	83.0
206.05405	4.2
209.11761	2.1
211.13423	3.4
219.06627	2.8
237.07648	9.1
689.21460	9.6
689.39063	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39256	0.8
55.88749	0.9
59.01373	6.7
61.98830	18.8
70.18629	1.9
70.19023	1.9
71.01380	1.7
73.02945	1.0
76.13573	0.9
85.02948	1.6
91.05525	6.9
99.00889	1.1
101.02455	1.1
110.92160	0.9
113.02441	1.4
115.05521	3.5
117.07099	50.6
118.07420	2.7
133.06575	5.5
135.04524	1.1
137.68723	0.8
139.31287	0.8
143.03552	0.9
149.05937	0.9
161.06079	100.0
162.06433	4.6
163.04018	5.7
181.40623	0.8
187.03952	4.7
191.26675	1.0
205.05051	62.7
206.05345	2.7
219.06519	1.9
237.07640	5.0
297.26276	1.0
529.30157	2.4
689.20502	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	689.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.1
61.98832	12.2
63.05923	0.4
63.31686	0.4
63.32035	0.4
68.99843	0.4
71.01379	1.8
73.02940	1.4
83.01368	0.5
85.02933	0.7
89.02477	0.4
91.05534	8.0
98.19746	0.9
101.02436	1.6
113.02444	0.8
115.05542	6.3
117.03535	0.6
117.07108	45.2
118.07394	2.0
133.06613	7.4
134.06918	0.4
135.04514	1.3
141.86913	0.4
143.03545	0.6
143.05016	1.2
161.06079	100.0
162.06425	3.9
163.04002	8.4
165.05573	1.2
177.05600	0.9
187.04015	9.3
188.04333	0.5
205.05052	68.1
206.05386	3.0
219.06644	5.0
230.45924	0.7
233.87132	0.4
237.05496	0.7
237.07704	7.0
328.75436	0.5
373.49060	0.4
603.20923	0.4
653.41516	0.7
689.20929	3.8
689.39398	0.9
690.20978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.4
57.03449	58.6
58.00602	2.0
59.01379	71.1
61.98835	16.9
63.97652	1.2
66.78308	1.2
68.53493	1.2
69.03452	1.5
71.01381	45.1
71.01772	2.5
71.55686	2.1
72.99303	4.1
73.02951	15.7
75.00897	2.3
81.03455	1.7
83.01369	7.7
85.02946	22.2
86.00101	1.8
87.00882	12.4
87.04534	3.1
89.02446	18.6
91.67852	1.4
94.49950	1.1
95.01392	2.9
97.02943	1.3
99.00881	4.2
99.04520	35.2
101.02442	54.1
103.04002	8.0
111.00853	2.1
112.01684	1.6
113.02449	16.8
115.04012	4.4
119.03510	11.8
122.06199	1.3
125.02448	27.5
126.15478	1.1
131.03470	7.0
142.43343	1.2
143.03481	14.0
145.05142	3.0
149.32190	1.4
152.07135	1.9
159.02979	1.6
161.04585	7.9
161.05820	2.0
163.06119	24.6
165.05536	2.3
175.02420	1.6
187.04071	2.5
195.06564	1.6
205.07164	17.1
229.95050	1.3
247.08263	10.2
254.09525	1.3
307.10400	1.6
333.20770	1.9
354.15521	1.5
381.22888	2.6
399.23828	18.3
400.24222	1.7
494.40848	1.4
527.28156	8.0
528.28656	1.7
545.29639	100.0
546.29956	16.1
561.29358	4.6
587.30511	9.3
629.27679	6.3
630.28918	1.6
653.41052	5.0
689.33386	11.7
690.33276	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	690.2055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.5
61.98825	14.9
69.30483	2.5
69.30891	8.1
73.02937	1.0
80.96526	1.8
88.98790	1.7
93.05878	1.3
109.44429	1.0
120.36588	1.1
136.73740	1.2
147.47578	1.1
239.49898	1.2
299.04337	2.7
300.04617	1.3
435.04129	1.1
444.91208	1.2
447.06931	1.3
452.14825	2.0
481.15375	6.5
482.15308	1.3
495.16702	11.7
496.16968	3.2
508.17569	1.3
535.16260	2.5
536.17194	1.9
540.16235	2.4
551.19403	31.4
552.19812	8.3
554.19183	1.3
567.18182	1.4
572.15454	2.1
578.27356	2.0
586.16901	2.3
595.18256	4.1
627.20990	100.0
628.21185	24.5
630.21149	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	692.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27904	0.2
59.01377	0.8
61.98831	100.0
62.98535	0.2
71.01379	0.7
73.02969	0.3
85.02967	0.3
89.02438	0.2
101.02452	0.5
113.02448	0.3
147.20218	0.2
170.26959	0.2
242.60126	0.2
336.59134	0.2
439.31708	0.2
505.34027	0.3
565.85925	0.3
573.30450	0.2
633.38806	0.6
651.39752	0.6
653.47156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20721	0.4
59.01386	1.8
61.98831	100.0
71.01370	0.6
71.54795	0.8
106.41829	0.6
201.85954	0.5
214.99419	0.7
317.95624	0.5
341.80283	0.5
459.68637	0.5
723.79993	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43121	0.3
53.33730	0.3
59.01372	2.1
61.98831	100.0
70.40471	0.5
70.40833	0.7
70.60989	0.2
71.01394	1.0
71.02925	0.2
73.02946	0.5
77.95511	0.3
85.02979	0.5
89.02448	0.5
101.02454	0.5
113.02458	0.6
115.05560	0.9
117.07076	0.6
133.06584	0.3
143.03520	0.3
161.06033	1.4
166.84529	0.3
175.03989	0.3
187.04037	1.4
273.39526	0.3
342.27057	0.3
565.79449	0.3
651.39832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2034
Annotation	Helonioside A
Peak:m/z	Relative Intensity
57.45555	0.7
61.76317	0.5
61.98833	3.5
62.20798	0.5
67.58081	0.5
69.49038	4.7
70.24103	0.5
71.01386	2.5
73.02962	0.9
83.01372	0.9
85.02929	1.2
89.02459	0.8
96.96034	1.7
98.19885	1.1
98.95620	1.6
101.02441	0.8
103.19248	0.6
109.18491	0.7
113.02462	1.0
115.00400	1.2
117.03495	0.6
119.05045	1.1
121.02967	1.0
132.02177	8.1
133.03030	3.1
134.03751	53.8
135.04149	1.8
137.02454	7.3
139.04002	2.5
145.02911	0.8
147.04559	1.7
148.05338	1.6
149.06087	18.3
149.07246	1.1
150.03238	1.3
150.06372	1.2
155.70450	0.6
160.01669	41.8
161.02467	4.5
175.04002	45.1
176.04657	4.4
177.01935	0.8
177.05544	0.5
178.02724	33.0
179.03227	2.5
191.07155	1.9
192.04303	2.0
193.05070	100.0
194.05418	6.7
205.04948	0.7
206.05891	0.7
207.06679	1.8
217.05128	1.0
220.03722	0.8
221.04524	0.7
221.08267	0.9
235.06123	3.8
241.05078	1.0
251.05476	0.6
256.07581	1.0
265.07047	1.2
271.09833	1.5
293.69589	0.7
323.07797	3.8
337.09293	33.8
338.09665	2.3
355.10284	1.0
494.81421	0.7
531.15094	83.4
532.15417	11.9
532.22778	1.0
573.16315	0.8
693.18872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
59.01383	47.7
61.98831	100.0
64.45431	1.2
70.01867	5.4
71.01379	17.1
71.13277	1.2
72.99317	1.9
73.02955	9.4
83.01373	3.1
85.02955	8.6
87.00864	5.6
89.02441	7.8
91.46443	1.4
95.01367	2.1
99.00847	2.2
101.02457	17.5
103.03999	3.6
107.34724	1.5
111.00853	1.5
113.02436	8.3
115.03983	2.5
115.05527	5.5
119.03460	3.8
125.02429	2.0
131.03506	4.2
131.21835	1.4
143.03494	5.9
145.05028	2.5
159.92162	1.2
161.04521	4.8
161.05946	2.9
163.06148	14.6
187.03983	4.9
205.07201	8.0
227.07147	2.0
247.08174	5.1
256.07471	2.5
271.09698	2.7
333.20517	2.5
357.13263	1.5
381.22714	2.0
390.12717	1.4
399.23843	8.8
433.15247	1.9
458.11819	2.2
527.28522	9.0
545.29681	46.7
546.29907	7.0
587.31079	8.0
588.30988	2.0
694.41235	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.0
57.03444	6.0
58.00587	1.2
58.52965	1.1
59.01094	2.0
59.01376	22.9
60.81451	1.2
60.85906	1.0
61.98829	26.5
68.99809	2.4
69.03444	3.5
69.33859	7.6
71.01381	84.5
72.99310	3.7
73.02951	22.1
75.00864	6.5
81.03449	3.3
83.01382	12.9
83.05035	1.6
85.02950	46.6
86.03266	1.4
87.00873	6.4
88.98796	4.2
89.02451	5.4
93.03474	2.6
95.01394	13.5
96.96015	2.0
97.02949	5.6
99.00872	10.8
99.04464	1.5
101.02441	40.5
101.70383	1.1
108.02174	32.0
109.02953	68.2
111.00873	1.5
111.04479	2.1
112.98748	1.5
113.02444	42.8
115.00389	1.7
115.05551	2.9
116.92873	2.2
119.03500	1.2
119.04990	2.2
123.00874	8.3
123.04482	2.0
124.01617	1.1
125.02454	9.5
132.02142	5.6
134.03697	7.7
135.04530	9.3
137.02440	2.4
139.00388	1.8
143.03494	10.9
145.03009	1.4
149.02464	2.1
149.06058	1.6
150.02995	1.1
151.00362	4.3
151.04001	3.5
152.01102	1.7
159.02995	9.9
159.04181	1.9
160.01654	24.7
161.04555	100.0
162.04895	3.4
163.04001	65.9
164.04497	2.3
165.04041	1.5
169.01453	2.9
175.02522	2.0
175.03963	22.4
175.76250	1.2
176.04396	1.3
178.06348	67.4
179.06674	3.0
183.18690	1.0
185.04482	3.2
187.04027	5.2
193.05075	8.4
193.08687	97.1
194.08995	5.0
203.05560	1.6
205.03355	2.3
205.05040	3.4
229.03528	11.1
243.10275	1.7
250.82890	1.2
253.07141	4.1
255.02745	1.2
263.07025	1.5
271.08212	52.5
272.08575	2.7
281.08130	1.5
297.07574	1.8
309.07874	5.2
309.10974	1.7
312.10083	3.5
313.09293	2.4
324.09976	3.1
326.00555	3.0
327.12271	6.0
337.05475	1.2
337.09247	28.3
338.09683	1.3
339.07196	65.1
339.11978	4.1
340.07428	4.9
355.13885	4.9
386.02719	3.1
423.13000	40.0
424.13110	4.1
428.14493	1.1
460.59747	1.1
473.14645	1.3
497.27499	8.7
551.18127	3.5
601.70062	1.4
677.03662	1.4
695.13519	1.6
695.23480	12.0
695.37830	3.1
696.24078	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	695.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
58.00608	0.4
59.01378	19.1
59.37748	0.4
61.98832	6.5
71.01381	5.6
72.99268	0.3
73.02947	2.8
83.01381	1.6
85.02941	4.1
89.02431	1.7
95.01388	1.1
97.02969	0.7
99.00883	0.8
101.02435	7.8
113.02447	6.1
115.05540	7.5
117.07088	2.2
118.05602	0.3
119.03500	0.8
123.04541	0.9
125.02447	0.7
125.73366	0.4
127.00336	0.5
131.03505	0.4
143.03470	0.8
148.78474	0.4
149.04512	0.7
159.02844	0.5
161.04564	2.6
161.06073	6.6
162.06409	0.4
187.04001	12.6
188.04329	0.4
193.07166	10.7
213.05548	13.1
213.07608	0.8
214.05942	0.8
221.06561	0.4
229.03548	2.9
229.08354	0.4
235.08176	1.3
241.05054	40.8
242.05421	2.5
243.06541	0.9
255.03137	0.8
255.06604	2.3
256.07397	86.4
257.07745	6.1
261.06125	6.3
271.09738	100.0
272.07382	0.7
272.10104	7.1
284.03278	1.6
285.03946	1.0
323.11316	0.7
356.80307	0.4
415.13965	0.8
423.11322	0.7
427.12332	1.3
433.15002	58.6
434.15283	6.7
473.14703	1.6
489.10214	1.8
501.14111	5.4
502.14117	0.7
551.17902	0.8
695.22339	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	695.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.70938	0.2
61.98829	2.5
71.01380	1.6
71.78471	0.2
73.02936	0.4
83.01382	0.3
85.02940	0.9
89.02446	0.7
91.05537	1.0
93.03464	0.6
95.01372	0.3
95.05014	0.3
98.19849	0.4
99.00912	0.4
101.02445	1.5
113.02446	1.2
115.05535	72.0
116.05876	3.1
117.03485	2.0
117.07102	6.3
118.07514	0.3
119.03513	0.4
121.02932	0.3
123.04530	3.8
125.02425	0.2
133.06607	0.7
135.04510	0.3
143.03891	0.4
143.05020	7.2
149.02415	0.5
160.01616	0.3
161.02335	0.4
161.04634	0.5
161.06070	10.9
162.06477	0.4
163.03902	0.4
163.66864	0.2
175.02519	0.3
175.03987	0.4
179.05634	0.2
187.03998	100.0
188.04327	4.7
205.05058	7.4
206.05475	0.2
221.09663	0.5
267.10321	0.3
305.08731	0.6
323.09756	1.4
337.09317	0.3
365.10974	0.6
374.85037	0.2
427.12521	0.2
429.14255	0.3
447.15051	0.7
473.14490	29.9
474.14856	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	695.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03441	2.3
58.00585	1.3
59.01378	67.0
59.51539	0.5
59.82972	0.5
60.01699	0.9
61.98838	3.7
69.03445	1.6
69.42766	4.7
71.01381	27.4
72.01727	0.6
72.99314	1.2
73.02946	11.3
75.00878	1.2
81.03462	0.5
83.01399	3.7
85.02952	17.2
89.02437	10.5
91.05495	0.7
94.74757	0.6
95.01379	6.3
95.08207	0.6
97.02944	1.2
99.00867	1.1
100.83492	0.6
101.02440	28.9
102.02876	0.6
113.02448	45.7
114.02789	1.5
115.05537	54.1
116.05833	1.6
117.03439	1.4
117.07102	18.0
118.07436	1.1
119.03506	9.3
123.04525	5.1
125.02470	1.5
131.03516	4.6
133.06583	0.7
143.03506	7.7
143.04997	4.5
147.02936	0.8
149.04552	5.2
155.03339	0.5
160.01602	0.6
161.04575	14.8
161.06076	61.1
162.03255	0.6
162.06378	3.3
180.04292	1.8
187.03999	100.0
188.04335	5.7
195.06595	3.0
205.04997	4.7
221.06616	3.8
222.51108	0.6
237.42445	0.6
285.09872	1.6
323.11401	9.0
324.11746	0.7
357.11908	1.3
427.12439	14.8
428.12772	1.2
458.87759	0.6
473.14459	12.7
473.21100	0.8
474.14835	1.7
695.21881	12.6
696.22186	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	695.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.2
57.03462	0.4
58.00584	0.4
59.01376	11.6
61.98831	1.5
69.03455	0.3
69.72885	0.7
69.73306	0.3
71.01375	6.6
72.99303	0.5
73.02944	2.0
75.00895	0.3
81.03444	0.2
83.01389	1.1
85.02953	3.6
87.00858	0.3
88.98797	1.1
89.02434	2.5
91.05540	0.4
93.03461	0.5
94.28049	0.1
95.01384	1.5
96.96027	0.2
97.02937	0.2
99.00890	0.2
101.02447	5.6
101.98323	0.2
113.02450	9.2
115.05533	69.0
116.05860	3.2
116.92812	0.2
117.03455	1.9
117.07101	8.0
118.07411	0.4
119.03478	1.8
119.05018	0.3
121.02958	0.5
123.04514	3.2
124.04852	0.2
124.35696	0.2
125.02408	0.4
131.03506	0.9
133.02934	0.2
133.06581	0.2
135.04535	0.2
137.02393	0.2
140.50787	0.2
143.03568	1.3
143.05026	6.5
144.05318	0.3
145.02969	0.2
147.02930	0.3
149.02380	0.4
149.04533	1.2
150.03125	0.2
155.82921	0.2
160.01627	0.2
161.04584	2.7
161.06055	19.2
162.03163	0.2
162.06435	0.8
167.03471	0.3
170.11526	0.2
175.02536	0.4
175.03987	0.2
177.05527	0.4
179.03445	0.2
179.05704	0.3
181.23964	0.2
187.03993	100.0
188.04337	5.4
195.06670	0.3
205.05051	6.9
206.05382	0.3
221.06624	0.8
221.09615	0.5
233.42836	0.2
249.09309	0.2
267.10165	0.2
285.09753	0.3
300.02765	0.2
323.11285	1.5
327.71249	0.2
357.24615	0.2
427.12323	1.8
428.12741	0.3
473.14490	26.4
474.14838	3.1
491.94199	0.2
537.78015	0.2
694.47784	0.2
695.21869	2.0
695.38885	0.5
696.22266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98871	0.3
59.01381	4.6
61.98833	1.8
69.36494	2.5
71.01375	2.2
73.02941	1.3
75.00865	0.4
83.51622	0.3
85.02950	0.8
87.40776	0.3
89.02447	1.0
91.05544	0.7
93.03476	0.5
99.92599	4.3
101.02451	1.6
113.02455	1.5
115.05534	76.1
116.05865	2.9
116.92857	32.0
117.03499	1.8
117.07099	5.3
117.92842	2.0
119.03539	0.6
121.02901	0.4
123.04549	3.0
123.79289	0.4
125.02380	0.4
128.03595	0.5
143.05022	6.6
151.03943	0.5
161.04778	0.5
161.06062	10.3
162.03229	2.1
162.06453	0.7
165.05438	0.5
167.03529	0.4
175.04012	0.4
177.05573	0.6
179.03539	0.6
180.04282	5.0
187.04007	100.0
188.04355	5.6
195.06621	8.5
205.05054	6.9
221.09761	0.6
337.09021	0.5
357.11938	3.3
393.18610	0.3
473.14471	29.7
474.14883	3.8
525.29816	0.4
695.22180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02460	0.6
52.88268	0.5
55.01871	0.9
55.80744	0.5
57.03431	0.5
59.01105	1.1
59.01383	16.8
61.98530	1.1
61.98833	16.3
71.01379	10.5
72.99294	1.6
73.02928	1.8
83.01368	1.7
85.02958	2.9
88.98798	1.0
89.02444	10.6
95.01374	1.0
98.20650	1.9
99.04515	2.1
101.02448	7.9
101.09286	0.5
113.02458	5.3
115.05524	1.7
116.92832	0.9
119.03513	3.3
123.04490	1.0
125.02444	0.8
134.03671	0.6
137.02406	1.3
143.03305	0.6
145.02930	1.2
151.03946	0.9
160.01665	1.1
161.02448	0.8
161.04555	1.3
165.05496	0.8
175.03932	1.0
179.05612	0.9
187.03989	2.6
203.18074	0.8
220.69414	0.7
227.07127	0.7
230.35866	0.6
241.08899	0.6
243.10191	2.2
247.17003	0.7
285.04031	0.7
307.08163	0.7
317.21216	3.0
337.08960	1.0
352.92273	0.7
405.15561	1.0
407.20532	0.6
475.54459	0.6
497.27551	100.0
498.27896	13.0
695.30817	2.7
696.33838	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48097	0.3
59.01379	100.0
60.01703	1.2
60.02460	0.3
61.98826	1.1
65.30312	0.3
69.65901	1.8
78.29741	0.3
78.55009	0.3
78.95905	12.7
81.28145	0.2
98.20594	0.6
113.42290	0.3
116.32681	0.3
146.96545	0.4
149.00015	0.6
205.15929	1.1
209.75313	0.3
285.12549	0.4
288.68054	0.3
306.00842	0.3
355.16653	0.3
374.33569	0.3
447.13309	0.6
653.30347	0.8
695.31152	51.0
696.31488	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06961	0.1
57.04661	0.1
59.01384	0.7
61.98832	2.4
64.51910	0.1
68.99561	0.2
71.01379	0.6
71.13551	0.2
71.13885	0.1
71.90972	0.1
73.02946	4.2
82.18900	0.1
85.02958	0.3
87.00905	0.2
89.02436	0.3
92.36501	0.1
99.00883	1.3
99.92590	11.1
100.92598	0.5
101.02474	0.3
109.02960	0.2
113.02447	0.3
114.93406	0.4
115.99928	0.1
116.92864	100.0
117.01942	6.2
117.92871	4.9
118.02237	0.1
125.86765	0.1
128.91042	0.1
135.04503	0.2
145.02959	0.2
151.03908	0.2
153.01965	0.2
161.04590	0.2
175.02487	0.2
182.71777	0.1
193.05118	0.3
227.03452	0.7
241.05028	0.1
253.07196	0.2
255.02977	1.6
256.03348	0.2
256.07462	0.3
271.09753	0.4
277.11334	0.2
284.03207	1.8
285.03900	0.4
317.90884	0.2
351.10889	0.2
406.32681	0.2
469.05338	0.1
497.27438	0.2
579.20795	0.6
697.17310	1.2
698.17554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59017	0.4
59.01378	100.0
60.01717	0.6
61.98830	14.2
70.74826	0.7
70.75156	0.8
72.00344	0.6
119.05067	1.7
121.02939	3.0
129.65659	0.5
134.03801	0.7
135.04527	0.6
137.83922	0.4
143.66025	0.5
154.55620	0.4
161.43221	0.5
163.03999	1.1
165.01733	0.5
183.10182	0.5
193.05070	0.6
209.04578	1.9
593.13013	1.3
627.08990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81725	0.4
59.01382	2.3
61.98831	10.4
63.02378	0.6
63.96241	1.0
65.00339	0.5
69.28619	3.0
79.54424	0.5
82.00677	0.4
83.01383	0.5
85.02956	1.0
89.02480	0.7
90.81895	0.4
95.01389	0.5
98.20651	0.8
101.02438	0.5
107.01395	1.6
108.02182	1.9
109.02936	4.2
113.02466	0.7
121.02952	0.9
123.00873	0.5
132.02206	1.7
135.00861	1.4
135.04539	0.6
143.55069	0.4
145.02972	0.5
151.00346	3.0
160.01619	0.5
163.00383	1.2
175.03952	0.5
178.99901	1.9
183.04518	1.2
185.02400	0.5
187.03989	1.5
188.11020	0.6
199.03926	0.8
200.04927	0.6
211.04018	3.5
227.03493	48.6
228.03889	3.4
229.05075	1.6
239.03499	1.1
255.02983	87.3
256.03528	10.2
257.04462	1.5
267.02936	0.4
268.03787	0.6
269.04523	1.9
281.04456	0.5
283.02493	1.6
284.03256	100.0
285.03867	16.2
286.04352	1.1
327.05096	0.5
337.09320	0.8
359.27725	0.4
411.07285	0.7
452.44510	0.4
533.10840	1.4
534.60193	0.4
551.11633	0.4
575.13745	1.1
635.16315	1.5
677.47437	0.4
697.17737	50.2
698.18066	11.8
698.30255	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01379	19.8
61.98834	9.1
65.66940	0.4
68.99817	1.0
69.03455	1.1
71.01382	6.6
71.56665	0.6
73.02947	1.5
79.01865	0.5
81.03461	1.5
83.01387	1.5
85.02950	12.5
87.00851	0.6
88.98808	0.4
89.02446	0.4
90.44736	0.4
93.03468	0.6
95.01390	10.5
97.02935	0.8
98.54707	0.3
99.00886	1.0
101.02427	2.8
105.30036	0.4
106.06641	0.4
107.05039	0.4
108.02177	38.0
109.02954	100.0
110.03302	2.5
111.00867	0.8
113.02444	3.0
119.03524	0.4
119.05039	0.5
123.00880	9.0
123.04539	1.0
135.04514	0.7
150.05591	0.6
151.03984	5.2
152.04282	0.4
160.01654	0.7
161.04582	1.4
161.05922	0.4
161.60364	0.4
163.04024	0.8
170.23521	0.4
175.03978	0.9
177.05634	0.4
187.04015	0.6
191.05675	0.4
193.05063	0.8
203.05603	5.4
204.05952	0.5
247.07751	0.4
253.07118	2.5
271.08362	0.6
272.17648	0.4
281.08115	0.7
309.07697	2.8
309.10983	0.5
312.10022	0.6
313.09314	6.6
314.09531	0.5
323.09232	0.8
324.09781	1.8
327.12317	0.4
337.09509	0.5
339.12375	2.9
552.93439	0.4
563.55444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98831	58.6
63.64400	1.8
71.01371	6.3
71.55679	2.4
72.08471	2.1
77.05807	2.1
89.02465	3.4
92.82550	2.0
96.54178	1.9
101.02432	6.4
113.02438	5.0
117.16193	2.0
161.04539	3.4
163.03975	2.9
231.57430	2.2
263.20135	8.3
272.37228	2.3
340.96710	2.5
397.13397	19.5
415.14456	6.8
637.43304	8.4
697.32678	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	698.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64579	0.5
57.81749	0.5
59.01372	2.1
61.98829	100.0
71.76310	0.5
85.02936	0.8
89.02437	1.0
101.02457	0.8
107.01390	1.3
113.02453	0.7
130.48199	0.5
132.02209	0.6
135.00897	0.8
145.05017	0.6
151.00403	1.6
155.39563	0.5
183.04517	1.7
187.04048	0.7
190.02701	0.7
200.33197	0.5
205.05138	0.5
211.03951	1.5
213.05515	0.9
227.03493	21.7
228.03908	1.5
229.05040	1.9
229.15573	0.7
239.03419	1.0
255.02979	44.7
256.03513	5.6
257.04529	1.2
263.25565	0.6
267.06747	0.8
269.04553	1.0
283.02417	7.1
284.03256	62.4
285.03943	22.8
286.04349	1.6
297.11240	0.8
341.10693	0.6
345.13416	0.6
367.10309	1.0
536.39972	0.7
575.14215	3.7
576.14233	0.7
635.16107	70.8
636.16449	12.3
699.20380	0.8
699.33142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45510	0.5
59.01386	0.8
60.99300	0.7
61.98833	100.0
71.56622	0.6
83.96097	0.6
88.98815	3.7
96.79086	0.5
101.02444	0.7
115.05531	3.8
116.05872	1.3
116.92888	1.0
117.06211	0.6
151.00427	0.8
161.04601	0.7
161.06052	0.7
165.05641	0.9
187.03941	3.3
188.04382	2.9
189.04520	1.2
227.03505	13.4
228.03897	1.3
229.05133	0.8
255.02988	26.1
256.03571	3.4
284.03256	35.6
285.03809	6.1
439.80716	0.6
476.15442	0.9
635.16174	40.6
636.16370	6.7
698.18945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.6
61.98830	100.0
69.96440	0.7
69.96830	1.1
70.90173	0.4
75.20061	0.5
77.07028	0.4
77.48115	0.4
78.95910	1.3
91.47333	0.4
107.54243	0.4
143.07208	0.5
224.01640	0.4
235.74423	0.4
241.23038	0.4
280.55209	0.5
407.20493	0.4
452.86890	0.4
533.44122	0.5
698.32562	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
59.16614	0.3
61.68407	0.2
61.98832	100.0
69.27288	1.0
69.27711	1.5
70.39722	0.3
70.40112	0.2
88.98892	0.3
98.20650	0.7
115.05544	0.6
116.50299	0.3
117.03457	0.3
119.05016	0.8
134.53723	0.2
142.58371	0.2
145.02974	0.7
161.06129	0.6
163.04001	0.9
164.04388	0.3
187.04012	1.1
212.62611	0.2
232.66934	0.3
293.81284	0.3
341.59695	0.3
473.14792	0.3
698.23376	0.6
699.21576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
59.96901	0.1
61.98830	100.0
62.98523	0.1
68.07786	0.2
71.01374	0.3
71.12762	0.3
88.98810	0.3
89.02457	0.1
101.02454	0.2
113.02430	0.2
115.05539	1.1
116.19509	0.2
117.03468	0.3
117.07140	0.3
119.05047	0.6
133.06592	0.3
135.04454	0.2
145.02945	0.3
161.06114	0.6
163.04071	0.8
187.03978	1.0
205.05136	0.2
211.13480	0.2
460.53024	0.2
699.24402	0.2
699.38171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15351	0.1
59.01395	0.1
61.98832	100.0
62.98530	0.2
71.02805	0.2
79.29025	0.1
115.05528	0.1
147.20912	0.1
154.77000	0.1
161.06091	0.2
187.04083	0.2
241.98106	0.1
303.43130	0.1
303.46533	0.2
586.67139	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	699.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91742	0.4
59.01377	1.4
60.98997	0.9
60.99309	18.2
61.98833	3.9
69.59488	2.7
71.01373	0.6
73.02947	0.4
88.98808	100.0
89.02381	0.6
89.99133	0.9
90.87363	0.4
98.20605	0.9
116.92817	0.7
125.02459	0.8
142.45796	0.4
151.00395	0.8
151.04054	0.4
161.02495	0.8
168.00626	0.5
209.93831	0.5
227.03467	4.8
229.05045	1.5
255.02960	6.8
256.03644	0.7
257.04391	1.0
284.03244	8.3
285.04019	15.1
286.04416	1.0
331.06638	1.2
349.18570	0.7
363.83502	0.4
378.28601	0.6
609.14581	21.1
610.15186	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69620	1.1
58.16888	1.1
59.01365	1.6
61.98830	12.8
69.88177	5.9
88.98810	8.4
91.27009	1.2
91.52808	1.1
101.02413	1.5
108.02146	1.7
116.92873	1.3
119.05071	1.6
121.02942	3.3
125.02419	1.6
145.02888	1.4
148.01683	2.1
150.03217	4.5
151.00365	9.0
163.00320	2.3
163.03993	2.2
164.01184	1.4
165.05507	4.1
178.99847	5.4
190.02733	1.8
195.06685	1.4
227.03357	1.5
229.04903	2.1
243.02928	6.3
248.43077	1.7
253.05067	2.0
255.02956	17.5
256.03323	1.9
271.02469	37.9
272.03033	3.8
285.04037	2.0
300.02765	70.0
301.03467	25.4
302.03833	1.9
385.30600	1.3
422.55560	1.2
461.23392	1.5
593.14734	1.8
609.14606	100.0
610.14813	15.9
623.02301	1.5
680.40869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69620	1.1
58.16888	1.1
59.01365	1.6
61.98830	12.8
69.88177	5.9
88.98810	8.4
91.27009	1.2
91.52808	1.1
101.02413	1.5
108.02146	1.7
116.92873	1.3
119.05071	1.6
121.02942	3.3
125.02419	1.6
145.02888	1.4
148.01683	2.1
150.03217	4.5
151.00365	9.0
163.00320	2.3
163.03993	2.2
164.01184	1.4
165.05507	4.1
178.99847	5.4
190.02733	1.8
195.06685	1.4
227.03357	1.5
229.04903	2.1
243.02928	6.3
248.43077	1.7
253.05067	2.0
255.02956	17.5
256.03323	1.9
271.02469	37.9
272.03033	3.8
285.04037	2.0
300.02765	70.0
301.03467	25.4
302.03833	1.9
385.30600	1.3
422.55560	1.2
461.23392	1.5
593.14734	1.8
609.14606	100.0
610.14813	15.9
623.02301	1.5
680.40869	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
60.99306	16.9
61.98832	4.8
71.01388	1.0
71.19037	0.7
76.01433	0.3
76.73224	0.3
83.62231	0.3
85.02938	0.7
87.25277	0.3
88.98808	100.0
89.02428	0.6
89.99153	1.1
101.02451	0.6
119.03471	0.3
119.05022	0.4
125.02483	0.4
137.02455	1.1
149.06032	0.3
217.66519	0.3
224.60452	0.3
271.06000	0.6
271.47537	0.3
286.08548	0.5
301.10822	0.5
367.10294	0.4
411.81293	0.3
609.21936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50007	0.7
55.01866	1.4
57.03438	2.5
58.00599	4.6
59.01379	93.0
61.98837	1.8
69.26328	7.8
71.01382	70.5
72.01715	0.9
72.99300	5.8
73.02941	2.9
75.00829	0.9
81.65403	0.8
83.01391	3.0
85.02960	11.3
87.00886	5.6
89.02445	100.0
90.02762	1.9
93.03447	0.9
95.01383	5.1
101.02442	40.3
102.02788	0.9
113.02452	28.6
117.03490	1.5
119.03502	42.8
123.04533	1.9
124.01653	0.8
125.02428	1.4
131.03523	5.3
133.02902	1.9
134.03702	1.2
135.04524	0.8
143.03519	9.1
145.02942	5.7
147.04486	1.2
149.02534	1.4
149.04524	4.1
150.03226	0.8
151.04045	0.8
158.00229	0.8
161.02484	5.4
161.04547	12.7
162.03223	76.9
163.03610	3.5
164.04831	0.8
164.07095	0.9
170.13562	0.8
177.05565	69.1
178.05933	4.2
179.05609	34.8
179.07172	2.0
180.04297	1.9
180.05893	1.2
195.06599	5.3
219.06601	1.4
327.12360	1.4
349.18518	4.6
357.11838	7.6
537.20239	4.3
672.19965	1.0
699.25848	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	699.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01382	7.6
61.42046	0.7
61.98532	1.1
61.98833	18.6
62.88120	0.9
71.01376	8.3
73.02941	2.3
81.03446	0.8
83.01387	2.0
85.02948	6.8
87.00871	0.9
93.03442	1.4
95.01383	3.4
97.02937	0.9
101.02435	3.9
107.01390	1.7
108.02175	67.7
109.02974	27.8
110.03284	0.8
113.02458	4.6
115.05562	1.1
123.00883	1.7
123.04514	9.8
125.02463	1.9
133.02928	3.1
133.06531	1.0
135.00868	3.3
137.02438	1.2
138.02022	1.2
138.03148	1.1
151.03984	1.8
152.01154	82.4
153.01955	38.1
153.05574	22.7
154.02179	1.0
161.04588	2.2
163.03986	2.6
163.53387	0.9
165.01942	3.0
176.01187	1.1
177.01935	33.0
177.03523	1.6
178.02243	1.1
187.03998	2.1
191.03568	1.0
195.06580	1.0
315.07224	100.0
315.10645	5.4
315.17883	2.2
316.07538	7.6
339.07193	52.9
340.07407	2.9
383.06152	52.8
384.06573	6.1
384.17245	1.0
401.07288	12.3
591.82574	1.0
699.25116	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	699.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23539	2.4
52.35133	2.1
55.01882	2.0
59.01381	15.5
61.68216	2.2
61.98829	46.7
71.01379	15.8
72.99286	2.6
73.02959	3.1
83.01385	2.5
85.02959	6.7
87.00850	2.9
89.02435	8.6
95.43784	2.4
101.02422	8.3
105.01917	2.3
108.02161	3.9
113.02444	6.5
119.03512	3.5
125.02406	5.3
152.01125	4.8
153.01891	3.0
161.04591	3.5
164.15768	2.0
179.05565	3.8
187.03905	2.8
259.05276	2.2
261.12442	2.3
327.05261	2.7
356.43265	2.2
461.30139	2.3
501.30893	6.1
519.31787	4.8
537.20844	3.3
599.28821	18.2
600.30206	2.4
637.15552	3.1
663.35992	100.0
664.36261	15.4
699.33667	58.2
700.34070	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	699.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
57.75528	2.0
59.01378	33.6
61.98832	10.0
70.60051	3.4
70.60380	4.1
71.01379	25.2
72.99302	2.7
73.02940	5.7
75.00871	32.9
77.04281	2.0
83.01411	3.3
85.02957	4.7
85.23039	1.9
87.00889	7.5
89.02449	23.4
96.96002	5.7
97.02966	4.9
101.02435	21.5
113.02453	7.9
119.03480	6.2
125.02438	9.0
143.03532	4.3
146.89854	2.2
161.04520	4.6
161.79004	2.1
179.05672	3.3
235.08229	9.1
241.21713	75.3
242.22046	8.0
253.09258	2.7
281.39246	2.0
287.07709	3.1
397.13489	100.0
398.13940	8.4
415.14639	25.2
535.97284	2.2
616.90839	2.5
639.37573	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	700.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11858	0.3
59.01377	3.8
61.98830	100.0
62.98533	0.4
65.90302	0.3
70.93052	0.9
79.83755	0.3
83.20740	0.3
85.74322	0.3
111.23012	0.3
115.05570	1.1
119.05054	1.5
133.06589	0.6
161.06090	0.8
163.03999	1.6
164.04395	0.5
171.10313	0.4
187.04033	1.6
231.42519	0.3
241.72864	0.3
278.17801	0.4
363.08316	0.4
687.35077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88892	0.2
59.01379	0.2
61.98833	100.0
63.99263	0.3
71.01406	0.2
82.18043	0.1
111.40523	0.2
112.56944	0.2
115.05529	0.4
119.05081	0.5
124.13176	0.2
145.02925	0.3
161.06059	0.3
163.04010	0.7
165.05647	0.2
172.65599	0.2
176.46111	0.2
178.70088	0.2
187.04088	0.5
257.69513	0.2
377.25601	0.2
700.24677	0.2
700.36694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.0
59.83148	0.2
61.98833	100.0
70.88512	0.5
72.99294	0.2
101.02522	0.2
115.05584	0.4
117.03474	0.4
119.05042	1.1
119.87157	0.2
121.02977	0.3
131.03447	0.2
133.06631	0.5
135.04469	0.2
145.02922	0.3
161.02452	0.2
161.06131	0.6
163.04068	0.8
165.05615	0.6
187.04022	0.7
188.04332	0.3
211.13365	0.3
250.17407	0.2
262.93427	0.2
303.19653	0.2
304.17566	0.2
306.79675	0.2
435.57529	0.2
442.22778	0.2
700.36682	0.4
701.36652	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98830	100.0
63.99255	0.2
70.54819	0.3
76.87165	0.1
115.05574	0.1
119.05043	0.4
127.81646	0.1
145.03006	0.3
155.26247	0.1
161.06082	0.2
163.04047	0.4
165.05594	1.0
187.04102	0.1
217.37317	0.1
237.39384	0.1
246.95528	0.1
317.27475	0.1
369.13559	0.3
383.92365	0.1
552.27917	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	701.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01730	1.2
60.66077	0.3
60.99303	0.3
61.98832	10.0
62.03716	0.3
71.01385	0.9
81.00718	0.4
85.02943	0.6
88.98839	0.8
89.02435	0.4
91.05516	0.4
101.02455	0.5
104.23033	0.3
111.91730	0.4
112.40540	0.3
115.05550	1.4
117.07102	1.5
117.72650	0.3
119.94353	0.4
123.04451	0.3
130.13058	0.3
133.06612	3.4
149.02426	2.7
151.04048	1.2
161.02446	6.3
161.04599	0.8
161.06091	2.7
163.04056	0.9
164.04802	4.9
165.05489	0.6
167.03552	0.6
176.04778	6.0
177.05284	0.5
179.03506	9.9
179.07088	7.4
179.08585	0.6
180.07466	0.5
187.04030	2.7
191.07123	3.4
194.05843	12.0
195.06255	1.0
207.06578	0.5
207.75417	0.3
209.08191	53.9
210.08514	2.1
211.13390	0.4
221.06651	0.5
237.09946	0.4
241.05051	0.8
255.06631	3.5
256.07318	1.9
269.08224	0.7
270.09055	1.0
271.09772	1.3
311.07770	0.7
341.26706	0.4
449.15887	2.8
450.16061	0.5
461.15982	2.3
472.04794	0.4
473.14453	0.9
479.17249	3.5
480.17923	0.6
503.32153	0.4
579.18225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.9
57.03442	5.4
59.01105	1.9
59.01380	31.5
60.87666	1.3
61.98829	40.0
66.43712	1.1
69.03451	2.3
71.01382	95.5
71.04713	2.4
72.06631	1.3
72.99299	2.9
73.02950	26.4
75.00884	2.2
75.93403	1.3
81.03442	3.4
81.06783	1.3
83.01390	15.6
85.02959	42.0
86.03275	1.7
87.00864	5.1
89.02454	11.9
93.03452	3.2
95.01385	13.5
95.04996	1.4
97.02937	5.4
98.76121	1.3
99.00874	14.1
101.02449	57.0
109.02975	1.8
111.00864	2.3
113.02450	51.6
115.00340	4.1
119.03503	2.8
121.02937	3.7
122.03662	1.8
123.00887	24.8
123.04552	8.1
124.01667	72.9
125.02507	7.3
129.01892	1.6
131.03514	1.9
132.02138	1.6
137.02412	4.6
138.03270	8.2
139.00388	2.7
139.04008	73.2
140.04366	3.5
143.03502	9.9
149.02402	2.2
151.03995	3.3
155.07176	1.4
159.02956	9.5
160.01643	5.1
161.04553	100.0
163.04033	2.2
165.05542	6.0
166.02698	1.6
167.03510	18.1
169.01439	3.2
175.02469	8.8
175.04012	6.0
176.04369	1.4
181.05029	3.8
191.03467	4.3
193.05072	3.3
195.06650	2.9
205.03575	2.2
209.04539	1.9
223.06111	2.1
229.03598	2.1
235.06030	3.1
245.06409	1.5
301.03503	2.5
301.06091	2.8
301.09293	55.6
302.09500	4.0
331.17636	26.7
332.18115	2.0
337.09311	2.9
338.09518	5.4
339.09854	3.4
363.17090	2.0
369.08234	93.3
370.08768	7.9
399.16565	72.0
399.21848	2.7
400.16885	7.4
496.77847	1.6
526.97430	1.5
536.20038	1.6
701.26031	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	701.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	0.5
59.01382	6.7
61.98838	2.6
63.75448	0.3
64.85989	0.4
71.01371	1.0
71.55110	0.4
76.20967	0.3
85.02946	0.5
89.02445	1.0
98.12882	0.4
101.02422	1.5
113.02444	0.8
140.08340	0.4
140.15294	0.4
151.18445	0.5
159.21420	0.4
160.23465	0.5
161.04463	0.4
165.05501	0.6
167.14421	0.4
171.10216	0.8
181.12372	0.5
183.04341	0.4
183.13892	6.1
193.12325	1.6
211.13385	100.0
212.13727	5.0
235.08131	1.9
253.09242	3.7
429.21277	0.9
447.22324	7.6
448.22736	0.9
623.34491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21329	0.3
51.76037	0.3
61.98830	100.0
68.65722	0.3
78.91904	0.6
82.04704	0.3
90.40562	0.3
121.22861	0.3
129.82834	0.3
144.33102	0.4
194.37212	0.3
567.43152	0.3
615.82031	0.4
660.42572	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74722	0.4
57.39965	0.4
61.98831	100.0
70.56622	1.2
159.23392	0.5
185.20618	0.6
201.84595	0.4
207.82010	0.4
504.74652	0.5
534.54834	0.5
637.44653	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.5
57.03453	3.6
59.01377	12.0
61.98830	36.2
65.00339	0.8
67.01888	4.0
68.99821	1.7
69.03470	0.8
71.01379	20.4
72.99308	2.3
73.02956	3.9
75.00893	1.1
79.01900	0.8
81.03461	3.3
83.01383	8.6
85.02957	7.7
87.00874	2.8
88.98812	0.9
89.02445	3.9
95.01381	1.5
97.02958	1.3
99.00885	31.1
101.02443	7.2
108.99328	1.7
109.02965	1.3
110.68821	0.8
111.00885	8.6
111.26689	0.7
112.98812	100.0
113.02438	4.6
113.99162	1.8
115.00370	4.8
115.05543	2.3
116.92866	1.2
119.03559	0.9
119.05006	1.1
123.04520	1.9
125.02459	2.2
127.00380	2.7
128.85384	0.8
129.01944	2.3
133.05219	0.7
135.00877	1.0
136.13937	0.7
136.98798	1.1
139.00377	1.0
142.99869	4.0
143.03506	0.9
145.01433	7.9
153.01981	0.8
153.99051	2.1
154.99863	4.3
157.01422	0.7
161.04549	3.2
161.05971	1.2
163.06201	0.8
164.22414	0.9
165.05617	0.9
166.99805	1.7
169.01358	1.4
173.00908	60.4
174.01292	2.3
178.39586	0.9
187.02600	1.3
187.04060	3.5
187.48433	0.8
194.00974	0.8
197.00899	15.2
199.02658	0.7
215.01962	2.1
217.03552	0.8
240.99902	9.1
271.09702	1.1
315.18195	1.9
337.69894	0.7
341.10385	1.0
347.88699	0.8
352.49728	0.8
461.23849	18.4
462.24133	2.0
529.22961	6.7
530.23376	1.1
571.23956	10.3
572.24335	1.3
600.79364	0.8
659.25958	2.3
665.37177	1.2
667.38721	6.4
703.24634	31.8
703.36292	3.0
704.24817	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	703.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
56.39650	0.9
57.03436	4.2
59.01379	100.0
60.01699	0.9
61.98831	18.9
69.03442	2.4
69.32621	5.3
69.33042	2.3
71.01382	48.5
72.01744	1.2
72.99326	0.9
73.02946	14.6
81.03468	4.7
83.01385	7.7
83.05006	0.9
85.02947	46.7
87.00890	1.3
89.02448	2.8
93.03450	0.9
95.01392	5.2
95.05000	1.2
97.02953	8.2
99.00867	2.0
99.04523	3.5
101.02446	16.3
109.06581	3.0
113.02449	46.2
114.02790	1.4
115.00396	1.4
115.04022	1.2
119.03488	2.1
123.04520	19.4
124.01684	1.0
124.04855	1.4
125.02457	13.1
127.07652	53.2
128.07986	1.1
131.03473	1.5
138.03197	3.2
143.03496	64.4
144.03836	2.6
149.04527	1.9
153.05576	54.3
154.05884	2.2
155.03471	3.8
156.21379	1.0
161.04539	7.3
161.71992	1.0
171.06625	8.6
172.07004	1.1
174.01790	1.1
175.02451	2.7
179.05717	1.1
185.04475	0.9
193.49184	0.9
203.05615	4.5
271.09805	0.9
285.09735	8.4
289.12924	15.4
345.11871	8.9
346.11990	1.1
370.08405	1.1
400.17023	1.1
401.17358	1.3
435.14999	11.2
439.16058	12.6
440.16061	2.0
455.19019	2.7
465.89224	0.9
645.38110	1.1
667.38934	1.8
703.24567	13.8
703.35736	2.0
704.25684	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	703.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85473	1.4
57.03459	1.4
59.01105	2.8
59.01382	48.0
61.98832	39.1
68.99555	2.8
71.01377	33.2
71.54909	1.5
72.99293	1.9
73.02942	15.4
81.00751	1.4
81.03448	1.9
82.53812	1.6
83.01386	9.1
85.02958	8.9
87.00871	4.5
89.02452	15.6
95.01379	2.5
101.02451	25.5
112.98551	2.2
113.02446	12.3
115.05547	3.9
117.07056	1.8
119.03484	7.2
121.02969	1.9
125.02456	3.8
127.00384	2.4
133.06606	1.9
139.00298	2.0
143.03513	2.3
150.03212	2.8
161.04669	2.2
161.06078	5.8
165.05540	1.9
187.02484	3.1
187.03983	6.4
188.04515	2.0
215.75314	1.5
233.02248	2.0
275.20096	5.0
293.21243	17.6
293.47476	1.6
294.21466	2.4
413.21759	15.2
437.26227	2.0
455.26346	6.2
479.26190	2.1
481.20926	10.5
497.27588	100.0
498.27963	15.2
565.22998	5.2
643.26251	5.3
703.37982	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67148	19.3
53.90862	17.7
61.98842	100.0
67.60992	17.5
70.97118	31.1
70.97482	40.1
71.92017	18.6
78.49754	17.0
89.59852	17.0
159.09248	19.9
277.22018	24.2
295.21701	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	46.5
69.52588	100.0
98.19896	28.5
119.99104	13.8
139.22290	12.5
178.88405	12.2
240.42934	14.6
258.28702	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	704.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
60.01703	0.2
61.01799	0.2
61.98830	100.0
62.98540	0.2
70.93175	0.4
71.01394	0.4
72.99366	0.2
87.00889	0.2
89.02437	0.3
100.12369	0.2
101.02480	0.2
113.02450	0.2
115.05557	0.3
117.07105	0.2
161.04771	0.2
161.06126	0.5
162.02727	0.2
183.13969	0.2
187.04053	0.4
189.00754	0.2
205.05182	0.3
209.08292	0.4
209.11844	0.2
211.08766	0.2
542.18860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.35
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91187	0.1
55.79722	0.1
58.03538	0.1
61.98832	100.0
62.98529	0.2
112.35539	0.2
119.05048	0.2
163.04077	0.2
210.54509	0.1
217.00168	0.2
253.13052	0.1
301.62991	0.1
604.34863	0.2
660.98950	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.99234	0.1
70.86128	0.4
83.21150	0.1
88.82769	0.1
99.59305	0.1
119.05099	0.2
154.59067	0.1
163.04039	0.2
176.82799	0.1
336.57584	0.1
412.83197	0.1
423.58026	0.1
445.82297	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	704.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05082	0.3
61.98829	100.0
66.70278	0.3
70.40351	1.0
71.84036	0.3
104.89323	0.3
140.72763	0.2
398.74374	0.3
674.21307	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.35
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08389	0.1
61.98832	100.0
75.00883	0.7
98.19840	0.3
139.16841	0.1
158.78532	0.2
211.13380	0.4
212.11957	0.2
212.13853	0.4
271.94598	0.2
275.37598	0.2
415.51852	0.2
667.74884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
58.93446	1.1
59.01372	9.6
60.42147	1.1
60.87989	1.0
61.98837	12.6
63.02410	1.3
65.00326	6.5
69.03447	2.2
71.01386	6.3
71.04343	1.5
71.04667	2.3
71.98283	1.0
72.99289	2.9
73.02943	1.9
79.01893	1.4
81.03450	4.3
83.01373	7.5
85.02963	2.4
88.98806	1.3
89.02427	3.2
93.03461	12.9
95.01384	2.7
97.02945	6.5
99.04462	1.5
101.02435	4.1
105.03447	1.3
105.33961	1.1
107.01411	6.8
107.05065	1.3
109.02982	1.6
113.02451	3.8
117.03446	2.6
119.05029	59.4
120.05359	2.8
121.02950	7.8
123.00871	1.9
123.04510	3.2
124.01678	1.5
125.02451	29.6
126.02784	1.8
133.02919	3.1
135.00902	1.3
135.04503	2.4
137.02432	7.7
138.47499	1.1
143.05032	7.1
145.02956	8.8
146.03757	1.8
149.02423	6.9
151.00377	24.0
151.04002	2.6
155.03513	3.3
161.02480	1.5
161.04614	1.3
161.06046	5.0
163.00389	7.3
163.04028	3.8
164.01152	6.4
164.04781	1.9
165.01935	15.9
167.03448	5.5
168.00658	1.9
169.02701	1.2
173.04570	1.2
173.88382	1.3
175.04012	3.1
177.01920	6.3
179.03438	4.3
179.07127	3.5
185.06046	3.1
187.03976	9.7
189.01945	1.3
190.99756	1.4
191.03517	3.1
193.01418	31.1
193.05099	1.2
194.01740	1.7
197.04471	1.9
199.07770	1.4
203.03535	1.6
203.07138	2.0
205.01430	3.8
205.05019	2.5
207.02997	2.2
219.02985	4.1
223.02565	6.7
224.02736	1.4
227.07103	4.6
229.05081	1.7
231.02904	1.3
235.24690	1.3
241.08713	1.9
253.05048	4.2
267.06586	1.3
269.08200	1.9
271.06097	25.5
272.06427	3.2
283.06088	4.3
285.04062	2.2
295.06085	2.2
311.05624	2.0
313.07169	100.0
314.07593	7.9
325.07053	4.1
343.08209	45.4
344.08582	5.6
352.06015	1.9
355.08356	2.0
363.08643	1.6
415.10196	3.8
431.07861	1.7
433.11362	26.7
434.11639	3.0
449.08575	2.1
459.10843	4.9
489.11810	2.3
525.11761	8.5
551.12378	2.0
569.12958	3.1
579.15149	3.9
585.14185	19.2
586.14117	3.1
615.14496	5.9
616.15973	1.5
687.17535	2.3
705.18292	57.1
706.18665	14.2
731.13275	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94592	0.6
53.40655	0.6
57.03449	1.7
59.01381	2.1
61.98827	6.7
62.23793	0.7
63.02386	1.1
65.00335	4.7
67.01903	0.8
67.81873	0.6
68.99804	1.4
69.03458	2.0
69.21638	0.6
71.01390	2.3
71.56235	0.7
72.99334	0.8
73.02953	0.7
79.01894	1.4
81.03462	3.5
83.01382	4.8
85.02963	1.1
93.03461	9.2
95.01391	2.1
97.02947	6.0
99.00900	1.1
105.03455	2.0
107.01376	7.5
107.05051	1.8
108.02199	1.0
109.02986	2.7
111.04479	1.0
113.02511	1.7
117.03483	1.4
119.05027	59.1
120.05393	2.7
121.02970	6.9
123.00887	2.8
123.04515	3.3
125.02450	26.2
133.02979	3.1
135.00890	0.9
135.04510	2.3
136.01685	1.6
137.02457	7.6
139.04013	1.2
143.05032	7.1
145.02934	6.5
146.03587	0.7
147.04492	1.2
149.02443	7.4
149.27997	0.6
150.03214	1.0
151.00363	20.5
151.03954	1.9
153.01942	1.3
153.68924	0.7
155.03537	2.5
157.06702	0.9
160.01613	1.1
161.02466	1.8
161.06111	2.1
163.00354	9.2
163.04010	2.8
164.01160	8.3
165.01941	13.4
165.05620	0.8
166.02505	0.7
167.03499	5.1
175.02528	0.6
175.03972	1.7
177.01929	7.3
178.02344	0.9
179.03526	2.9
183.45081	0.6
185.06071	3.7
187.04010	7.4
189.01933	0.8
189.05594	0.8
189.99164	1.1
190.99846	1.2
191.03534	1.9
193.01414	29.7
194.01799	1.4
197.04607	1.4
197.06140	0.8
199.07762	0.9
201.05527	0.7
202.99867	1.5
203.07147	0.8
205.01414	3.5
205.05080	0.8
207.02956	2.9
215.03360	0.7
215.06975	0.6
217.04942	0.9
218.79976	0.7
219.03012	3.9
223.02480	5.8
225.05516	0.8
227.07150	3.5
229.05057	1.7
231.02818	0.8
232.00197	1.0
235.02434	1.1
241.05034	0.6
241.08713	1.3
243.03015	2.1
243.06613	1.1
253.05228	1.5
255.03053	1.0
261.03967	1.2
267.03058	1.0
267.06589	1.1
269.04333	0.7
269.08246	2.4
271.06116	21.9
272.06406	1.9
273.03836	1.1
283.02731	1.1
283.06119	5.7
285.03979	1.5
289.05069	0.7
295.06018	1.0
297.07559	1.1
310.04828	1.0
311.02005	1.6
311.05447	1.3
313.07166	100.0
314.07492	7.9
325.07074	2.9
341.02914	0.8
343.08206	44.3
344.08633	3.7
351.08832	0.7
352.05859	1.9
353.06543	0.8
355.08121	1.2
363.08496	0.9
373.09021	1.0
382.06775	0.8
385.09436	1.2
392.26260	0.7
401.07224	0.8
405.09442	0.8
415.10327	5.2
431.07962	1.0
433.11340	22.8
434.12085	3.2
449.08862	2.1
459.10971	5.7
461.09045	1.1
479.10309	0.9
489.12000	1.6
551.11963	2.1
567.12500	1.2
569.12909	3.5
579.14728	6.0
580.15027	0.9
585.13965	23.3
586.14410	5.0
615.14923	8.1
616.15588	0.9
667.40808	0.8
687.17371	2.5
688.17676	1.4
705.18213	60.4
706.18610	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	705.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62331	0.2
55.01891	0.2
57.03453	0.3
58.00595	0.2
58.70984	0.2
58.93447	0.2
59.01380	9.3
60.01746	0.3
61.73738	0.2
61.98831	1.4
66.51022	0.2
67.01896	0.3
68.55390	0.2
71.01382	12.5
71.33385	0.4
72.99305	1.3
73.02959	0.8
74.34078	0.2
83.01386	0.6
84.91957	0.2
85.02943	1.4
87.00880	26.4
89.02472	0.3
99.00911	0.2
101.02441	0.7
102.61472	0.2
112.98810	0.8
113.02457	0.7
115.00376	41.3
116.00722	0.8
127.00354	0.5
155.71227	0.2
175.02478	100.0
176.02814	3.3
243.01503	0.8
375.72690	0.2
408.41376	0.2
503.25079	0.5
667.39178	1.4
669.40106	0.4
705.26105	0.5
705.37030	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
57.03452	45.5
58.00578	1.0
59.01383	46.3
61.98840	8.0
64.44392	0.9
71.01385	41.0
71.56808	1.1
72.99316	3.0
73.02949	9.2
80.71447	0.8
81.03436	1.9
83.01386	4.7
85.02953	14.6
87.00866	7.6
88.98815	0.8
89.02449	17.8
95.01393	3.7
99.00892	4.2
99.04520	13.6
100.79729	0.9
101.02446	27.8
111.00879	1.2
113.02460	16.6
113.99593	3.3
115.00375	8.8
115.05562	1.3
119.03506	6.7
123.50129	1.0
124.01633	1.3
125.02454	11.0
143.03487	3.0
156.00668	3.7
159.03020	2.6
161.04549	7.0
163.06088	2.0
174.01721	5.4
175.02507	22.3
175.03900	1.0
176.02785	1.1
179.05638	3.3
179.43535	1.0
187.03940	2.2
265.28909	1.0
285.03494	0.9
384.89767	0.9
393.54672	1.0
399.23715	5.3
408.26144	0.9
543.28088	30.9
544.28448	3.7
561.29144	100.0
562.29480	13.3
603.30023	7.4
604.30933	1.6
605.25818	1.3
645.25574	1.7
669.40704	2.0
705.33380	9.4
706.33612	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.8
61.98829	100.0
62.98542	0.3
70.19755	0.8
71.01388	1.9
71.05018	0.5
73.02944	0.3
74.03274	0.2
75.00867	0.3
81.03445	0.2
85.02956	0.5
87.00916	0.3
88.98831	0.5
89.02443	0.4
89.20509	0.2
91.05535	0.4
93.93320	0.2
98.19897	0.2
99.00829	0.2
101.02451	0.6
108.01328	0.2
113.02470	0.7
115.05536	2.1
117.07116	1.1
122.89472	0.2
123.04499	0.3
125.02490	0.3
126.90546	0.9
133.06604	0.9
146.08267	1.3
148.91031	0.3
159.04524	0.3
161.04718	0.3
161.06055	2.6
162.06436	0.3
163.04015	0.5
163.53540	0.2
167.03532	0.2
167.11453	0.2
175.02515	0.8
187.04012	3.8
187.05588	0.3
188.04399	0.5
190.92090	0.8
205.05109	0.3
217.03645	0.2
266.98770	0.2
286.46472	0.2
290.95282	0.5
291.57520	0.2
310.97955	0.5
320.96429	0.3
473.14520	0.4
474.15125	0.3
481.28055	0.3
500.29263	0.2
613.94458	0.2
651.30212	0.2
706.38226	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.1
59.65715	1.0
60.99308	18.7
61.98827	16.0
69.01377	1.0
70.69764	3.1
85.02964	0.9
87.00861	1.1
88.56288	1.0
88.98807	100.0
101.02434	0.9
115.00373	1.1
115.05582	1.3
117.07104	2.9
131.48103	1.1
161.04953	0.9
161.06075	6.2
185.11768	1.4
187.04105	1.8
205.05016	4.4
222.73123	0.9
256.71970	1.0
403.49002	1.0
511.14624	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	9.1
59.01384	10.3
61.98820	4.0
69.03438	1.5
70.72988	4.1
71.01370	6.1
75.00874	1.8
81.03448	3.6
83.01398	11.8
85.02965	3.5
89.02443	4.1
93.03460	22.2
95.01423	1.4
95.05025	5.8
96.96010	12.3
97.02953	26.3
101.02467	2.1
105.03477	1.4
107.05016	4.2
108.02181	1.4
109.02950	10.9
109.31847	1.4
113.02432	2.5
115.85544	1.4
117.03442	3.1
119.05076	7.7
120.02162	3.2
121.02965	3.0
123.04530	11.3
124.01655	2.6
125.02444	61.0
133.02968	9.9
134.03731	5.9
135.04532	21.9
137.02444	100.0
138.02997	3.5
139.03986	3.7
143.05035	4.3
145.02939	2.1
145.06551	3.4
146.03735	1.8
147.04530	2.8
149.02461	15.6
150.03073	1.8
161.02467	3.5
161.06075	4.4
163.00389	7.4
163.03989	7.6
164.01155	39.5
165.01942	15.0
165.05487	1.8
166.02658	4.4
167.03419	2.3
169.06517	3.3
171.04517	4.1
172.01636	1.3
173.06123	2.3
175.03908	7.6
176.01135	4.0
177.01915	11.0
179.03419	2.1
181.06567	1.9
183.08083	1.6
185.06058	8.4
185.15839	1.7
186.72865	1.5
187.03951	4.5
187.07655	11.9
189.05566	10.9
199.03906	3.3
199.07597	2.5
201.01822	1.8
201.05574	2.0
203.03450	1.8
203.07124	4.6
205.01360	1.6
205.08690	7.1
209.06079	3.4
211.04044	2.3
211.07605	5.8
213.05484	2.7
217.05000	3.2
225.05510	2.2
227.03470	2.1
227.07109	3.7
228.04314	5.4
229.04976	4.2
229.08656	10.7
231.02933	1.6
231.06587	4.3
239.06932	1.7
241.04996	2.4
243.02914	2.5
243.06554	3.6
253.05031	41.9
254.05449	4.9
255.02924	2.9
255.06610	25.7
256.03702	2.8
266.05823	2.2
267.06458	3.9
269.08273	1.9
270.05258	2.1
271.06104	53.5
272.06534	4.7
273.07666	92.7
274.08041	9.2
283.06125	2.1
285.03824	1.8
293.08392	3.3
294.05215	4.4
295.05991	8.7
305.08148	2.7
311.09055	2.6
313.07150	1.9
323.09402	3.6
347.09302	2.2
391.08130	5.6
401.10217	6.3
409.09317	7.3
419.11234	7.5
433.11514	14.5
434.20901	1.5
435.12952	87.9
436.13098	8.4
441.13443	3.3
474.11563	2.6
475.11929	2.0
483.14542	7.6
509.12122	5.6
527.13495	35.5
528.13776	4.2
542.04999	1.6
553.13336	5.5
571.14874	7.2
581.16846	11.3
707.19940	22.6
708.20166	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	707.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64528	0.9
54.45023	0.9
55.01868	1.9
57.03432	2.8
58.00589	1.2
59.01109	1.3
59.01382	22.4
60.99309	2.2
61.98835	10.0
68.99801	1.7
69.03456	1.2
71.01381	32.9
72.99305	1.4
73.02956	9.5
81.03459	9.4
83.01373	7.5
85.02956	15.1
85.70221	1.0
87.00852	3.3
88.98808	16.2
89.02450	13.6
93.03469	7.5
95.01381	4.0
95.05025	6.5
97.02944	5.5
99.00864	3.9
99.04538	5.2
101.01798	1.1
101.02449	19.2
108.02150	3.4
109.02940	8.6
111.00826	1.1
111.04508	1.6
113.02452	16.5
115.04005	0.9
119.03527	4.8
119.05033	7.1
121.02946	1.2
123.04536	16.7
125.02448	27.7
131.03470	1.6
133.06621	1.2
135.04495	2.2
137.02438	5.7
137.06068	8.9
139.03992	2.7
143.03477	3.0
147.04526	2.2
149.02386	1.6
149.56213	1.0
151.00302	1.3
151.03998	1.4
155.03490	2.2
159.02997	2.2
161.02448	1.0
161.04529	12.3
161.06030	2.8
163.00316	1.0
163.04039	1.9
163.06187	1.1
164.01080	1.4
165.01987	1.5
165.05557	5.7
166.02711	1.0
167.03493	55.3
177.01860	2.6
177.05530	2.0
179.03513	10.6
179.05629	1.7
179.07086	2.2
181.05023	1.7
187.03961	5.1
189.05579	3.7
191.03502	1.0
193.05054	2.9
195.06586	0.9
197.04550	7.6
205.05090	1.2
205.07088	1.0
209.04564	14.5
210.04799	1.0
221.04558	2.4
231.06454	1.0
239.05659	1.6
260.08322	0.9
271.08405	4.2
273.07623	15.5
274.07874	1.6
285.07596	3.6
299.09082	1.3
315.08740	100.0
316.09052	7.2
327.08746	4.0
331.17538	3.8
339.07208	19.1
340.07312	1.3
345.09781	62.3
346.10120	6.5
351.42432	0.9
357.09943	1.4
358.74313	0.9
367.12231	1.5
399.11548	0.8
399.16547	17.5
399.22360	1.1
399.24133	1.5
400.17035	1.2
404.52234	1.0
417.11911	8.0
435.13010	6.7
461.12531	1.7
527.28931	1.1
543.27985	1.5
545.29974	1.4
561.29089	14.3
562.29517	2.0
569.14960	1.0
587.15625	11.5
588.15875	3.0
593.59186	0.9
617.16504	5.2
665.95203	1.0
671.25464	4.9
707.20520	4.1
707.34924	31.6
708.35181	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	707.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
57.03442	0.7
59.01377	100.0
60.01705	0.6
60.77916	0.4
63.95525	0.4
69.76283	0.3
69.97230	1.9
71.01379	8.5
73.02937	3.5
73.42965	0.4
83.01409	2.0
85.02943	5.3
89.02444	2.2
95.01375	0.5
97.02967	0.6
99.00887	1.7
101.02441	10.4
101.03090	0.7
113.02467	3.8
119.03556	0.5
125.02449	1.4
137.02426	1.0
138.06917	0.6
143.03520	0.7
152.08446	0.8
153.09193	2.4
159.02988	1.2
161.04573	3.9
162.04993	0.4
164.01189	0.4
165.01685	0.4
165.05559	0.4
179.05742	0.5
205.12233	0.8
223.13379	0.7
235.11848	18.4
236.12331	1.1
253.05067	0.4
256.55695	0.4
267.06543	0.5
271.06125	0.6
277.12900	9.4
278.13400	0.6
369.13623	1.1
381.13351	2.8
385.18613	2.2
435.12891	0.7
460.81158	0.4
475.35895	0.4
707.18256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.7
57.03442	3.8
58.00593	3.1
59.01379	72.2
60.16413	0.5
61.98829	6.2
67.01880	0.7
68.99780	0.8
69.03448	2.2
71.01380	65.2
72.01714	1.2
72.99315	4.1
73.02543	1.2
73.02942	20.3
75.00877	1.4
81.03449	1.9
83.01382	8.5
85.02952	32.5
86.00095	1.7
87.00872	10.7
87.04514	3.7
88.98792	2.4
89.02443	31.9
93.03427	1.2
95.01383	5.1
95.05038	1.2
97.02953	2.3
98.19933	1.6
99.00884	5.0
99.04511	1.9
101.02443	41.4
103.04010	4.3
108.02184	1.0
109.02943	1.9
111.00876	4.2
113.02447	25.5
115.04002	4.2
119.03503	14.4
119.04993	1.2
123.04533	3.7
125.02450	7.7
129.01924	2.8
131.03490	6.0
137.02446	1.5
137.06012	1.3
143.03494	10.2
145.02925	0.8
145.05077	1.8
151.03957	1.1
159.02974	2.2
161.04579	7.8
161.05954	1.3
163.04031	1.0
163.06131	12.2
164.56982	0.6
165.05568	1.9
167.03491	9.1
179.03506	1.9
179.05602	2.8
187.03954	1.2
187.69594	0.6
197.04587	1.1
205.07175	11.2
206.07498	0.6
209.04521	2.7
221.04509	1.0
229.56705	0.8
247.08220	4.0
261.74542	0.7
271.08243	1.0
273.07681	4.1
274.07471	0.8
284.03207	0.9
285.07565	1.0
315.08734	21.3
316.09048	1.8
332.68530	0.8
338.04654	0.7
339.07275	3.4
339.10846	0.7
340.07645	0.6
345.09769	14.9
345.16531	0.8
346.10028	1.4
399.16672	3.1
399.23856	7.8
400.24307	0.8
417.11774	2.5
435.12915	0.8
527.28546	1.4
543.28021	3.1
545.29608	8.3
546.29926	1.4
561.29132	50.3
562.29468	9.1
587.15436	2.5
588.16101	1.0
617.16687	1.0
707.34912	100.0
708.35211	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	707.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
57.03431	3.2
59.01105	1.3
59.01378	19.4
61.98831	100.0
62.63008	0.8
69.03445	1.5
71.01385	21.6
72.99307	5.2
73.02941	3.7
75.00874	11.9
83.01385	3.4
85.02446	1.2
85.02952	17.2
87.00879	5.8
88.98788	1.4
89.02449	5.4
95.01409	5.6
98.20644	2.5
99.00878	7.1
101.02477	5.5
103.00363	1.3
108.79905	0.8
111.00866	1.4
113.02457	17.3
115.00341	1.7
115.05535	7.4
117.01917	1.5
117.07091	2.7
123.00835	1.1
123.04487	1.1
125.02438	1.2
128.07727	1.1
129.01897	1.1
131.03481	1.0
133.06572	3.1
143.03447	1.2
143.05054	1.2
157.01440	1.3
161.06091	5.5
163.03981	1.2
165.17763	0.8
175.02557	1.3
187.04016	10.0
205.05084	1.4
237.18555	2.6
249.06172	4.9
267.07144	1.4
277.21689	2.4
295.22766	11.9
296.23367	1.1
354.55786	1.0
439.27066	1.7
457.28107	12.6
458.28769	1.3
473.14911	1.3
482.20380	0.8
539.30005	1.0
689.34265	1.6
707.34894	88.5
708.35364	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	707.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.3
57.03449	5.3
58.00584	3.3
59.01380	70.6
61.98835	19.4
68.99809	1.5
69.03483	1.6
71.01382	71.5
72.01736	1.5
72.99303	5.5
73.02946	22.2
73.07754	1.1
73.84050	1.0
81.03445	2.9
83.01393	13.3
85.02954	38.6
86.00125	1.4
87.00883	7.9
87.04475	1.2
88.98796	3.0
89.02448	31.9
93.03458	3.1
95.01387	8.3
95.05028	3.4
97.02940	4.3
99.00877	9.8
99.04512	1.3
100.80124	1.0
101.02442	44.5
102.02761	1.1
103.04023	1.8
108.02176	3.0
109.02954	10.0
111.00901	5.4
113.02446	30.9
113.61587	0.9
115.04014	1.9
115.86460	1.1
119.03495	11.4
119.05021	2.8
123.00909	1.1
123.04537	6.3
125.02454	11.0
129.01918	3.0
131.03493	2.5
135.04536	1.6
137.02412	3.0
137.06061	3.6
139.03989	1.8
141.01898	1.2
143.03529	5.4
149.06047	1.5
151.03972	1.3
156.23900	1.0
159.02986	4.3
161.04568	21.1
163.06139	2.5
165.05554	3.6
167.03496	16.5
179.03455	3.6
179.05606	2.7
193.05069	2.1
197.04614	1.7
205.07161	2.3
209.04567	4.0
221.04439	1.2
225.46759	1.1
271.08334	5.8
273.07697	4.7
315.08737	31.1
316.09061	4.3
319.42001	1.0
331.17743	5.0
339.07227	21.3
340.07553	2.1
345.09750	20.7
346.10181	2.0
399.16510	18.9
399.23880	6.8
400.16873	3.0
435.12979	1.4
481.48318	1.1
527.28754	1.4
543.28137	5.5
545.29523	3.9
561.29144	51.3
562.29553	10.4
587.15717	3.9
617.16846	2.3
621.67859	1.3
671.25299	3.7
672.25305	1.2
707.34943	100.0
708.35370	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	44.5
61.65394	1.8
61.98832	97.2
71.01377	30.6
71.55524	2.8
72.99304	3.2
73.02943	6.5
74.84095	1.6
83.01381	5.9
85.02966	13.8
87.00880	5.2
87.75359	1.6
89.02448	12.8
95.01415	3.5
97.02950	1.8
99.00789	1.7
101.02457	16.0
104.11514	1.6
113.02442	13.9
115.05534	16.5
116.05875	1.9
117.03441	1.8
117.07084	6.7
117.27013	1.6
119.03519	4.6
123.04511	3.1
125.02436	4.5
125.75933	1.8
133.06581	7.8
143.03482	3.1
143.04956	2.0
145.02914	4.3
161.04698	3.2
161.06078	14.2
163.03957	5.3
169.07076	1.8
179.05627	2.3
185.11848	1.8
186.07005	1.6
187.03987	25.1
188.04320	2.4
205.05066	3.8
256.07300	2.2
307.26550	2.9
309.20792	5.3
323.25827	2.9
325.27396	11.2
341.26846	3.0
469.31662	2.4
473.14001	3.3
485.31033	3.8
487.32797	5.9
503.32297	4.0
612.25580	3.6
647.36475	100.0
648.36871	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	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03893	0.3
59.01377	3.2
61.98835	2.2
65.48764	0.3
68.87905	0.2
69.03455	0.4
70.71694	0.2
71.01380	2.4
71.55534	0.3
71.55922	0.4
73.02932	0.4
83.01397	0.6
83.05022	0.5
89.02444	2.0
90.72398	0.3
101.02448	1.9
101.48808	0.3
109.60962	0.3
113.02444	1.2
114.44814	0.3
116.92883	0.7
119.03518	0.5
145.05190	0.3
156.14478	0.3
161.04570	0.7
165.12798	0.3
167.10791	0.4
167.14398	0.6
179.05588	0.4
183.13904	6.4
184.14262	0.3
191.99550	0.3
193.12282	1.5
194.12733	0.3
211.13388	100.0
212.13721	6.0
235.08194	1.6
253.09290	7.3
277.21716	50.9
278.22076	5.3
279.23199	1.1
323.11044	0.3
429.21295	0.4
432.06110	0.3
447.22336	3.3
448.22794	0.7
522.52271	0.3
595.71930	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44804	0.1
55.07959	0.2
59.01380	3.1
60.63949	0.2
61.98822	0.2
69.03477	0.3
70.11449	0.3
70.11836	0.3
71.01384	2.5
72.99271	0.2
73.02947	0.5
80.78672	0.1
83.01398	0.4
83.05028	0.3
85.02950	0.4
87.00872	0.5
89.02439	2.0
95.01403	0.2
95.59633	0.2
101.02448	2.0
113.02428	1.1
119.03513	0.6
133.05046	0.2
143.03496	0.2
145.05042	0.3
155.10837	0.2
161.04570	0.8
165.12830	0.3
167.10867	0.3
167.14415	0.7
176.35896	0.1
179.05603	0.6
181.12299	0.2
183.13913	6.5
184.14243	0.3
193.12367	1.6
211.13396	100.0
212.13731	6.4
235.08224	1.7
253.09286	6.7
253.11328	0.1
254.09717	0.4
259.20645	0.2
275.20004	0.2
277.21722	57.9
278.22055	5.8
279.23450	0.2
335.49869	0.2
421.01321	0.1
429.21283	0.5
447.16589	0.3
447.22388	3.9
448.22723	0.3
707.43665	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14717	0.3
59.01373	3.8
60.17110	0.3
61.98842	0.7
69.03470	0.6
69.23892	2.8
71.01376	2.5
73.02939	0.7
83.01355	0.3
83.05035	0.5
85.02939	0.6
87.00880	0.6
89.02441	2.1
95.01380	0.3
101.02435	2.2
101.02935	0.2
113.02461	1.1
119.03542	0.5
120.86740	0.3
142.93414	0.3
161.04593	1.0
164.37953	0.3
165.12924	0.3
167.10739	0.3
167.14439	0.9
179.05502	0.4
183.13901	6.4
183.61842	0.3
184.14223	0.4
193.12378	1.5
202.37410	0.3
211.13387	100.0
212.13716	6.4
235.08253	2.4
249.53804	0.3
253.09282	8.0
254.09583	0.5
277.21710	64.0
278.22067	6.0
293.94739	0.3
429.21332	0.8
434.94910	0.3
447.22308	3.0
448.22684	0.5
560.02667	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
58.00614	0.2
59.01378	3.2
59.51705	0.2
61.98832	0.3
68.44635	0.2
69.03478	0.3
70.78067	0.4
70.78468	0.5
71.01381	2.8
73.02965	0.4
83.01391	0.3
83.05022	0.4
85.02946	0.8
87.00883	0.7
89.02443	1.8
95.01424	0.3
97.28822	0.2
101.02445	2.6
113.02430	1.0
119.03484	0.6
161.04584	1.1
167.14392	0.6
179.05634	0.5
181.12344	0.2
183.13887	5.9
193.12285	1.6
194.12544	0.2
195.54620	0.2
211.13387	100.0
212.13736	6.1
235.08220	3.1
253.09288	7.7
254.09641	0.4
277.21710	71.3
278.22061	6.2
279.23264	1.0
409.67133	0.3
415.62674	0.2
429.21280	0.7
447.22281	3.3
448.22424	0.2
513.31012	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12749	0.1
57.03469	0.1
59.01380	0.9
61.98832	100.0
62.98536	0.2
71.01385	0.3
71.72118	0.1
75.00916	0.1
77.46533	0.1
83.01413	0.1
85.02964	0.2
89.02434	0.2
91.05544	0.3
94.28874	0.1
101.02470	0.3
113.02456	0.3
115.05565	0.8
116.05840	0.1
117.07114	0.5
119.99838	0.1
123.04528	0.1
129.71062	0.1
133.06607	0.5
143.03548	0.1
161.04744	0.2
161.06052	1.1
162.06387	0.1
163.04036	0.2
187.04018	1.4
188.04381	0.2
258.30356	0.1
272.42844	0.1
376.18878	0.1
409.09818	0.1
440.33823	0.1
473.14847	0.2
487.34268	0.2
530.18915	0.1
649.39709	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	708.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32604	0.1
59.01384	0.9
61.98829	100.0
63.61255	0.1
68.81441	0.1
70.87436	0.1
71.01381	0.5
72.99333	0.1
73.02956	0.2
80.09307	0.1
83.01416	0.2
85.02935	0.1
87.00912	0.1
89.02447	0.4
94.71117	0.1
99.00922	0.2
101.02466	0.4
113.02440	0.2
115.05550	0.2
125.02448	0.3
143.75911	0.1
161.04645	0.3
161.06032	0.2
187.04034	0.4
295.06128	0.2
337.35446	0.1
440.29108	0.2
505.35968	0.1
628.26001	0.1
649.38556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68903	0.4
51.17312	0.4
53.52930	0.4
54.84671	0.4
57.03450	0.6
59.01373	4.1
59.96817	0.4
60.99314	0.5
61.98831	11.1
70.26942	0.5
71.01376	2.4
71.10966	0.7
83.01413	0.5
85.02971	1.2
87.00858	0.7
88.98813	2.8
89.02440	2.2
89.03979	0.4
96.96055	0.5
100.04544	0.5
101.02454	1.3
101.88800	0.4
107.05022	0.7
109.02953	0.6
113.02460	1.2
114.93433	2.2
115.00314	0.5
116.92855	1.1
117.03504	0.6
119.03476	0.5
121.03014	0.6
123.04558	0.9
125.02458	1.3
132.02190	1.6
133.02966	25.2
134.03723	1.9
135.04532	39.7
136.04800	2.1
137.02393	0.6
148.05299	0.6
149.02457	0.9
149.06079	1.7
160.01628	0.9
161.02448	100.0
162.02756	4.1
164.04794	0.5
175.00351	0.6
175.02507	0.6
175.03943	1.3
176.01187	0.8
177.05531	2.3
179.03500	84.5
180.03864	4.8
190.02722	1.8
191.03493	0.8
191.05589	1.3
193.05074	0.9
200.84930	0.5
203.03519	2.6
205.05064	1.4
221.04562	2.4
223.06139	0.6
253.05093	0.9
281.06598	1.4
337.09204	1.1
341.08752	38.0
342.09198	3.7
367.10165	2.0
503.13776	0.5
547.14557	11.8
548.14557	1.9
598.03619	0.5
709.20361	1.4
710.19781	0.6
736.61902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	14.9
59.01379	49.7
61.57535	1.8
61.98829	12.7
69.24963	16.9
71.01382	34.5
72.99291	3.0
83.01394	2.6
85.02972	8.2
88.98787	2.1
89.01925	3.0
89.02446	43.4
91.05536	14.2
93.03444	1.9
95.01372	3.7
96.96011	34.7
98.85699	1.6
98.95598	22.1
98.96260	2.9
98.96365	2.3
99.04528	13.5
100.61456	1.7
101.02444	21.5
108.02161	3.0
113.02449	15.8
115.05535	44.0
116.05841	2.4
116.92834	2.5
117.03472	2.7
117.06364	2.0
117.07112	23.7
119.01391	2.0
119.02930	1.5
119.03512	17.6
121.02906	3.6
123.00896	5.7
123.04509	1.8
125.02454	9.2
131.03473	2.2
133.06570	7.3
135.04515	4.4
138.03152	4.8
143.03482	4.0
143.05099	3.8
145.02940	3.1
146.03717	3.2
147.08380	1.7
149.02405	7.3
150.03131	2.1
151.00351	2.2
152.01048	2.1
153.05537	5.0
161.02434	2.2
161.04558	10.3
161.06056	47.3
162.03316	2.0
162.06374	3.5
163.04007	12.4
164.04842	9.7
165.01875	3.4
168.04323	1.7
175.00377	18.1
175.01926	2.1
175.02406	2.1
176.00958	2.2
177.05496	2.3
178.02666	2.1
179.05632	58.2
179.07104	8.8
187.04008	100.0
188.04315	7.1
188.41705	1.7
190.02713	44.9
191.03358	4.8
191.05560	1.7
192.04259	3.3
192.37852	1.6
193.01480	4.4
193.05028	4.1
205.05060	62.7
206.05513	3.0
207.06557	3.6
208.03770	5.3
209.04492	3.0
223.06107	20.0
247.06154	2.0
284.03351	1.9
287.09244	2.7
305.08725	3.2
367.10303	51.4
368.10715	3.8
373.13025	3.0
385.12912	3.2
403.13937	29.9
404.14182	3.5
434.72302	2.3
709.23431	44.5
710.23541	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	709.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07978	0.9
55.01873	1.4
57.03434	1.4
59.01382	31.0
61.98832	100.0
64.67123	0.8
67.01875	1.4
69.03464	3.2
71.01384	38.2
71.56834	0.9
72.99302	1.9
73.02942	9.7
81.03471	1.3
83.01387	13.7
83.05010	1.0
85.02950	14.7
87.00868	2.4
88.98801	3.1
89.02457	7.6
93.03471	1.9
95.01390	23.6
97.02948	1.9
99.00861	5.7
101.02449	20.5
103.04033	1.2
108.02176	7.9
109.02943	3.9
111.00885	5.7
113.01710	1.5
113.02455	20.9
116.92870	2.1
119.03474	2.7
121.02959	1.0
123.04536	5.3
125.02464	6.9
127.00380	8.4
129.01889	1.2
129.27295	1.0
129.28192	0.8
131.03471	1.0
137.02501	0.8
139.00374	19.0
143.03488	2.7
150.03166	1.0
151.00432	1.0
151.04053	1.0
152.01164	6.7
153.01926	5.6
153.05598	1.0
157.01442	2.9
159.03008	2.5
161.04585	11.3
161.05922	1.4
163.03960	1.7
163.58321	0.9
165.01953	1.0
165.05589	1.7
169.01430	3.9
175.02527	1.0
175.92633	1.0
177.01956	3.7
178.06310	1.3
179.05592	1.3
179.07007	0.8
180.04333	1.4
187.02472	1.0
187.04021	1.6
193.08679	1.5
195.06657	2.1
229.03484	1.7
247.04759	1.3
285.04025	1.8
315.07251	11.5
315.18008	4.4
339.07135	6.1
357.12057	1.2
383.06137	4.1
461.23932	30.6
462.24423	4.1
463.25516	3.0
501.30801	1.3
503.24927	7.4
529.70795	1.0
571.23938	28.4
572.24225	3.8
593.15533	2.2
601.25110	15.8
602.25134	2.9
649.37964	1.5
709.36041	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.9
55.01885	2.3
57.03437	1.6
58.00594	1.1
59.01378	25.0
61.98830	100.0
67.01882	1.2
69.03467	3.3
71.01379	33.7
72.99308	1.2
73.02951	10.7
75.00888	1.3
81.03478	1.2
83.01380	13.7
85.02953	13.8
87.00890	1.9
89.02444	8.1
95.01384	29.2
96.96011	3.4
97.02956	2.2
98.95586	1.9
99.00883	5.5
99.59015	1.0
101.02444	19.6
111.00887	6.6
113.02447	25.5
119.03492	2.3
125.02452	5.4
127.00362	7.7
131.03494	1.1
139.00386	19.3
143.03488	2.5
145.03026	0.9
148.05338	1.0
153.05568	2.1
157.01436	4.1
159.02983	2.6
161.04578	10.6
169.01497	4.2
189.88785	0.9
210.93886	1.0
211.02466	1.0
229.03397	2.1
247.04607	1.3
273.02869	0.9
315.18195	3.6
337.84659	1.0
461.23911	34.4
462.23883	4.9
503.24976	8.9
504.24957	1.0
571.23895	32.2
572.24335	5.7
601.24908	19.5
602.25476	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	709.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76123	12.3
59.01390	59.4
60.08534	11.9
61.98831	100.0
77.09352	11.4
103.97269	11.8
137.87166	11.9
211.13303	56.1
229.19136	11.4
279.23328	60.2
350.41150	12.4
355.40164	11.8
400.45547	15.5
561.68542	15.6
683.92212	14.3
709.36151	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	710.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
61.98830	100.0
62.30848	0.1
67.15201	0.1
69.76525	0.5
69.76950	0.2
71.01406	0.6
73.02934	0.3
85.02991	0.2
89.02467	0.2
98.19876	0.2
101.02477	0.6
113.02445	0.4
115.05561	0.2
129.95462	0.1
161.04584	0.1
174.03456	0.1
187.04068	0.5
447.47647	0.1
524.75269	0.1
610.21887	0.2
627.44843	0.1
650.38324	0.2
651.40485	0.4
710.41101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96626	0.5
53.83176	0.5
55.14030	0.5
56.48244	0.5
61.98829	100.0
70.19730	2.0
98.19913	0.6
147.32253	0.5
152.45866	0.5
279.23355	1.3
280.23557	0.7
343.62473	0.5
370.61343	0.5
416.78513	0.6
603.49115	0.7
620.78180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
58.12314	0.5
59.01382	100.0
60.01701	0.8
61.98832	61.4
69.49220	3.5
71.01389	8.9
73.02955	3.9
83.01405	1.9
85.02946	5.3
87.00881	0.6
89.02463	0.9
93.21679	0.5
95.01409	0.9
98.20643	1.1
99.00895	1.1
101.02448	7.9
103.54213	0.5
110.60052	0.5
111.00896	0.6
113.02424	4.1
123.04597	0.5
136.01730	0.7
137.02481	1.1
141.18906	0.5
150.03229	1.0
151.04047	1.1
159.03033	0.6
159.04565	0.8
161.04591	4.2
163.07603	0.5
164.01230	1.5
165.01918	0.5
177.05582	1.9
180.04250	0.5
191.07217	1.1
195.06636	0.6
203.03525	1.9
253.05057	2.6
256.07440	0.6
269.10330	11.5
269.13089	0.9
270.10748	0.9
271.06088	3.3
271.09637	0.8
311.11441	4.3
369.13507	2.0
433.12042	0.9
537.87360	0.6
591.17303	0.6
656.47241	0.6
711.20978	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	8.7
59.01375	6.9
61.98834	12.1
67.01900	1.0
71.01376	4.9
71.29349	1.0
72.99311	1.2
73.02953	2.1
83.01412	2.2
85.02956	1.8
87.00878	2.5
89.02441	2.5
93.03453	2.4
99.00872	5.2
99.04533	6.5
99.92588	8.7
100.01676	1.5
101.02442	5.1
111.00877	4.4
113.02464	1.5
113.99597	20.8
115.00388	9.6
116.92871	76.7
117.92899	5.3
121.02981	0.9
122.03772	0.8
125.02447	7.4
129.01956	1.3
133.03003	3.3
134.03706	1.0
135.04503	4.0
136.04886	1.9
137.02481	2.0
148.63060	0.9
149.02463	4.0
149.06090	1.5
150.03230	5.9
156.00656	36.4
157.01343	3.5
161.02489	13.3
161.04561	1.2
162.02814	3.4
163.02914	1.3
163.06238	1.0
164.04807	1.0
165.05560	6.7
174.01704	100.0
175.02481	10.6
175.03975	1.6
179.03506	9.1
180.03888	2.6
181.03804	1.1
181.05209	1.2
194.05864	3.9
195.06622	8.7
205.07185	1.3
209.08200	4.1
216.68195	0.9
226.06305	5.4
227.06805	1.0
241.08719	11.7
242.08955	1.0
247.08202	1.2
253.04892	1.3
339.12173	1.7
341.08740	1.6
342.09048	1.1
343.09717	1.3
357.13626	4.0
405.15497	3.8
417.15829	1.6
429.21613	1.0
487.12344	1.7
545.26154	1.2
549.20544	7.2
550.19989	1.2
557.26086	5.1
575.27203	7.7
585.29150	1.7
615.26691	19.0
616.26703	4.7
657.27637	5.0
675.28381	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	711.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.8
61.98815	10.0
69.32516	50.9
71.01385	13.3
87.00900	9.8
89.02438	18.4
101.02438	15.1
106.72389	5.1
113.02456	8.0
114.83163	6.3
155.42397	5.4
167.13623	5.1
179.05638	5.5
182.62196	5.6
190.63713	5.6
277.21698	56.0
317.77982	5.3
397.13464	100.0
398.13522	8.0
415.14630	29.0
675.35748	7.0
711.33801	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.2
59.01379	29.4
61.98820	7.8
68.99569	13.5
69.03441	2.2
69.35274	7.9
71.00996	1.7
71.01381	24.0
72.99315	2.5
73.02941	4.3
81.03415	1.0
81.38680	1.0
83.01381	3.7
85.02956	5.6
87.00895	5.9
89.01924	1.8
89.02449	28.0
95.01384	2.3
96.95992	1.3
97.02937	3.0
97.87423	0.9
99.00852	2.0
101.02441	19.7
112.98571	11.7
113.02444	9.4
116.92836	1.3
119.03516	6.2
119.05019	1.1
125.02438	10.3
131.03481	1.2
143.03499	4.3
161.04523	4.5
179.05585	5.3
180.70038	1.1
197.57007	1.1
221.06639	1.9
235.08228	11.4
253.09380	1.4
253.21732	61.3
254.22099	4.9
277.21713	15.9
278.22113	1.4
287.07584	2.3
305.08783	4.8
323.09753	1.7
397.13483	100.0
398.13922	11.4
415.14603	27.7
416.14783	3.3
651.35754	2.8
711.33612	12.4
712.34601	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	712.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65856	1.3
52.73948	1.3
55.01880	1.5
57.03455	1.5
59.01379	24.7
60.88692	1.3
60.99301	9.9
61.98830	100.0
69.03480	1.3
71.01383	15.7
72.99332	3.4
73.02941	1.5
80.05056	7.8
83.01389	2.2
85.02956	5.3
88.98809	50.6
89.02430	8.5
89.99158	3.4
95.01393	2.3
97.02992	1.9
99.00880	1.4
101.02441	10.4
106.06627	34.7
107.01357	2.2
109.02896	1.8
113.02459	6.4
119.03539	2.0
123.04500	2.4
129.45476	1.4
132.04550	3.2
134.06131	5.0
135.00900	4.4
137.02448	2.2
140.22702	1.4
146.06076	1.3
150.05603	1.7
151.04036	1.5
151.22720	1.4
152.07188	4.7
153.01932	4.4
160.04074	3.5
160.07721	1.9
161.04587	4.8
161.05994	1.5
164.07167	1.9
166.02730	2.5
167.03488	20.6
174.05638	1.8
178.05128	3.2
183.09160	1.9
186.05635	1.9
187.04007	4.5
188.03532	2.3
190.05118	1.5
201.10251	2.6
211.08737	5.8
213.10333	5.5
220.06021	1.5
221.10783	1.7
223.08760	18.6
224.09225	2.5
225.10307	4.1
226.07445	1.8
227.08250	3.3
229.03636	2.2
233.10890	2.0
235.08757	2.6
236.09576	3.3
237.06720	2.0
237.10307	16.5
238.08730	2.3
239.08293	2.8
239.11893	3.3
241.09814	8.4
241.13396	2.6
243.07678	1.8
249.06590	1.8
249.10315	11.2
250.07474	6.5
251.08235	21.3
251.11880	21.0
253.06024	1.9
253.09810	6.0
255.11409	7.1
261.10278	10.3
263.08237	11.6
264.09018	24.3
265.09570	3.4
267.07660	4.4
267.11115	2.4
268.08490	16.2
269.09213	8.6
277.09787	13.9
278.10468	3.5
279.11371	80.2
280.11710	7.8
281.09314	12.8
282.09854	3.2
283.10812	5.6
285.12430	10.7
293.09326	3.8
293.12595	1.5
295.10849	3.0
297.06161	5.3
297.12369	9.9
301.11942	2.0
304.14374	1.5
305.09283	10.6
311.14050	9.2
322.09424	1.7
323.10364	19.9
329.08560	2.5
334.15656	2.9
337.11880	3.6
341.11435	2.3
351.13513	1.7
355.13004	6.5
356.13718	2.1
370.15393	2.4
383.17145	2.7
384.13531	4.3
388.16586	2.9
394.15680	2.3
397.07742	6.2
397.12994	1.6
402.14395	3.8
410.15289	1.8
412.16614	21.2
413.16895	2.5
414.14389	2.1
415.15231	1.8
416.16144	2.9
430.17569	9.3
434.17029	2.1
438.14655	4.4
444.19437	4.2
456.15634	40.7
457.15970	5.4
470.17117	6.2
474.16788	13.1
475.16815	2.4
482.13437	2.3
488.18243	63.7
489.18527	10.1
498.16852	2.4
500.14569	13.3
506.19290	11.7
515.16260	1.8
518.15564	2.6
530.19324	2.2
532.17230	34.0
533.17535	6.5
550.18353	46.3
550.26715	3.2
551.18591	6.3
560.16730	3.5
592.19354	2.3
593.92328	1.6
649.36865	1.6
652.39886	2.1
662.19916	1.8
694.22400	10.1
695.23419	2.0
712.23615	40.8
713.24225	8.3
713.35455	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	712.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.2
57.19405	0.1
59.01371	0.9
61.98832	100.0
62.76209	0.1
69.18864	1.4
71.01399	0.5
75.84674	0.1
82.51778	0.1
85.02967	0.1
89.02473	0.8
89.02962	0.1
101.02471	0.6
108.22633	0.1
110.59326	0.2
116.92902	0.2
118.41393	0.1
119.03526	0.4
121.02995	0.2
150.03223	0.3
151.04016	0.2
160.01704	0.2
161.04588	0.2
163.06181	0.2
165.01939	0.2
165.05609	0.3
175.03984	0.2
179.05608	0.4
195.06688	0.3
225.07890	0.1
235.65202	0.1
280.35300	0.1
337.09424	0.3
371.14944	0.2
551.21844	0.2
559.28357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.5363
Annotation	Pinelloside
Peak:m/z	Relative Intensity
57.03435	2.2
58.00594	3.9
59.01381	100.0
61.98835	3.2
71.01385	70.7
71.09389	4.2
72.99311	7.4
81.87468	1.7
83.01398	4.6
85.02940	13.5
87.00892	3.3
89.02439	81.4
95.01397	5.3
99.77487	2.0
101.02444	44.3
102.02784	2.3
102.73975	1.6
111.97299	1.8
113.02453	30.5
119.03504	49.4
131.03534	3.9
143.03497	7.4
149.04559	5.1
161.04521	5.2
179.05618	15.5
225.22229	14.5
253.21606	2.5
255.23129	2.3
265.05396	1.7
271.22800	6.8
278.25015	5.1
296.25888	4.3
317.08185	2.0
410.13538	1.8
447.16971	2.0
532.47339	51.6
533.47430	8.9
550.48560	23.5
551.48810	7.2
712.53552	50.7
713.53815	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	713.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69785	0.7
54.26588	0.8
54.69751	0.7
59.01368	3.5
60.99308	1.0
61.98820	4.9
62.74457	0.7
69.65237	1.6
69.65643	3.5
71.01373	3.5
77.49163	0.7
79.14712	0.8
82.67365	0.7
85.02928	2.2
88.98797	2.5
89.02430	1.0
93.88095	0.8
101.02427	1.7
103.68521	0.8
108.02132	1.7
109.02914	1.2
112.13319	0.7
112.41526	0.7
113.02436	1.3
115.21140	0.9
117.03461	1.7
121.02956	4.1
122.03791	3.9
132.02168	17.6
133.02911	3.4
134.03748	25.5
135.04431	2.7
136.01643	1.6
137.02466	1.0
139.03975	1.5
145.02898	1.6
146.03740	33.5
147.04408	2.5
149.02435	17.1
149.05052	0.8
149.06041	5.0
149.07817	0.9
150.03217	23.2
151.03929	2.4
160.01659	76.7
161.01958	4.5
161.06052	9.5
162.03244	0.8
163.03976	2.0
164.04785	23.9
165.05576	23.4
166.05923	1.2
174.03238	0.8
175.03996	90.9
176.04343	6.6
178.02705	1.0
179.03520	1.6
179.07135	25.4
180.04214	1.8
180.07440	1.0
188.24115	0.8
193.03334	1.5
193.05055	22.9
194.05322	1.2
194.66997	0.9
195.06628	8.3
211.46968	0.7
216.37083	0.8
217.04939	1.7
241.04781	0.8
242.19756	0.8
257.31458	0.8
283.02478	0.9
312.10010	5.1
313.10693	1.1
315.28098	0.8
327.12375	11.1
328.12805	1.6
337.09290	100.0
338.09637	8.4
375.14380	1.0
506.13553	0.8
533.16669	40.6
534.16949	7.0
713.24548	19.5
714.24951	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	713.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04993	0.4
59.01380	0.7
61.98826	6.8
89.03951	2.1
93.03487	0.8
105.03448	1.0
106.04235	1.0
116.70385	0.4
117.03458	5.6
119.05071	3.0
121.02951	2.6
122.03753	0.5
126.65736	0.4
132.02184	8.5
133.02969	14.5
134.03745	73.2
135.04541	27.3
136.01701	0.7
136.04866	1.2
137.02437	6.7
139.04034	2.6
141.52916	0.4
145.03004	0.6
147.04510	3.7
148.05305	2.3
149.06096	6.4
150.03206	0.7
150.06291	0.5
153.05499	0.4
160.01659	24.2
161.02454	16.5
161.06070	0.6
162.02873	0.7
162.07007	0.5
163.03986	1.2
165.05453	0.6
173.06119	0.5
175.03992	20.3
176.04370	0.8
178.02710	7.5
179.03503	16.7
180.03940	0.9
181.34799	0.4
185.11646	0.5
191.03593	0.6
193.05049	28.2
194.05389	1.5
207.06622	3.9
219.06541	0.9
249.07672	0.7
369.13446	1.4
383.14777	2.3
443.63715	0.5
468.17224	0.5
505.18622	1.6
519.20422	1.8
537.21252	3.2
698.23486	1.1
713.26007	100.0
714.26343	22.7
714.39478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
61.98836	2.9
70.00148	0.5
74.66987	0.4
89.03953	2.3
93.03455	0.9
105.03408	1.1
107.05048	0.9
109.02948	0.8
117.03468	6.2
119.05018	3.2
121.02943	3.0
132.02174	10.1
133.02959	13.5
133.06572	0.8
134.03741	80.4
135.04547	30.3
136.01541	0.6
136.04854	1.7
136.06030	0.5
137.02446	8.6
137.67181	0.5
139.04008	2.1
145.02875	0.5
147.04559	3.2
148.05284	2.4
149.06093	6.6
150.03300	0.9
153.05516	0.5
156.51537	0.5
160.01648	23.5
161.02435	16.2
161.06056	0.7
162.02948	0.6
165.05540	1.1
173.06050	0.7
175.03990	18.7
175.07643	0.6
176.04422	0.9
177.01894	0.8
178.02728	6.2
179.03502	17.2
180.03911	0.6
191.03418	0.8
193.05045	28.5
194.05411	1.3
207.06633	3.9
328.13483	0.6
347.67517	0.5
369.13470	1.6
383.14914	2.0
504.18140	0.6
505.18698	2.0
519.20190	3.0
537.21246	4.4
621.74701	0.6
689.04150	0.5
698.23413	1.2
713.25970	100.0
714.26324	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	713.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99049	2.0
57.21727	2.0
59.01379	14.0
61.02615	2.3
61.98829	57.6
64.54617	2.2
68.52959	2.1
69.02563	2.1
73.02937	3.4
83.67850	2.1
93.03452	6.9
101.02425	4.8
108.58484	2.2
117.03439	6.8
119.05029	11.6
121.02928	3.2
121.06583	4.1
132.02142	7.2
132.93140	2.3
133.02940	12.9
134.03743	63.6
135.04568	24.5
137.02380	6.9
147.04550	3.9
149.06070	6.3
150.91087	2.4
160.01672	25.7
161.02451	16.1
163.04051	2.6
165.05573	98.7
166.05872	4.6
175.04005	20.2
176.04353	3.1
178.02672	6.4
179.03554	18.1
179.07124	8.1
185.11880	4.0
191.49324	2.1
193.05072	27.8
207.06476	2.8
229.16600	3.8
229.75568	2.9
309.20746	2.5
613.35925	4.8
713.25977	100.0
714.26221	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	713.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74514	0.8
59.01384	13.3
61.10612	0.8
61.98832	3.6
71.01389	1.4
71.56295	1.5
78.96661	0.7
86.54550	0.8
88.14847	1.0
91.30160	0.9
99.29311	1.1
111.08231	2.2
113.02447	1.1
113.09734	2.4
127.91865	1.0
139.07639	2.3
149.32214	0.9
157.08701	100.0
158.09030	1.9
235.08223	2.6
241.62675	0.9
253.09326	5.4
277.21713	51.2
278.22073	4.4
393.17795	2.3
427.77344	1.1
508.51593	1.0
518.47308	1.0
623.89136	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06240	0.6
59.01378	20.9
61.98848	3.1
69.75238	3.2
71.01391	2.4
73.02952	0.7
85.02948	0.7
85.75224	0.6
87.00906	0.9
89.02461	0.8
95.01382	0.7
101.02449	1.9
107.91737	0.6
111.08161	2.2
113.02451	1.7
113.09756	2.9
139.07643	2.8
145.05154	0.7
157.08698	86.2
158.09016	3.2
161.04520	0.8
171.10315	0.7
179.05533	0.9
235.08206	3.3
253.09270	9.7
277.21719	100.0
278.22055	11.4
413.81366	0.7
453.42575	0.7
513.30463	1.5
595.39825	0.9
713.38818	0.8
723.48694	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.7
65.31466	0.2
75.46928	0.3
81.03416	0.4
82.30132	0.2
140.91093	0.3
179.03491	0.6
214.53137	0.3
225.16045	0.4
451.32834	0.3
465.74030	0.3
466.31046	0.4
677.49908	3.3
678.50134	0.5
713.47345	100.0
714.47687	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58957	0.5
59.01374	2.0
61.98832	100.0
83.01367	0.6
84.44392	0.6
86.49929	0.7
88.98824	2.3
93.03440	0.6
101.02483	1.2
107.01404	0.9
108.02206	1.5
109.02955	1.0
117.03478	0.7
119.05058	0.6
125.02462	0.7
127.38252	0.5
131.89520	0.5
133.03004	0.6
135.00940	1.4
145.02917	0.8
151.00356	1.9
152.01161	1.6
153.01962	0.8
153.05556	0.8
159.04558	0.6
160.01680	0.7
163.00398	0.9
175.04079	0.9
177.01842	0.5
183.04526	1.0
187.04025	0.9
199.04170	0.6
211.04044	1.3
213.05521	0.9
227.03510	18.7
227.05725	1.1
228.03973	1.2
229.04921	4.2
239.03438	0.7
255.02988	39.0
256.03598	5.1
257.04620	2.4
283.02451	7.2
284.03259	49.4
285.04031	36.0
286.04346	3.3
315.07349	2.0
383.06363	0.8
591.13794	2.5
609.15204	1.3
651.15649	67.4
652.15991	11.0
652.26190	0.8
714.18109	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	714.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44412	1.3
61.98830	100.0
68.47865	1.3
69.41912	10.6
72.83644	1.3
78.95917	1.4
84.38681	1.3
98.19948	3.1
125.68701	1.3
303.75775	1.3
380.01785	1.4
394.77197	1.4
438.28360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94452	0.1
56.48004	0.1
57.05871	0.1
59.01378	0.5
59.03508	0.1
59.22202	0.1
61.98831	100.0
62.98534	0.2
64.24980	0.1
70.46155	0.1
71.01385	0.4
89.02458	0.3
93.99965	0.1
101.02446	0.3
113.02454	0.1
116.92902	0.3
125.02485	0.2
161.04553	0.1
191.12711	0.1
228.05402	0.1
235.08301	0.2
277.21686	0.7
278.22141	0.7
303.62244	0.1
305.08600	0.1
397.13422	1.3
398.13831	1.1
399.09100	0.1
399.14175	0.5
415.14603	0.4
416.14859	0.3
467.09390	0.2
598.79596	0.1
609.92834	0.1
613.48602	0.1
676.37115	0.2
714.33948	1.0
715.34229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.4
61.24547	0.2
61.98831	100.0
71.01392	1.2
71.55324	0.3
73.02937	0.3
75.00903	0.2
85.02990	0.3
89.02435	0.4
99.00922	0.2
101.02438	0.6
106.27624	0.2
113.02483	0.5
115.05511	0.9
117.07125	0.3
119.05034	0.5
123.04523	0.2
126.86858	0.2
133.06532	0.2
145.02968	0.2
154.54558	0.2
161.04727	0.2
161.06096	0.7
162.06378	0.2
163.04054	0.7
165.05591	0.4
179.05615	0.3
187.04071	1.5
205.05231	0.2
211.13371	0.5
327.12451	0.2
461.24332	0.2
655.37225	0.2
715.36298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79278	0.1
51.05505	0.1
52.38250	0.2
55.95046	0.1
59.01373	0.3
59.99010	0.2
61.98830	100.0
62.98525	0.2
71.01398	0.2
74.11440	0.1
89.02465	0.2
90.77789	0.1
98.20653	0.4
101.02432	0.2
106.99721	0.2
115.05549	0.4
118.96841	0.1
187.04015	0.4
211.13417	0.1
229.19539	0.2
651.39459	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61106	0.1
59.01380	1.1
61.98831	100.0
62.98531	0.2
71.01401	0.6
73.02943	0.1
85.02971	0.2
88.98820	0.2
89.02471	0.3
101.02454	0.4
113.02458	0.3
115.05574	0.3
119.03599	0.1
125.02500	0.2
128.28458	0.1
179.05579	0.1
187.04050	0.4
188.11868	0.1
193.05051	0.1
254.05873	0.4
256.07428	0.3
269.08264	0.3
271.09836	0.3
331.06830	0.2
473.14529	0.2
475.15741	0.2
607.20355	0.2
679.38281	0.1
715.36310	0.1
735.41138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.4
61.98831	41.4
65.11005	0.5
69.03448	1.8
71.01375	2.5
72.99329	0.5
75.56651	0.5
81.03474	0.8
83.01382	1.4
85.02956	1.2
89.02452	0.6
95.01404	1.1
96.76890	0.4
97.02931	2.2
101.02454	1.1
107.01406	1.1
109.02946	0.6
113.02457	0.9
115.05614	0.4
117.77507	0.4
123.00883	4.8
123.04553	0.7
124.01673	11.4
125.02457	42.1
126.02794	1.1
127.76043	0.4
137.02454	1.7
149.99596	22.5
151.00293	1.9
151.04031	0.4
161.04570	0.9
161.05873	0.4
167.03519	0.7
168.00645	50.6
169.01385	5.8
179.03519	0.7
181.01367	0.5
187.03987	0.9
188.68495	0.4
192.00673	0.5
222.09511	0.4
223.40987	0.4
272.52213	0.4
289.91653	0.4
313.05655	7.7
314.05832	0.5
331.06699	100.0
332.07101	6.2
399.05688	23.1
399.10071	0.6
400.06067	2.1
577.10468	0.5
714.24561	0.5
715.24548	17.2
716.24487	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	715.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81797	0.4
55.92297	0.3
59.01379	2.6
61.98830	40.6
69.03461	1.7
71.01392	2.2
71.55792	0.4
72.99303	0.5
73.02930	0.5
81.03448	0.5
83.01398	1.5
85.02963	1.2
87.00880	0.5
89.02425	0.5
93.03476	0.5
95.01396	1.4
97.02966	2.2
101.02458	1.2
107.01360	1.0
113.02431	0.9
123.00861	4.6
123.01630	0.5
123.04483	0.5
124.01667	10.8
125.02448	42.6
126.02767	1.2
129.40192	0.4
130.40398	0.4
135.04488	0.3
137.02431	1.9
139.04044	0.5
149.02525	0.6
149.99586	20.7
151.00377	2.8
159.48297	0.4
161.06117	0.5
167.03481	1.4
168.00639	50.5
169.01399	5.2
179.03622	0.4
187.04034	1.1
211.02466	0.8
313.05640	8.1
331.06689	100.0
332.07022	7.4
385.78043	0.4
399.05670	20.0
400.06036	1.5
515.22253	0.7
674.70526	0.5
715.24542	17.0
716.24890	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	715.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39160	0.5
54.93459	0.6
55.39873	0.6
59.01377	3.8
61.23140	0.5
61.98833	12.2
69.03453	0.8
69.26492	2.2
69.26923	3.3
71.01389	5.8
73.02950	1.9
79.01897	1.0
79.95797	0.5
81.03468	1.1
83.01395	0.9
83.74440	0.6
85.02955	5.3
87.00870	0.7
88.74018	0.5
88.98812	3.1
89.02410	1.8
93.03466	0.8
95.01397	1.9
97.02981	0.9
101.02469	3.3
104.82989	0.5
107.01382	1.1
108.02177	61.7
109.02974	30.3
110.03307	0.8
113.02460	2.6
115.00298	0.8
119.03528	0.7
120.01267	0.7
121.02972	1.6
123.00877	2.0
123.04513	1.9
125.02438	1.0
133.02962	3.6
134.03790	1.4
135.00877	3.1
135.04533	1.7
149.02412	1.4
150.03230	1.0
151.04007	2.6
152.01155	75.0
153.01949	32.6
153.05556	1.2
160.01550	0.9
161.04530	1.1
163.03964	3.1
165.01965	2.9
165.05597	1.4
167.03514	0.7
175.04054	1.2
176.01128	1.9
177.01935	30.3
178.02280	1.3
181.05147	1.0
191.03616	0.6
193.05026	1.1
195.49197	0.6
225.04112	0.9
255.03064	0.8
255.63525	0.6
283.09906	1.0
284.03320	1.0
285.04059	0.8
315.07230	100.0
316.07565	8.1
337.09225	1.3
339.07199	46.2
340.07449	5.1
383.06207	64.1
384.06497	7.0
401.07266	9.1
461.24298	0.9
715.24542	14.8
716.24341	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	715.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.7
57.03448	1.8
58.00602	4.8
59.01383	100.0
60.01725	1.5
61.98838	24.3
62.41786	1.2
69.80599	2.9
69.81017	6.0
71.01385	78.9
72.99325	5.6
73.02967	2.3
75.00896	1.7
83.01398	2.5
85.02953	13.8
85.97860	1.2
87.00895	5.4
89.02448	94.3
93.03455	3.7
95.01389	5.8
97.23004	1.3
98.20581	1.9
101.02445	45.2
108.02193	4.9
109.02991	3.3
113.02459	29.7
115.00454	1.2
119.02656	2.6
119.03509	46.0
119.04894	1.8
121.02966	8.0
122.03745	5.8
123.04515	2.6
125.02460	1.9
131.03525	4.5
135.04559	2.2
136.01666	2.4
137.02469	2.3
139.03996	1.4
141.85321	1.2
143.03529	8.3
145.03024	2.0
149.02451	26.8
149.04535	3.6
150.03235	39.1
151.04054	2.3
152.01169	4.9
153.01953	3.6
161.04517	6.1
162.03236	4.6
163.04030	2.1
164.04759	3.6
165.05580	30.4
166.05986	1.8
174.84967	1.3
175.04001	2.4
177.01901	2.4
177.05606	3.2
179.05623	14.4
179.07118	1.5
180.04291	2.9
181.05208	1.5
195.06641	20.0
263.07132	2.8
281.08170	5.8
291.06717	2.0
293.08160	3.0
295.09628	1.4
307.09601	1.6
309.07690	25.7
310.08258	3.0
315.07166	7.6
316.07666	1.5
323.09293	3.7
324.10013	16.8
325.10693	3.3
327.12268	1.4
339.08112	2.3
339.12332	31.7
340.12805	3.7
348.06238	1.4
383.06256	2.7
443.14935	2.1
464.92993	1.3
487.17599	39.5
488.17935	6.5
505.19144	2.9
535.19916	1.7
586.67072	1.7
634.93726	1.4
667.23981	1.7
715.26208	8.4
716.26294	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	715.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55816	1.3
57.03449	3.1
58.00587	4.9
59.01379	100.0
61.98829	53.5
62.54166	1.5
69.43232	11.4
71.01379	69.7
72.99318	6.4
73.02930	2.7
75.00887	1.4
75.94282	1.4
83.01385	3.5
85.02940	11.5
87.00882	3.9
88.88224	1.4
89.02444	93.3
90.02773	2.6
93.03459	3.5
95.01388	6.0
95.61520	1.3
96.96011	6.0
97.02989	1.6
99.00868	1.5
101.02444	45.9
108.02171	13.8
109.02967	6.6
113.02445	31.1
116.92928	2.0
119.03506	41.9
121.02956	8.4
121.13666	1.4
122.03747	8.0
123.00883	2.3
123.04523	5.8
125.02456	2.8
131.03470	6.0
133.02954	2.8
134.03676	1.7
135.04544	4.8
136.01656	5.8
137.02446	3.1
140.01289	1.6
143.03482	8.6
145.02946	2.2
146.03780	1.6
147.04549	2.7
149.02451	29.6
149.04474	4.0
150.03224	41.9
151.04031	7.1
152.01172	16.9
153.01944	9.1
153.05550	3.6
161.04523	8.7
161.05856	1.8
162.03220	5.4
163.03999	2.6
164.04811	6.4
165.05562	38.0
167.03519	1.5
171.34430	1.4
175.03984	4.0
177.01965	6.0
177.05554	5.0
179.05608	15.6
179.07043	2.5
180.04216	3.0
181.05025	2.4
195.06606	21.8
200.48264	1.5
251.07726	1.4
281.08267	5.3
283.07019	2.1
297.07919	1.9
307.08667	2.0
309.07678	19.8
310.08331	2.5
312.10059	2.2
315.07217	22.0
323.09161	3.3
324.09973	11.3
325.10635	2.8
327.12445	3.9
337.09018	1.9
339.07242	9.7
339.12332	32.1
340.12524	3.6
357.13199	4.2
383.06107	12.9
401.07422	2.1
472.14957	3.6
486.87628	1.5
487.17648	35.8
488.17688	5.1
505.18771	10.8
506.19370	3.0
553.20947	3.5
667.24213	2.0
715.25385	13.2
715.38080	3.9
716.26624	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	715.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	12.4
59.01686	0.6
61.98832	100.0
62.98528	0.6
63.99258	0.4
71.01381	6.2
72.99332	0.5
73.02963	1.6
77.05109	0.3
83.01413	0.8
84.13992	0.3
85.02947	2.0
87.00883	0.4
89.02444	3.3
95.01411	0.6
96.96044	0.4
99.00848	0.6
101.02446	3.7
111.00878	0.4
113.02452	3.8
114.02754	0.3
115.05532	1.5
117.03471	0.8
117.07124	0.4
119.03513	1.9
119.05050	1.4
125.02428	0.5
143.03532	0.6
145.02988	0.7
161.04614	0.8
161.06094	0.9
163.04057	1.1
169.62535	0.3
175.04175	0.3
179.05644	0.8
187.03952	1.6
205.05168	0.4
211.13426	1.0
286.80893	0.3
444.07733	0.3
467.30258	0.5
471.21292	0.4
506.17773	0.3
611.34399	6.2
612.35352	1.0
629.35376	6.6
630.35925	1.2
671.36475	0.7
715.36334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52955	0.6
59.01385	11.6
59.14230	0.6
60.79384	0.6
61.98830	4.2
71.01382	2.2
89.02452	1.8
91.92206	0.7
98.20755	1.4
101.02438	2.4
113.02494	0.7
113.09728	6.6
114.41754	0.7
157.08725	1.1
159.10278	100.0
160.10637	4.0
167.57835	0.9
171.51736	0.8
235.08351	1.7
253.09294	16.2
277.21732	53.1
278.21988	5.6
353.00162	0.8
395.19089	1.5
419.31696	9.9
420.32166	1.1
570.99768	0.8
657.34875	0.7
741.73425	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37473	0.8
59.01383	10.6
61.98841	3.4
69.31423	5.0
70.66345	0.7
71.01378	1.7
73.02931	0.9
73.66944	0.7
75.90639	0.7
89.02425	2.0
90.28844	0.7
98.19871	1.7
101.02427	1.8
109.31323	0.7
113.02473	1.3
113.09743	4.3
159.10269	58.2
160.10616	2.8
160.98801	0.7
161.04520	1.4
179.42284	0.8
181.66359	0.7
198.58308	0.8
235.08247	4.5
242.69850	0.8
253.09288	10.0
256.96945	1.0
274.27026	0.7
277.21713	100.0
278.22028	9.4
397.14142	0.7
419.31747	3.8
513.30371	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01517	0.2
59.01369	0.2
61.98831	100.0
63.45456	0.2
71.45071	0.3
75.92025	0.2
87.80762	0.2
96.81976	0.2
105.23595	0.2
119.05054	0.2
165.05566	0.6
167.15495	0.2
176.85187	0.2
225.28145	0.2
240.62512	0.2
308.13718	0.2
346.42120	0.2
487.17960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30145	0.1
55.42160	0.1
59.01384	0.2
61.98832	100.0
62.98523	0.2
70.87736	0.3
77.45689	0.2
110.42491	0.2
132.92702	0.1
177.41458	0.1
196.99440	0.1
237.25554	0.1
256.23724	0.2
283.27805	0.1
399.14029	0.2
548.19604	0.2
574.55194	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09180	0.2
54.46381	0.2
61.98832	100.0
64.80552	0.2
69.31030	0.9
69.31456	1.3
72.07002	0.3
113.37093	0.3
113.70439	0.3
129.10938	0.2
130.16846	0.3
157.08757	0.5
158.09074	0.6
168.30603	0.3
208.61998	0.3
278.22125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08641	0.3
54.29388	0.3
55.76720	0.3
57.22517	0.3
59.01389	0.6
60.87619	0.3
61.98830	100.0
65.68764	0.3
71.01391	0.3
71.03739	0.7
73.05910	0.3
73.77977	0.4
78.36206	0.3
91.41914	0.3
141.69939	0.3
145.02893	0.4
157.08714	0.7
158.09019	0.3
159.10301	0.6
205.36411	0.5
236.97835	0.3
277.21762	0.4
278.22156	0.8
279.23041	0.5
283.26471	0.6
397.13568	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35458	0.2
55.91119	0.3
56.15130	0.2
59.01385	1.5
59.43531	0.2
61.98831	100.0
63.99256	0.6
71.01397	0.8
71.54801	0.2
71.55233	0.3
75.47919	0.2
83.38489	0.3
85.02993	0.4
89.02470	0.3
101.02471	0.6
113.02416	0.3
115.05531	1.2
116.92840	0.3
117.03471	0.5
117.07133	0.4
121.02997	0.3
123.04469	0.3
133.06601	0.4
143.05022	0.3
151.03990	0.3
161.04811	0.3
161.06039	1.4
163.04094	0.3
165.05577	0.6
179.07190	0.3
187.03979	1.8
188.04399	0.4
203.03488	0.4
203.30089	0.3
211.10722	0.3
211.13324	0.5
388.72318	0.3
473.14877	0.4
482.16537	0.3
516.47595	0.2
580.95520	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
59.01379	2.4
61.98831	100.0
63.99252	0.2
71.01377	1.3
73.02955	0.3
83.01404	0.2
85.02944	0.4
89.02474	0.6
92.67724	0.2
98.19894	0.7
99.00970	0.2
100.46323	0.2
101.02430	0.9
113.02447	0.5
114.02829	0.2
115.05520	0.2
117.07122	0.3
119.05006	0.2
161.04576	0.4
161.06071	0.5
163.04077	0.2
165.05620	0.6
187.03990	0.5
199.07701	0.2
611.34204	0.3
612.34845	1.5
630.35614	1.5
631.36401	0.3
716.37274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22863	0.4
56.03537	0.4
59.01381	1.6
61.98832	100.0
62.61107	0.4
62.98566	0.4
63.99237	0.5
68.53441	0.4
70.81061	0.7
71.01369	0.5
91.25809	0.4
99.92593	8.0
100.92627	0.5
101.02479	0.6
114.34683	0.4
115.05585	1.2
115.92071	7.2
116.92100	0.9
116.92874	7.4
117.07113	1.2
117.92841	0.6
121.03004	1.7
140.08707	0.4
143.03491	0.4
153.49596	0.4
161.06114	2.9
187.04033	1.0
200.30501	0.4
205.05109	1.4
236.94965	0.7
287.83621	0.5
288.98157	2.6
289.98303	0.5
328.24255	0.5
360.35190	0.5
511.14853	0.5
555.17175	0.5
717.10950	2.4
718.11145	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09608	0.6
59.01379	15.1
59.68023	0.5
61.51140	0.6
65.62161	0.5
69.03432	0.6
69.78627	0.5
70.18108	1.5
70.18494	1.1
71.01374	1.2
72.60170	0.5
82.08140	0.6
85.02946	1.7
91.05530	13.3
98.19936	0.6
113.02453	1.9
115.05516	3.1
115.16502	0.5
117.07104	45.3
118.07444	2.7
125.02451	2.9
127.03979	0.6
133.06592	5.7
135.04503	0.7
143.03519	2.6
155.03470	1.1
161.06079	100.0
162.06430	5.8
163.03987	1.3
185.04573	3.7
187.03995	10.8
205.05051	83.3
206.05428	5.5
223.06059	3.6
245.06557	0.8
261.04114	0.5
425.14362	1.1
477.40808	0.6
511.14560	20.3
511.22260	1.1
512.14923	3.7
717.19995	3.1
718.20856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.2
61.69662	0.3
61.98830	20.4
62.83992	0.3
63.10855	0.3
67.45423	0.3
68.99840	0.3
71.01379	2.4
71.55505	0.3
71.55991	0.4
73.02969	0.3
75.00869	0.5
81.03451	0.6
85.02964	2.4
91.05532	10.4
93.03427	0.2
95.01384	0.6
97.02957	0.8
99.00899	0.3
101.02475	0.3
107.87203	0.2
113.02454	2.2
115.05532	4.0
117.07108	51.7
118.07426	2.3
119.04996	0.4
123.04524	0.4
124.41506	0.3
125.02448	2.8
126.95188	0.3
127.04054	0.3
133.06592	6.1
135.04544	1.6
143.03482	3.1
146.38078	0.3
155.03493	1.0
161.06079	100.0
162.06407	5.6
163.03989	1.9
165.05481	0.4
185.04555	3.7
187.03999	10.9
188.04337	0.8
205.05051	83.9
206.05402	4.8
211.13454	0.3
223.06099	4.1
233.04279	0.3
245.06435	0.6
262.43024	0.3
265.07156	0.6
425.14337	0.8
451.12448	0.6
467.15359	0.4
511.14575	17.3
512.14935	2.8
519.23352	0.3
555.16302	0.7
556.16205	0.4
625.77228	0.3
717.20392	2.2
718.20520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01379	16.8
59.51704	0.2
59.96140	0.2
61.98831	6.8
62.33088	0.2
63.16995	0.2
64.89770	0.2
68.99792	0.3
69.03440	0.3
70.87140	0.4
70.87515	0.5
71.01378	2.1
72.99314	0.3
75.00886	0.6
81.03474	0.4
83.01390	0.4
85.02953	2.4
87.00873	0.4
88.98801	1.2
91.05534	9.4
92.05866	0.3
93.03493	0.3
97.02970	0.8
99.04531	0.3
102.43798	0.3
113.02444	2.2
115.05543	3.7
117.01933	0.3
117.07108	50.4
118.07437	2.9
119.05046	0.3
125.02452	2.9
127.04029	0.4
133.06604	5.9
134.06941	0.4
135.04567	1.2
136.59412	0.2
141.75258	0.2
143.03503	2.8
143.04720	0.3
143.05042	0.3
155.03546	1.1
161.06081	100.0
162.06412	5.5
162.07724	0.4
163.04042	2.3
170.99184	0.2
179.07162	0.4
185.04549	3.8
187.04002	9.4
188.04362	0.9
205.05052	82.9
205.94276	0.2
206.05379	5.5
209.94377	0.2
223.06123	4.3
245.06631	0.9
265.07138	0.8
283.20132	0.2
425.14600	1.1
451.12189	0.5
467.15604	0.6
511.14569	18.2
512.14948	2.8
630.38525	0.3
686.59033	0.3
717.20453	2.2
718.20538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22483	0.6
59.01378	25.2
61.98829	20.1
62.45997	0.6
65.71429	0.5
69.46128	4.6
71.01390	3.2
72.99348	0.6
81.15901	0.7
85.02948	2.6
87.00872	1.4
88.98785	0.8
91.05528	12.3
95.01375	0.8
97.02937	1.1
113.02425	3.3
115.05534	13.6
117.07104	42.2
118.07438	2.4
125.02456	4.8
133.06598	11.7
134.06940	0.9
135.04549	1.7
143.03484	5.2
143.05070	1.4
155.03487	2.3
161.06073	100.0
162.06396	5.8
163.03975	6.6
165.05507	1.0
185.04529	8.2
187.04001	35.8
188.04337	2.9
205.05046	77.0
206.05380	5.8
211.13451	0.9
223.06114	15.7
224.06375	0.7
245.06673	1.9
265.07092	1.6
399.54669	0.7
451.12540	2.3
509.08682	0.7
511.14505	12.0
511.21466	1.2
512.14734	1.9
717.20447	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	717.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77327	0.8
54.38091	0.7
57.03429	0.9
58.00583	2.6
59.01379	45.1
71.01379	40.5
71.43564	1.2
72.01713	0.7
72.99309	2.7
73.02945	1.2
83.01385	1.6
85.02955	6.0
87.00888	4.2
89.02442	51.1
90.02813	1.0
95.01376	2.6
101.02434	20.1
113.02457	14.9
115.93156	0.8
119.03502	17.0
125.02431	2.8
131.03496	2.6
143.03516	3.7
145.02953	1.8
149.02475	4.3
149.04565	1.3
150.03226	8.6
161.02431	2.4
161.04553	5.7
162.03229	3.3
164.04762	1.9
165.05574	12.2
179.05603	25.9
180.04254	0.9
180.05800	0.9
186.73880	0.7
191.05531	0.8
195.06622	5.9
208.85164	0.8
279.36276	0.8
327.10873	2.6
341.10876	100.0
342.11365	6.7
357.11853	2.8
394.64520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98829	100.0
62.98531	0.1
63.99266	0.1
71.01373	0.4
71.04432	0.3
71.04806	0.1
72.99349	0.1
73.02960	0.1
85.02988	0.2
85.11296	0.1
88.98799	0.1
89.02500	0.2
95.01432	0.2
101.02471	0.3
109.02998	0.2
113.02464	0.2
115.00332	0.1
115.05563	0.2
116.86538	0.1
119.05006	0.1
140.77650	0.1
161.04614	0.2
161.05998	0.2
163.04044	0.2
165.05588	0.2
187.04037	0.4
245.36111	0.1
295.06381	0.1
339.07251	0.3
383.17148	0.2
528.77435	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	718.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07176	0.1
52.96144	0.1
53.84319	0.1
54.20107	0.1
59.01375	0.5
61.98830	100.0
62.98535	0.2
63.53728	0.1
71.01386	0.3
73.02941	0.2
86.00951	0.1
88.98830	0.3
89.02447	0.2
98.20652	0.3
101.02455	0.4
113.02458	0.2
115.05569	0.3
123.04531	0.2
136.01605	0.1
161.06076	0.3
163.04018	0.2
165.05579	0.2
175.02411	0.2
187.03931	0.7
243.05606	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	718.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.99506	0.4
71.55914	0.5
134.22130	0.3
159.10283	0.6
274.54233	0.4
277.21664	0.7
278.22174	0.7
493.99698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88217	0.4
59.01375	0.4
60.33784	0.4
61.98831	100.0
71.56319	0.6
78.95918	0.6
111.02127	0.3
150.54755	0.4
159.10349	0.7
160.10617	0.4
165.77553	0.4
221.11868	0.6
277.21753	0.6
642.14972	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1616
Annotation	Diinsininol
Peak:m/z	Relative Intensity
50.20014	0.6
53.01462	0.7
57.03428	0.8
59.01369	2.4
61.98821	2.5
65.00337	1.7
71.01373	1.8
83.01414	0.8
85.02946	1.2
89.02448	1.0
93.03458	8.2
93.79887	0.6
98.19905	2.1
101.02451	1.3
107.01395	1.0
113.02438	0.9
115.00391	0.7
116.92876	0.9
117.03403	0.8
119.05030	1.2
121.02928	0.9
123.04501	2.9
124.01664	1.5
125.02438	1.8
126.65274	0.7
132.02167	0.9
133.02985	1.7
137.02454	1.7
143.05025	1.4
149.02357	1.1
150.03227	0.7
151.00357	2.4
161.04674	0.9
163.00305	0.7
164.01103	2.1
165.01888	1.6
167.05028	1.4
171.04446	1.4
183.04471	1.2
185.06094	0.9
187.03946	1.0
195.04529	0.6
199.03934	1.6
209.06058	2.0
211.03908	1.1
213.05585	1.1
214.02689	1.6
223.03949	1.5
225.05479	1.6
226.02719	1.0
227.03490	3.2
231.03004	1.1
239.03429	1.8
243.02835	1.9
251.07170	1.1
253.05069	24.8
254.02171	1.1
254.05257	1.7
255.03012	11.5
256.03442	0.9
257.04602	1.1
267.02939	5.8
267.06561	1.1
268.03375	0.7
269.01035	1.2
269.04416	2.4
271.06143	2.8
275.06958	0.9
279.02936	1.2
281.01001	2.0
281.04147	0.9
283.02484	2.2
284.03278	1.1
285.04053	51.4
286.04361	3.2
289.08151	0.9
293.01093	1.3
295.02499	3.0
295.05881	1.4
297.04010	1.0
298.01086	1.4
307.02475	1.5
313.03500	1.2
317.08240	1.5
319.05984	2.1
325.03558	1.2
333.07520	0.9
337.07172	1.9
347.05807	1.2
359.05740	1.6
361.07181	9.5
362.07553	1.1
369.08066	1.8
373.07199	0.9
377.06769	1.1
387.04913	1.4
389.06592	1.8
401.06537	1.3
403.04312	0.8
405.06128	0.8
413.06601	0.7
419.07617	3.0
432.04910	0.9
433.05585	3.1
433.11429	2.4
445.05893	1.8
446.06332	1.9
453.09738	2.3
471.10959	1.6
495.10980	4.0
539.09833	100.0
540.10211	19.8
719.16132	14.4
720.16895	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	719.1618
Annotation	Diinsininol
Peak:m/z	Relative Intensity
59.01381	1.9
61.98796	1.8
69.72491	8.3
77.97382	1.2
84.87277	1.1
85.20458	1.2
90.30556	1.1
93.03455	7.1
98.16624	1.3
109.02950	1.4
123.04500	2.1
125.02438	4.3
132.02132	1.9
137.02402	4.2
151.00371	2.5
151.03908	1.5
163.00400	2.3
164.01192	11.6
165.01866	2.2
167.99167	1.3
175.03990	1.5
181.02869	1.6
183.04517	1.4
187.03856	1.5
199.03973	8.8
211.03951	2.0
225.01938	2.0
227.03479	47.5
228.03917	3.9
229.04922	2.1
239.03342	1.6
242.02132	1.5
243.02974	44.5
244.03229	3.4
253.04991	6.5
254.02007	1.5
255.02972	81.6
256.03479	10.5
257.04242	1.8
267.02954	9.3
268.03674	2.3
269.00964	10.7
269.03726	2.0
271.06064	10.6
281.00711	1.5
282.01575	2.6
283.02457	8.2
284.03256	69.6
285.03964	25.3
293.00949	2.0
293.04388	1.9
295.02423	10.8
296.03076	2.3
298.01257	3.0
303.06686	1.6
307.02435	2.1
319.05930	2.5
324.02579	1.9
327.05353	1.5
348.05969	1.7
359.05521	2.1
361.07126	17.0
362.07391	2.5
376.05682	2.3
379.08234	3.1
387.05081	3.9
389.06238	1.5
403.04559	3.8
404.05499	1.7
405.06189	3.1
415.04660	3.1
432.04810	3.4
445.05664	3.0
447.09302	100.0
448.09564	10.7
463.08484	2.9
475.08820	1.7
487.09192	1.4
538.09265	2.0
539.09796	9.4
540.09973	1.9
581.12952	4.0
583.10870	13.9
593.12701	3.7
701.15015	31.7
701.27118	1.8
702.15411	5.5
719.16095	73.2
720.16620	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	719.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03481	1.0
59.01377	5.3
61.68970	1.0
61.98833	11.0
65.10613	1.0
70.45770	1.0
71.01377	3.6
73.02923	1.6
73.76351	0.9
79.35820	1.0
84.45184	0.8
85.02961	1.2
88.98797	7.2
89.02423	1.5
93.03431	2.3
95.01383	1.4
95.02695	1.0
101.02441	3.0
103.51237	0.8
108.88389	0.8
109.02947	1.0
113.02456	3.3
115.05513	5.7
117.07079	2.4
123.04485	1.4
125.02441	1.3
133.06625	1.9
150.03206	1.6
151.00328	2.4
157.02968	1.2
161.04393	1.0
161.06061	4.1
163.04022	1.4
165.05623	1.8
185.06082	1.0
187.03990	12.5
188.04298	1.7
195.06499	0.9
197.42781	0.9
213.05492	1.3
229.05046	2.0
229.30887	1.1
241.05051	2.9
256.07370	5.7
257.04459	1.3
271.09842	7.4
285.04047	100.0
286.04370	8.8
432.90756	1.0
433.14984	2.0
473.14319	1.7
474.14841	1.7
523.15912	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00765	3.0
51.58427	2.5
53.97021	2.3
59.01383	8.4
64.22194	2.7
69.83969	17.5
70.81612	3.0
71.01365	5.0
80.33058	3.3
81.90147	2.8
89.02444	8.6
90.79317	2.9
93.39157	3.0
98.20572	3.1
103.34949	3.6
125.16648	3.1
133.68813	3.1
141.25754	2.8
148.69919	2.6
179.05675	4.0
183.97797	3.2
215.03224	4.8
216.99039	2.8
341.10745	19.7
377.08542	100.0
378.08942	7.5
416.46228	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	719.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09359	5.2
53.69264	4.3
59.01365	8.3
60.61988	4.3
64.77039	4.6
66.44128	4.3
67.33968	4.7
69.46407	40.2
80.90269	4.6
88.41345	4.7
89.02464	8.0
90.47353	4.8
110.93729	5.3
113.02428	5.9
137.73521	4.7
140.02910	5.0
190.50691	4.3
215.03242	5.8
220.62109	4.4
341.11002	22.7
377.03864	7.8
377.08542	100.0
378.08841	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	720.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	29.1
61.98823	8.9
64.52600	2.3
71.01392	20.4
71.30820	3.1
71.31174	2.6
89.02458	30.7
101.02451	14.1
105.56258	2.4
109.67697	2.0
113.02451	8.6
119.03522	12.2
179.05640	13.1
225.22234	4.3
234.59872	2.3
250.21758	3.4
255.23314	3.4
271.22800	3.6
366.92709	2.6
369.78937	2.3
451.32773	2.2
504.44232	13.6
522.45197	7.2
646.21222	2.7
684.50562	100.0
685.51147	21.6
720.48199	20.0
721.48853	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	721.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39602	0.3
57.03445	0.4
58.00589	0.3
58.96495	0.3
59.01377	9.0
61.98832	4.7
69.43087	0.6
69.43495	1.7
71.01382	13.4
71.05029	0.6
72.01752	0.5
72.99297	1.1
73.02953	1.3
76.86160	0.3
78.95924	0.3
83.01391	0.8
85.02950	1.9
87.00879	26.9
88.01205	0.4
88.04058	1.6
89.02457	0.8
96.96004	0.7
98.20612	0.6
99.00909	0.7
101.02436	1.2
107.77716	0.3
112.43447	0.3
112.98810	0.7
113.02431	1.4
115.00374	40.0
115.38617	0.3
116.00698	0.7
116.92840	0.6
117.03460	0.3
119.03520	0.3
123.04533	0.6
127.00404	0.7
127.21706	0.3
136.01668	2.4
143.03432	0.3
145.02972	0.5
146.08243	2.8
147.08627	0.6
150.03201	0.4
151.04007	2.9
157.01450	0.4
161.04555	0.4
161.06073	0.3
165.05588	0.4
166.97353	0.3
175.02473	100.0
176.02780	3.0
187.03931	0.3
193.05077	0.3
218.10333	1.4
227.03528	0.2
243.01437	0.7
262.14417	0.3
357.13370	0.4
358.13763	0.8
477.23645	0.6
519.24695	0.3
567.20416	0.3
641.14557	0.3
721.24115	0.8
721.34808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33583	1.0
59.01381	15.0
61.98832	100.0
69.97915	3.6
71.01386	8.3
73.02941	3.2
83.01370	1.4
85.02956	4.4
88.40918	1.4
89.52425	1.1
98.19992	1.5
101.02457	5.7
109.30064	1.3
113.02454	2.8
115.05550	5.3
117.03505	1.5
117.07111	3.8
119.05042	3.5
123.04560	1.4
132.51225	1.0
133.06606	2.2
136.37360	1.2
143.03416	1.4
145.02972	3.1
161.06093	10.8
161.07300	1.8
163.04013	5.2
187.04027	8.9
205.05048	10.3
226.85074	1.3
241.04984	1.9
271.09689	2.8
294.28622	1.2
325.27643	1.1
471.33044	3.5
485.74640	1.3
489.34491	6.0
498.71136	1.2
553.15515	1.8
617.38867	12.2
618.39447	3.6
635.40002	9.2
636.40662	2.3
683.21814	1.5
685.22723	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	722.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.9
61.98833	100.0
70.42798	1.6
70.43149	4.7
71.01363	1.8
80.91705	1.5
83.39700	1.3
85.76501	1.3
117.07113	21.2
139.86992	1.5
150.69440	1.3
161.06073	36.2
161.08170	1.7
162.06409	1.5
165.55095	1.3
205.05049	32.8
415.50198	1.5
553.15533	15.8
665.77698	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	722.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32262	0.7
55.16072	0.7
59.01383	13.9
61.98830	100.0
70.79136	0.7
71.01381	4.8
71.14059	0.8
73.02970	1.2
75.92428	0.9
83.01403	1.6
85.02956	2.5
91.05516	1.9
100.70834	0.7
101.02460	3.5
102.07748	0.8
113.02481	1.6
115.05553	2.4
117.07113	20.4
118.07430	0.9
125.02448	1.3
133.06630	1.2
143.03543	1.3
159.67848	0.8
161.06078	41.7
162.06429	2.8
165.05518	0.9
187.04013	3.0
205.05055	36.7
206.05415	2.3
471.33066	1.4
472.34232	1.3
489.34424	2.9
490.34683	1.4
553.15527	13.0
554.15729	2.0
617.38983	5.4
618.39453	5.3
635.39917	5.9
636.40491	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	722.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21350	0.1
59.01372	1.2
61.98831	100.0
63.84285	0.1
69.22713	1.6
70.18247	0.2
71.01374	0.8
73.02962	0.3
74.94717	0.2
85.02946	0.3
87.00893	0.3
89.02455	0.4
101.02458	0.9
102.29987	0.2
113.02431	0.4
115.00362	0.2
123.04532	0.3
153.09201	0.2
161.04579	0.4
163.04036	0.2
175.02539	0.3
193.05101	0.2
195.06631	0.2
223.13618	0.2
234.86650	0.2
241.05057	0.5
256.07455	1.2
269.10440	0.3
271.09763	1.3
285.04184	0.2
337.09497	0.4
387.59714	0.2
433.14862	0.2
453.17886	0.2
497.27737	0.4
519.94427	0.2
548.24219	0.2
579.20526	0.9
621.22052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62755	0.4
54.41567	0.5
58.42427	0.4
59.01384	2.2
61.98827	6.9
65.00334	0.9
73.02932	0.4
83.01365	0.6
89.02451	0.6
101.02438	0.9
107.01402	1.9
113.02460	0.5
117.03522	0.5
132.02162	1.4
135.00887	1.4
135.68390	0.5
147.04530	0.5
151.00377	2.9
152.01109	0.5
163.00293	0.9
164.01158	0.9
178.99908	1.7
179.05466	0.4
183.04491	1.9
185.06146	0.6
187.03969	1.5
199.03925	0.6
199.91850	0.4
200.04926	0.5
211.03992	2.2
213.05649	1.0
227.03494	55.3
228.03876	4.2
229.04910	1.1
239.03497	1.3
241.05127	1.4
252.11034	0.5
255.02980	90.5
256.03525	9.4
256.07449	1.9
257.04413	1.9
271.09729	1.5
283.02356	2.4
284.03250	100.0
285.03873	18.4
286.04333	0.9
426.39059	0.5
427.59372	0.5
447.29156	0.4
559.12775	1.3
562.05090	0.5
577.13977	0.5
579.20569	0.9
623.29156	0.7
723.19275	56.9
724.19720	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	723.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.6
61.98811	3.5
71.01372	5.6
71.19141	1.9
73.02950	1.1
83.01384	1.1
85.02937	4.4
87.00867	1.6
89.02421	3.0
93.03458	1.6
94.28757	0.9
101.02448	4.0
102.22601	0.9
113.02427	3.1
115.04044	1.1
119.01388	1.2
119.03517	1.5
119.05016	3.0
121.02932	2.7
125.02449	2.9
128.90176	3.2
132.02164	4.2
133.02948	3.9
134.03740	49.2
135.04208	2.0
137.02461	7.9
139.04013	1.9
145.02954	3.2
147.00839	2.2
147.04530	2.3
149.02402	6.6
149.06075	17.2
150.03226	2.6
160.01665	27.3
163.03990	2.1
163.06174	1.3
164.04782	4.6
175.00359	12.8
175.02515	1.8
175.03992	27.7
176.01129	2.3
176.04663	3.9
177.01848	1.0
178.02715	32.7
179.03027	2.0
179.05611	1.1
179.07051	1.1
190.02718	33.4
191.03398	4.3
191.05556	1.6
191.07167	3.1
192.04306	4.8
193.05048	100.0
194.05388	4.3
195.96268	1.0
205.05048	32.7
206.05481	1.9
207.06606	3.6
209.04536	1.6
217.05064	2.5
223.06117	6.6
229.04967	1.1
235.06174	5.9
265.07138	1.5
306.94592	1.0
313.06921	1.0
353.08997	5.0
355.10202	3.4
367.10324	42.8
368.10733	4.5
395.10263	1.3
451.70837	1.1
561.16101	87.8
562.16437	12.1
578.01086	1.0
603.16840	1.2
723.21527	1.6
723.34222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	16.0
59.01381	32.5
61.98829	32.6
70.28634	2.1
70.29043	1.2
71.01379	9.7
72.99315	2.1
73.02927	3.4
79.48427	0.7
83.01408	1.5
85.02969	7.2
87.00871	1.0
89.02448	7.6
90.79976	0.8
97.02946	1.1
99.04521	3.5
101.02438	11.3
103.04030	4.7
103.04607	0.7
113.02449	2.6
115.05521	1.2
119.03508	2.9
123.04520	0.9
125.02457	2.8
127.03929	0.8
133.26334	0.7
145.05014	0.9
151.04015	0.8
161.04524	2.1
161.06041	1.2
163.04025	0.7
163.06105	2.0
175.02568	0.8
182.55595	0.7
187.03911	1.1
213.05563	15.1
214.05786	1.1
225.05629	1.0
227.06989	1.3
240.04224	1.2
240.07884	0.9
241.05057	48.6
242.05234	3.4
255.06601	10.6
255.10292	2.1
256.07401	100.0
257.07776	8.6
269.08206	1.3
270.09042	3.8
271.09750	85.7
272.10071	9.1
313.10718	1.9
352.72992	0.7
365.23166	0.7
370.05093	0.7
415.14038	2.9
433.15109	7.6
475.16376	3.5
483.98962	0.8
501.32193	12.9
502.32715	1.4
561.19879	2.5
579.20813	87.0
580.21179	15.8
621.21863	31.4
621.32184	1.4
622.22217	6.6
661.24994	4.3
662.26459	1.5
723.24933	2.9
723.36456	1.1
724.24426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.8
57.03448	4.6
57.19889	0.8
58.00580	2.6
59.01379	56.3
61.20379	0.9
61.98832	25.4
68.68978	0.9
69.03452	1.2
69.58785	6.2
71.01382	66.9
72.99293	3.2
73.02942	13.8
75.00858	2.3
83.01379	9.2
85.02950	27.1
87.00867	8.7
89.02444	28.0
90.02802	0.9
91.06954	1.0
95.01385	6.0
96.96040	1.4
97.02943	1.3
99.00894	7.0
101.01781	1.9
101.02443	39.3
111.00871	3.5
113.01703	1.8
113.02451	24.5
115.00351	2.3
119.03487	8.4
119.04957	1.2
123.04520	8.3
125.02444	3.2
126.98064	1.0
127.00357	1.3
129.01912	2.8
131.03484	2.9
135.04510	1.0
136.01595	1.0
143.03497	2.9
145.02985	2.0
150.03230	1.8
151.00369	1.1
159.02989	4.6
161.04547	8.8
163.04027	1.9
165.05486	1.0
175.02516	8.0
176.02791	2.1
179.05594	4.6
195.06667	1.3
221.06654	2.3
240.04265	1.0
285.03845	1.4
353.08832	1.8
399.23773	6.5
543.28259	2.0
561.29114	52.3
562.29150	6.2
642.15161	1.9
681.62695	1.1
723.34467	100.0
724.22314	0.7
724.34674	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	723.3811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05011	0.6
57.47659	0.7
57.97417	0.7
59.01384	9.6
61.98832	100.0
62.98546	0.9
69.34667	5.9
69.35018	0.6
70.53661	0.7
71.01382	9.8
72.99303	1.4
73.02950	1.6
83.01389	1.4
85.02940	3.9
87.00896	1.4
88.98866	0.7
89.02458	2.9
93.03477	1.9
95.01398	0.7
97.03006	0.8
101.02460	4.3
102.72013	0.6
109.02919	0.7
113.02452	3.4
115.05531	3.5
117.07185	0.9
119.03525	1.3
125.02476	1.4
135.04527	2.0
136.01750	0.7
137.02477	3.4
140.45418	0.8
143.03496	0.9
161.04634	1.5
161.06071	1.8
175.02509	0.8
187.04027	4.6
188.04248	0.8
205.05110	0.9
241.05144	1.6
256.07458	3.6
260.96097	0.7
271.09860	2.4
297.87015	0.7
313.24356	0.8
321.24487	0.9
339.25540	2.2
357.26651	1.4
393.51059	0.8
433.15070	1.0
473.14896	1.3
484.67136	0.7
501.30707	3.9
519.31970	2.5
579.21295	3.3
663.35974	33.7
664.36200	5.9
723.38013	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	723.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42853	2.9
59.01382	46.1
59.39884	3.2
61.98832	35.8
64.80318	3.3
71.01388	33.4
73.02940	4.0
85.02942	9.3
87.00861	7.6
89.02444	33.0
96.95997	15.3
98.20763	7.1
101.02449	25.1
106.20596	3.4
113.02454	13.6
119.03506	8.3
125.02434	6.9
143.03534	6.0
161.04506	3.5
179.05582	4.7
211.13339	8.2
235.08191	12.4
253.09311	6.0
265.21732	87.6
266.22040	6.0
287.07571	4.6
319.96606	3.7
355.72675	3.2
397.13525	100.0
398.13947	10.6
415.14618	31.8
453.94748	3.4
463.27728	3.4
576.27374	3.9
600.44586	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	723.4321
Annotation	Trungapeptin B
Peak:m/z	Relative Intensity
59.01381	4.7
61.26561	0.5
61.98843	1.3
62.55558	0.4
69.33253	4.5
70.84544	0.5
71.01391	3.5
73.02937	0.9
80.70835	0.4
85.02932	1.0
87.00880	0.7
89.02457	2.0
96.44370	0.6
98.20731	0.6
101.02458	3.3
103.81039	0.5
111.64185	0.4
113.02464	1.4
119.03522	0.7
130.05605	0.4
161.04602	1.0
165.12842	6.1
179.05597	0.6
183.13898	100.0
184.14221	4.9
185.11798	0.5
199.13538	0.6
209.11835	4.2
227.12878	5.6
235.08180	2.8
253.09309	5.8
277.21707	38.2
278.22055	3.5
290.61435	0.5
379.31503	0.5
419.22781	0.9
445.20782	2.1
463.21854	4.2
464.22479	0.7
600.29047	0.6
723.43243	53.3
724.43579	13.3
751.74750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29675	0.8
59.01384	8.4
61.98830	1.4
71.01391	5.9
71.19477	1.7
73.02963	1.0
85.02935	2.0
87.00888	1.2
89.02442	2.7
97.06589	0.9
101.02433	4.3
111.08073	1.1
113.02452	1.6
116.92867	1.2
161.04564	1.3
165.12866	8.7
180.35648	1.0
183.13904	68.7
184.14200	3.5
185.11884	1.0
199.13341	1.8
209.11823	6.0
217.77492	0.9
227.12955	7.3
235.08212	3.8
253.09308	6.8
259.20581	1.0
275.20120	1.2
277.21719	100.0
278.22046	9.1
344.43613	0.9
364.33521	0.9
426.43939	1.1
435.26889	1.1
445.20709	2.5
463.21912	3.2
524.98987	1.0
722.88043	1.2
723.43256	72.2
724.43512	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	724.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98831	100.0
62.49771	0.2
62.82016	0.2
62.98523	0.3
66.69808	0.2
67.77038	0.2
71.01379	0.3
71.45886	0.3
101.02470	0.2
107.62038	0.2
116.22237	0.2
117.38979	0.2
180.15472	0.2
190.84351	0.2
288.30243	0.2
334.84424	0.2
448.94250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45708	0.9
59.01374	2.4
61.98829	4.8
68.89201	0.7
85.02962	0.9
85.52764	0.7
89.02460	1.2
98.19901	1.6
107.01396	2.1
110.99821	0.7
114.04360	0.8
125.02444	0.9
132.02196	1.5
145.02966	1.2
151.00410	4.0
163.00385	1.5
164.01111	1.1
175.03967	1.6
178.99910	1.6
187.04002	1.2
190.06364	1.0
195.06693	0.8
201.73029	0.9
207.43030	0.8
211.04048	1.3
227.03485	38.6
228.03917	3.0
229.05045	3.7
239.03529	1.0
241.04970	1.0
255.02986	75.0
256.03528	8.7
257.04437	2.3
263.06973	1.1
269.08081	1.2
279.06662	1.2
281.08139	2.6
283.09637	0.9
284.03262	100.0
285.03937	24.3
286.04352	1.8
293.08023	1.7
297.07785	4.6
297.10867	1.1
309.07657	8.9
309.11200	2.0
310.07907	1.3
312.10028	4.4
323.09079	1.9
324.10022	11.5
327.12387	13.9
328.12692	1.2
339.12360	34.8
340.12738	3.2
431.73325	0.9
516.05200	0.9
561.12317	1.4
635.23523	1.3
647.23322	4.5
648.22668	1.0
665.24518	3.9
666.24615	1.1
725.19373	72.3
726.19751	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	725.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
57.03446	0.5
59.01383	11.7
61.98831	36.3
62.57154	0.4
71.01387	5.8
71.55851	0.6
73.02950	2.0
81.03431	0.6
83.01402	1.8
85.02961	2.6
87.00898	0.6
88.98816	0.7
89.02426	1.0
93.03465	0.8
95.01411	0.9
97.02921	0.6
99.00882	1.0
101.01790	0.6
101.02453	6.0
111.00868	0.5
113.02455	3.1
115.05526	1.2
117.03468	1.7
117.07169	0.6
119.05081	1.2
120.35960	0.4
121.02973	0.6
123.04507	0.7
125.02453	1.3
127.00356	0.5
133.06531	0.6
136.01619	0.9
136.12891	0.4
137.02461	1.0
141.01930	0.5
143.03439	0.6
145.02957	4.3
151.03966	1.5
156.91521	0.4
159.02939	0.6
161.04539	3.1
161.06090	1.4
163.04012	2.7
175.00244	0.5
181.20390	0.5
185.04567	0.6
187.03978	1.7
190.02754	1.4
205.05092	2.0
213.05553	12.6
214.05974	0.9
223.06238	0.6
223.08217	6.3
229.03526	3.5
241.05061	39.6
242.05357	3.3
255.06628	1.7
256.07404	88.3
257.07709	7.3
265.09216	2.3
271.09750	100.0
272.10098	8.6
281.06860	0.6
291.07224	9.0
325.09387	0.5
367.10254	1.8
393.08490	0.5
399.16574	1.0
415.13693	0.9
433.15012	62.2
434.15341	7.4
440.07672	0.4
453.12271	0.8
501.13898	8.0
502.14359	1.1
725.23749	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.6
61.98832	31.0
64.45370	0.9
69.72777	1.0
71.01384	14.8
71.46760	1.0
71.56163	1.0
73.02940	3.4
75.00869	1.1
83.01388	2.6
85.02953	6.8
87.00871	2.3
88.12094	1.1
89.02454	5.9
91.01884	2.1
93.03461	2.3
95.01386	1.3
96.51752	1.0
101.02448	7.4
109.02955	1.2
113.02451	6.3
117.03481	1.1
119.01406	6.6
119.03499	1.1
119.05019	11.4
121.02962	6.8
123.04507	2.2
124.01647	1.8
125.02400	2.6
132.02179	3.4
134.03691	4.0
135.04591	1.9
136.01663	46.4
137.02391	3.0
143.04948	1.0
145.02899	3.9
147.00851	3.4
147.04498	1.0
149.02435	13.6
149.06215	1.1
150.03198	1.8
150.97063	1.0
151.04008	45.0
152.01099	1.2
152.04335	2.6
153.01926	1.2
160.01662	9.9
160.05182	1.0
161.02541	1.4
161.04524	1.7
161.06012	1.0
162.03220	1.2
163.03999	13.7
164.04805	15.2
165.01903	1.6
165.05261	1.1
166.02669	1.9
168.00758	1.1
174.01892	1.1
175.00365	31.0
175.03955	9.5
175.07619	1.2
176.00887	2.1
176.04623	1.7
177.05542	1.0
179.03482	2.0
179.05673	1.4
179.07161	4.1
181.05092	1.8
187.03964	3.1
188.04324	1.1
189.01880	1.1
190.02716	79.2
191.03065	6.1
191.07207	1.8
193.01405	1.2
193.05019	2.9
203.07144	1.5
205.05054	78.3
206.05408	4.7
207.17616	1.1
208.03741	2.5
209.04524	1.7
212.43858	1.0
223.06107	16.8
259.09811	1.3
279.06802	1.2
285.09888	1.1
309.66058	1.0
312.09976	1.3
325.09467	1.5
327.12317	9.9
337.09286	10.7
341.10840	3.6
342.11053	2.2
343.11826	5.0
344.12201	1.1
353.08716	1.3
357.13431	16.8
358.13678	2.1
359.28168	1.2
367.10324	100.0
368.10681	11.2
373.12891	2.4
383.16986	2.4
393.08142	1.9
399.16370	1.3
409.09698	3.2
503.32446	1.4
521.33240	2.2
546.60150	1.1
586.05579	1.0
665.37592	25.1
666.38251	3.0
725.24493	38.9
725.36981	1.6
726.24915	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	725.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.8
59.01374	26.6
60.09472	1.1
61.98831	87.7
69.03454	1.6
69.38203	2.5
69.38612	8.3
71.01379	26.9
72.99305	2.2
73.02950	4.0
75.00893	1.7
83.01384	5.4
85.02967	9.3
87.00903	2.9
88.98801	7.4
89.02443	11.1
91.01882	2.1
91.05498	1.3
93.03434	3.4
95.01373	3.4
97.02969	1.8
99.00896	2.9
101.02448	18.7
105.01967	1.6
109.02940	1.9
111.94679	1.2
113.02457	12.1
115.00356	1.9
115.05548	7.1
117.03422	2.0
117.07100	2.7
119.01395	5.8
119.03503	3.0
119.05024	14.6
121.02966	5.8
123.00955	1.5
123.04529	5.5
124.01630	1.8
125.02435	8.9
132.02176	1.5
133.02972	1.4
134.03749	3.2
135.04538	3.2
136.01668	5.0
137.02504	3.0
137.06160	1.3
139.00385	1.4
143.03473	3.1
145.02950	3.8
147.00874	4.0
147.04535	1.4
148.51505	1.3
149.02457	12.2
149.26413	1.4
149.99574	2.9
151.04015	8.1
152.01231	1.7
159.03041	1.5
160.01663	5.7
161.02458	1.8
161.04546	9.2
161.06079	9.9
163.04019	18.2
164.04771	16.9
165.05565	3.2
168.00632	7.1
175.00352	33.1
175.02637	1.9
175.03934	9.1
176.00792	1.4
179.05698	3.4
179.07146	3.3
180.04285	2.3
187.04002	16.0
190.02716	86.6
191.03218	5.9
193.05014	2.6
195.04982	1.9
195.06622	3.2
205.05048	84.4
206.05348	4.8
209.86406	1.6
213.05550	1.6
222.05251	2.6
223.06058	15.9
235.07736	2.1
241.05070	5.1
242.05457	3.3
247.06090	2.3
255.06639	3.0
256.07376	9.8
257.07681	7.4
258.08035	3.3
261.05637	1.7
263.07190	3.3
268.07349	2.0
269.08182	3.7
269.10663	2.0
271.09686	7.5
272.10175	4.8
273.10480	2.7
279.06686	3.3
281.08197	5.2
291.06555	1.5
293.08170	2.6
296.10635	2.0
297.07712	17.5
297.10959	2.2
309.07700	24.0
309.11292	7.0
310.08078	3.0
312.10019	13.4
313.10590	2.2
323.09323	6.1
324.10056	13.6
325.10693	1.8
327.12332	25.4
328.12762	2.3
331.06726	9.7
337.05658	1.3
337.09332	8.2
339.08652	2.9
339.12350	19.1
340.12686	2.6
341.10907	8.6
342.10922	2.2
353.08810	2.2
357.13449	12.4
367.10306	100.0
368.10654	9.9
383.17178	4.5
393.08249	2.5
399.05756	3.3
399.16580	1.8
409.09872	4.0
439.19339	1.9
455.19482	2.4
563.18909	1.9
580.21149	1.8
581.21484	8.7
623.22424	4.2
665.38708	2.0
725.24548	60.6
725.36511	3.1
726.24762	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	725.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96391	2.2
59.01376	10.5
61.21288	2.5
71.01401	3.5
71.04887	4.6
76.88160	2.6
84.42892	2.4
88.92894	2.6
89.02467	2.7
92.04909	2.8
94.83141	2.4
100.93803	2.5
101.02447	5.9
121.02930	3.5
175.03967	3.9
203.07173	3.1
263.07025	2.7
269.07941	4.0
279.06497	3.7
281.08191	9.3
293.08347	3.4
294.09131	3.0
296.10428	2.6
297.07489	17.6
297.10568	2.9
309.07690	31.3
309.11041	4.8
310.08194	4.4
311.09616	3.0
311.12860	3.6
312.09937	17.0
323.09274	7.2
324.09985	42.1
327.12436	50.2
328.12451	4.9
339.12375	100.0
340.12701	15.3
341.13718	2.8
435.58438	2.8
579.86456	3.0
647.23071	13.8
648.23376	4.3
665.24585	12.7
666.24432	3.2
670.73401	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	725.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25090	1.1
57.03443	3.9
58.00603	2.4
59.01381	100.0
59.94341	1.4
61.98830	48.4
69.03455	3.4
69.81124	4.6
69.81542	2.3
71.01381	84.3
72.99297	4.0
73.02951	15.4
75.00880	2.6
79.32361	1.3
81.03435	1.8
83.01382	14.1
85.02952	22.4
87.00866	9.4
88.98808	1.5
89.02443	68.9
95.01395	9.1
97.02973	3.8
99.00886	6.3
101.02448	49.8
103.00352	5.1
106.06612	1.5
111.00851	2.1
113.02449	45.1
114.02819	1.6
116.92818	1.9
118.12891	1.4
118.69096	1.3
119.03500	24.8
119.05016	1.4
121.02961	1.9
123.04536	2.1
123.08498	1.5
124.01663	2.6
125.02448	6.8
127.00396	2.9
129.01852	1.5
131.03477	5.6
135.04515	1.8
139.03986	2.6
141.02000	1.8
143.03496	10.2
145.02953	1.6
149.04521	3.0
155.03474	1.5
159.03052	2.1
160.01637	1.5
161.04553	23.5
163.04010	3.1
175.00357	3.5
178.06375	2.4
179.05617	18.7
179.07036	2.3
185.04543	1.9
187.03969	2.3
190.02730	6.5
193.08685	3.7
199.02501	2.0
203.05653	4.2
205.05031	6.6
224.38327	1.4
229.03453	2.9
247.04576	3.2
271.04556	3.2
271.09787	1.3
305.08694	4.8
309.07617	2.8
315.18134	7.6
316.18665	1.4
319.06528	1.9
323.09714	8.4
324.09900	1.8
327.12387	2.9
339.12164	2.2
341.10873	98.2
342.11200	7.9
365.10770	3.1
367.10315	6.8
369.07962	2.5
383.12543	1.6
383.17072	37.0
384.17371	3.7
409.09866	80.3
410.10074	6.3
512.23718	1.3
725.24750	4.8
725.35980	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22291	1.2
59.01100	2.6
59.01384	38.3
59.58631	1.4
61.10981	1.3
61.98824	5.0
69.03455	1.7
71.01385	27.2
73.02948	4.6
76.03893	1.4
83.01418	3.8
85.02955	5.8
87.00325	1.3
87.00867	6.4
89.02448	27.0
95.01377	3.0
97.02962	4.3
99.00881	4.1
101.02441	20.8
113.02458	11.3
119.03496	8.8
121.02961	1.6
125.02461	11.4
131.03577	1.7
143.03508	4.0
154.92288	1.4
161.04539	7.3
179.05621	5.2
203.50108	1.3
211.13199	1.5
221.06726	3.0
229.47575	1.8
229.49780	1.4
235.08263	9.8
253.09355	1.8
267.23285	92.1
268.23682	8.6
287.07672	3.6
305.08716	4.7
379.12192	1.6
397.13501	100.0
398.13821	8.6
415.14612	29.3
416.14783	3.5
665.36749	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	726.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71589	0.4
59.01375	1.1
61.98831	100.0
64.56384	0.3
70.68340	0.9
119.03612	0.3
141.68709	0.3
168.15703	0.3
170.54942	0.3
197.11858	0.5
251.26173	0.3
253.09045	0.3
437.51324	0.4
667.60254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.8
61.98828	100.0
62.98535	0.2
65.73459	0.1
71.01389	0.4
73.02935	0.2
82.95443	0.1
85.02954	0.3
89.02440	0.3
98.19830	0.3
101.02454	0.5
113.02507	0.2
123.04512	0.3
125.02397	0.1
125.06415	0.1
134.03801	0.1
137.02446	0.1
144.83160	0.1
145.02925	0.2
161.04619	0.3
161.06187	0.2
163.03888	0.1
170.78285	0.1
180.42902	0.1
187.03972	0.2
213.05614	0.4
214.05838	0.2
223.08215	0.2
224.08562	0.1
229.03604	0.2
241.05070	1.3
242.05420	0.9
256.07401	2.7
257.07721	2.3
257.10132	0.1
258.07895	0.1
271.09756	3.3
272.10092	2.7
272.12839	0.2
273.10532	0.2
291.07059	0.3
292.07504	0.2
348.22437	0.1
355.38672	0.1
402.92874	0.1
433.15027	1.4
434.15454	2.1
435.15726	0.2
501.14362	0.2
502.14566	0.3
565.21136	0.3
664.35858	0.1
726.41248	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	727.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03478	0.3
59.01381	10.5
59.42772	0.3
61.66159	0.3
61.98831	13.1
67.01888	0.6
67.67960	0.3
71.01379	4.3
71.18591	0.7
72.99318	0.4
73.02964	1.0
75.00888	0.7
81.03440	0.7
83.01382	2.2
85.02953	1.6
87.00897	0.4
88.98830	0.4
89.02457	1.0
95.01367	2.6
96.99294	0.4
99.00878	0.8
101.02420	2.0
108.02150	0.6
109.02949	0.3
110.00156	0.6
111.00896	3.2
113.02432	1.7
115.05549	0.9
117.03425	0.4
119.05020	0.4
121.02969	2.4
123.00888	42.7
123.04531	2.8
124.01667	87.7
125.01920	2.2
137.02486	0.6
137.99599	0.9
138.03232	9.6
139.00455	2.6
139.04015	100.0
140.04352	3.8
143.03496	0.4
145.02965	0.4
149.02390	1.0
150.03137	0.6
150.45451	0.3
153.01953	1.1
161.04561	1.5
161.06050	0.5
162.03200	0.6
163.03998	1.3
165.05482	0.7
166.02652	0.4
179.03514	0.6
180.04257	1.0
181.05112	2.4
187.03999	1.6
193.05034	1.2
195.06613	1.0
203.05608	2.2
223.06111	0.7
257.08051	0.4
263.06857	0.3
281.08203	1.3
283.08176	1.0
291.06299	0.4
297.07510	0.6
301.09293	0.9
309.07690	2.8
323.09488	0.5
324.09869	1.3
327.12369	1.0
339.12350	3.0
343.10300	6.4
344.10666	0.4
350.42029	0.4
357.13129	0.4
387.20242	0.4
475.12210	0.3
727.40924	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	14.4
61.23500	0.3
61.98840	0.5
71.01379	1.4
71.03838	0.4
71.04185	0.6
73.02941	0.5
78.67934	0.3
83.01400	0.3
85.02934	0.3
87.00854	0.3
89.02457	1.3
101.02438	1.4
113.02447	0.7
125.09698	0.7
125.58823	0.3
127.11295	1.0
161.04599	0.7
171.10266	100.0
172.10612	5.4
179.05605	0.4
235.08221	2.2
253.09288	5.8
277.21713	50.3
278.22046	5.1
407.19232	2.7
408.20090	0.4
513.31476	0.4
736.28021	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66468	0.4
59.01380	19.1
61.98849	0.5
62.48750	0.4
70.11155	0.7
70.11543	0.8
71.01371	1.8
73.02953	0.5
76.69387	0.3
82.24542	0.3
82.29286	0.3
85.02967	0.5
87.00872	0.6
89.02464	1.8
101.02448	1.9
113.02471	1.2
119.03480	0.4
125.09745	0.4
127.11274	1.6
145.05095	0.5
153.09299	0.4
161.04527	0.7
171.10266	85.2
172.10612	4.1
182.42484	0.4
206.38927	0.4
220.75523	0.4
235.08241	3.7
253.09277	7.2
259.20346	0.4
277.21710	100.0
278.22052	10.5
370.24918	0.3
407.19226	1.3
510.44034	0.4
513.30865	1.0
535.30505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00604	1.2
59.01382	36.5
61.98831	100.0
71.01391	9.6
71.56112	1.7
72.99306	2.4
73.02953	3.3
83.01371	1.4
85.02969	8.5
89.02438	6.1
101.02454	9.5
103.04016	5.5
113.02486	2.3
119.03533	2.0
121.60259	1.3
123.04485	1.2
125.02438	1.3
152.01073	1.3
163.06094	2.6
213.05562	16.6
241.05069	41.2
242.05382	2.3
255.06726	11.3
256.07416	88.4
257.07809	6.8
270.09000	2.5
271.09744	82.6
272.10117	7.2
404.41364	1.1
415.14197	2.9
475.16223	14.2
476.16663	2.4
561.19733	4.5
579.21399	6.0
580.20813	1.7
594.36041	1.3
621.21851	86.2
622.22443	14.3
654.79999	1.2
656.57990	1.2
668.40234	1.5
700.69641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
59.02936	0.3
61.98831	100.0
70.55190	0.3
70.55522	0.9
71.01396	0.5
88.98779	0.4
92.87682	0.3
108.27674	0.4
115.00350	0.3
125.02419	0.3
128.12010	0.3
135.03055	0.4
144.76923	0.3
147.75478	0.3
300.33374	0.4
409.09686	0.4
436.24075	0.3
488.03912	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08539	0.3
59.01385	0.6
60.03785	0.3
61.98830	100.0
69.26121	1.5
69.26546	1.1
71.01381	0.4
85.20155	0.3
88.98846	0.4
101.02481	0.4
106.00483	0.3
119.26075	0.3
143.80850	0.3
150.03218	0.3
161.02451	0.3
175.02551	0.4
188.47675	0.3
326.10611	0.3
340.12750	0.5
417.23923	0.3
617.78851	0.3
653.86505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
61.98832	100.0
71.01397	0.8
73.02939	0.2
77.59230	0.2
85.02978	0.6
87.44053	0.2
88.98819	0.3
89.02452	0.4
96.96007	0.3
101.02452	0.8
105.91963	0.2
112.66499	0.2
113.02460	0.4
115.05545	0.6
117.07095	0.2
119.05029	0.4
121.41104	0.2
125.02492	0.3
135.00882	0.2
143.03461	0.2
145.02937	0.5
161.04619	0.3
161.06099	0.3
165.05551	0.3
167.03603	0.3
175.02400	0.3
183.08163	0.3
184.08627	0.2
187.04004	0.8
210.00064	0.2
226.06546	0.6
227.07089	2.3
228.07442	1.5
309.58817	0.2
367.11853	0.3
389.12482	0.5
390.13071	0.6
431.13968	0.3
457.11493	0.7
458.11609	1.2
478.89407	0.3
728.40430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
61.98832	100.0
71.01397	0.8
73.02939	0.2
77.59230	0.2
85.02978	0.6
87.44053	0.2
88.98819	0.3
89.02452	0.4
96.96007	0.3
101.02452	0.8
105.91963	0.2
112.66499	0.2
113.02460	0.4
115.05545	0.6
117.07095	0.2
119.05029	0.4
121.41104	0.2
125.02492	0.3
135.00882	0.2
143.03461	0.2
145.02937	0.5
161.04619	0.3
161.06099	0.3
165.05551	0.3
167.03603	0.3
175.02400	0.3
183.08163	0.3
184.08627	0.2
187.04004	0.8
210.00064	0.2
226.06546	0.6
227.07089	2.3
228.07442	1.5
309.58817	0.2
367.11853	0.3
389.12482	0.5
390.13071	0.6
431.13968	0.3
457.11493	0.7
458.11609	1.2
478.89407	0.3
728.40430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57711	0.2
59.01378	0.4
61.98830	100.0
69.37860	1.6
71.89251	0.2
75.79869	0.2
78.95925	0.3
88.98801	0.3
98.19917	0.5
102.73383	0.2
111.60701	0.2
121.02982	1.1
209.04617	0.9
406.55841	0.3
444.94019	0.2
604.75623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03449	2.1
59.01382	27.4
61.98830	47.9
64.94693	0.7
69.03468	0.9
71.01379	16.8
72.99302	0.8
73.02958	5.3
75.00881	1.6
80.80060	0.6
82.71902	0.8
83.01385	3.1
83.04998	1.2
85.02956	6.9
87.00870	1.6
89.02451	5.3
91.05534	3.5
95.01381	2.4
97.02937	1.1
98.19819	0.9
99.00883	3.2
99.04488	1.0
101.02448	7.7
109.02961	1.1
113.02445	7.4
115.05556	7.7
116.05878	0.8
117.03485	0.9
117.07094	5.5
119.03495	1.8
119.05016	3.7
121.02941	3.5
122.03746	1.6
123.04480	1.0
124.01698	0.8
125.02474	1.5
133.06618	5.8
135.04500	1.4
137.02423	1.0
143.03497	0.9
145.02942	2.0
147.04491	1.5
148.80913	0.6
150.03177	0.7
153.01921	0.9
154.02608	0.7
161.04611	1.8
161.06079	12.9
162.06372	1.0
163.04022	7.2
165.05594	7.3
168.04263	1.2
179.05679	0.8
179.07117	2.4
186.59848	0.7
187.04010	11.3
188.04384	1.0
197.05179	0.6
205.05064	1.4
211.13425	1.1
303.23367	10.2
319.22818	3.3
346.14081	3.1
361.16565	58.0
362.16895	8.1
463.26901	1.9
466.12970	0.6
481.27975	6.4
482.28430	1.1
523.29089	100.0
524.29437	17.3
545.18170	2.0
669.41711	0.8
721.49365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47760	19.3
61.98827	100.0
62.70271	20.9
70.82491	35.8
70.82837	34.3
75.60626	22.3
79.95739	21.0
96.25401	20.3
175.33530	27.6
197.11839	26.2
216.64836	24.8
217.44923	22.0
227.60304	25.5
277.21722	29.6
279.23279	27.6
288.14197	25.6
310.75372	21.7
435.50787	22.4
721.73914	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07207	0.4
61.98833	100.0
62.95410	0.4
69.03418	0.5
70.41468	1.5
70.41823	0.4
85.02979	0.5
88.98817	1.1
115.05559	0.7
117.03510	1.0
119.05032	10.9
120.05341	0.6
143.87953	0.4
145.02962	3.7
161.06108	0.7
163.04022	9.6
164.04361	1.0
165.05540	0.7
170.83516	0.5
187.04120	0.9
216.41829	0.4
341.10544	0.6
488.71609	0.5
521.18280	0.8
667.21747	4.6
668.22717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22468	0.2
52.88500	0.2
55.51353	0.2
59.01383	0.3
59.79374	0.2
61.98832	100.0
62.57236	0.2
62.98527	0.3
67.32152	0.2
71.03618	0.4
79.72922	0.2
87.52249	0.2
88.98783	0.2
113.54987	0.2
117.03502	0.6
119.05047	2.0
127.38354	0.2
145.02956	2.0
161.06079	0.3
163.03978	2.0
165.05627	0.5
205.05136	0.3
246.46988	0.2
347.04352	0.2
439.94464	0.2
667.21802	5.3
668.22192	0.9
730.45422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
61.98832	100.0
62.98540	0.3
63.99249	0.2
71.01401	0.4
71.07621	0.3
85.02963	0.2
89.02473	0.3
96.81217	0.2
98.14355	0.1
101.02463	0.3
113.02457	0.3
120.30243	0.2
136.23779	0.1
138.05479	0.1
153.43098	0.1
164.09183	0.1
165.10358	0.1
187.03931	0.1
311.35812	0.2
338.26801	0.2
443.17911	0.2
451.59634	0.2
454.09158	0.2
546.66302	0.1
605.86414	0.1
627.34143	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67457	0.1
59.01382	0.2
61.98829	100.0
62.98529	0.2
68.34816	0.1
69.40282	1.1
75.55379	0.1
80.96562	0.1
98.19884	0.3
99.03038	0.1
112.17411	0.2
119.86554	0.1
171.10248	0.7
172.10597	0.4
173.10812	0.2
277.21671	0.4
278.22156	0.3
355.35925	0.1
548.16003	0.2
603.83850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48670	0.2
59.01366	0.2
61.98829	100.0
69.51476	1.0
74.60882	0.1
75.19328	0.1
98.19910	0.3
154.24960	0.2
170.87097	0.1
171.10281	0.3
172.10609	0.2
172.88132	0.2
277.21890	0.4
278.22198	0.4
278.57071	0.1
279.22571	0.2
359.19226	0.2
507.81247	0.2
556.87134	0.2
633.32013	0.2
748.13342	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64440	0.2
55.21690	0.3
59.01379	11.8
60.07349	0.3
61.98830	4.8
69.97520	0.8
69.97928	0.6
71.29408	0.3
85.02955	0.4
87.00853	0.2
88.98805	1.0
91.05534	8.8
92.05881	0.3
93.03451	0.5
97.02956	0.2
99.51846	0.3
101.02445	0.3
109.72409	0.3
115.05537	2.5
117.07108	45.3
118.07436	2.2
119.05049	0.6
121.06615	0.6
125.02444	0.6
133.06601	5.9
135.04547	1.0
143.03502	1.1
143.05077	0.4
161.06079	100.0
162.06427	4.9
163.03995	5.2
165.05566	8.6
166.05901	0.2
177.01947	0.6
177.05554	0.6
177.73279	0.2
179.07118	0.7
185.04591	0.4
187.02475	0.4
187.04027	3.5
205.05051	58.0
206.05388	3.5
207.06593	1.0
219.06601	0.6
231.94598	0.3
232.68599	0.2
233.21442	0.3
237.07677	5.0
238.08052	0.4
244.99812	0.3
359.63428	0.3
373.12799	0.3
421.66641	0.3
731.21899	2.6
732.21973	0.5
738.78540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.9
61.98831	2.5
69.20805	1.4
69.21232	1.9
71.01394	0.4
72.99326	0.4
73.03000	0.4
85.02950	0.8
88.04031	0.3
88.98801	1.4
91.05536	6.3
93.01149	0.4
104.73553	0.3
115.05527	2.1
117.07104	46.5
118.07439	2.0
125.02425	0.6
133.06595	5.0
135.04512	0.7
143.03510	0.7
143.05087	0.4
161.06078	100.0
162.06419	5.6
163.04021	4.8
165.05464	0.4
177.05548	0.6
185.04544	0.8
187.04024	2.4
199.22365	0.3
205.05048	61.8
206.05380	3.2
219.06659	0.9
228.78464	0.3
237.07660	4.7
238.08020	0.4
250.03459	0.4
266.13373	0.4
300.41214	0.3
314.42877	0.4
522.33356	0.4
731.21680	2.6
732.22986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.5
61.98832	18.3
65.87029	0.4
69.03465	1.5
71.01385	3.3
73.02975	0.6
75.00874	0.4
79.01894	0.6
81.03477	1.1
83.01409	1.9
85.02969	1.6
85.75390	0.4
87.00903	0.7
88.98847	0.8
89.02467	0.7
92.05078	0.4
95.01401	1.8
97.02971	2.4
101.02458	1.2
102.12809	0.4
107.01392	1.3
108.02206	0.7
109.02956	0.8
112.49579	0.4
113.02458	1.8
119.03521	0.5
123.00901	4.6
123.04553	1.2
124.01669	10.6
125.02449	47.8
126.02800	1.5
135.03055	0.7
137.02438	1.9
145.02898	0.5
149.02408	1.1
149.99588	21.3
151.00426	2.8
151.04051	0.5
152.00702	0.5
161.04550	1.0
165.01973	0.8
165.05576	0.9
167.03481	2.8
168.00639	53.8
169.01404	5.9
175.02408	0.5
179.07135	0.6
193.01408	0.7
195.06705	0.6
229.22366	0.4
241.05115	1.6
256.07574	1.0
271.09805	2.3
285.03976	0.7
285.12714	0.4
313.05615	8.0
314.06110	0.6
331.06693	100.0
332.07040	6.7
399.00323	0.8
399.05664	22.8
400.05917	1.6
731.23999	24.2
732.24390	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	731.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01379	5.5
61.98831	24.6
69.03471	1.8
69.23740	5.7
71.01385	5.5
72.11095	0.5
73.02986	0.8
75.00871	1.2
77.47033	0.6
81.03450	1.0
81.77936	0.6
83.01402	1.8
85.02965	2.0
87.00853	0.7
88.98814	0.8
89.02456	2.0
95.01410	1.5
97.02942	1.6
99.83060	0.6
101.02448	2.4
107.01388	1.4
108.02202	0.9
109.02959	0.8
113.02467	2.0
118.18890	0.6
119.03527	0.9
119.04991	0.6
119.73518	0.6
121.03026	0.8
123.00890	4.7
123.04556	2.0
124.01674	10.3
125.02448	45.9
126.02810	1.2
135.03017	2.6
137.02448	1.9
139.00349	0.6
146.03709	0.6
149.02434	0.6
149.99583	19.9
150.03256	0.8
151.00406	2.8
151.03998	1.6
161.04568	1.1
163.03999	0.8
163.06122	0.9
165.01950	1.0
165.05594	1.5
167.03526	3.5
168.00638	50.6
169.01384	6.3
169.05110	0.8
172.94284	0.6
175.04036	0.7
179.07120	0.7
187.04150	0.6
191.03577	0.7
195.06622	1.7
213.05576	0.6
241.04964	2.9
242.05437	0.6
256.07437	2.5
271.09839	4.1
287.07840	0.7
310.47342	0.6
313.05603	7.0
319.11725	1.4
331.06696	100.0
332.06967	8.0
399.05634	21.6
399.16425	1.0
400.05875	1.8
403.19769	0.6
731.23993	26.1
732.23834	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	731.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	12.9
61.98830	32.5
65.92461	0.3
69.38921	2.6
71.01392	0.7
85.02960	1.3
88.98827	0.9
91.05524	3.0
93.03457	6.0
97.02994	0.5
99.04527	0.5
103.87679	0.3
108.02205	0.3
113.02460	1.0
115.05534	30.4
116.05879	1.5
117.03466	0.9
117.07104	6.9
119.05021	4.9
119.05807	0.5
120.05369	0.7
121.06591	6.4
125.02434	2.6
133.06596	4.1
135.04518	1.5
139.04054	1.1
143.03482	1.6
143.05031	9.1
147.08183	0.4
149.02434	0.8
155.03532	0.7
161.06073	17.4
162.06454	0.9
163.03989	4.2
164.04416	0.5
165.05563	100.0
166.05869	3.8
175.04022	0.3
175.07701	1.5
177.01923	4.5
177.05536	1.1
178.02692	1.4
179.05528	0.4
179.07118	8.5
180.04346	0.5
180.07492	1.1
185.04568	3.5
187.03996	47.3
188.04367	2.7
192.04272	4.7
192.07889	0.6
193.05101	2.0
195.06592	1.2
205.05049	6.3
206.05316	0.4
207.06610	12.4
208.06981	0.8
209.08208	0.6
219.06612	18.6
220.06914	0.9
223.06084	3.9
245.06638	0.8
253.84918	0.3
261.61533	0.3
265.07120	0.5
274.25162	0.4
313.10794	1.1
313.30878	0.4
340.32556	0.3
343.11819	0.9
355.11850	0.8
373.12814	3.2
411.14139	0.5
419.83817	0.4
451.12329	0.5
547.19696	1.9
565.20624	0.8
583.21320	0.5
731.26227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
58.00597	0.4
59.01378	18.5
60.01705	0.3
61.98830	100.0
62.98531	0.4
63.99253	0.4
71.01380	11.7
71.56168	0.3
71.56593	0.6
72.99308	1.0
73.02946	4.6
77.36781	0.3
81.35835	0.3
82.51562	0.3
83.01377	1.8
85.02962	3.7
87.00897	1.1
89.02448	7.2
95.01398	1.5
99.00886	0.5
99.92598	1.2
101.02436	7.7
101.28776	0.3
108.02135	0.4
113.02438	7.2
115.05555	1.3
115.92079	0.9
116.74992	0.4
116.92861	3.3
119.03493	3.1
119.04991	0.5
121.02908	0.7
121.08578	0.3
129.34804	0.3
131.03534	0.6
136.01630	0.5
143.03517	1.5
149.02417	0.8
149.04587	0.4
150.03206	1.6
151.04024	0.7
161.04573	3.0
161.06050	0.9
163.04051	1.0
165.05559	2.0
179.05634	2.9
187.04028	2.4
193.05109	0.4
195.06699	1.0
196.57825	0.3
265.74725	0.3
271.10031	0.5
287.06030	0.4
327.12451	0.3
331.17508	0.5
357.13385	0.4
363.62527	0.3
369.92514	0.3
399.16205	0.4
435.13052	0.4
457.41513	0.3
465.28726	1.1
477.30966	1.0
483.29733	0.8
517.18951	0.4
627.33899	4.7
628.34613	1.0
645.34949	6.8
646.35284	1.4
687.36560	1.0
688.36279	0.4
713.26062	0.4
731.23364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
61.98832	100.0
69.48567	0.3
73.82213	0.3
88.98819	0.9
91.05565	0.4
93.03470	1.1
115.05530	0.4
115.15372	0.3
117.07100	1.5
118.07452	0.6
119.05051	1.0
120.05332	0.3
121.06574	1.5
133.06598	0.4
135.04605	0.5
139.04074	0.4
143.69432	0.3
145.02945	0.3
155.02765	0.2
161.06096	3.0
162.06387	1.3
163.04033	1.4
165.05580	18.7
166.05913	5.5
177.02022	0.5
177.05643	0.3
177.63997	0.3
178.02550	0.3
179.07196	1.6
180.07462	0.5
187.04105	0.7
188.04433	0.4
189.19057	0.3
192.04343	0.9
193.04866	0.4
195.06578	0.3
205.05072	1.7
206.05370	0.7
207.06606	2.5
208.07072	0.7
211.13380	0.5
219.06462	0.4
314.11157	0.3
373.12872	0.3
374.13303	0.5
396.03204	0.3
414.75095	0.3
548.20477	0.3
669.23486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
60.99313	1.0
61.98831	100.0
71.55390	0.7
72.99301	0.6
80.14150	0.5
80.80425	0.5
87.68646	0.5
88.98804	5.7
105.36559	0.6
119.05037	4.9
139.04036	1.6
145.02963	0.9
153.68961	0.6
161.00194	0.6
163.03990	6.5
211.13409	0.8
289.54202	0.6
292.73050	0.6
335.41516	0.6
341.10211	2.7
360.97717	0.5
386.01572	0.6
428.42584	0.6
624.15277	0.7
669.24542	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24481	0.3
59.01383	2.0
60.66745	0.3
61.98829	100.0
69.26627	2.0
69.27032	0.8
88.98813	1.1
93.03466	1.4
95.05067	0.3
98.19908	0.5
115.05558	1.3
116.05902	0.6
119.05031	2.0
120.05358	0.3
121.06585	1.5
126.63957	0.3
139.04065	0.6
145.02995	0.4
161.06149	0.7
163.04008	3.1
164.04337	0.4
165.05574	18.3
166.05914	5.2
177.02010	0.4
179.07120	1.6
180.07494	0.4
187.04022	1.9
188.04381	0.5
192.04387	0.7
193.04980	0.4
205.05055	0.5
207.06648	1.5
208.06932	0.7
211.13458	0.3
219.06671	1.1
220.06906	0.3
301.00601	0.3
341.10257	0.6
489.03845	0.4
591.53809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35180	0.3
53.98795	0.3
59.01361	0.3
61.98831	100.0
69.22550	0.9
69.22978	1.7
88.98815	0.4
96.24844	0.2
98.19843	0.5
106.20326	0.2
119.04987	0.6
163.03990	0.5
163.29773	0.3
224.51300	0.3
228.95222	0.3
307.49142	0.2
669.24072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98830	100.0
62.98519	0.2
63.99259	0.4
71.01384	1.8
71.56663	0.2
73.02946	0.6
83.01393	0.2
85.02967	0.6
87.00861	0.3
87.20576	0.1
89.02448	1.0
95.01389	0.2
101.02448	1.0
108.02172	1.0
109.03008	0.3
113.02457	0.7
115.05552	1.1
116.92832	0.3
117.07097	0.3
119.03547	0.4
119.05061	0.3
121.03017	0.2
123.04518	0.3
131.03468	0.2
145.02979	0.3
149.02417	0.2
150.03215	0.7
151.03960	0.2
151.55739	0.2
161.04622	0.5
161.06117	0.4
162.17575	0.2
163.04027	0.6
165.05571	0.6
179.05632	0.2
187.04013	1.2
195.06697	0.4
205.05112	0.3
327.12521	0.4
329.10413	0.2
420.16287	0.2
450.64545	0.1
473.14362	0.2
517.18573	0.2
628.34589	0.4
646.35535	0.7
669.40680	0.3
732.40857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98830	100.0
62.98519	0.2
63.99259	0.4
71.01384	1.8
71.56663	0.2
73.02946	0.6
83.01393	0.2
85.02967	0.6
87.00861	0.3
87.20576	0.1
89.02448	1.0
95.01389	0.2
101.02448	1.0
108.02172	1.0
109.03008	0.3
113.02457	0.7
115.05552	1.1
116.92832	0.3
117.07097	0.3
119.03547	0.4
119.05061	0.3
121.03017	0.2
123.04518	0.3
131.03468	0.2
145.02979	0.3
149.02417	0.2
150.03215	0.7
151.03960	0.2
151.55739	0.2
161.04622	0.5
161.06117	0.4
162.17575	0.2
163.04027	0.6
165.05571	0.6
179.05632	0.2
187.04013	1.2
195.06697	0.4
205.05112	0.3
327.12521	0.4
329.10413	0.2
420.16287	0.2
450.64545	0.1
473.14362	0.2
517.18573	0.2
628.34589	0.4
646.35535	0.7
669.40680	0.3
732.40857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.0
61.98830	100.0
62.99244	0.9
63.99258	1.5
69.24215	8.1
71.01386	8.3
72.99266	1.1
74.67593	0.9
75.00856	1.1
76.95375	0.7
79.51166	0.8
83.01419	0.9
85.02960	2.8
89.02445	1.9
91.05543	3.9
93.72586	0.8
101.02464	3.1
107.05046	2.5
109.79497	0.8
113.02455	3.4
115.00369	1.0
115.05567	4.6
116.92910	1.0
117.03453	6.4
117.07105	29.8
118.07439	1.5
119.03500	1.6
119.05043	1.3
121.02967	1.8
123.04519	1.4
125.02456	2.4
133.06593	13.1
134.06914	0.9
135.04504	1.3
143.03488	2.3
149.06108	5.5
159.04517	7.1
159.35225	0.9
161.04794	1.7
161.06075	52.4
162.06403	2.7
163.03984	1.3
165.09288	1.0
177.05542	15.9
179.03593	1.0
185.04585	2.5
187.03979	6.2
191.15504	0.9
203.03487	11.9
205.05052	52.6
206.05434	4.0
218.81662	1.0
221.04565	24.3
222.04974	1.2
239.05573	2.7
241.04942	1.1
256.07291	0.9
271.09506	1.6
331.17871	1.0
399.16904	1.6
400.17065	1.2
401.13812	1.1
409.15195	0.8
511.14526	12.6
512.14758	1.4
527.13739	4.0
733.20935	2.5
733.37408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.0
59.91877	0.3
61.98830	2.6
62.83709	0.2
71.01382	1.4
73.02930	0.5
85.02947	0.5
89.02439	1.0
101.02451	1.3
113.02389	0.6
122.73493	0.3
128.06824	0.3
161.04591	0.7
162.15054	0.3
167.14415	0.7
179.05605	0.5
183.13908	7.0
184.14217	0.4
193.12357	1.5
211.13383	100.0
212.11861	0.5
212.13736	6.2
223.05632	0.3
235.08258	1.7
253.09256	3.5
325.49823	0.3
387.25403	0.4
401.02795	0.3
405.26376	0.5
429.21063	1.4
447.22348	10.3
448.22687	1.0
623.34174	1.8
624.34906	0.4
641.35443	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	2.8
69.38355	9.3
97.64316	1.3
98.19928	3.2
110.71908	1.3
111.52431	1.3
131.14578	1.8
137.32030	1.4
156.19272	1.2
248.47823	1.4
276.42303	1.3
277.21735	8.5
278.22220	1.7
294.43912	1.5
340.03931	1.4
455.35278	100.0
456.35632	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	734.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98831	100.0
71.01398	0.4
94.06609	1.4
96.96038	0.3
100.25896	0.3
113.02448	0.3
122.81953	0.3
134.06143	0.3
146.43599	0.2
151.49890	0.3
163.90335	0.2
187.03984	0.3
203.63951	0.2
210.73357	0.3
241.13547	0.5
290.12228	0.3
401.11032	0.3
403.84308	0.3
595.25854	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98529	0.2
68.06805	0.1
70.87453	0.3
74.64730	0.1
143.20895	0.2
152.69751	0.2
165.05591	0.5
242.63380	0.2
645.04401	0.2
715.59875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21564	0.3
59.01381	1.7
60.23347	0.4
61.98830	100.0
69.44527	0.8
69.44943	1.7
71.01385	1.6
73.02967	0.6
74.02486	1.1
81.03457	0.3
82.95423	0.5
83.01379	0.6
85.02975	1.0
88.98817	0.9
89.02441	0.5
95.01397	0.4
101.02459	0.9
108.02177	0.7
109.03028	0.3
110.09752	0.3
113.02471	1.0
116.35234	0.3
116.92872	0.9
123.04539	0.8
123.14462	0.3
125.02426	0.7
131.89674	0.3
137.02512	0.6
147.04478	0.3
150.03258	0.8
152.01222	0.4
153.02023	0.4
161.02556	0.4
161.04539	0.7
163.04056	0.5
165.05589	0.7
168.00647	0.4
174.01604	0.3
175.02481	0.4
177.01976	0.3
179.11928	1.3
181.05054	0.4
191.03510	1.1
193.05136	0.4
223.10934	1.3
235.06129	0.7
255.03200	0.4
257.09714	2.6
285.04047	0.6
315.07303	0.5
331.06769	0.4
332.07190	0.6
338.66013	0.3
339.07266	0.8
399.16611	0.6
467.98679	0.3
638.35303	0.3
644.84070	0.4
648.61700	0.4
734.27264	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.4
61.98827	2.1
69.89207	3.6
69.89612	4.0
71.01385	20.4
85.02972	2.3
89.02447	25.9
89.73960	1.5
95.90597	2.0
97.39732	1.6
101.02446	11.6
113.02460	10.3
119.03498	12.6
161.04550	1.8
179.05624	10.8
225.22218	3.7
251.02145	1.6
271.22604	2.7
277.21719	2.9
296.25974	2.3
298.17841	1.6
393.71112	1.6
518.45697	15.7
519.45990	4.3
536.46844	7.3
537.47052	1.9
544.93542	1.6
698.52063	100.0
699.52490	24.6
734.49896	20.6
735.49945	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	736.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17487	0.1
59.01375	0.4
61.98831	100.0
62.98545	0.2
71.01392	0.2
77.34841	0.1
79.82201	0.1
98.19855	0.3
120.40473	0.1
164.06975	0.1
211.13412	0.6
212.13757	0.4
228.97868	0.2
324.07162	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	736.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.7
61.98830	100.0
71.55083	0.3
71.55520	0.4
76.91158	0.3
85.87457	0.3
180.76395	0.3
183.21585	0.3
186.72643	0.3
211.13544	0.6
243.36737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.23
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51163	1.0
57.03446	3.7
59.01381	82.3
60.01711	1.0
61.98832	37.6
69.03451	2.8
70.47153	0.9
71.01385	40.2
71.56899	1.7
72.99301	1.7
73.02951	24.9
75.00864	1.1
78.00717	0.9
81.03454	3.3
82.30437	1.1
83.01389	10.5
85.02952	34.3
87.00896	1.1
88.98798	1.4
89.02461	2.5
92.00138	1.0
95.01368	5.5
97.02953	7.0
99.00908	1.8
99.04508	2.6
101.02446	20.0
105.63692	1.0
113.02451	42.3
114.02760	1.3
115.05537	62.5
116.05887	3.0
117.03478	4.3
117.07116	23.2
118.07455	1.6
119.03535	1.2
119.05051	1.0
120.66563	1.0
121.02953	2.4
121.83328	0.9
123.04514	9.6
125.02457	12.8
131.03494	2.3
133.06631	1.4
143.03503	48.8
143.04971	6.1
149.02455	15.7
149.04488	2.9
155.03493	4.3
161.04643	4.5
161.06076	89.7
162.06404	4.7
163.04015	1.4
163.38452	0.9
165.05475	1.4
167.03554	1.1
174.01668	1.2
175.02463	1.2
185.04501	1.3
187.04001	100.0
188.04333	6.9
191.03474	2.2
195.06610	2.9
203.05617	5.9
205.05070	7.6
263.07327	1.3
285.04193	1.3
285.09805	3.6
323.11349	16.5
324.11752	1.2
326.79288	1.0
327.12460	1.1
345.11783	3.2
469.13327	5.7
473.14627	15.8
474.14865	2.1
501.75458	1.2
557.13068	1.8
584.68463	1.1
737.22699	6.7
738.22742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.4
59.01379	65.6
60.01691	1.1
60.38427	1.0
68.99777	1.0
69.03423	1.8
69.23265	1.7
69.23669	9.6
71.01382	29.7
73.02944	11.2
81.03463	1.6
82.97723	1.0
83.01378	3.2
85.02951	31.4
95.01379	3.0
97.02973	6.3
99.00882	1.1
99.04500	2.0
101.02441	7.2
113.01707	2.1
113.02451	31.1
114.02706	1.5
115.05537	59.3
116.05892	2.3
117.07104	26.1
123.04530	10.2
125.02446	7.7
131.03534	1.3
143.03497	37.2
143.04973	4.0
144.03835	1.6
155.03542	2.4
161.04837	3.2
161.06075	95.2
162.06429	4.8
187.04001	100.0
188.04311	5.4
203.05602	1.9
205.05180	5.9
205.06784	1.1
281.35236	1.0
285.09897	6.5
323.11365	18.4
324.11630	2.3
345.11893	5.0
469.13531	5.5
473.14536	13.8
474.14844	2.6
489.17667	2.2
706.80676	1.1
737.22589	7.5
738.22882	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	737.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.9
61.98822	1.1
68.13379	0.2
68.54153	0.2
69.03470	0.3
69.46593	0.9
69.47031	0.9
71.01380	4.7
73.02943	7.3
83.01389	1.5
83.96320	0.2
85.02938	1.9
89.02428	0.4
91.05514	0.5
92.67950	0.3
93.03440	0.4
95.01336	0.4
97.02956	0.6
98.19815	0.2
99.00883	0.4
101.02438	6.3
113.02444	2.7
115.05534	73.3
116.05870	4.3
117.03465	2.4
117.07111	7.0
117.07961	0.4
118.07420	0.3
119.03482	0.4
121.02948	0.4
122.69165	0.3
123.04518	3.8
125.02430	1.0
131.03519	0.5
132.05821	0.3
139.04073	0.2
143.03427	1.1
143.05031	6.4
149.02386	0.2
149.04585	0.4
155.03542	0.7
161.04607	1.6
161.06065	16.4
162.06432	1.0
180.47107	0.2
187.04005	100.0
188.04350	6.1
203.05608	1.2
205.05045	5.6
206.05389	0.6
219.53870	0.3
221.09805	0.6
223.11308	0.3
235.16496	0.3
265.73468	0.2
267.10153	0.3
281.35593	0.3
285.09769	0.3
285.14841	0.2
301.09280	0.4
323.11176	0.9
337.80392	0.2
356.42508	0.3
369.08215	0.7
380.32007	0.3
399.16574	0.7
415.63419	0.3
469.13376	1.3
470.13870	0.3
473.14465	21.3
474.14883	3.2
549.71869	0.2
737.23254	0.5
759.07251	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53860	0.2
54.75424	0.2
59.01381	2.8
61.98833	2.9
63.71379	0.2
68.80622	0.2
70.12242	0.2
70.62446	0.2
71.01402	1.3
71.01714	0.2
71.03962	0.2
71.04296	0.2
73.02947	0.5
76.98651	0.2
81.37197	0.2
83.01405	0.3
85.02969	1.1
88.98837	0.4
91.05566	0.7
93.03471	0.7
95.01394	0.2
95.51678	0.2
101.02460	0.8
102.80373	0.2
113.02451	0.8
114.93456	0.2
115.05540	74.4
116.05872	3.7
117.03472	2.4
117.07108	6.3
118.07463	0.2
119.05100	0.3
121.02971	0.3
123.04544	3.3
125.02438	0.2
133.06599	0.6
142.52713	0.2
143.03510	0.9
143.05035	7.2
144.05368	0.2
145.03040	0.2
149.02448	0.2
161.06081	11.3
162.06413	0.5
187.04007	100.0
188.04359	5.5
205.05069	7.2
206.05476	0.4
221.09724	0.8
241.05058	0.3
244.12013	0.2
256.07446	0.9
267.10437	0.3
271.09677	1.2
285.09772	0.3
323.11472	0.3
433.14941	0.4
473.14526	25.1
474.14905	3.5
579.20770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17738	0.1
55.01883	0.2
57.03437	0.4
57.88095	0.1
58.00618	0.2
59.01379	15.3
60.01724	0.2
61.98830	0.8
68.99804	0.2
69.03442	0.7
69.35452	1.1
71.01382	7.3
72.99274	0.1
73.02952	5.5
75.00888	0.2
81.03460	0.5
83.01386	1.6
85.02952	4.8
87.00878	0.2
89.02440	0.4
91.05530	0.4
93.03454	0.7
95.01382	0.6
95.05029	0.2
97.02951	1.1
98.19926	0.3
99.00866	0.3
99.04510	0.5
101.02446	4.7
104.11422	0.1
113.02454	6.1
114.02797	0.2
115.05537	67.1
116.05882	3.2
117.03469	1.8
117.07104	8.8
118.07455	0.4
119.03512	0.3
119.05052	0.2
121.02966	0.3
123.04520	4.4
125.02441	2.1
131.03471	0.4
133.06560	0.3
137.02449	1.0
142.53702	0.1
143.03488	6.8
143.05011	6.2
144.05370	0.2
149.02477	0.4
149.04514	0.3
155.03516	0.7
160.01671	0.3
161.06073	23.1
162.06432	1.1
175.04034	0.3
177.57864	0.1
185.04604	0.2
187.03998	100.0
188.04338	5.7
203.05582	1.6
205.05051	7.0
206.05377	0.3
207.53900	0.1
221.09645	0.4
229.74448	0.1
267.10330	0.3
285.09836	0.8
299.07867	0.1
323.07886	0.2
323.11325	3.1
323.14883	0.3
337.09329	0.3
345.11850	0.7
469.13431	1.8
470.13635	0.2
473.14484	21.1
474.14890	3.5
474.20554	0.1
474.21686	0.1
489.17859	0.2
515.15234	0.7
737.23102	1.3
738.23047	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	0.2
59.01378	14.8
60.01691	0.2
61.98823	0.5
80.05035	0.2
81.03456	5.1
81.33856	0.2
83.05025	14.9
84.05341	0.2
95.46891	0.2
100.07653	0.3
100.48924	0.1
107.06128	0.4
108.04547	0.6
110.48086	0.1
125.07178	0.8
126.05601	0.4
143.08272	0.4
175.02463	0.2
199.18042	0.2
207.14996	1.1
224.17683	2.5
225.16072	12.0
226.16428	0.9
232.07791	0.1
242.18729	0.8
250.15520	0.1
268.16632	0.2
291.20880	0.2
309.21817	0.9
324.26498	0.5
333.23145	0.7
341.29144	0.8
351.23788	0.2
367.27243	1.4
385.28220	0.2
407.33554	0.2
433.31866	1.2
450.34384	1.2
451.32883	7.0
452.33273	1.1
523.16943	0.2
550.43176	0.9
559.39587	0.3
565.44989	0.2
566.10986	0.2
593.43713	0.6
659.48834	1.9
660.48969	0.4
677.49652	100.0
678.49969	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	738.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19527	0.2
59.01375	0.6
61.98833	100.0
62.93170	0.2
62.98518	0.2
63.45417	0.2
67.63274	0.2
71.01407	0.5
72.99316	0.2
73.02964	0.2
87.00926	0.2
88.98795	0.2
89.02456	0.3
98.19946	0.6
99.00910	0.6
101.02455	0.3
111.00941	0.2
113.99593	1.1
115.00385	0.8
156.00648	2.5
157.01399	0.5
174.01694	4.5
175.02480	1.0
227.03516	0.7
229.08368	0.2
255.02985	1.3
256.03430	0.2
261.13440	0.2
284.03195	1.5
285.03873	0.5
343.52905	0.2
557.26227	0.6
575.27423	0.5
594.15967	0.6
615.26563	1.5
657.28003	0.4
675.29254	0.4
739.20703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34999	0.3
61.98832	100.0
68.66532	0.2
84.60066	0.2
89.13792	0.2
180.23253	0.3
195.71281	0.3
221.66577	0.2
234.53465	0.3
275.74402	0.3
458.31543	0.3
603.46661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01375	9.4
61.98829	20.5
63.02380	0.7
65.00321	0.7
69.67743	2.2
69.68161	1.5
71.01374	8.3
72.99306	0.7
73.02952	4.6
74.03268	0.7
83.01391	2.5
85.02956	2.8
87.00871	0.9
89.02451	2.7
93.03471	1.4
95.01390	1.3
96.42893	0.5
97.02951	1.0
99.00932	1.1
101.02451	6.5
107.01402	2.1
108.02193	2.0
109.02941	3.0
113.02446	3.6
115.05534	25.5
116.05875	10.2
117.03459	2.7
117.06209	1.8
117.07090	1.5
118.07474	0.9
119.03536	0.9
119.04988	1.1
120.02139	0.6
123.00898	1.6
123.04514	2.1
124.01683	3.4
125.02454	1.4
132.02200	2.3
135.00868	0.8
135.66594	0.6
137.02431	2.5
138.03258	0.6
139.04007	3.9
143.03484	1.0
143.05029	2.4
144.05336	1.0
145.02969	4.2
147.04524	0.6
151.00349	4.9
152.01088	1.9
153.01924	3.2
160.01599	0.9
161.04565	2.9
161.06096	3.8
162.06406	1.0
163.00383	0.8
163.04024	0.9
164.01114	0.9
171.04475	0.6
175.03990	0.7
177.02048	0.7
178.99849	1.8
179.05629	0.6
183.04517	1.0
187.03998	31.8
188.04333	14.1
188.05930	1.1
189.04517	5.1
199.04079	0.9
200.04819	0.8
203.05460	1.0
205.05081	2.2
211.03989	3.5
213.05383	0.8
227.03490	47.1
228.03917	3.5
229.05101	1.5
239.03447	1.3
255.02971	79.6
256.03568	12.0
256.06332	1.0
256.07462	0.8
257.04324	1.4
271.09735	1.2
283.02481	2.4
284.03244	100.0
285.03845	18.3
286.04446	0.8
301.09283	1.9
315.07263	3.5
369.08350	4.6
370.08585	0.8
383.06409	1.6
399.16562	1.6
437.18286	1.6
473.14523	2.1
474.15051	4.0
475.15063	5.2
542.07465	0.7
593.14838	2.3
609.20129	0.7
660.96381	0.7
723.92999	0.6
739.18787	55.2
740.18994	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	739.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
61.98832	4.1
63.02385	0.6
65.00326	0.7
71.56482	0.5
76.05922	0.5
76.28669	0.5
83.01404	0.8
85.02939	0.8
85.72168	0.5
89.02422	0.7
93.03420	0.5
101.10017	0.5
107.01417	1.8
113.02447	0.5
114.17252	0.5
116.92834	0.5
117.03470	1.5
119.05030	1.8
124.01680	1.3
131.44005	0.5
132.02174	1.1
135.00905	1.1
139.04050	0.7
145.02959	4.3
151.00391	3.7
161.04550	0.5
163.00354	1.5
163.04013	1.1
164.01253	0.7
178.99841	1.5
183.04514	1.5
185.02423	1.0
187.03944	1.1
211.03955	2.6
212.04703	0.7
213.01956	0.5
213.05481	0.5
227.03496	42.7
228.03865	3.4
229.05093	1.1
239.03452	0.9
241.04993	0.6
255.02980	82.2
256.03555	13.3
257.04514	2.2
283.02557	2.2
284.03250	100.0
285.03842	16.5
286.04367	0.7
353.85220	0.6
369.08246	0.6
384.47845	0.5
575.13861	0.7
593.14996	1.6
739.18774	63.1
740.18970	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	739.2088
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.41566	0.7
60.88744	0.7
69.23685	0.8
69.23899	3.0
69.24317	5.0
79.15381	0.8
87.96445	0.7
106.11526	0.8
107.01381	2.1
132.02208	0.8
135.00890	0.9
151.00349	3.6
163.00348	1.1
178.99837	2.1
182.59869	0.9
199.03996	1.1
211.03947	1.9
220.44044	0.9
227.03479	39.5
228.03781	1.5
229.04942	1.6
239.03421	0.9
255.02979	70.2
256.03522	6.3
257.04449	2.3
283.02554	1.4
284.03253	100.0
285.03885	18.3
286.42599	1.1
458.84064	0.8
497.62695	0.9
575.13873	1.9
739.20880	84.5
740.21246	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	739.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28320	1.0
57.03455	7.9
59.01377	10.5
61.98831	27.8
69.03384	0.9
71.01380	6.5
71.18678	1.5
72.99316	1.1
73.02938	1.6
75.00864	3.6
78.85220	0.8
83.01379	2.3
85.02953	3.4
88.98811	2.2
89.02433	1.8
93.03452	1.5
95.01392	1.0
101.02452	6.9
109.02940	2.6
113.02428	1.9
115.05526	4.0
116.92805	1.3
119.03472	1.5
123.04510	1.8
125.02442	3.0
129.01958	1.3
135.04384	1.1
137.02394	1.3
139.03976	1.0
149.02495	1.0
153.01892	2.5
156.06627	1.0
160.01645	1.3
161.04605	1.6
161.06041	2.0
163.04037	1.0
167.03488	0.9
177.01834	2.7
179.05603	1.0
187.03896	3.5
211.03864	0.9
213.05577	10.7
227.03464	3.3
237.06136	2.8
238.74216	1.0
241.05035	40.7
242.05464	3.2
255.02989	6.2
255.06590	3.0
256.07394	96.6
257.07736	9.1
271.09744	100.0
272.10043	10.5
284.03250	6.7
285.03876	1.9
433.15002	60.0
434.15268	9.0
475.16095	23.6
476.16360	3.6
515.19031	4.8
559.18018	1.9
577.19312	8.3
578.19586	1.2
739.19861	2.9
739.32672	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79208	1.1
59.01380	5.4
61.98824	4.9
70.62197	2.3
70.62549	2.6
71.01389	6.1
85.02962	1.5
87.00873	1.5
88.45413	1.3
89.02464	2.2
97.02975	1.3
99.00803	1.2
101.02474	2.9
109.06590	1.5
113.02457	2.0
125.09759	1.7
127.11275	1.5
128.82982	1.4
129.49815	1.2
131.16879	1.2
131.63373	1.5
163.11316	2.2
171.10269	50.9
172.10612	2.4
181.12308	1.9
197.11824	1.3
199.13397	39.1
200.13721	2.6
207.10204	5.0
218.14992	1.3
225.11317	28.1
226.11722	2.8
235.08267	4.6
243.12373	2.6
253.09309	9.8
277.21713	100.0
278.22086	12.2
279.23355	1.9
317.58154	1.2
407.19110	1.8
408.46457	1.4
443.18954	1.6
461.20197	5.3
596.18427	1.4
739.42603	5.4
740.43158	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	740.371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98830	100.0
62.98546	0.2
71.01396	0.1
77.09090	0.1
89.02427	0.1
100.36929	0.1
101.02450	0.1
130.39905	0.1
168.16258	0.1
180.69037	0.1
182.77570	0.1
197.11824	0.1
211.13431	0.4
212.13757	0.1
279.23248	0.1
280.23825	0.1
309.20740	0.1
399.13916	0.2
415.14487	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	740.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62160	0.1
61.98830	100.0
62.98532	0.2
73.27158	0.1
74.17207	0.1
186.76077	0.1
187.04105	0.1
262.74500	0.1
327.88535	0.1
508.69275	0.1
508.77197	0.1
534.58972	0.1
573.25940	0.1
583.38501	0.1
680.50677	0.3
740.49359	1.1
741.49121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30564	0.3
59.01377	0.7
59.88281	0.2
61.98831	9.5
63.97451	0.3
63.99247	0.8
70.03435	0.5
70.03843	0.9
77.03967	2.3
93.03452	0.6
115.05531	1.0
121.02958	100.0
122.03303	3.1
136.50726	0.2
137.02457	0.7
144.10069	0.3
165.01929	70.9
166.02289	2.5
180.05852	0.3
181.06602	2.7
187.03975	0.9
191.03462	1.5
209.11795	0.3
211.13399	1.2
212.13782	0.4
225.05537	1.5
276.08658	0.3
293.21295	0.3
313.07178	2.2
357.06134	11.4
358.06552	0.8
473.14545	0.6
740.42255	0.3
741.14716	5.0
742.15210	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	741.2246
Annotation	Narirutin 4'-glucoside
Peak:m/z	Relative Intensity
58.00589	0.7
59.01096	1.3
59.01374	14.2
61.98821	2.0
62.19457	0.7
65.00327	1.0
71.01385	4.7
71.56173	1.1
72.99286	1.1
73.02949	2.4
74.02436	1.3
75.00845	0.9
82.84421	0.7
83.01361	1.5
85.02939	3.6
89.02448	1.2
93.03459	11.1
101.02419	1.8
103.01882	1.8
107.01367	2.5
108.02184	0.7
111.00899	0.7
114.93423	0.9
119.05024	33.3
120.29701	0.7
121.02938	2.1
123.24171	0.7
125.02444	2.4
131.01385	8.1
133.03000	0.8
135.00868	2.6
136.01669	7.3
136.79379	0.9
139.92654	0.7
145.02934	3.2
149.02457	2.0
150.03229	1.0
151.00365	5.5
153.82446	0.8
163.00357	8.0
163.03934	1.3
164.01199	3.8
165.01903	2.3
166.02672	1.6
170.61334	0.8
175.00359	32.8
176.00769	2.8
177.01862	3.6
178.02562	1.0
189.01942	2.5
189.99226	1.1
190.99855	1.4
191.03458	0.9
192.00536	1.1
193.01466	4.4
201.01791	1.2
205.01392	6.6
210.01624	0.7
217.01350	2.8
217.62428	0.7
219.02931	1.5
223.02390	1.1
231.02896	0.8
247.02489	0.7
255.06615	1.4
261.08887	1.2
271.06152	8.7
283.06198	4.0
284.06805	0.9
285.07632	1.4
295.06091	41.2
296.06241	4.2
297.07724	1.2
311.05527	1.0
313.07162	16.0
314.07538	2.0
325.07077	8.3
326.07394	1.4
335.11105	0.8
337.07224	3.6
343.08264	8.0
344.08481	1.2
415.10275	10.4
416.10803	0.9
433.11371	1.0
445.11392	2.3
446.11975	1.1
457.11356	2.1
459.12976	2.3
475.12457	6.8
476.12589	1.1
505.13593	5.2
507.25198	0.9
579.17535	4.6
580.17554	1.0
595.16345	1.2
621.18256	7.2
622.18567	1.3
741.22412	100.0
742.22772	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	741.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92780	1.3
58.13860	1.3
59.01377	19.0
61.98833	7.9
71.01379	5.5
71.14592	3.6
73.02936	3.0
75.49612	1.5
81.34663	1.6
85.02109	1.7
85.02956	4.7
89.02435	3.5
93.03471	8.3
101.02438	2.7
107.01336	3.5
111.00864	1.8
119.04253	2.4
119.05038	37.2
121.02951	1.9
125.02421	2.9
131.01378	8.9
131.47536	1.6
136.01660	7.8
145.02950	3.3
149.02408	2.2
150.03239	1.7
151.00349	6.1
163.00328	10.8
164.01102	6.1
165.01871	2.9
165.05585	1.8
175.00365	41.6
176.00661	1.9
177.01904	3.6
191.05583	2.6
192.00558	1.6
193.01353	8.8
201.02234	1.6
205.01442	8.4
217.01399	5.0
224.56017	1.5
231.02776	2.0
241.91158	1.5
271.06125	10.6
283.06097	5.2
295.06094	52.3
296.06448	5.7
311.05624	1.6
313.07162	18.0
314.07446	3.1
325.07047	8.8
337.06952	3.6
343.08047	8.8
357.02725	1.6
403.87711	1.7
415.10464	9.3
457.11395	4.2
474.11465	2.2
475.12561	9.9
505.13474	5.4
535.31677	1.5
553.54071	1.5
577.16016	2.1
579.17688	7.5
621.18317	15.3
622.18231	3.3
741.22430	100.0
742.22815	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.2
59.01375	2.8
61.98833	2.7
71.01384	2.7
73.02947	1.0
83.01384	0.4
85.02970	1.4
87.00877	0.3
89.02457	0.4
93.03465	0.3
95.01384	1.1
101.02453	1.5
105.03467	0.2
105.55125	0.2
106.04239	0.4
107.05035	2.4
108.02176	4.0
109.02979	2.1
110.03743	0.2
113.02455	1.6
115.05544	0.4
117.07036	0.3
120.02187	4.5
123.04545	1.9
125.02430	0.4
134.03801	0.3
135.00812	0.2
135.04530	1.1
136.01683	0.4
138.03236	10.6
139.03574	0.6
146.03735	2.7
149.02341	0.2
151.04094	0.2
152.01152	3.5
153.01970	1.7
153.05579	100.0
153.54677	0.2
154.05913	4.7
159.03008	0.2
161.04565	1.3
161.06088	1.6
163.04025	0.3
164.04800	1.7
174.01689	0.2
175.03957	0.3
177.01918	1.2
179.03525	0.6
179.07132	6.2
180.07452	0.3
181.04958	0.2
187.03987	0.4
193.04985	0.2
205.05199	0.2
229.03496	0.4
235.07770	0.2
281.08194	0.4
297.07797	0.3
309.07745	1.8
310.08118	0.2
312.09784	0.2
313.06839	0.2
313.10757	0.2
315.07248	4.0
316.07477	0.5
324.09998	0.8
331.17569	1.8
339.07254	2.4
339.12372	1.6
357.08160	0.4
357.12857	0.2
383.06229	2.0
383.10696	0.3
399.16602	3.0
400.16791	0.3
403.13513	0.2
409.11392	1.5
424.92984	0.2
453.77579	0.2
473.14310	0.3
741.36456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59549	0.5
59.01376	5.2
60.99319	0.8
61.98835	12.3
71.01382	4.3
71.56326	0.8
72.99285	0.9
73.02941	1.4
75.00854	0.5
81.83746	0.4
82.02370	0.4
83.01382	0.9
85.02950	2.3
85.87650	0.5
85.88197	0.4
87.00862	0.5
88.98819	3.5
89.02448	1.5
93.03459	1.2
95.01396	0.8
95.86481	0.4
97.19520	0.5
99.00893	0.8
101.02451	3.1
113.02472	1.6
115.05539	76.8
116.05862	3.1
117.03468	2.1
117.07108	31.8
118.07435	1.1
119.03464	0.4
119.05036	0.7
123.04545	3.4
125.02435	0.6
128.10385	0.4
133.06630	0.7
135.35359	0.4
143.05038	8.2
146.63564	0.5
149.02458	0.5
150.03252	0.6
151.04004	0.6
161.06079	63.1
162.03227	2.4
162.06401	2.8
163.04012	0.7
165.05550	2.7
175.02498	0.6
175.03969	0.5
177.05527	1.1
179.03488	2.2
180.04305	6.2
187.04005	98.2
188.04333	5.5
195.06615	10.1
196.06931	0.7
205.05057	12.9
206.05423	0.7
252.49805	0.4
323.11246	1.3
357.11810	5.4
367.11203	0.4
473.14511	100.0
474.14819	13.5
741.44714	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	741.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.9
60.99303	0.4
61.23505	0.4
61.98833	5.1
62.26146	0.4
68.99847	0.4
71.01382	2.5
72.99325	0.8
73.02946	0.7
84.02206	0.4
85.02981	1.3
88.98809	1.3
89.02455	1.2
95.01395	0.8
98.19855	1.0
101.02447	2.4
109.02985	1.2
112.23045	0.4
113.02483	0.9
121.02950	0.8
121.06609	0.5
123.00887	1.4
124.01764	0.5
124.13149	0.4
125.02466	0.8
137.02446	6.2
139.03990	0.6
145.03000	0.6
149.02426	0.8
151.00394	10.7
151.03986	0.7
152.01096	0.7
152.04810	2.2
161.04596	1.4
163.03993	0.6
166.02721	41.7
167.03189	2.8
175.04050	1.2
177.02028	2.2
179.03482	0.6
179.05676	0.7
181.05080	63.4
182.05402	3.0
182.44829	0.4
184.03761	0.8
190.06367	1.1
191.03403	0.9
192.04251	1.1
193.05096	1.1
205.05063	1.0
205.08728	1.4
207.06567	0.8
217.04849	0.5
219.06502	0.6
229.15462	0.5
281.08170	0.8
284.03323	0.8
286.03912	0.5
297.07693	0.8
309.07843	2.2
309.10846	0.5
312.09961	1.0
323.09476	0.9
324.09998	2.0
327.12369	3.2
339.12366	5.5
340.12503	1.2
341.10193	0.5
359.11356	1.9
387.10818	10.4
387.15469	0.7
388.11252	1.1
402.13177	8.4
403.13455	1.4
404.60617	0.5
417.15543	100.0
418.15872	13.7
663.23279	0.7
681.23981	0.9
741.21478	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.8
59.01377	12.0
61.98831	15.6
63.02388	1.4
65.00343	1.1
70.19563	3.0
70.19946	1.3
71.01384	22.9
72.01752	0.9
73.02949	9.0
75.00858	2.0
81.03477	0.8
83.01393	1.9
85.02951	11.9
86.00114	1.2
87.00883	5.8
88.98802	1.2
89.02449	7.8
95.01385	1.3
97.02940	1.8
99.00878	3.1
99.04546	0.9
101.02448	16.0
102.02755	0.9
104.51626	0.9
107.01448	1.6
108.02196	1.4
109.02928	0.9
113.02439	9.7
119.03500	3.0
119.46432	0.9
124.31648	0.8
127.04002	1.3
129.01982	1.1
131.03529	4.1
132.02129	1.5
134.89334	0.8
135.00885	1.9
135.04567	1.1
143.03494	1.8
145.02965	1.5
145.05026	2.6
151.00369	4.2
159.02939	1.8
161.04572	15.7
162.03232	1.1
165.05505	1.5
173.30539	0.9
175.03917	1.0
178.99861	1.7
179.03491	1.6
179.05600	2.2
183.04526	1.4
187.03981	2.2
193.05061	1.4
199.04071	1.1
211.04057	2.8
212.04829	1.2
213.05551	22.9
214.05811	1.5
221.06601	8.2
227.03488	36.3
227.06917	1.5
228.03882	4.0
229.05090	2.4
239.03577	1.4
240.04242	2.8
241.05046	50.9
242.05408	4.1
247.08344	4.7
253.05112	1.4
255.00230	1.5
255.02991	74.8
255.06596	7.8
256.03552	8.3
256.07401	100.0
257.04385	1.5
257.07736	8.3
263.07828	1.2
270.09006	1.2
271.09756	80.5
272.10025	5.7
283.02499	1.7
284.03250	92.3
285.03836	16.4
286.04068	1.3
307.10306	4.2
367.12299	2.9
408.94583	1.2
419.68863	1.0
433.14944	23.0
434.15543	3.3
443.95407	0.9
469.15646	1.3
559.88129	0.9
575.14362	1.0
579.21039	1.8
652.03186	1.1
741.24292	46.9
742.21704	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	741.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03439	1.9
58.00584	3.5
59.01381	95.1
61.98533	1.2
61.98834	16.6
67.02337	1.0
69.03456	3.0
69.57083	4.1
69.57495	1.7
71.01383	77.6
72.01716	1.4
72.99306	3.3
73.02947	12.6
81.03431	2.3
83.01383	14.8
85.02951	21.3
87.00883	7.4
89.02446	70.8
90.02767	1.5
95.01389	7.9
96.96041	1.2
97.02948	3.0
99.00854	4.6
99.04516	1.2
101.02444	50.1
102.02764	1.3
103.00381	5.6
111.00896	2.3
113.02453	43.8
114.02874	1.0
116.92877	2.7
119.03501	21.3
125.02435	7.5
127.00375	3.0
129.01944	2.3
131.03496	4.1
136.01648	1.9
137.02417	1.3
139.00345	1.6
141.01903	2.5
143.03502	13.5
149.04562	2.7
151.03998	1.6
155.03484	0.9
156.33478	0.9
157.01459	1.0
159.03014	2.6
161.04556	17.8
165.05663	1.1
167.03421	1.3
179.03456	1.0
179.04028	1.5
179.05611	21.0
179.07166	1.0
185.04498	1.9
199.02463	3.3
203.05565	2.6
229.03593	3.2
245.06696	2.3
247.04559	4.0
264.58459	0.9
271.04504	2.7
271.09912	1.1
305.08737	4.2
319.06638	1.9
323.09769	11.4
331.06708	1.3
331.17578	8.3
341.10880	93.3
342.11322	6.2
346.93976	0.9
365.10696	2.8
379.08624	1.3
399.16599	44.4
399.21881	2.1
400.16852	3.9
409.09866	100.0
410.10287	9.7
517.12964	1.3
741.34998	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	741.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
59.01377	6.0
60.99289	0.7
61.98524	0.7
61.98827	8.4
69.56394	2.2
71.01385	5.0
72.99345	0.4
73.02951	1.3
83.01375	0.8
85.02946	2.4
88.98808	2.8
89.02440	0.8
90.18372	0.3
93.03461	0.5
95.01394	1.0
95.05022	0.3
99.00915	0.4
101.02465	2.7
111.00833	0.4
113.02434	2.2
115.05537	25.8
116.05862	1.4
117.03465	0.8
117.07115	4.7
121.02968	0.6
123.04523	1.4
124.00602	0.3
124.01669	0.6
125.02438	1.1
135.04492	0.5
137.02438	2.1
143.03438	0.4
143.05008	2.3
145.02979	1.0
150.03229	1.3
151.04016	5.5
161.02480	1.2
161.04596	1.9
161.06082	9.3
162.03221	26.4
163.04010	2.9
164.04657	0.6
165.05576	3.6
167.03554	0.3
171.01123	0.3
177.05560	7.8
179.03468	4.2
179.05658	0.4
179.07135	0.4
180.04282	64.3
181.04640	3.1
187.04002	33.0
188.04359	2.4
195.06618	100.0
196.06979	5.5
205.05042	2.9
229.03490	1.3
237.07896	0.5
279.08768	0.9
313.88300	0.4
313.92850	0.4
315.18100	1.8
339.10938	0.9
355.11893	0.5
357.11902	49.8
358.12271	4.7
367.92844	0.4
381.12137	0.8
383.17053	3.1
425.10840	0.7
466.45496	0.4
473.14520	21.4
474.14874	3.4
545.22205	0.7
663.53607	0.5
741.29474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.5
58.00605	1.3
58.98956	1.4
59.01383	27.0
61.98840	6.7
69.03455	1.5
70.19071	2.5
70.19456	3.2
71.01380	20.7
71.38767	1.2
72.99329	2.0
73.02954	4.4
73.10867	1.6
78.95894	1.9
81.03484	1.7
83.01370	2.7
85.02966	5.5
87.00855	6.6
89.02445	23.0
95.01378	2.6
97.02952	3.0
98.20657	1.4
98.96792	1.4
99.00914	1.5
101.02443	17.4
101.56754	1.3
113.02440	10.9
114.10353	1.4
119.03513	5.3
125.02457	9.8
141.01857	2.0
143.03455	3.0
158.36041	1.3
161.04593	3.6
179.05598	3.9
185.11836	1.4
201.30782	1.4
221.06737	2.3
235.08206	10.0
277.21735	2.6
283.26425	72.2
284.26691	6.7
287.07700	3.2
305.08810	3.2
324.35846	1.6
397.13492	100.0
398.13861	10.9
414.15863	1.5
415.09021	1.7
415.14587	29.0
416.15253	2.5
608.13440	1.6
681.40826	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	741.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.2
61.98834	5.1
64.45428	0.7
70.01467	2.0
70.01871	2.2
71.01389	1.3
77.38306	0.7
78.95908	2.2
83.54340	0.8
89.02461	1.0
101.02419	1.7
141.12871	0.8
167.10760	0.9
185.11829	100.0
186.12210	4.9
188.13799	0.8
208.27963	1.0
235.08223	1.6
253.09319	5.5
277.21719	50.1
278.22070	4.9
309.67014	0.8
329.91382	0.7
334.17294	0.9
408.82935	0.7
421.20599	1.3
741.38745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.98830	100.0
62.98534	0.2
71.01380	0.2
80.81300	0.1
83.01382	0.1
85.02998	0.1
87.00908	0.2
88.98834	0.2
113.02437	0.1
115.05534	4.2
116.05882	1.2
117.03465	0.2
117.07124	0.6
123.04603	0.3
143.05061	0.4
144.05414	0.1
161.06062	1.2
162.06487	0.4
187.03996	4.9
188.04366	1.9
205.05038	0.3
206.05513	0.1
230.73094	0.2
241.05064	0.3
256.07440	0.8
260.09668	0.1
271.09723	0.6
301.09372	0.2
473.14413	1.4
474.14807	2.1
475.15018	0.2
579.21002	1.4
580.21234	0.3
742.31219	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	742.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98829	100.0
66.31676	0.2
71.01382	0.2
89.02454	0.4
93.03449	0.2
101.02470	0.2
102.69044	0.2
113.02438	0.3
125.02487	0.4
137.02544	0.2
147.04504	0.1
164.07234	0.2
179.05609	0.2
180.04410	0.2
181.05219	0.2
205.17133	0.2
206.08241	0.2
209.04446	0.2
253.05049	0.4
349.99905	0.2
417.15448	0.2
418.15680	0.2
435.12970	0.2
525.11578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06617	0.1
54.55194	0.1
59.01366	0.1
60.99309	0.4
61.98830	100.0
62.98531	0.2
66.09360	0.1
71.47292	0.1
76.02567	0.1
84.03442	0.1
87.00889	0.2
88.00407	0.4
88.98810	2.8
89.02447	0.3
98.20732	0.3
100.17534	0.1
111.48637	0.1
171.10303	0.2
209.11813	0.5
210.12294	0.1
229.00040	0.1
277.21732	0.3
278.22171	0.1
281.25000	0.1
399.14273	0.2
634.10577	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	743.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26050	1.3
59.01371	4.5
59.93281	1.2
61.98831	23.8
62.74459	1.2
68.36790	1.1
69.38795	10.0
71.01378	5.0
73.02934	1.4
74.42023	1.2
84.10400	1.2
89.02434	2.3
91.01862	3.1
93.03494	2.6
98.19852	2.3
101.02425	2.3
108.02190	1.5
109.02991	1.7
111.00916	1.4
113.02424	2.7
116.92899	1.9
119.01380	4.8
119.05008	2.2
121.02935	5.3
122.03717	4.5
123.00904	2.0
123.04546	2.6
124.01671	1.6
125.02393	5.8
132.02235	1.5
133.02921	1.7
134.03729	3.1
135.04521	2.6
136.01630	2.0
137.02429	1.8
140.53462	1.2
145.02975	2.6
146.02588	2.3
146.03732	33.1
147.00903	3.6
147.04411	3.0
149.02441	29.2
149.99701	1.3
150.03230	33.3
151.03905	2.0
159.87563	1.1
161.02315	1.3
161.06094	8.0
163.04053	6.0
164.04799	44.2
165.01929	3.3
165.05573	34.5
166.02681	2.0
167.03503	1.6
168.00594	3.8
175.00356	32.2
175.02522	2.1
175.03981	2.6
176.00819	1.7
177.05608	1.6
177.34465	1.1
179.07141	36.1
180.04207	3.6
180.07512	2.2
189.01936	2.2
190.02721	80.7
191.03069	7.0
195.06593	17.0
198.70500	1.2
205.05052	79.7
206.05441	5.9
209.04482	1.5
223.06108	16.7
247.06058	1.9
248.84619	1.2
260.41846	1.2
311.49832	1.4
312.10098	3.9
315.08578	2.6
317.74451	1.4
327.12372	12.2
367.10324	100.0
368.10797	10.1
472.27945	1.4
563.17670	28.4
564.18018	3.6
581.19641	2.1
743.25281	28.2
744.25879	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	743.3703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60178	0.5
59.01373	1.4
60.99307	17.8
61.98831	2.9
63.85360	0.5
71.01395	0.6
74.04083	0.5
82.95583	0.5
87.00879	1.6
88.00399	6.6
88.98807	100.0
89.02441	19.2
89.99170	1.4
90.02885	0.5
92.19244	0.5
166.44617	0.6
228.55074	0.5
242.61298	0.6
255.23346	0.6
353.57977	0.5
397.13388	1.5
511.00839	0.6
768.78369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88099	28.0
63.14658	28.4
78.95907	30.6
97.56285	31.6
115.78030	27.3
140.47302	29.5
140.63278	33.7
147.20189	30.9
211.13423	100.0
230.62076	44.4
277.21719	74.4
346.38925	30.2
399.34900	29.2
506.70514	29.2
530.94513	35.0
743.40759	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02270	0.2
59.01377	1.9
61.98831	100.0
70.28066	0.5
70.28431	0.3
71.01382	1.4
72.99296	0.2
73.02959	0.5
76.06038	0.2
80.08154	0.2
83.01402	0.7
85.02960	1.0
88.98813	0.6
89.02454	0.3
95.01398	0.6
96.95997	0.2
99.00891	0.4
101.02445	1.4
107.89207	0.2
113.02489	1.0
115.05564	0.3
123.04549	0.3
125.02473	0.6
127.00337	0.9
127.07647	0.2
139.00403	0.5
139.76692	0.2
148.05310	0.2
149.02513	0.2
151.00438	0.5
161.04535	0.3
165.05675	0.2
169.01602	0.3
187.04071	0.4
213.05479	1.4
241.05051	5.3
242.05441	0.5
255.06703	0.5
256.03418	0.3
256.05112	0.2
256.07410	15.7
257.07736	1.5
271.09760	23.7
272.10123	2.2
337.09647	0.2
415.13812	0.2
433.15015	6.1
434.15393	1.0
475.16077	11.6
476.16434	1.3
501.13846	1.1
539.29022	0.3
543.15112	5.9
544.15570	1.2
573.16113	1.9
574.16956	0.3
585.16754	0.3
603.17761	0.4
701.85913	0.2
740.32556	0.2
743.45117	0.3
744.45673	0.3
745.25214	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88302	0.2
59.01390	1.0
61.98830	100.0
71.01393	0.5
71.55397	0.3
74.77836	0.2
85.03005	0.4
91.05552	0.6
101.02454	0.3
113.02471	0.4
115.05544	1.5
117.07101	3.9
119.95291	0.2
121.57858	0.2
133.06657	0.3
136.01707	0.5
151.04005	0.5
161.06085	6.6
162.06450	0.4
163.03961	0.3
174.01627	0.3
181.01015	0.3
187.04042	1.5
199.05542	0.2
205.05054	3.7
206.05417	0.3
248.25584	0.2
270.32858	0.2
357.13571	0.4
420.94366	0.3
469.13495	7.4
470.13959	0.9
476.15472	0.3
515.79724	0.3
690.43250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
61.98830	100.0
66.15347	0.2
71.55875	0.3
71.56358	0.4
74.67724	0.2
78.95911	0.2
102.20837	0.2
117.03504	0.3
119.05105	0.3
145.02957	0.7
183.10271	0.2
209.38210	0.2
227.59383	0.2
237.42812	0.3
277.21671	0.3
279.23346	0.2
298.42758	0.2
315.22202	0.2
454.85028	0.3
454.95911	0.3
518.97437	0.3
745.47998	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.4
57.03459	1.0
58.00592	0.6
59.01381	18.7
59.64412	0.6
60.01697	0.6
61.98829	100.0
63.99222	0.6
69.03465	1.8
69.20708	3.4
69.21128	2.2
71.01382	25.6
72.99319	1.0
73.02941	6.8
74.55933	0.5
75.00883	1.2
76.07363	0.5
81.03474	0.6
81.38843	0.5
83.01389	10.1
85.02949	9.8
87.00871	1.4
89.02448	5.5
95.01387	6.8
96.96014	2.6
97.02959	1.4
98.19927	1.1
99.00879	5.9
99.90272	0.6
101.02437	14.9
101.82051	0.5
103.00340	1.0
103.03989	0.6
108.02248	0.7
109.02955	0.9
111.00864	2.9
113.02448	14.6
115.00416	0.7
119.03522	1.8
119.04978	0.7
121.02949	1.1
123.04537	4.2
125.02436	5.6
127.00374	12.1
131.03438	0.6
135.04547	1.5
137.02455	0.6
139.00378	6.8
141.01941	0.6
143.03481	1.6
145.02927	0.7
145.15431	0.5
149.02400	0.8
151.00404	1.4
153.01924	1.4
157.01430	2.7
159.02974	3.1
161.02499	0.7
161.04556	9.6
162.03165	0.7
163.03981	0.8
163.06219	1.0
165.05627	2.1
167.03564	0.7
169.01460	2.9
173.53703	0.6
175.02489	0.7
175.03928	0.9
177.05620	0.8
178.06387	0.7
179.05617	0.8
187.02501	5.0
187.03925	0.8
193.08717	0.7
195.06651	1.3
247.04633	1.3
255.02940	0.7
297.06226	0.6
315.18231	4.3
353.08878	0.6
417.53436	0.6
423.12518	0.5
430.57861	0.7
461.23920	25.0
462.24054	3.5
503.24991	16.9
504.25449	1.9
529.22968	1.7
565.19403	0.7
571.23944	40.9
572.24390	7.0
601.24976	14.0
602.25177	3.0
613.25684	1.1
631.26257	2.2
744.39130	0.9
745.39679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
57.03456	1.7
58.00596	5.0
59.01380	100.0
59.38709	0.6
60.01727	1.0
60.50890	0.6
61.98833	31.0
69.42608	5.2
71.01384	64.5
72.99313	5.3
73.02961	1.5
83.01372	3.1
85.02956	10.4
87.00875	3.5
89.02445	80.1
90.02786	1.6
93.03468	2.1
95.01396	4.9
96.00345	0.6
101.02444	40.0
102.02815	1.0
108.02172	1.1
113.02454	24.9
114.02811	0.9
119.03508	34.6
120.03905	0.7
121.02970	3.1
122.03740	6.3
123.04541	0.8
124.01623	1.0
125.02468	2.4
131.03497	4.7
133.02968	0.9
139.00412	0.8
139.04028	1.0
142.52910	0.6
143.03528	4.3
145.02983	0.9
146.03763	1.0
147.04311	0.6
149.02458	11.1
149.04488	3.2
150.03232	32.4
151.03624	1.6
160.01651	1.2
161.04593	4.2
161.05826	0.8
162.03242	3.4
164.04822	2.7
164.25153	0.6
165.01959	0.7
165.05568	29.8
166.05951	1.9
167.03514	1.3
177.05611	2.8
179.05644	9.7
179.07147	1.4
180.04309	1.9
190.02756	1.7
195.06606	16.5
195.08275	0.9
196.07047	1.6
205.05086	1.5
206.05470	0.9
218.07265	0.7
267.03156	0.7
268.07443	1.8
280.07574	1.5
283.09879	1.5
293.08215	0.9
295.06531	1.0
296.06824	1.7
308.06982	2.1
309.07840	2.0
311.09406	2.4
322.08401	0.6
323.09280	4.1
323.12680	0.6
324.06503	2.7
324.10172	1.6
325.06888	0.8
338.11716	1.4
339.08746	13.8
339.12506	1.3
340.09283	1.9
354.11050	4.8
355.11795	1.0
357.13861	0.9
358.01425	0.6
367.10428	1.2
368.10818	0.8
369.13470	26.8
370.13770	4.2
421.11789	1.1
427.11844	0.9
517.18683	8.6
518.19287	2.0
565.19257	1.2
745.26904	2.7
777.08649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03578	0.9
55.50906	1.0
58.00580	1.4
58.51892	0.9
59.01379	21.4
61.98828	14.3
62.37706	1.0
71.01378	14.6
85.02970	2.5
89.02449	15.4
93.03465	5.3
95.01350	1.2
101.02441	7.0
105.41730	1.2
109.02962	1.4
113.02452	6.6
119.03498	5.7
121.02949	13.0
122.03745	16.1
123.04526	2.7
124.01623	1.7
125.02476	1.4
127.80334	0.9
131.03461	1.2
133.02963	2.8
134.03700	1.3
135.04544	8.5
136.01678	16.7
137.02441	3.6
138.03252	1.3
145.40750	1.1
147.04469	2.4
149.02438	31.5
150.03227	93.3
151.00395	2.8
151.04008	23.4
159.04543	1.2
160.05351	1.3
161.02425	0.9
161.04469	1.1
163.03943	2.0
164.04807	5.9
165.05565	100.0
166.02731	14.2
166.05896	4.2
167.03433	3.3
172.05312	2.2
175.03984	4.0
177.05534	2.5
179.05663	3.1
180.04292	5.9
181.05064	14.8
182.05431	1.8
187.03995	1.5
189.05602	3.5
190.06372	7.9
193.05122	1.3
195.06622	64.3
196.06941	3.0
205.05087	1.2
205.08664	1.5
242.60449	1.1
266.05704	1.5
283.06348	1.4
309.07559	1.2
315.08755	1.5
323.09158	1.4
323.92978	1.3
329.10208	3.5
339.08707	3.8
341.09937	1.2
342.11081	3.2
354.11270	1.6
356.12753	2.0
357.09659	3.6
357.13483	9.1
366.16418	1.2
369.13452	7.5
372.12082	3.6
386.13898	2.1
387.14471	47.5
388.14798	5.8
505.18570	3.1
506.19293	1.2
517.18848	2.1
535.19702	55.8
536.20184	10.2
565.20819	2.3
583.21771	35.7
584.22394	7.6
586.28345	1.0
590.79883	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87015	0.7
55.01850	0.9
57.03456	1.3
58.00596	1.4
59.01379	56.8
61.98829	16.5
69.27413	7.9
70.72034	0.8
71.01381	44.0
72.99297	3.5
73.02942	4.0
75.00864	1.1
83.01385	2.0
85.02943	8.9
86.88010	0.8
87.00868	2.8
89.02444	41.3
90.02787	0.8
93.03452	6.3
95.01395	3.7
96.97694	0.9
99.00897	2.2
101.02446	22.8
104.16237	0.8
109.02950	1.1
111.35815	0.7
113.02454	16.5
117.03468	4.8
119.03501	13.9
121.02971	6.8
122.03745	15.5
123.00842	1.6
123.04523	4.5
124.01707	1.1
125.02454	3.2
131.03500	2.2
133.02951	1.4
134.03746	2.4
134.70621	0.9
135.04521	1.8
136.01628	2.3
137.02455	3.0
138.03152	1.8
143.03517	4.5
143.19107	0.7
145.02943	1.1
149.02446	25.0
149.04440	1.4
150.03221	100.0
151.03584	3.1
153.05521	1.8
161.02449	1.1
161.04538	10.8
162.03224	3.5
163.04034	1.7
164.01157	2.4
164.04788	5.7
165.01871	2.7
165.05566	95.4
166.05943	4.5
166.22171	0.8
175.00400	1.2
177.05531	3.5
179.05626	18.3
179.07166	1.6
180.04308	7.0
187.03860	0.9
188.04692	1.5
192.03181	0.8
193.04982	2.0
195.06615	49.7
196.06892	3.9
203.07060	2.2
208.91794	0.9
223.03975	3.6
223.05937	1.0
225.07634	0.9
238.06331	2.0
253.05095	1.0
255.07838	1.7
266.05606	1.3
267.02969	24.2
268.03329	2.2
269.04660	1.3
269.08057	0.9
271.06189	1.6
277.04816	1.4
278.05588	1.2
281.05139	0.9
281.08588	1.1
283.07129	1.1
285.04105	1.1
291.03040	1.9
293.04581	11.0
294.05255	3.3
295.07275	1.6
309.04056	6.2
309.07892	3.5
315.09967	2.4
323.09183	1.2
324.10040	4.8
326.11542	1.6
327.08789	2.4
337.03470	5.4
337.08078	2.0
339.08740	2.5
339.12347	9.2
340.12854	1.8
342.11029	2.0
354.10992	1.5
357.13422	6.6
358.13712	0.9
367.10114	1.4
369.13724	14.1
370.13721	2.2
371.20837	3.1
399.16577	1.6
411.14304	1.3
413.08731	2.7
429.06427	4.1
449.15933	1.6
461.15714	1.6
463.78986	0.9
471.07190	4.3
505.18787	5.0
506.19196	0.9
517.18890	7.0
518.19293	1.3
519.18726	3.2
520.18854	0.9
531.18719	3.9
532.18860	1.9
535.19696	27.2
536.20178	3.7
549.10358	6.8
550.10327	1.5
551.11810	2.2
565.11475	1.1
565.21008	1.3
583.21954	4.0
584.21936	2.0
591.11609	2.4
679.23859	1.4
685.15375	7.1
686.16138	2.1
697.25018	19.8
698.25610	4.1
713.22791	1.6
727.25238	1.0
745.27100	16.2
746.27441	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	745.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18047	0.8
59.01378	9.3
61.98828	12.6
62.14884	0.8
71.01373	7.9
71.39110	0.8
71.56203	1.4
73.02963	1.7
76.17980	0.8
83.01389	1.4
85.02946	3.2
87.00864	0.9
89.02438	5.3
93.03452	4.0
95.01404	1.2
99.00879	1.0
101.02431	4.8
108.02197	1.5
109.02942	3.0
113.02458	3.7
115.00343	1.4
119.03488	2.3
120.53642	0.8
121.02943	2.8
122.03764	12.5
123.04595	2.0
125.02410	1.8
127.00402	1.2
128.24271	0.9
133.02954	1.2
135.04532	1.0
136.01682	10.5
137.02441	1.5
145.02863	1.0
149.02454	16.9
150.03224	84.9
150.23015	1.0
151.00327	2.6
151.04030	10.5
161.02361	1.2
161.04521	2.6
161.05942	0.9
162.03206	2.4
163.03987	2.0
164.04787	3.7
164.49535	0.8
165.05568	100.0
166.02673	9.0
166.05882	3.7
174.01715	2.3
175.02556	1.6
175.03951	2.2
177.01939	1.2
177.05643	2.1
179.03477	1.4
179.05540	1.5
180.04272	5.8
181.05083	10.0
190.06343	1.3
193.05017	1.5
195.06622	98.4
196.06976	4.6
197.08542	0.9
257.39169	0.9
339.07150	2.4
357.09570	2.4
357.13434	7.5
372.12195	2.3
381.07953	1.1
387.14502	27.9
388.14941	2.8
437.18317	1.6
535.19507	3.7
583.21735	14.3
584.22327	2.8
652.02747	0.9
707.34918	10.6
708.35193	2.8
709.35614	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	3.1
59.01385	1.3
61.98840	1.6
66.31898	0.7
69.03436	0.9
69.20612	3.5
69.21043	3.3
70.02951	1.3
70.26864	0.7
71.01366	1.8
72.00910	1.0
74.02472	1.6
81.02187	0.7
82.02972	2.6
83.01385	1.4
84.04534	1.8
85.02929	1.0
86.02483	0.7
87.05602	1.7
88.04039	15.6
94.02984	0.9
96.04544	0.8
98.02505	1.2
98.06113	1.2
99.05606	0.7
100.04057	2.7
106.24962	0.7
109.04069	1.4
110.06113	1.9
111.00880	0.7
112.04061	4.8
113.02457	0.8
114.01926	1.2
115.08794	5.5
116.07139	1.8
124.03996	1.6
124.07693	1.0
125.02497	0.9
125.07188	2.7
126.05605	4.5
126.09220	2.4
127.05151	5.7
127.08788	4.9
128.03551	18.7
128.07184	2.3
129.06720	7.6
129.10344	1.2
134.99710	0.7
136.04034	2.6
138.05539	0.7
141.06712	0.9
141.10342	1.8
142.05095	0.9
143.08243	5.3
145.06187	1.1
145.09798	1.6
146.04602	0.9
151.08772	1.7
152.07173	6.4
153.06714	2.1
155.08310	1.2
163.08734	0.8
166.05119	0.9
169.09779	2.4
171.07809	4.6
180.42572	0.7
181.09856	0.8
182.13033	3.6
184.06113	2.1
184.14583	2.8
187.10905	0.8
189.08798	2.9
195.11383	1.5
198.12401	0.9
199.10852	2.3
200.14053	1.4
202.07167	4.3
212.14044	2.0
213.12488	1.1
216.13516	5.5
220.10855	0.9
221.09380	0.9
225.08783	1.3
238.12045	7.4
238.15562	1.0
239.10318	0.8
239.12477	0.9
242.11401	1.3
256.13080	1.6
256.16632	2.9
260.12415	4.1
272.16165	1.3
282.10925	6.1
293.92328	0.7
300.11951	1.6
301.18939	0.7
327.16843	1.2
338.10861	0.7
371.15683	11.6
372.15848	1.0
373.15994	1.5
389.16910	3.1
485.22424	4.5
486.23230	0.9
656.27606	1.8
727.31537	8.2
728.31866	1.8
745.32611	100.0
746.32910	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	745.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
63.59353	18.4
71.19550	36.0
88.73606	19.8
116.75512	17.6
142.62744	17.4
318.74463	20.6
345.10867	18.6
362.18326	17.8
634.57721	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	746.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06302	0.4
54.04963	0.3
59.01377	0.7
61.79924	0.4
61.98829	100.0
71.55140	0.5
87.00904	0.4
107.22160	0.4
115.00378	0.6
172.46220	0.3
175.02510	0.9
211.60654	0.3
255.23265	0.4
358.45294	0.4
474.14600	0.5
572.37067	0.5
574.29059	0.4
683.25244	1.2
746.37811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06796	0.4
55.95471	0.4
61.98832	100.0
69.57974	3.2
71.63190	0.5
72.67445	0.5
76.70605	0.4
78.95893	0.6
98.20615	0.9
120.43268	0.5
152.99632	0.6
156.83774	0.4
165.05556	0.5
223.13190	0.5
255.23395	1.5
256.23779	0.5
289.34198	0.5
295.29266	0.4
662.73303	0.5
745.50470	0.9
754.59869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
56.32218	0.1
59.01383	1.9
61.98831	100.0
62.98553	0.1
63.99250	0.1
65.71548	0.1
71.01392	1.7
71.56740	0.2
72.99300	0.2
73.02945	0.4
83.01387	0.4
85.02954	0.6
86.19555	0.1
87.00877	0.3
89.02463	1.1
92.81525	0.1
95.01392	0.4
99.00907	0.4
101.02451	0.9
108.02190	0.3
109.02983	0.4
113.02458	0.9
119.03526	0.3
119.05058	0.2
122.03745	0.1
123.04546	0.4
124.01640	0.1
125.02463	0.4
127.00410	0.4
136.76784	0.1
139.00363	0.2
145.02991	0.2
150.03244	0.7
151.03946	0.2
161.04518	0.7
161.05887	0.1
162.03226	2.4
163.04028	0.4
164.04767	0.2
165.05595	0.6
166.48022	0.1
167.03555	0.1
175.02467	0.2
175.03973	0.2
177.05576	2.8
179.05588	0.2
195.06622	0.5
196.06897	0.1
216.02104	0.1
223.19740	0.1
240.04153	0.2
285.04309	0.2
298.08456	0.1
313.11087	0.2
325.76669	0.2
339.07324	0.3
343.12048	0.2
373.12878	0.4
388.20477	0.2
399.16544	0.2
439.19843	0.3
449.21555	0.1
503.25601	0.2
503.33023	0.2
521.33264	1.1
570.84192	0.1
571.24310	0.5
572.24084	0.7
587.86273	0.2
593.14948	0.2
643.33704	0.2
746.38873	0.4
747.39948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.7
61.63486	0.2
61.98829	100.0
67.14427	0.1
71.01377	2.4
71.04833	0.4
72.99316	0.4
73.02950	0.5
83.01398	0.6
85.02947	1.0
87.00896	0.4
88.98833	0.2
89.02435	1.4
93.03459	0.1
95.01392	0.5
96.96041	0.2
99.00870	0.3
100.71518	0.2
101.02436	1.2
102.86222	0.2
108.02186	0.4
109.02978	0.3
113.02429	1.2
119.03492	0.5
119.05052	0.2
121.02956	0.2
122.03706	0.2
123.00881	0.2
123.04519	0.4
123.39603	0.2
125.02463	0.4
127.00388	0.6
131.03526	0.2
133.62894	0.1
143.03566	0.2
149.02435	0.4
150.03215	0.9
151.03777	0.2
160.01726	0.3
161.02327	0.3
161.04535	0.8
162.03191	1.1
163.04031	0.3
164.04782	0.2
165.05550	1.6
166.05957	0.2
169.01379	0.2
175.04065	0.4
177.05589	1.1
179.03494	0.2
179.05623	0.3
180.04170	0.2
187.04019	0.2
190.02740	0.2
191.75414	0.2
193.05199	0.2
195.06621	1.0
196.07031	0.3
205.05096	0.2
209.78250	0.2
228.17494	0.2
285.04105	0.6
339.07281	0.6
343.11874	0.2
373.12750	0.2
399.16693	0.3
429.83243	0.2
439.19925	0.4
459.20154	0.2
495.12399	0.6
521.33258	0.9
571.24023	0.5
572.24561	0.7
593.15222	0.3
661.34540	0.2
723.20770	0.2
746.39404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78766	2.4
56.20538	2.4
60.66424	2.2
61.98827	7.4
62.08943	2.3
70.46054	2.3
78.95901	37.7
121.02985	3.0
122.00137	4.6
136.05804	2.2
140.01208	18.1
149.87889	2.4
152.99536	4.7
167.14389	5.8
196.03775	7.3
229.46204	2.9
249.18523	9.9
255.23312	37.4
256.23578	3.7
267.16745	5.1
267.19644	100.0
268.19989	8.0
275.16565	11.4
278.66910	3.0
291.31271	2.9
293.17593	48.6
294.17941	5.0
311.18649	44.8
312.19217	4.1
344.01691	2.4
371.94244	2.5
402.05649	2.6
447.17291	3.1
452.27884	4.8
490.21970	11.2
561.44257	2.7
632.42847	2.6
746.46234	99.6
747.46362	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46249	0.3
55.01881	0.4
55.86462	0.3
59.01382	6.0
61.98823	0.5
69.03453	3.0
70.01807	0.8
70.02222	0.6
71.01398	1.5
73.02944	0.3
79.95750	0.4
81.03460	0.5
83.01393	1.0
85.02954	0.7
95.01391	1.1
96.96030	0.8
96.96985	0.4
97.02950	14.5
101.02451	0.6
107.01470	0.3
109.02975	0.3
113.02386	0.4
125.02448	100.0
126.02799	3.3
141.01924	0.3
157.36534	0.2
163.04010	0.4
164.85997	0.3
179.03513	0.8
191.03378	0.3
193.05168	0.4
194.99001	0.3
203.05635	1.5
208.64841	0.3
211.06154	0.3
329.08755	4.8
330.09085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20871	1.4
54.71278	1.3
58.99347	1.5
59.01384	14.1
61.98833	30.8
63.62942	1.4
63.79254	1.2
63.99262	1.5
71.01387	10.6
72.99300	1.9
73.02944	2.1
75.30616	1.6
83.01368	1.5
85.02972	3.5
86.57375	1.4
88.98825	1.7
89.02451	7.6
93.03453	5.2
95.01410	1.2
101.02462	6.2
109.02937	5.1
113.02480	3.8
119.03477	3.2
121.02967	14.5
121.59285	1.3
122.03764	12.9
123.04473	2.3
125.02463	1.6
129.48845	1.4
133.02994	4.4
134.03786	2.0
135.04523	4.4
136.01678	4.3
137.02448	2.9
145.03014	3.4
146.03725	5.3
147.04489	3.5
149.02446	31.3
149.06055	4.2
150.03223	100.0
151.03610	4.5
153.01959	1.6
161.06009	2.4
162.03294	2.7
163.04037	5.8
164.04820	10.4
165.05571	93.9
166.05948	4.0
174.03304	2.0
175.02589	2.3
175.03989	9.9
177.05612	3.3
179.07137	5.5
180.04243	11.6
180.43002	1.4
188.04774	2.9
189.05559	4.6
190.06340	14.6
191.07156	9.2
193.04996	6.8
193.60555	1.5
194.05835	7.5
195.06621	55.4
196.06992	3.9
197.74074	1.2
205.08734	10.9
207.06613	6.3
208.07362	8.2
344.12473	3.0
345.13550	3.8
357.13354	7.0
358.14139	2.1
359.14993	58.7
360.15347	5.3
388.15353	1.8
389.16037	5.5
437.29913	1.7
450.93555	1.5
486.51984	1.4
507.20709	2.9
511.09308	1.4
537.21271	78.3
538.21667	12.8
567.21667	2.2
585.23389	56.4
586.23633	13.7
592.93634	1.5
608.34174	1.5
643.33588	1.7
661.34357	2.2
747.26984	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	747.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08113	1.0
57.65460	0.9
59.01376	3.6
59.41755	0.8
61.98829	21.4
63.68330	1.0
71.01375	3.4
71.56505	1.2
71.57208	0.9
73.02908	0.9
75.00888	0.9
83.01410	0.9
88.02012	0.8
88.98801	1.5
89.02442	1.7
93.03458	5.3
101.02458	1.2
108.02158	1.0
109.02935	3.9
112.26396	1.0
113.02449	1.8
119.04985	1.7
121.02950	13.8
122.03751	14.1
123.00890	1.2
123.04537	2.0
124.01593	1.0
132.02113	2.3
133.02975	4.4
134.03702	2.4
135.04520	5.8
136.01675	2.2
137.02379	1.6
145.02928	2.3
146.03683	1.3
147.04503	4.0
149.02448	34.9
149.06041	4.0
150.03227	100.0
151.03590	4.6
153.01895	1.2
161.02429	1.2
161.06052	1.4
162.03166	1.4
163.04025	6.4
164.04826	7.9
165.05569	98.9
166.02638	1.1
166.05872	5.3
167.03493	1.2
170.01556	1.0
174.03258	1.7
175.03964	9.3
176.04834	2.5
177.01901	1.6
177.05515	3.1
179.03500	2.3
179.07092	3.5
180.04294	10.2
181.04887	1.2
188.04811	1.5
189.05626	4.6
190.06357	12.5
191.07150	10.5
192.04187	1.0
193.05022	7.4
194.05836	6.3
195.06619	56.9
196.06941	3.4
203.07132	2.0
205.08714	11.5
205.75784	1.1
207.06651	7.1
208.07425	10.6
222.08931	2.0
223.09769	1.9
234.41917	1.1
297.11533	1.0
343.11850	1.3
344.12546	2.2
345.13293	3.9
355.11475	1.1
356.12579	1.0
357.13425	4.8
358.13953	2.5
359.14999	58.2
360.15427	6.2
375.14386	1.5
387.15155	1.2
387.19992	1.1
388.15195	2.6
389.16110	6.6
507.20062	5.1
508.20731	1.2
522.18872	1.8
537.21277	74.8
538.21619	13.2
585.23370	59.2
586.23730	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	747.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48254	0.2
56.46787	0.1
61.98830	100.0
62.98539	0.1
68.61666	0.1
77.17906	0.1
78.67596	0.1
164.01883	0.1
190.94429	0.1
200.96523	0.1
255.23334	0.2
265.71609	0.1
270.90616	0.1
477.63489	0.2
747.51520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.267
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03484	0.1
59.01382	0.8
61.13565	0.2
61.98831	100.0
65.85193	0.1
70.00874	0.3
70.01275	0.4
71.01389	1.1
72.30177	0.1
72.99306	0.3
73.02950	0.2
75.96778	0.1
83.01414	0.5
85.02950	0.4
87.00878	0.2
88.06328	0.1
88.98763	0.2
89.02451	0.4
93.03511	0.2
96.83884	0.2
96.95980	0.2
98.20045	0.2
101.02460	0.5
108.02200	0.3
109.02909	0.2
113.02460	0.4
115.05544	0.4
119.05022	0.8
139.04041	0.3
145.02975	0.4
147.04567	0.3
151.03986	0.2
161.04613	0.3
161.06093	0.3
162.08104	0.2
163.04036	0.8
165.05576	0.7
175.02504	0.2
177.05627	0.2
187.04079	0.5
217.03551	0.4
218.04037	0.1
277.10614	0.2
339.07175	0.2
355.10254	0.2
369.08453	0.4
369.13354	0.2
383.17310	0.2
680.57660	0.2
685.22479	0.9
713.32092	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13414	0.1
59.01365	0.7
61.98832	100.0
71.01384	0.6
73.02955	0.3
73.62994	0.2
85.02965	0.2
88.98807	0.2
89.02451	0.3
95.01420	0.2
96.96017	0.2
99.00899	0.2
101.02447	0.3
107.35731	0.2
113.02435	0.2
115.05606	0.3
117.03474	0.2
119.05048	0.3
123.20424	0.2
125.10494	0.1
136.01622	0.2
139.04053	0.2
145.02995	0.2
150.03233	0.2
161.04639	0.2
161.06071	0.2
162.03194	0.2
163.04037	0.3
165.05586	0.3
179.51718	0.2
187.03960	0.8
284.94669	0.2
369.08499	0.3
383.17355	0.4
634.72998	0.2
689.34052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92464	1.8
58.00625	1.6
59.01379	36.4
61.98831	1.6
70.40390	1.8
70.40733	4.9
71.01392	20.4
72.99314	2.6
85.02959	4.7
89.02438	25.6
101.02444	14.7
113.02454	9.4
119.03504	18.1
143.03503	3.5
152.66052	1.6
161.04454	3.0
166.42780	1.6
179.05576	10.2
225.22275	5.1
271.22552	1.9
272.64832	1.7
278.24777	2.4
296.26013	2.6
462.99881	1.8
463.96515	1.5
471.76126	1.6
532.47369	18.8
533.47711	3.2
550.48303	7.0
563.87891	2.0
590.04163	1.6
712.53625	100.0
713.41492	2.6
713.53900	31.7
727.21008	1.7
748.51233	25.7
749.51428	8.9
760.62195	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	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96507	0.2
59.01374	1.2
60.38243	0.2
61.98838	0.8
71.01384	1.2
71.19802	0.2
72.83630	0.2
72.99310	3.9
73.02970	0.3
73.99660	0.4
75.00873	100.0
76.01210	0.9
78.47640	0.2
85.02953	0.2
87.00883	0.5
89.02460	1.1
98.20642	0.6
101.02434	1.0
111.71690	0.2
113.02430	0.4
118.66867	0.2
119.03510	0.5
125.02465	0.3
143.03537	0.3
154.73260	0.2
161.04572	0.2
175.75377	0.2
179.05672	0.3
200.37726	0.2
235.08260	0.6
253.09203	0.3
277.21680	3.0
278.22031	0.3
287.07642	0.2
305.08945	0.2
397.13483	5.4
397.18439	0.3
398.13556	0.4
415.14584	2.2
416.15527	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.9
58.00588	0.8
59.01379	22.8
61.98829	9.9
63.28923	0.7
71.01381	18.6
71.56198	1.0
72.99293	1.4
73.02963	1.0
83.01363	1.5
85.02941	3.3
87.00898	1.5
88.98836	1.4
89.02447	19.8
91.05531	15.9
92.05840	0.8
95.01371	1.6
101.02436	8.8
108.02165	1.5
109.02976	0.7
109.57333	0.7
113.02460	7.9
115.05539	12.6
117.03442	1.5
117.07109	59.0
118.07420	3.5
119.03506	9.0
123.04517	3.3
131.03523	1.6
131.05016	0.9
133.06581	4.3
133.50174	0.8
135.04521	1.6
136.27956	0.7
143.03491	2.6
143.05042	0.9
150.03275	1.2
152.01173	1.2
153.05602	6.3
161.06075	100.0
162.06422	5.7
163.04001	10.4
177.01811	0.7
177.05559	1.1
179.05618	18.9
179.07077	1.4
187.04005	46.2
188.04356	3.1
191.05595	2.1
205.05052	79.2
206.05389	4.7
223.06114	1.8
227.03481	0.7
236.67044	0.6
315.07260	1.1
315.10706	1.2
325.09235	3.0
331.17334	0.7
341.12567	1.1
367.10205	1.6
385.11417	34.4
386.11707	4.2
447.09946	0.7
531.15186	1.3
591.17224	19.7
592.17499	3.0
706.69592	0.7
753.22443	23.4
753.33850	0.9
754.23022	5.0
781.31195	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
60.51740	0.2
61.98824	0.8
69.57394	1.7
71.01389	1.1
72.99316	3.7
75.00872	100.0
76.01210	0.8
76.69572	0.2
87.00844	0.2
89.02438	1.0
97.45143	0.2
101.02468	1.1
110.56446	0.2
113.02463	0.5
119.03495	0.4
125.02473	0.4
179.05550	0.3
208.78355	0.2
235.08240	0.5
279.23288	3.2
280.23715	0.5
305.08948	0.4
306.82086	0.3
312.06323	0.2
324.33035	0.3
332.55695	0.3
397.13522	6.1
397.18472	0.5
415.14590	1.9
674.95233	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	5.3
61.98819	2.6
66.44127	1.1
67.12159	1.4
71.01360	3.2
71.06835	1.3
76.54489	1.3
85.02970	2.4
97.34686	1.3
101.02441	2.3
105.00020	1.3
108.09346	1.4
113.02419	2.4
124.84525	1.3
150.42169	1.4
154.72403	1.2
167.14381	5.0
177.12860	2.4
195.13911	16.0
205.77733	1.4
211.13408	8.1
213.14929	23.0
214.15283	1.7
237.47719	1.2
239.12894	16.4
257.13916	24.0
258.14334	2.6
277.21695	8.9
278.21960	1.5
279.23453	1.7
368.41837	1.4
493.23001	3.6
642.03784	1.5
753.44257	100.0
754.44525	27.3
754.55530	1.0
756.04236	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44969	0.6
59.01379	15.5
61.98832	7.3
71.01391	1.9
71.05003	0.6
78.95888	3.6
83.71832	0.6
89.02450	1.5
90.25520	0.5
98.19886	1.9
101.02428	1.6
113.02460	1.2
117.83216	0.6
119.03498	0.6
151.08319	0.5
153.12894	0.8
161.04529	0.6
169.12357	3.0
193.68704	0.6
195.10350	0.6
197.11827	100.0
198.12196	5.7
224.22908	0.5
235.08281	1.2
253.09334	5.7
277.21707	49.2
278.22009	5.3
362.74509	0.6
433.20822	4.0
447.89209	0.6
653.29651	0.7
693.42511	0.9
753.22864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.204
Annotation	Unknow
Peak:m/z	Relative Intensity
87.35867	0.5
107.01377	0.7
117.03465	1.0
118.51558	0.7
142.50513	0.7
151.00359	2.9
159.04457	0.9
167.43526	0.6
173.02484	0.8
178.99799	0.9
183.04498	2.7
211.04031	1.8
227.03490	13.5
228.03903	1.2
229.05061	1.6
229.33551	1.1
255.02982	58.6
256.03397	5.7
257.04456	0.8
269.04630	0.7
283.02481	84.1
284.03204	46.9
285.03964	20.7
286.04333	2.2
300.02835	0.7
307.29739	0.6
326.04480	1.5
327.04984	0.9
332.66464	0.6
423.13254	0.6
429.08173	1.6
446.08569	11.0
447.09161	3.3
593.15106	100.0
594.15442	18.3
635.16547	1.6
755.20178	9.3
756.20514	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2036
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
63.02393	0.8
65.30763	0.5
70.02673	2.4
91.25877	0.6
91.81424	0.5
93.03446	1.3
107.01392	1.2
117.03452	0.8
123.41147	0.7
143.05025	0.6
151.00375	2.3
163.00392	1.5
169.06567	0.8
171.04379	0.6
183.04509	1.7
185.06128	1.1
187.03995	0.9
189.05472	0.5
199.03824	0.6
211.03966	2.1
213.05580	1.7
227.03471	11.3
228.03854	0.8
229.05005	2.6
239.03505	0.6
241.05046	0.8
255.02979	38.2
256.03470	3.7
257.04541	3.0
265.98129	0.6
269.04074	0.7
283.02466	46.0
283.99881	0.8
284.03210	34.0
285.04025	82.9
286.04434	6.1
326.04190	0.8
327.05096	1.9
446.08435	2.6
447.09201	2.5
473.52740	0.5
565.84467	0.6
593.15088	100.0
594.15491	16.3
635.15784	0.8
731.05499	0.7
743.83331	0.7
755.20447	7.5
756.21149	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	755.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
65.00331	2.3
66.61158	0.8
69.20348	4.3
69.20779	4.7
89.66615	0.8
98.20793	1.6
110.00100	17.9
111.00881	5.2
123.00898	3.0
124.98746	1.1
136.98787	4.0
137.99611	8.7
139.00381	18.0
140.00690	1.3
141.99031	1.1
147.96700	1.0
151.00356	1.7
156.05795	1.2
165.99078	31.9
166.28789	1.0
166.30550	1.0
166.99866	10.7
178.99821	3.2
187.04099	1.3
193.98503	2.7
194.99330	1.8
198.03188	2.9
199.03947	1.0
206.99258	1.6
211.03986	1.5
215.03471	2.6
216.04272	1.7
226.02660	2.0
227.03537	5.0
228.04218	1.4
243.02975	38.1
244.03474	3.8
245.04373	1.7
254.02174	4.6
255.02953	18.6
256.03586	4.4
271.02472	54.1
272.03140	15.9
273.03729	1.4
285.04028	2.1
287.01819	1.7
300.02740	68.9
301.03430	25.4
302.03986	2.1
304.02338	2.5
318.06049	0.9
593.14685	1.3
755.20374	100.0
756.20667	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98987	0.5
58.16805	0.5
65.00328	0.6
69.21799	0.4
70.69127	1.5
74.39674	0.4
76.15605	0.4
83.01389	0.6
93.84303	0.4
107.01395	1.8
108.02174	2.1
121.02959	0.7
135.00858	0.8
148.01636	1.1
151.00369	5.3
163.00342	1.0
164.01152	0.6
178.99857	4.0
198.03171	0.5
199.03978	1.3
211.03978	0.8
215.03445	0.5
216.04289	0.9
226.02673	2.4
227.03484	3.0
243.02971	12.5
244.03416	1.3
254.02228	2.3
255.02974	27.1
256.03381	2.6
271.02469	68.4
272.02881	7.4
299.01993	3.0
300.02737	100.0
301.03235	12.4
327.04730	0.5
489.09781	0.5
733.38873	0.5
755.20380	57.8
756.20728	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	755.2036
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
60.99314	1.7
67.00257	1.1
83.01408	1.4
88.98808	5.4
107.01395	3.1
125.75525	1.1
135.00899	1.7
151.00352	2.7
161.11128	1.1
163.00357	1.4
180.72452	1.0
187.03957	1.4
194.92152	1.1
195.04518	1.0
199.04028	1.9
211.03940	3.0
227.03500	39.6
227.05717	2.1
228.03819	2.0
229.05009	4.1
255.02991	83.9
256.03546	9.4
257.04520	3.5
283.02505	1.3
284.03262	100.0
285.03970	29.3
369.13382	1.6
468.59274	1.2
742.41333	1.3
755.20398	56.7
756.20966	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	755.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.4
57.03460	4.0
58.00569	1.2
59.01386	23.5
59.35594	0.7
61.98833	16.5
68.99837	0.9
69.03490	1.0
69.67397	4.7
71.01384	57.7
73.02947	21.4
73.31755	0.7
75.00853	1.5
81.03439	1.1
83.01391	8.9
85.02953	33.6
87.00874	4.4
87.04503	0.9
88.98823	1.5
89.02440	5.8
95.01385	7.2
96.96022	1.6
97.02927	3.6
99.00895	8.1
101.02448	38.0
102.02760	1.0
102.47455	0.7
103.04018	2.2
107.01386	1.0
108.02177	8.7
109.02956	28.1
110.03323	1.0
112.01768	0.9
113.02452	29.6
114.02772	1.0
115.03967	1.1
115.27374	0.8
119.03510	0.9
121.02866	0.8
123.00899	2.1
123.04515	1.1
125.02419	3.0
127.03968	1.3
131.03522	1.3
143.03516	5.1
149.02420	1.0
149.06039	0.9
159.03023	6.0
161.04561	43.9
162.04880	2.2
163.03870	0.9
163.06157	0.9
165.05472	0.8
175.02417	0.9
175.03882	1.0
203.95929	0.8
205.03412	1.1
205.05106	1.3
205.12207	0.9
255.03014	1.7
269.10312	22.3
271.08249	22.5
272.08508	1.4
283.02615	1.3
284.03189	2.3
285.03928	3.4
289.09283	2.2
304.82965	0.9
339.07205	43.7
340.07593	3.7
379.13962	2.0
380.14420	0.9
397.15005	1.1
415.16098	100.0
416.16446	12.4
453.17395	1.2
457.16949	1.4
483.15079	28.5
484.15515	5.1
593.15155	2.3
604.19519	0.9
755.20020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.2
60.99306	1.6
61.98840	15.8
71.01392	3.9
83.01371	2.4
85.02955	2.0
87.00922	1.5
87.35282	1.5
88.98817	6.8
89.02459	2.1
101.02423	3.4
116.92853	2.2
152.01140	3.4
160.01726	1.7
163.00356	1.9
165.05458	2.7
167.03458	5.2
175.03928	2.4
185.06151	1.9
187.03963	3.3
203.07118	3.1
205.08717	3.6
227.03503	14.2
229.05077	5.5
255.02994	25.6
256.03577	2.9
257.04446	3.9
268.07434	5.0
279.06509	1.8
283.02689	2.2
283.09778	4.5
284.03241	30.3
285.04037	35.4
286.04355	2.9
296.06894	3.1
309.07599	2.0
311.09253	10.1
312.06381	2.3
322.08441	2.3
323.09286	5.1
324.10016	2.6
326.07904	2.7
326.11481	2.4
327.08795	10.4
338.11676	2.9
339.08731	35.7
339.12396	2.7
340.09003	7.3
341.10376	3.9
342.11060	10.7
354.11090	22.7
355.11392	3.3
357.13492	24.6
358.13904	3.2
364.02728	1.8
366.37601	2.0
369.13419	100.0
370.13684	12.8
593.15308	5.2
665.24719	2.1
677.24109	10.5
678.24542	2.4
695.25586	4.5
755.20349	25.5
756.20892	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	755.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79166	18.1
61.98831	100.0
71.56328	37.3
71.57449	17.6
78.95910	42.3
120.56573	17.8
170.05009	19.0
199.13402	49.6
256.00879	26.5
277.21744	72.8
336.12036	18.6
351.69955	19.5
702.67657	24.5
709.11249	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	755.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.5
57.03446	2.8
58.00585	1.4
59.01380	24.6
61.98832	9.9
69.03460	1.1
69.80360	2.3
71.01383	34.5
72.99300	2.6
73.02946	14.5
75.00871	1.0
83.01390	9.1
85.02951	23.2
86.00110	1.6
87.00875	4.5
87.04484	0.7
88.98798	1.0
89.02443	5.6
95.01395	3.2
97.02959	1.8
99.00887	5.0
101.02444	29.0
102.02761	0.6
103.04008	0.8
111.00890	7.6
112.01629	0.4
113.02450	15.5
115.03986	0.8
118.16656	0.4
119.03499	1.1
125.02448	2.0
129.01930	1.6
131.03503	1.3
135.04482	0.5
141.01938	1.2
143.03516	1.8
159.02982	2.6
161.04564	3.9
161.05905	0.7
187.03990	1.0
205.07118	0.7
285.27890	0.9
447.33243	5.2
591.37299	2.6
592.37585	0.7
593.39099	1.6
609.38544	36.8
610.38794	5.9
755.44330	100.0
756.44617	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	755.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84704	0.8
59.01382	7.9
61.98828	4.1
66.15473	0.9
70.06148	4.1
71.01373	2.8
76.64434	0.9
78.95872	1.0
85.02950	0.8
87.00874	2.6
88.00381	1.5
89.33311	0.9
95.57747	1.1
98.19992	1.3
101.02434	2.1
102.54178	1.1
113.02426	1.1
127.11287	1.3
156.18739	1.0
157.53918	1.0
161.04544	1.7
183.13950	1.0
199.13391	78.6
200.13753	4.1
235.08206	6.1
253.09303	6.4
277.21722	100.0
278.22104	10.1
287.66000	1.0
459.34760	1.8
466.44452	1.0
606.22681	1.2
657.76489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	7.9
61.98839	3.6
70.93629	3.1
70.93947	1.5
71.01377	2.8
87.00879	4.1
89.02437	2.2
101.02437	2.0
139.66771	1.5
181.12286	1.7
193.85184	1.3
195.76546	1.4
199.13390	100.0
200.13754	8.5
235.08220	2.4
253.09274	11.7
277.21722	73.5
278.22052	7.6
459.34738	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	756.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.4
61.98831	100.0
69.64856	2.1
69.71078	0.4
70.36929	0.4
74.71278	0.3
75.00861	0.4
78.95914	0.6
197.11870	0.8
198.12202	0.7
277.21753	0.4
290.87943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98180	0.3
59.01381	3.0
61.98831	18.9
64.10294	0.3
69.03445	2.1
71.01377	2.7
71.13606	0.6
72.99330	0.5
73.02948	0.7
78.48103	0.3
79.01886	0.6
81.03457	1.0
83.01389	1.4
85.02924	1.8
87.00880	1.0
88.98813	1.6
89.02439	0.5
90.55606	0.3
91.05546	0.4
94.54001	0.3
95.01395	1.4
96.57280	0.3
97.02953	1.8
99.00880	0.4
101.02454	1.7
103.76416	0.4
107.01402	0.9
108.02165	0.8
109.02956	1.0
111.00868	0.5
113.02455	1.3
115.05531	0.6
116.92879	0.5
121.02944	2.5
123.00881	3.6
123.04512	0.9
124.01676	11.9
125.02449	42.7
126.02777	1.2
136.01627	0.4
137.02452	1.7
139.00388	2.0
139.04066	0.4
149.02446	1.0
149.99590	21.4
151.00407	2.5
151.04004	0.8
153.01854	0.5
154.02713	1.2
161.02472	0.6
161.04590	0.6
161.06052	0.5
162.03207	1.3
163.04044	0.8
165.05571	1.0
167.03482	1.4
168.00647	47.0
169.01358	4.3
169.05104	2.1
175.02477	0.4
177.05600	1.3
179.03465	0.8
180.04305	2.6
187.03961	1.3
191.03310	0.4
193.01476	0.5
193.05153	0.6
195.06645	4.0
204.96059	0.4
209.04663	0.3
223.02480	0.3
227.07037	0.6
257.08228	1.4
283.09384	0.4
297.11240	0.4
309.07648	0.5
313.05692	7.4
314.06290	0.4
324.09888	0.4
327.12558	0.7
331.06696	100.0
332.07016	7.8
357.12015	2.0
399.05652	15.9
400.05927	1.6
459.95853	0.3
491.15555	0.8
602.86237	0.4
757.19702	8.0
757.42657	0.8
758.20770	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	757.293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.3
58.04258	0.3
59.00623	0.2
59.01099	0.5
59.01381	5.6
61.98830	10.0
63.99253	0.3
71.01384	5.1
72.99313	0.5
73.02947	1.2
75.00892	0.3
81.03471	0.3
83.01397	0.7
85.02949	1.9
87.00859	0.4
88.98800	1.0
89.02447	0.6
91.87077	0.3
93.03485	0.4
95.01392	0.6
96.96043	0.5
97.02950	0.3
99.00901	0.7
101.02457	3.2
111.00845	0.3
113.02451	1.9
116.92834	0.3
119.04997	0.3
120.73525	0.3
123.04520	0.7
124.01680	0.7
125.02463	0.8
134.03815	0.4
137.02467	1.9
145.02928	0.6
149.02333	0.4
150.03242	1.3
151.02875	0.5
151.04008	5.1
154.05977	0.2
159.03087	0.5
160.01607	0.4
161.02438	1.1
161.04596	1.6
161.05836	0.3
162.03226	26.4
163.03944	2.8
165.05576	4.3
174.01762	0.3
175.02531	0.4
175.03978	0.4
177.05563	7.8
177.07108	0.5
178.06111	0.4
179.03468	3.4
180.04279	67.1
181.04620	3.5
183.28589	0.2
185.58691	0.3
186.77498	0.2
190.02834	0.3
191.03511	0.3
193.05026	0.5
195.06621	100.0
196.06953	4.6
199.19809	0.3
205.05016	0.3
219.06697	0.3
226.06363	0.8
227.07143	1.0
229.03462	1.5
232.31635	0.3
237.07669	0.6
241.08704	0.8
271.09091	0.3
279.08719	0.8
327.10849	0.5
331.17520	2.1
339.07233	0.5
339.10913	0.8
341.10883	0.3
357.11899	56.6
358.12247	4.7
381.11880	1.3
382.12393	0.4
399.16635	3.1
425.10437	1.4
441.17328	0.3
471.13034	0.3
485.23807	0.3
513.50995	0.4
513.58398	0.3
519.32123	0.3
561.22339	0.9
595.18140	1.9
596.19165	0.4
757.28711	1.1
757.41016	0.5
758.29443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
55.66101	1.0
57.03437	1.6
58.00589	1.7
59.01382	37.1
60.99289	3.6
61.98832	44.4
62.22181	1.2
69.21107	2.5
69.21515	9.9
70.05338	1.1
71.01385	33.0
72.99296	2.7
73.02953	6.6
75.00878	3.4
83.01396	8.1
85.02950	14.8
87.00874	4.1
88.03519	1.1
88.98811	24.4
89.02441	12.7
95.01380	2.9
96.96046	1.4
97.02937	1.5
99.00886	3.5
99.04498	1.3
101.02447	19.9
108.02148	1.1
109.02927	1.6
111.00893	1.5
113.02460	10.5
115.00298	1.2
119.03509	3.4
121.02966	1.5
123.00838	2.0
123.04483	3.2
124.01685	2.4
125.02468	5.4
135.04498	2.4
137.02423	1.7
139.00360	3.2
139.04002	1.9
143.03467	2.0
145.02910	1.3
149.99519	1.1
150.03206	2.6
151.03996	3.3
154.02666	1.7
160.01646	1.4
161.02562	2.1
161.04568	3.9
162.03239	14.0
163.03979	2.2
165.05554	2.9
165.25311	1.3
168.00674	2.3
169.05038	3.4
175.03929	1.3
177.05574	11.3
178.05995	1.3
179.03542	2.3
179.05513	1.0
179.12962	1.2
180.04277	14.8
181.04568	1.3
187.04037	1.7
190.02626	2.2
193.05014	1.9
195.06622	24.2
196.06989	1.6
205.05023	1.9
210.94884	1.1
241.21802	1.5
257.08163	1.8
271.09863	1.2
284.03088	1.4
287.22424	2.6
331.06720	2.1
339.07458	1.7
357.11853	14.5
358.12326	1.5
373.12512	1.4
399.05347	1.5
399.16586	2.2
401.14758	1.1
425.10757	2.1
441.17670	2.7
449.27457	6.2
461.73511	1.3
471.18921	1.2
517.18842	1.1
595.17822	1.4
595.33258	8.7
614.81653	1.3
756.18744	1.3
757.38678	100.0
758.38898	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
57.03442	2.1
58.00587	1.6
59.01379	32.3
60.99302	1.8
61.53655	0.8
61.98832	21.9
63.66659	0.6
68.74899	0.7
68.99817	0.8
69.03427	1.1
70.57170	1.5
70.57568	1.6
71.01381	30.9
72.99294	3.5
73.02944	6.2
75.00869	1.7
83.01385	6.4
85.02947	11.9
86.00066	0.7
87.00879	4.5
88.98809	10.2
89.02445	10.5
93.03428	1.0
95.01375	3.2
96.96043	1.1
99.00878	2.9
101.02447	17.0
108.02169	1.6
111.00894	1.2
113.02444	10.5
119.03503	3.0
121.02989	0.8
123.00902	1.3
123.04521	1.1
124.01666	1.6
125.02455	3.9
135.04482	1.3
137.02472	0.9
139.00349	1.7
139.04004	1.2
143.03528	0.8
145.02945	1.2
149.02464	0.7
150.03268	1.7
151.04086	1.1
154.02718	1.3
157.54178	0.7
161.02496	1.2
161.04536	3.4
162.03239	7.5
163.03983	1.8
164.04787	0.8
165.05547	2.0
168.00642	1.5
169.01389	0.7
169.04979	0.9
175.02524	0.9
177.05557	7.5
179.03351	1.3
179.07162	1.0
180.04289	12.5
190.02734	0.9
193.05028	0.9
193.39201	0.7
195.06604	16.3
196.07071	1.4
202.23552	0.7
221.35345	0.7
225.47308	0.8
241.21671	1.4
257.08292	1.0
269.21133	0.8
280.72311	0.8
287.22260	2.2
331.06622	2.2
339.07111	2.0
357.11865	10.4
358.12091	1.3
367.10239	1.0
373.12930	1.7
399.16324	1.0
407.86108	0.8
423.57352	0.8
425.11093	1.6
431.26608	2.1
441.17761	2.0
445.28500	0.9
448.25296	0.7
449.27493	6.8
450.28021	1.0
485.23816	1.0
577.32062	1.5
595.33392	8.8
596.33380	1.7
739.38605	1.1
757.38641	100.0
758.39032	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	758.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
60.56430	0.2
60.99318	0.2
61.98831	100.0
69.26644	0.9
69.27069	0.9
71.01392	1.0
73.02939	0.3
82.06046	0.2
82.40983	0.2
83.01387	0.2
85.02950	0.5
88.23183	0.2
88.98310	0.2
88.98792	0.9
89.02456	0.6
98.19915	0.4
99.00859	0.2
101.02459	0.7
108.02178	0.3
109.02955	0.2
113.02488	0.3
123.04544	0.4
140.48468	0.2
145.02969	0.2
150.03198	0.4
153.05629	0.4
157.99419	0.2
161.04572	0.2
161.06042	0.3
174.58957	0.2
178.02753	0.6
179.03314	0.3
187.03964	0.4
193.05284	1.3
193.07195	1.1
194.05391	0.4
195.06602	0.3
213.05582	0.7
227.07068	0.3
229.03564	0.3
235.08318	0.4
241.05052	2.6
255.06741	0.3
256.07413	8.0
257.07861	0.8
261.06097	1.3
270.08881	0.2
271.09753	11.1
272.10095	1.1
343.10437	0.3
344.10706	0.3
355.10556	0.4
373.11502	0.3
374.11874	0.3
412.09836	0.2
423.11505	0.5
433.15033	10.2
434.15390	0.9
441.10675	0.5
442.10669	0.2
501.13815	1.5
502.14499	0.4
546.00732	0.2
695.21747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99297	0.3
61.98831	100.0
62.98548	0.2
64.69048	0.1
71.26534	0.4
71.68266	0.2
72.99314	0.2
78.00059	0.2
88.98817	1.1
89.02455	0.5
169.51486	0.2
199.13425	0.5
276.45853	0.2
278.21997	0.3
279.23196	0.2
398.54764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76699	1.1
57.03448	1.7
59.01385	7.1
61.98815	1.8
68.99818	2.2
69.35358	10.7
71.01048	1.2
71.01374	7.4
72.50960	1.3
78.11015	1.5
79.63935	1.4
81.03465	7.9
83.01386	5.5
85.02962	3.2
89.02457	3.9
93.03452	4.8
95.01377	3.1
95.05019	4.4
97.02948	6.2
99.04488	1.9
101.02431	3.1
107.48051	1.4
109.02945	5.6
111.04494	3.2
113.02441	3.3
119.05033	17.9
120.05425	1.4
121.02956	4.3
121.06647	1.5
123.04539	19.4
124.04919	1.3
125.02452	12.3
135.04544	6.9
137.02464	8.1
137.06056	5.9
138.03288	2.0
139.03973	6.8
147.04536	2.6
149.02472	2.8
150.03217	1.8
151.03999	2.5
153.05643	1.8
154.92909	1.2
163.04007	4.0
163.07658	1.3
164.04694	1.4
165.01915	4.7
165.05565	9.3
166.02669	3.1
167.03503	22.8
168.03761	1.5
175.03917	1.9
177.01938	2.0
177.05518	2.1
178.02678	1.4
179.03462	8.3
180.04189	4.4
181.05096	2.8
189.05644	6.5
191.03511	3.5
193.01309	1.4
193.05078	4.7
194.05855	1.8
195.06534	1.5
197.04581	4.1
203.03506	1.5
207.02985	5.2
207.06541	2.1
209.04543	20.7
219.03006	2.1
220.03685	2.2
221.04515	3.4
229.08562	2.5
239.05568	9.9
271.09613	1.6
299.09561	1.6
312.20276	1.4
315.08362	1.6
326.24115	1.3
331.06699	1.4
341.10797	2.5
357.09653	2.8
387.11011	1.9
409.09866	4.6
417.17722	1.6
435.12650	3.4
447.12988	1.7
477.14075	16.4
478.14536	3.1
489.14053	7.5
504.77704	1.4
507.15070	5.4
519.15063	100.0
520.15356	15.7
531.15216	3.4
549.16125	74.1
550.16565	12.8
555.78357	1.3
561.16309	4.3
579.17218	22.4
580.17316	3.8
603.17523	1.6
609.41455	1.5
621.18121	12.5
622.18573	2.1
639.19342	18.1
640.19745	4.6
651.19446	6.7
669.20526	3.7
741.22260	3.7
741.37756	1.4
759.23846	11.3
760.24005	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	759.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01368	1.2
61.98833	3.9
62.84109	0.9
63.49124	1.1
68.99828	1.8
71.01397	1.0
73.76708	1.0
73.88036	0.9
81.03459	7.7
81.03811	0.8
83.01386	6.3
88.98809	1.1
93.03442	4.7
95.01404	2.5
95.05016	5.1
97.02946	5.1
99.04521	3.2
101.02416	1.3
107.05019	1.8
108.02139	1.3
109.02958	3.0
111.04530	3.2
113.02503	1.8
119.05020	8.8
121.02979	3.6
123.04525	17.3
125.02458	11.9
135.04575	4.4
137.02431	4.8
137.06055	6.4
139.04004	9.0
145.02977	1.1
147.04544	3.5
149.02382	1.3
149.06113	2.1
150.03310	1.0
151.03995	4.0
161.06068	1.1
163.04005	4.0
163.07732	1.2
165.01944	2.8
165.05588	7.7
166.02589	1.4
167.03493	31.2
177.05553	1.7
179.03513	8.7
179.07077	1.2
180.04224	2.1
181.05072	2.8
189.05595	6.2
191.03520	2.7
193.05069	4.8
197.04501	3.8
202.30833	1.0
205.05043	1.3
207.06616	1.7
209.04543	27.2
210.04929	1.8
219.03055	1.0
219.06523	1.3
221.04536	5.7
223.06032	1.8
233.04532	1.6
235.06093	1.2
237.73413	0.9
239.05626	10.5
249.03879	1.1
251.05673	4.4
263.05521	2.2
269.06625	1.3
273.07718	4.8
281.06735	1.1
285.07693	2.0
313.11325	1.1
315.08704	17.8
315.12137	1.6
316.09439	1.5
327.08649	5.7
328.09158	1.1
345.09799	6.0
357.09784	100.0
358.10202	11.0
369.09677	4.5
387.10837	88.0
388.11179	10.2
399.10852	3.4
417.11917	27.1
418.12134	3.9
429.11584	2.1
441.11783	2.4
459.13071	7.1
471.12985	1.4
477.07455	1.5
477.13950	13.3
478.14377	1.8
489.14075	5.1
507.15219	3.2
621.17731	1.5
639.19434	5.4
651.19342	1.6
669.20203	1.3
741.22327	1.3
759.23608	7.1
760.23126	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	760.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.4
59.34038	1.9
61.98829	42.7
66.95924	2.3
68.01296	1.9
70.10622	1.7
71.01389	18.0
71.55824	3.7
73.02929	2.4
75.00878	2.0
75.50028	2.3
77.65243	2.0
81.03441	2.1
82.95415	79.9
84.00906	100.0
84.95122	37.1
85.02932	4.1
86.55931	2.2
87.00856	3.5
89.02444	16.0
97.02927	2.2
101.02451	14.9
113.02438	5.4
119.03475	4.1
125.02438	8.0
161.04529	3.3
161.67157	2.3
171.52115	2.1
192.57896	2.0
235.08179	10.1
277.21692	42.9
278.22003	5.0
305.08795	2.5
374.98767	2.7
397.13455	57.9
398.13715	4.5
415.14651	24.0
468.63803	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	761.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
57.03449	4.9
59.01107	2.6
59.01381	41.2
61.98832	52.0
65.03906	2.2
67.93733	2.3
71.01386	41.0
71.56206	2.4
72.99301	2.6
73.02953	11.5
83.01404	11.3
85.02959	22.0
88.98806	4.3
89.02445	10.3
93.03440	3.0
95.01373	6.0
97.03006	3.1
99.00880	9.2
101.02430	25.3
102.02794	2.8
112.98597	2.4
113.02454	19.9
115.05520	13.6
117.07080	3.9
119.05024	3.5
121.02884	2.8
123.04519	9.0
125.02437	7.4
133.06607	3.2
135.04526	6.0
136.01678	5.6
137.02397	4.9
143.03505	6.0
145.02917	4.0
146.03746	43.9
147.04161	2.2
149.02515	2.8
150.03204	5.3
151.03954	4.4
152.01102	3.0
159.03046	4.7
161.04550	18.8
161.06081	23.4
162.03279	3.1
163.04002	19.4
164.04800	30.7
165.05478	4.4
166.02650	2.9
167.03476	8.4
175.02477	2.2
175.03957	2.8
179.07132	100.0
180.07466	2.7
181.05090	3.4
185.04614	2.4
187.04001	21.8
191.03371	2.7
195.06599	3.4
205.05087	4.1
207.06487	2.7
229.03439	13.5
240.04269	7.4
267.06613	3.0
271.09485	2.9
283.06122	4.3
284.03229	3.0
295.06122	5.2
298.08408	9.8
310.08432	4.0
313.10950	11.4
315.18054	35.5
325.10822	6.8
341.12549	5.2
343.11795	10.0
355.11627	2.6
357.13464	5.3
357.19168	4.3
373.12869	6.8
383.17105	88.2
384.17395	9.8
386.67996	2.4
387.14441	4.1
409.11426	39.4
410.11734	6.8
471.16333	2.4
473.14853	3.7
519.14343	2.3
527.21423	3.0
545.22369	9.4
616.09509	2.8
694.74902	2.9
725.30200	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	761.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81081	1.1
59.01385	7.9
61.98838	8.2
68.99815	1.2
69.43085	8.5
71.01393	7.8
72.99308	2.0
73.02938	3.1
73.54743	1.1
83.01391	3.1
85.02946	2.7
87.00871	3.3
89.02474	2.0
93.98772	1.0
96.96021	1.8
99.00871	8.6
100.01662	3.5
101.02457	4.2
103.03986	1.0
108.02158	1.0
109.02961	1.5
111.00874	9.2
112.98824	3.8
113.02431	1.6
113.99590	38.2
114.00397	1.9
115.00392	10.4
115.22969	1.0
121.02914	1.2
123.00898	1.4
124.01650	1.7
125.02448	1.3
128.01186	3.5
129.68558	1.0
139.00343	2.3
139.03976	1.4
139.44456	1.0
143.03453	1.4
145.02974	1.9
150.03235	3.3
151.04050	1.3
156.00650	47.9
157.01282	3.1
160.01624	1.2
161.02443	1.4
161.04475	1.3
163.06177	1.7
165.05547	3.3
173.00897	1.7
174.01694	100.0
175.02455	9.0
195.06660	1.8
205.07106	1.2
222.82185	1.0
255.03116	1.2
285.04080	1.8
343.11844	2.7
350.89664	1.1
354.23737	1.2
373.13235	1.2
403.13892	8.2
471.22095	2.0
489.10745	1.9
494.14893	1.0
599.26807	3.6
617.28369	6.6
618.28357	2.1
657.27710	11.2
658.28137	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99675	16.7
59.01383	19.6
61.98832	32.2
70.12225	70.8
73.90440	14.7
73.90923	17.3
93.10070	15.2
102.73994	19.3
185.11794	92.1
197.79005	19.2
211.13376	91.2
277.21753	100.0
397.56305	22.1
761.42450	50.7
786.09332	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	761.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	39.5
66.58515	15.3
67.61206	17.4
71.56769	23.1
75.99109	13.1
80.71957	16.3
105.46054	16.8
118.16672	15.2
143.67950	17.5
180.21143	18.1
183.83240	14.8
185.11812	17.9
189.48097	15.5
192.44357	15.2
211.13388	36.5
231.72728	16.3
234.99600	16.1
277.21762	100.0
278.21744	18.2
320.91348	16.6
460.91541	17.4
538.29767	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	761.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24008	15.6
57.52384	14.0
61.48529	14.1
61.98835	100.0
65.16630	16.8
71.18041	15.8
71.55771	31.5
82.64047	16.7
106.50129	19.0
168.96643	16.5
277.21686	39.3
283.98007	19.0
411.41534	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	761.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58031	0.1
58.68344	0.1
60.21637	0.1
61.98832	100.0
62.99260	0.2
69.83390	0.7
77.99955	0.1
88.78287	0.1
91.56950	0.1
96.79722	0.1
98.20522	0.2
121.42771	0.1
125.54281	0.1
137.26094	0.1
185.49911	0.1
227.80623	0.1
449.02087	0.2
537.12683	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	761.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81645	0.1
61.98832	100.0
68.18565	0.1
70.87711	0.2
73.57400	0.1
321.61847	0.1
327.01355	0.1
328.07440	0.1
353.98227	0.1
442.75555	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	762.5291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12814	4.0
59.01384	32.3
61.98825	15.9
69.95788	8.4
69.96195	15.6
71.01389	14.8
85.02985	5.4
87.00867	6.7
89.02435	29.1
98.20570	6.9
99.77764	4.1
101.02447	15.0
112.94290	5.2
119.03499	19.3
168.00189	4.8
179.05612	8.5
236.66479	5.0
253.25304	5.5
266.11359	4.7
317.94269	4.9
526.84094	5.3
536.26172	5.3
546.48822	22.5
564.49329	9.8
639.77417	5.0
659.37317	5.7
670.55060	4.9
726.55383	100.0
727.55475	28.4
762.53333	25.0
763.53113	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	763.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01382	2.3
61.98827	1.0
71.01363	1.5
81.03455	3.7
83.01383	3.2
89.02478	1.1
93.03460	7.4
95.05039	1.3
98.19852	1.9
100.27016	0.9
108.02099	0.8
111.73682	0.8
118.85907	0.7
123.04527	34.0
124.04832	1.3
125.02422	6.4
135.04530	0.9
137.02425	3.9
146.03740	4.5
149.02408	1.8
150.03261	3.8
151.00343	1.3
151.03987	1.9
155.37407	0.8
163.03972	1.4
164.01170	5.9
164.04834	2.8
165.01865	3.0
165.05566	5.3
166.02704	1.2
167.03494	100.0
168.03809	3.9
179.03552	1.0
179.07111	5.3
180.04280	1.5
180.07390	1.0
181.05118	2.7
181.06644	1.1
185.05968	1.0
191.03502	26.2
192.03758	1.4
193.05000	0.8
195.06596	6.5
199.03952	1.2
205.05017	1.2
209.04488	9.3
209.06064	1.0
221.04581	2.0
223.04048	1.1
225.01892	1.3
225.05568	2.2
225.07631	1.0
227.03438	1.3
227.07063	0.9
229.49341	1.2
241.05002	3.6
243.02966	3.2
253.01456	5.0
253.04996	13.0
254.05322	1.3
255.02881	2.8
267.03024	2.6
268.03717	0.9
269.00867	2.8
269.04318	4.0
270.05112	1.8
271.06122	6.8
281.00845	3.7
285.04028	36.7
286.04355	3.5
291.02826	0.9
293.00937	1.7
295.06088	2.5
296.03134	1.1
297.04037	51.2
298.04272	5.9
309.03979	9.6
310.04269	1.9
316.01535	0.8
318.33771	0.9
329.08759	46.2
330.09039	2.7
335.09317	1.6
353.10449	1.8
373.12848	2.6
403.08191	47.1
404.08688	6.2
421.09219	9.2
421.15070	3.7
422.09671	1.1
433.11374	9.8
434.11765	1.2
583.14600	7.3
601.16583	1.3
760.81464	1.1
763.20813	10.5
764.21368	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	763.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.9
57.03451	3.3
58.00582	0.8
59.01379	22.7
61.98828	5.6
62.75217	0.5
69.03436	0.8
71.01380	46.9
71.02679	1.0
72.01708	1.0
72.99289	2.0
73.02547	0.7
73.02946	13.3
75.00874	0.5
81.03456	0.5
83.01379	9.4
85.02949	25.2
87.00877	2.5
88.98792	1.5
89.02441	9.7
95.01376	4.4
96.96018	0.5
97.02969	2.1
99.00877	6.9
101.02444	34.7
102.02737	0.6
111.00895	0.6
113.02446	21.5
114.81554	0.4
119.03489	2.4
125.02436	3.2
129.01924	1.3
131.03453	0.9
143.03523	2.6
159.02983	2.4
161.04556	13.8
162.04813	0.5
174.79904	0.4
179.05530	1.4
179.90047	0.4
182.93394	0.4
205.03447	0.4
206.93857	0.4
221.06551	0.7
255.32513	0.4
281.00787	0.4
601.40967	10.5
602.41754	2.0
645.39276	0.5
763.46344	100.0
764.46667	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78671	0.2
59.01371	0.4
60.99307	18.4
61.98819	0.3
71.01395	0.5
85.70251	0.2
87.00873	0.9
88.00409	3.5
88.98808	100.0
89.02444	14.6
89.79100	0.2
89.99151	1.0
100.32895	0.2
101.02435	0.3
101.38934	0.2
133.26250	0.2
235.08601	0.2
277.21732	0.7
293.89001	0.3
391.49072	0.2
397.13449	1.0
401.30179	0.3
415.14731	0.3
431.93372	0.2
433.94064	0.2
525.72974	0.3
706.61829	0.3
765.48297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.9
57.03442	3.1
58.00584	1.2
59.01105	1.5
59.01380	23.2
61.98832	5.2
67.90348	0.9
69.03446	0.9
71.01382	52.8
71.55145	1.3
72.99303	4.1
73.02953	14.5
75.00880	1.3
83.01389	10.5
85.02951	29.0
86.81095	0.8
87.00867	3.6
88.98796	3.0
89.02444	11.0
91.08700	0.8
95.01395	4.6
97.02937	1.5
99.00871	5.6
101.02443	34.4
113.02454	22.8
113.03235	1.2
119.03501	2.5
125.02448	2.5
129.01915	1.1
143.03481	3.5
159.02980	3.6
161.04564	16.0
179.05606	2.2
211.13454	1.7
281.44531	1.0
319.49088	0.9
468.98627	0.9
603.42615	10.0
604.43195	2.0
765.47852	100.0
766.48187	28.6
776.52075	0.9
780.44543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09358	0.2
58.22864	0.2
59.01378	2.2
61.98830	2.7
66.33395	0.2
66.55074	0.2
69.20665	0.6
69.21083	1.5
71.01396	0.9
73.02936	0.3
75.00893	0.3
83.01399	0.4
84.75870	0.2
85.02974	0.4
88.98846	0.2
89.02442	0.4
96.95988	0.2
101.02457	0.6
103.59163	0.2
108.02183	0.4
113.02467	0.3
115.05547	0.2
119.05061	0.4
119.41605	0.2
119.94295	0.2
121.03048	0.3
125.02444	0.3
133.06638	0.4
134.03764	0.3
135.04527	1.8
142.48236	0.2
145.02974	1.9
146.03741	50.8
147.04106	2.6
149.02501	0.3
161.06082	14.8
162.06454	0.9
163.04025	1.3
164.04796	33.2
165.05144	1.6
165.30582	0.2
165.88335	0.2
167.03485	0.3
179.07141	100.0
180.07478	5.9
180.09012	0.4
187.04100	0.4
203.05508	0.3
253.08844	0.2
263.07129	0.4
268.67111	0.2
279.99411	0.2
281.08231	0.5
297.07559	0.3
309.07700	2.7
309.11060	0.2
310.08115	0.2
323.09393	0.5
324.10001	1.2
339.12320	2.6
340.12851	0.4
356.44562	0.2
357.13373	0.3
435.47473	0.2
552.34583	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
59.50612	0.2
60.99310	18.0
61.98825	0.6
65.41738	0.2
71.01369	0.4
87.00871	0.9
88.00406	3.5
88.98809	100.0
89.02441	11.7
89.99141	1.2
279.23322	0.8
392.83969	0.3
397.13507	1.1
644.12537	0.3
712.05670	0.3
749.15887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.0
60.20537	0.5
60.49240	0.5
69.70431	2.9
71.01382	3.1
85.02943	0.5
87.00901	0.8
89.02473	1.1
101.02460	2.5
113.02451	1.3
161.04564	1.3
167.14409	0.5
179.05609	0.7
183.13887	6.2
193.12341	1.1
211.13394	94.8
212.13737	5.9
233.22778	0.6
235.08215	5.6
253.09276	8.9
277.21722	100.0
278.22067	11.0
429.21213	1.8
447.22400	4.1
513.30682	1.2
781.96991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38552	0.2
58.40876	0.2
59.01378	0.7
60.99308	16.2
61.98840	1.0
71.01382	0.7
85.02964	0.3
87.00872	0.5
88.00405	1.1
88.01221	0.1
88.98808	100.0
89.02443	4.8
89.99148	1.1
98.20757	0.3
100.01607	0.2
101.02444	0.4
113.02407	0.3
127.00380	0.2
146.73236	0.2
162.03241	0.2
177.05614	0.3
179.03372	0.2
222.73737	0.1
224.72916	0.1
342.02936	0.2
399.13565	0.2
418.11154	0.1
539.65436	0.2
677.49799	1.0
678.50348	0.4
707.35669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.4
61.98831	100.0
62.71678	0.2
66.98904	0.2
71.01388	0.2
76.08625	0.2
84.61452	0.2
89.03003	0.2
101.02456	0.2
123.29282	0.2
126.18047	0.2
126.33231	0.3
165.75740	0.2
211.13388	0.3
309.87259	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2192
Annotation	7-Methylquercetin-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
55.91155	0.9
59.01371	4.1
65.00311	1.4
69.45347	7.8
71.01387	2.1
83.01409	1.2
89.02451	2.0
92.26295	1.0
101.71232	0.8
107.01389	2.5
113.02475	1.0
141.03523	1.1
151.00378	8.8
156.10402	0.9
157.99486	0.9
159.78603	1.1
165.01884	1.8
178.99850	2.5
183.04561	1.6
187.03859	1.0
195.06671	2.1
199.04010	9.5
203.03580	1.1
211.03990	1.3
215.03514	5.3
226.02618	0.9
227.03506	8.8
228.03856	1.0
230.23729	1.1
242.02188	8.4
243.02975	40.6
244.03439	3.4
254.02234	1.1
255.03015	14.4
256.03427	1.6
257.04471	6.2
270.01602	5.6
271.02475	51.5
272.02832	5.1
285.04044	12.1
286.04758	5.9
299.01965	100.0
300.02563	16.8
313.03516	2.8
314.04306	82.9
315.04971	19.5
316.05334	1.3
605.15826	1.3
651.26880	1.0
769.21942	93.0
770.22345	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	769.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
60.99310	16.8
61.98831	1.4
63.94222	0.4
68.99574	1.0
71.01382	0.9
71.13223	0.6
71.13532	0.4
79.82003	0.4
87.00882	1.2
88.00404	3.8
88.98808	100.0
89.02443	16.0
89.03002	0.6
89.99142	1.6
97.93156	0.5
98.20593	0.4
101.02449	2.6
112.98573	1.3
114.93417	5.7
115.00384	0.8
127.94880	0.5
146.09120	0.4
152.15544	0.4
152.54765	0.4
171.10284	0.9
277.21622	0.7
281.24878	0.8
397.13470	1.5
415.14502	0.5
769.44324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.0
61.98831	12.3
66.59046	1.2
70.33886	1.2
71.01359	1.9
78.16041	1.3
78.95888	2.6
84.13601	1.3
89.02468	2.0
101.02354	1.2
113.02493	1.4
191.98541	1.4
213.14954	100.0
214.15337	6.7
235.08163	1.6
253.09261	6.4
267.19586	5.6
277.21719	69.8
278.22021	7.5
293.17572	2.0
510.22955	1.5
590.33020	1.4
770.46051	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	770.345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67408	0.1
59.01379	0.3
61.98830	100.0
62.98532	0.2
71.01382	0.3
85.02998	0.1
89.02420	0.2
91.93974	0.1
98.20670	0.2
101.02417	0.2
116.92918	0.5
117.92889	0.2
150.03310	0.1
164.04776	0.2
164.07184	0.2
165.05573	0.2
180.04240	0.2
188.07162	1.3
191.03619	0.2
195.06583	0.1
330.79169	0.1
331.06766	0.1
534.68555	0.1
587.05225	0.1
707.35443	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98515	0.3
69.98395	0.6
94.83777	0.1
126.78403	0.2
212.13780	0.2
213.14078	0.1
278.22211	0.3
279.22418	0.1
422.96149	0.2
473.63614	0.2
740.05707	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
59.88281	0.6
61.98834	1.4
65.00314	1.4
71.01402	1.6
71.56151	1.1
78.86216	0.7
83.01378	1.4
85.02969	0.7
88.98812	2.9
89.02467	1.7
95.45239	0.7
101.02464	0.7
101.38168	0.6
106.50794	0.6
107.01403	2.6
108.02184	2.1
109.02972	0.9
119.03535	0.8
121.02898	0.9
123.00888	1.0
125.02462	0.7
129.73468	0.6
129.82932	0.7
135.00848	1.2
148.01712	1.9
151.00391	7.8
152.00977	1.1
163.00333	1.6
164.01193	1.0
178.99854	6.3
179.05629	1.1
183.04494	0.9
199.04036	1.9
203.03174	0.6
211.04019	1.3
215.03493	0.8
226.02751	1.8
227.03474	10.1
229.05037	1.0
231.52582	0.7
243.03001	13.0
244.03476	1.4
254.02177	2.8
255.02980	39.6
256.03448	3.7
257.04614	0.8
271.02472	66.2
271.64297	0.7
272.02939	7.0
273.03967	0.8
277.15369	1.2
284.03281	13.3
285.03983	8.5
299.02011	2.4
300.02750	100.0
301.03290	16.6
369.13348	0.8
427.06610	0.7
447.08676	0.7
531.18768	0.8
709.88184	0.7
771.19867	65.8
772.20197	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	771.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86071	1.4
57.03428	1.6
59.01100	2.3
59.01381	30.5
61.98830	1.6
63.08773	1.3
65.00333	2.3
69.45945	2.9
69.46347	9.0
71.01382	38.3
72.99313	2.6
73.02953	7.5
81.38085	1.2
83.01360	4.0
84.15585	1.3
85.02938	5.8
87.00904	2.3
89.02433	17.3
91.05538	1.8
95.01380	4.2
95.05032	1.4
97.02950	2.3
98.25735	1.3
99.00880	2.2
101.02435	17.3
107.01361	2.2
109.02911	2.0
113.02465	14.4
115.05518	2.7
119.03516	9.3
123.04451	1.6
123.08158	1.7
125.02409	2.6
136.05267	2.2
138.06886	8.0
139.07651	4.3
143.03479	3.5
148.01628	1.8
149.06166	1.6
151.00369	7.9
151.07642	9.8
152.08435	12.8
153.08043	2.7
153.09218	38.0
159.02956	3.0
161.04558	15.1
161.05942	3.0
163.00410	2.3
175.00275	1.6
178.99837	7.8
179.04192	1.8
179.05603	10.6
187.04031	8.6
190.02707	7.9
205.05101	12.7
205.12340	16.9
223.06238	1.8
223.13411	17.8
227.03474	3.7
243.02953	12.0
254.02121	2.9
255.02975	27.7
256.03409	1.7
271.02466	62.0
271.05414	3.2
272.02853	5.9
290.95892	1.5
299.01990	5.2
300.02747	100.0
301.03397	19.9
385.11383	9.9
385.18668	37.0
386.18912	3.3
456.63666	1.8
609.14697	5.1
689.04718	1.8
771.19849	56.4
772.20422	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	771.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	5.8
65.00337	1.1
70.56983	2.6
70.70615	0.7
76.61762	0.7
81.79857	0.8
82.92443	0.7
100.90595	0.7
107.01361	2.3
109.02942	1.0
113.79205	0.8
119.05016	2.5
137.02444	1.1
145.02922	2.5
148.01775	0.9
151.00380	8.5
158.03362	0.8
163.00417	1.0
163.04015	2.3
171.04546	1.3
175.02452	1.0
178.99844	2.5
197.11284	0.8
199.04062	2.2
201.01897	0.9
203.03491	0.9
215.03487	2.4
226.02812	0.9
227.03506	3.4
243.02986	5.0
255.02945	7.7
256.03598	1.0
271.02475	63.4
272.02856	5.3
282.01675	0.8
285.03909	1.9
299.01974	100.0
300.02643	37.3
301.03497	38.0
302.03784	2.4
313.03546	1.0
325.09134	1.9
343.04703	1.0
369.52524	0.9
446.83292	0.7
462.07996	13.1
463.08658	6.8
609.04553	1.7
609.14594	49.0
610.15186	7.6
771.19849	58.3
772.20233	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	771.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	4.7
61.98819	3.8
63.02399	1.8
65.00327	1.9
69.49272	9.7
72.99307	1.9
81.22845	1.3
82.55684	1.3
83.01393	5.8
85.02953	6.1
85.29697	1.2
85.80439	1.2
88.98325	1.5
88.98805	8.8
89.02473	2.0
93.03453	1.8
101.02455	2.0
107.01410	3.9
109.02914	1.4
111.00903	13.2
117.03488	1.6
123.00849	1.4
132.02211	1.7
134.03725	3.5
135.04404	1.7
145.02963	1.3
150.03149	1.5
151.00383	12.1
159.04562	1.3
160.01697	1.9
163.00386	3.5
164.01122	1.8
165.05553	1.5
175.03951	3.4
183.04463	2.3
185.06128	2.9
187.02489	4.9
191.05650	8.6
191.12303	1.6
193.05057	4.0
211.04022	2.5
213.05493	1.5
227.03474	13.8
229.05093	8.3
243.02986	2.0
255.02985	48.4
256.03448	4.3
257.04581	8.5
271.02521	7.1
283.02490	42.6
284.03244	35.4
285.04031	99.9
286.04294	7.7
299.01996	7.2
300.02771	4.1
301.03378	2.2
337.09283	4.1
446.08432	2.3
447.09323	15.9
448.09467	3.9
609.14587	100.0
610.14899	18.0
671.82379	1.5
701.89374	1.4
704.58429	1.6
771.19904	11.7
772.20197	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	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57368	0.5
59.01390	2.7
59.70819	0.5
61.98822	1.7
63.02435	1.0
65.00360	0.7
84.03376	0.6
85.02937	0.8
93.03450	1.4
107.01375	1.0
110.00082	3.4
111.00900	1.4
115.00362	0.6
116.04305	0.6
116.25219	0.5
136.98845	0.6
137.99535	1.7
139.00362	3.4
145.02942	2.2
151.00349	3.1
160.87645	0.7
165.99095	4.5
166.99870	1.3
178.99921	1.0
183.04562	1.1
185.06090	1.1
187.04010	1.6
189.05644	0.6
211.04034	1.2
212.04468	0.7
213.05603	0.7
215.03574	1.1
227.03503	7.2
229.05107	1.4
241.05116	0.9
243.02963	3.0
255.02986	28.8
256.03488	3.7
269.04654	0.7
271.02441	3.6
272.03265	1.3
283.02487	38.8
283.42621	0.6
284.03180	14.7
285.04050	100.0
286.04404	8.1
287.02023	0.8
287.71786	0.7
297.03635	0.9
298.05002	0.7
299.02032	1.8
299.32437	0.7
300.02606	4.3
301.03397	2.3
313.43146	0.7
316.02209	8.8
317.02603	1.1
327.05099	2.3
337.21729	0.7
445.17249	0.7
446.08475	5.5
447.09268	12.5
448.09818	1.8
504.13806	1.0
609.14551	37.6
610.15009	8.7
651.15710	1.0
771.19843	27.9
772.20258	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	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00343	0.7
69.20773	7.0
107.01401	2.1
109.02970	1.3
119.19810	0.7
151.00369	9.0
163.00333	0.9
169.01242	0.7
171.04510	0.9
175.00487	1.3
175.04037	0.7
178.99899	2.6
187.04019	1.1
189.75119	0.7
199.04022	3.5
201.01901	0.8
214.80469	0.7
215.03500	1.5
226.02763	0.8
227.03525	2.9
243.02975	5.7
255.03069	5.0
271.02481	65.2
272.02823	5.4
285.04105	1.2
299.01968	100.0
300.02646	33.5
301.03503	42.6
302.03806	4.5
343.04422	1.3
462.08099	12.0
463.08755	8.1
505.57230	0.8
541.07019	0.7
553.01935	0.8
609.04578	1.7
609.14581	41.5
610.14996	7.1
771.19916	64.2
771.85278	0.7
772.20245	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	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.3
61.85767	2.0
61.98829	100.0
63.02412	2.6
65.00327	3.8
69.03452	2.2
69.72932	1.9
69.96644	2.1
70.17975	2.0
71.01374	12.2
72.99294	2.5
73.02956	2.1
83.01391	10.2
83.49955	1.9
85.02929	3.3
87.00891	2.4
88.98803	7.2
89.02437	5.4
93.03468	9.8
95.01385	6.1
101.02450	6.1
102.48339	2.0
105.01927	5.1
107.01392	7.0
108.02196	14.2
109.02939	3.9
111.00856	10.3
113.02434	5.4
116.92844	3.2
117.03461	14.0
119.05033	10.5
121.02908	2.9
123.00887	11.7
123.04531	4.2
125.02460	8.3
131.05023	3.0
132.02203	4.8
133.02924	9.2
135.00885	9.3
135.04555	10.1
137.02524	2.7
139.00352	7.0
141.01967	6.7
143.05025	5.2
145.02937	12.2
147.04553	2.4
148.05270	6.0
151.00398	10.0
151.03864	2.2
152.01164	2.8
153.01895	3.4
159.04491	8.5
161.02440	25.3
161.04510	5.0
161.05959	2.6
161.90990	2.1
163.00311	13.8
167.04944	3.0
171.04514	6.8
173.02460	4.1
173.03857	2.2
174.03114	2.3
176.04750	4.8
177.05653	2.6
178.99861	5.8
179.03485	17.8
181.01483	3.1
183.04533	4.5
185.06075	6.7
187.04036	14.4
189.05586	7.2
190.02745	4.4
191.03514	4.5
200.04762	5.9
200.61156	2.0
201.05554	4.8
202.02759	2.3
203.03552	6.2
211.04033	8.6
213.05548	9.5
213.33957	1.9
215.03503	11.2
216.04118	4.3
217.05003	2.8
226.06383	6.9
227.03465	16.3
228.04097	5.3
229.05026	17.8
232.03757	20.1
233.04617	15.4
239.03508	4.9
240.04100	2.8
241.04941	4.6
241.08728	16.4
243.02965	3.1
248.00665	2.4
251.01247	2.2
255.02928	20.6
256.03690	11.2
257.04562	29.2
258.01541	2.0
258.04721	2.1
259.02554	4.0
267.02811	2.1
271.02420	7.5
272.03317	3.7
283.02496	10.8
284.03320	13.6
285.04034	86.9
286.04370	9.3
300.02786	16.9
301.03433	12.0
338.52939	2.6
341.08765	10.3
382.17746	2.0
409.52914	2.4
410.52292	2.2
431.15622	3.0
453.97449	2.1
547.14832	6.7
549.19611	12.4
661.19641	4.4
703.20642	15.1
704.21216	2.4
709.19470	2.5
727.20880	4.1
729.19031	3.5
771.19897	67.6
772.20020	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	771.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	8.3
61.85767	2.0
61.98829	100.0
63.02412	2.6
65.00327	3.8
69.03452	2.2
69.72932	1.9
69.96644	2.1
70.17975	2.0
71.01374	12.2
72.99294	2.5
73.02956	2.1
83.01391	10.2
83.49955	1.9
85.02929	3.3
87.00891	2.4
88.98803	7.2
89.02437	5.4
93.03468	9.8
95.01385	6.1
101.02450	6.1
102.48339	2.0
105.01927	5.1
107.01392	7.0
108.02196	14.2
109.02939	3.9
111.00856	10.3
113.02434	5.4
116.92844	3.2
117.03461	14.0
119.05033	10.5
121.02908	2.9
123.00887	11.7
123.04531	4.2
125.02460	8.3
131.05023	3.0
132.02203	4.8
133.02924	9.2
135.00885	9.3
135.04555	10.1
137.02524	2.7
139.00352	7.0
141.01967	6.7
143.05025	5.2
145.02937	12.2
147.04553	2.4
148.05270	6.0
151.00398	10.0
151.03864	2.2
152.01164	2.8
153.01895	3.4
159.04491	8.5
161.02440	25.3
161.04510	5.0
161.05959	2.6
161.90990	2.1
163.00311	13.8
167.04944	3.0
171.04514	6.8
173.02460	4.1
173.03857	2.2
174.03114	2.3
176.04750	4.8
177.05653	2.6
178.99861	5.8
179.03485	17.8
181.01483	3.1
183.04533	4.5
185.06075	6.7
187.04036	14.4
189.05586	7.2
190.02745	4.4
191.03514	4.5
200.04762	5.9
200.61156	2.0
201.05554	4.8
202.02759	2.3
203.03552	6.2
211.04033	8.6
213.05548	9.5
213.33957	1.9
215.03503	11.2
216.04118	4.3
217.05003	2.8
226.06383	6.9
227.03465	16.3
228.04097	5.3
229.05026	17.8
232.03757	20.1
233.04617	15.4
239.03508	4.9
240.04100	2.8
241.04941	4.6
241.08728	16.4
243.02965	3.1
248.00665	2.4
251.01247	2.2
255.02928	20.6
256.03690	11.2
257.04562	29.2
258.01541	2.0
258.04721	2.1
259.02554	4.0
267.02811	2.1
271.02420	7.5
272.03317	3.7
283.02496	10.8
284.03320	13.6
285.04034	86.9
286.04370	9.3
300.02786	16.9
301.03433	12.0
338.52939	2.6
341.08765	10.3
382.17746	2.0
409.52914	2.4
410.52292	2.2
431.15622	3.0
453.97449	2.1
547.14832	6.7
549.19611	12.4
661.19641	4.4
703.20642	15.1
704.21216	2.4
709.19470	2.5
727.20880	4.1
729.19031	3.5
771.19897	67.6
772.20020	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	771.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.3
61.98826	0.8
65.58934	0.2
72.99310	0.4
73.02949	1.6
88.98796	0.5
89.02463	0.3
99.00861	0.4
99.92583	10.4
100.92583	0.5
101.02457	0.3
102.31031	0.2
114.93377	0.4
116.92862	100.0
116.97240	3.0
117.01927	2.5
117.92869	5.4
120.73010	0.2
121.57263	0.2
213.60533	0.2
264.49606	0.2
305.44229	0.2
313.19037	0.3
364.36911	0.2
638.85352	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63148	0.2
59.01375	0.8
61.98830	100.0
66.17425	0.2
71.01377	0.9
73.02946	0.2
83.01411	0.6
85.02972	0.4
85.31573	0.1
88.98808	0.4
89.02451	0.3
95.01411	0.3
98.20692	0.2
99.00871	0.2
101.02458	0.5
111.00919	0.3
112.98595	0.2
113.02447	0.8
116.31998	0.2
125.02466	0.3
127.00379	0.4
139.00404	0.4
157.01459	0.2
161.04561	0.4
165.05493	0.3
175.77232	0.2
187.02486	0.2
193.05029	0.2
315.17957	0.2
388.34302	0.2
461.24008	1.2
503.25281	0.7
571.23938	2.5
572.24597	0.2
601.24969	1.0
602.25427	0.2
631.26520	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
61.98830	100.0
62.98538	0.2
71.01395	0.7
73.02959	0.2
83.01389	0.4
85.02966	0.4
88.98804	0.8
89.02444	0.3
95.01392	0.2
95.31345	0.2
98.19907	0.3
101.02467	0.6
113.02435	0.7
116.17202	0.2
125.02458	0.3
127.00391	0.3
161.04559	0.3
178.02702	0.1
187.02435	0.2
187.04059	0.2
190.02777	0.2
193.05103	0.4
205.05162	0.2
226.14003	0.2
257.04446	0.3
272.06934	0.4
287.09424	0.3
315.18298	0.2
449.14743	0.2
461.23795	1.0
503.24954	1.1
559.89905	0.2
571.23944	1.4
572.24561	0.3
601.24945	0.7
611.21741	0.2
772.29919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04397	0.3
59.06736	0.2
61.98829	100.0
65.66789	0.2
67.85001	0.3
78.95923	0.4
80.93009	0.3
82.70011	0.3
87.27572	0.3
89.28837	0.3
89.61294	0.2
92.32542	0.3
94.15718	0.3
98.19818	0.6
110.39181	0.3
277.21829	0.3
298.70108	0.3
346.44342	0.3
369.49185	0.4
469.12927	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35561	0.3
61.98832	100.0
71.13042	0.7
72.53624	0.3
73.15380	0.3
90.11621	0.3
94.86129	0.4
231.82951	0.4
267.80096	0.3
372.09909	0.4
373.71786	0.3
390.85727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.3
59.01373	2.0
61.98827	2.8
65.41629	0.2
66.69189	0.3
67.04716	0.3
68.25645	0.3
68.42816	0.3
71.01381	3.8
73.02954	1.0
78.50451	0.3
81.03434	0.3
83.01371	0.4
83.04979	0.3
85.02937	2.3
87.00885	0.3
89.02434	0.6
89.59338	0.3
93.03419	0.3
95.01385	0.9
97.02975	0.5
98.20639	0.8
99.00899	0.5
101.02451	1.4
108.02156	2.9
109.02959	5.9
113.02423	1.8
116.92853	0.5
123.00917	0.4
125.02448	0.8
143.03470	0.4
151.00339	0.4
155.98068	0.3
159.03020	0.5
161.04576	2.1
163.77251	0.3
165.05518	0.3
169.46480	0.2
187.03902	0.4
203.05534	0.4
213.05557	11.9
214.05896	0.9
229.03537	1.3
229.22345	0.3
241.05058	41.3
242.05415	3.1
250.10143	0.3
253.07201	0.7
255.06592	1.7
256.07401	90.9
257.05261	0.5
257.07748	7.1
270.08926	0.3
271.09753	100.0
272.10089	9.2
286.63544	0.3
313.09238	0.8
339.07196	4.1
340.07538	0.6
415.13696	0.4
423.09512	0.5
433.15005	59.2
434.15332	7.5
501.13977	4.0
502.14014	0.5
593.26343	0.3
617.90527	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.2
70.14549	0.7
78.95905	10.0
79.95741	3.7
90.98661	0.2
94.54935	0.2
94.98077	0.6
96.00911	0.2
96.96015	100.0
96.96924	12.1
97.95951	0.4
152.31090	0.2
397.13623	0.2
407.17502	0.3
435.08246	0.2
439.39380	0.2
453.09042	0.4
713.30560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51043	0.2
55.90512	0.2
59.01391	0.3
61.98832	2.0
68.72980	0.3
71.38426	0.2
78.95909	7.2
79.95747	4.2
94.98102	0.6
96.00941	0.3
96.96017	100.0
96.96918	8.2
97.95946	0.4
98.02480	0.4
98.19886	0.8
98.90678	0.5
112.15356	0.2
131.62260	0.2
222.86034	0.2
453.09155	0.4
666.60663	0.3
713.30487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	12.9
60.99319	0.8
61.98832	100.0
71.01390	9.6
71.56304	0.8
72.99322	1.5
73.02951	1.7
81.03471	2.3
83.01414	1.3
85.02937	3.8
87.00884	1.6
88.98828	2.1
89.02442	7.5
89.02840	0.7
93.03483	3.4
95.01395	1.5
101.02458	5.3
109.02949	4.7
110.14592	0.8
113.02445	4.3
116.92885	0.7
119.03533	3.9
121.02960	4.2
122.03734	8.0
123.00905	1.4
123.04534	10.2
124.01716	2.1
133.02960	1.2
134.03745	1.0
135.04504	1.0
136.01663	1.6
137.02458	11.5
138.03284	1.0
139.00383	1.1
139.04031	1.7
143.03494	0.9
145.03011	1.5
147.04512	0.9
149.02451	17.5
149.06033	0.7
150.03226	59.7
151.00362	6.1
151.03889	3.1
152.01004	0.7
152.04822	2.5
159.04523	0.8
161.02472	1.2
161.04538	2.7
162.03186	1.1
163.04045	2.2
164.04761	5.2
165.01927	5.4
165.05574	70.1
166.02724	19.4
166.05930	2.4
167.03456	3.1
175.03983	2.8
177.01877	0.9
177.05612	2.9
178.02701	0.9
179.03542	2.4
179.05653	1.7
179.07144	1.7
180.04280	6.5
181.05077	21.9
182.05400	1.2
187.00331	0.7
187.04097	2.5
190.02742	1.1
191.03477	0.8
193.05098	1.2
195.06633	43.8
196.06995	2.6
202.06342	0.9
205.05080	4.2
207.06670	1.0
219.92973	0.8
220.07420	3.3
225.07755	3.8
245.08179	5.4
327.10910	2.3
329.10318	1.2
331.17548	1.3
339.08795	2.3
354.11313	1.0
357.12070	1.5
369.13477	4.1
372.12354	1.1
375.12985	1.1
387.10712	3.3
387.14920	4.9
395.10153	0.9
399.16699	3.0
402.13312	3.0
403.14090	1.3
407.13464	1.8
416.14932	2.0
417.15558	32.9
418.15955	4.4
443.12234	2.7
444.12131	1.2
535.15710	1.3
550.18506	1.6
565.20764	37.9
566.21021	7.1
583.21863	1.3
613.22888	21.0
614.23297	4.3
622.29913	0.8
675.74066	0.9
713.24744	0.8
775.33289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.5
57.03446	9.5
58.00586	4.2
59.01381	61.1
60.01700	1.5
61.98532	2.2
61.98833	40.9
69.03457	2.7
71.01385	67.9
72.99307	4.7
73.02944	19.2
75.00874	2.5
77.83196	1.6
81.03457	1.5
83.01395	8.0
85.02451	1.8
85.02953	31.3
87.00869	10.3
87.04508	3.6
88.98793	5.1
89.02438	23.5
95.01370	4.7
97.02958	2.7
98.20623	7.1
99.00882	9.6
99.04556	1.7
101.02445	45.5
103.03999	2.9
108.02174	15.5
111.00874	6.6
113.02453	28.7
114.60073	1.6
115.05532	12.0
118.82832	1.6
119.03492	8.4
121.02938	1.9
123.00883	1.7
123.04525	15.1
124.01648	2.5
125.02404	5.8
127.04032	1.7
129.01971	5.2
131.03494	5.4
135.04565	1.8
143.03482	5.7
149.13647	1.4
153.05518	2.6
159.02983	2.4
161.04536	10.3
161.06044	4.7
162.03204	1.9
163.03951	5.1
163.06146	3.6
167.03444	2.9
179.05659	1.6
187.04010	20.0
188.04225	2.4
195.03134	1.8
203.22656	1.6
205.07156	3.8
213.05508	3.9
218.46175	1.6
239.74626	1.6
241.05060	22.5
256.07416	57.8
257.07785	7.6
271.09760	71.6
272.10071	7.6
285.03851	2.3
323.78973	1.7
383.11349	1.8
399.09070	2.8
399.23642	5.9
411.14523	1.8
415.14471	1.9
433.15033	36.0
434.15302	4.1
473.14340	4.6
475.16010	11.8
476.16534	2.2
503.32053	2.8
507.26242	2.1
521.33173	4.6
527.28217	2.4
543.27972	5.7
545.29608	5.3
559.17688	1.9
561.29224	19.0
562.29205	5.3
577.19196	20.9
578.19397	5.6
602.93359	1.7
633.84924	1.8
639.16632	1.7
639.38080	1.7
671.32721	5.8
672.33008	2.6
689.34198	14.0
690.33643	2.5
707.34912	100.0
708.35333	24.3
731.36102	1.9
762.29639	1.9
766.92584	1.8
775.33795	38.2
776.33722	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	775.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98826	1.3
70.30529	0.7
71.01372	0.4
73.64883	0.2
75.56278	0.2
78.95908	10.4
79.95741	3.8
80.46349	0.2
94.92488	0.3
94.98073	0.4
96.92209	0.7
96.96015	100.0
96.96928	13.4
97.95961	0.4
132.59851	0.2
143.03375	0.2
170.71870	0.2
176.88225	0.2
198.40442	0.2
279.23364	0.7
341.74310	0.2
363.26358	0.2
397.13602	0.4
409.19019	0.4
415.14246	0.2
435.07950	0.4
453.09290	0.5
453.15985	0.2
715.32361	1.0
760.34277	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4133
Annotation	Lyciumoside IV
Peak:m/z	Relative Intensity
55.01885	4.4
57.03432	3.6
58.00597	2.3
59.01382	54.7
61.34065	0.9
61.98832	45.9
69.03453	1.7
71.01382	62.1
71.55188	1.1
72.01714	1.6
72.99292	4.1
73.02946	19.8
75.00860	1.1
83.01392	8.6
85.02954	29.8
86.00081	2.1
87.00877	11.0
87.04503	1.8
88.98821	1.1
89.02444	19.6
91.05515	1.6
95.01392	5.8
97.02943	1.8
99.00847	5.3
99.04473	1.1
101.02448	37.2
103.03989	3.6
108.02134	1.2
109.02854	0.9
111.00857	3.6
113.02453	23.1
115.04015	2.8
115.05522	8.8
116.92764	1.0
117.07056	2.9
119.03511	8.5
121.02895	1.3
123.04485	4.1
125.02441	1.9
129.01921	1.8
131.03494	6.0
136.05305	6.0
143.03496	8.8
145.04933	1.1
150.03149	1.1
151.06577	1.2
151.07654	14.1
159.02998	1.4
161.04529	5.2
161.06038	6.5
162.06421	1.0
163.03926	2.6
163.06104	8.1
175.02496	1.1
175.03978	2.4
179.05466	1.5
180.04211	3.9
187.02498	1.3
187.03998	12.0
188.04352	1.1
195.06606	6.9
205.05194	1.8
205.07140	8.1
247.08102	2.6
256.07407	2.5
257.07773	1.6
271.09641	1.5
272.10031	2.1
273.10391	1.1
339.07190	2.2
357.11832	3.3
433.14987	1.5
434.15375	1.4
437.28796	0.9
467.23438	1.9
467.29996	6.1
467.36078	1.1
468.29575	1.0
473.14380	1.9
477.23331	1.0
566.82062	1.1
611.34198	3.2
613.35797	6.5
629.35437	36.4
630.36029	6.2
679.55115	1.1
775.41693	100.0
776.41791	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.77794	26.3
66.62328	28.7
70.56641	52.9
85.76590	28.6
121.86470	32.2
183.08099	29.0
211.13373	78.0
226.95670	29.1
277.21802	48.4
364.40662	31.5
367.59296	31.6
533.23108	33.0
629.85834	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98841	1.1
69.43791	0.1
70.00332	0.5
71.01379	1.1
78.95904	4.0
79.95739	3.2
83.01361	0.1
85.02956	0.4
89.02450	0.5
94.98097	0.3
95.01374	0.2
96.96015	100.0
96.96905	5.6
97.95952	0.4
99.00890	0.1
101.02448	0.6
108.02177	0.3
109.02971	0.2
111.00879	0.2
113.02460	0.4
119.03515	0.3
121.03027	0.1
123.00908	0.5
123.04539	0.2
124.01653	0.3
125.02406	0.2
134.03717	0.1
135.04492	0.2
136.01736	0.1
137.02440	0.4
138.03265	0.2
139.04022	0.2
145.02934	0.1
149.02438	0.1
150.03261	0.3
151.03995	0.2
152.01186	0.4
153.01921	0.2
155.55423	0.1
156.12247	0.1
159.16415	0.1
161.04561	0.3
161.05989	0.1
165.01930	2.0
165.04361	0.1
165.05518	0.7
166.02573	0.1
167.03494	0.4
175.02501	0.2
175.03966	0.3
178.02711	0.2
179.03481	0.4
179.05626	0.2
179.07104	0.1
180.04300	1.0
193.04987	0.2
195.06621	1.3
196.06958	0.1
210.05423	0.1
211.06059	0.2
223.06104	0.2
225.07686	0.8
256.07050	0.1
261.45694	0.1
266.78204	0.1
271.09799	0.2
311.07803	0.4
321.00058	0.1
337.09421	0.1
339.12314	0.2
357.64514	0.1
361.12753	0.1
369.13718	0.1
399.16611	0.2
451.12518	0.8
453.42682	0.1
465.13791	0.1
523.20105	0.2
565.20984	0.3
727.26849	0.2
775.29071	0.2
775.47070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42427	0.1
61.98831	100.0
71.44478	0.2
89.49615	0.1
114.33257	0.1
116.52453	0.1
120.91758	0.1
242.49681	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	776.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
61.98831	100.0
71.01361	0.2
71.55012	0.2
71.55354	0.3
73.25700	0.3
83.41836	0.2
85.02986	0.3
96.88024	0.2
101.02514	0.3
127.04042	0.6
165.05630	0.3
168.49243	0.2
175.70061	0.2
312.05038	0.2
713.26270	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57351	0.1
61.98831	100.0
69.60347	0.1
70.96673	0.4
74.95565	0.2
81.74628	0.1
91.86687	0.1
97.94406	0.2
101.99331	0.1
109.14825	0.1
110.43661	0.2
134.03748	0.4
135.04564	0.2
149.08188	0.1
149.91681	0.2
160.01743	0.2
160.41342	0.2
180.30835	0.1
187.04251	0.2
269.17273	0.2
420.79025	0.2
456.31644	0.2
478.41968	0.2
493.14264	0.1
713.25684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60807	1.8
59.01384	26.6
61.98829	17.6
71.01383	22.7
71.19164	2.9
85.02940	2.9
87.00899	1.9
89.02450	26.2
95.53343	1.7
99.94527	1.9
101.02447	15.4
106.96400	1.7
113.02457	8.6
118.89703	1.7
119.03484	15.0
131.23981	1.7
143.03439	2.3
161.04547	2.5
174.96771	2.0
176.87762	1.8
179.05565	9.7
213.46344	1.7
237.59081	2.4
253.25424	3.6
278.24753	2.0
281.24893	2.0
299.26129	2.7
560.50592	17.1
561.50580	4.5
578.51373	6.1
579.51508	2.2
740.56891	100.0
741.57257	27.5
776.54205	24.0
777.55225	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	777.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.9
57.03442	2.5
58.00589	1.2
59.01384	18.4
61.98832	35.3
71.01385	37.0
72.99305	2.3
73.02953	10.4
82.42318	1.0
83.01402	6.3
83.57265	0.9
85.02957	17.9
87.00877	2.2
89.02003	1.0
89.02445	6.1
93.03452	3.5
95.01395	4.4
97.02930	1.6
99.00881	5.5
101.02448	23.1
102.06696	1.1
103.04026	1.8
105.12019	1.1
108.02168	8.0
109.02956	13.1
113.02453	18.6
115.05539	1.8
119.03528	1.6
119.05063	1.5
121.02953	2.9
122.03749	7.8
123.00875	1.7
123.04559	2.9
124.01643	1.0
125.02432	3.8
127.04057	1.1
135.04521	1.4
137.02434	2.4
138.03215	1.6
142.17404	1.1
143.03517	2.6
145.02966	1.6
147.04514	1.7
149.02451	9.3
150.03233	32.9
151.03920	3.8
159.02994	3.9
160.01607	1.1
161.04567	19.3
161.05920	1.4
162.03220	3.3
162.42120	1.0
163.03996	1.2
164.04813	1.5
165.05565	25.4
175.04001	11.8
177.01973	2.3
177.05542	4.4
180.04272	2.4
181.04967	1.1
187.04036	3.5
190.06364	3.9
192.04301	1.1
195.06635	13.5
205.05032	1.4
207.06538	1.7
207.86476	1.1
210.06870	1.6
218.05800	3.9
221.06601	1.5
222.05176	5.6
225.05690	1.3
226.06271	1.2
230.39835	1.6
235.07864	1.2
237.05673	1.4
238.06374	4.1
241.05040	2.9
242.05679	1.2
249.05559	1.8
250.06276	1.6
251.07088	1.2
253.04990	2.7
254.05843	2.3
256.07404	1.3
265.05069	2.7
266.02716	1.0
266.05768	6.5
269.08267	1.5
271.07965	7.2
277.05225	2.2
278.05853	15.4
279.06528	3.2
280.07281	1.4
281.04538	4.2
281.08200	5.0
282.05267	3.1
291.06622	1.9
291.18130	10.2
292.07138	1.4
293.04449	1.9
293.08054	1.2
294.05292	2.9
295.06165	1.5
296.06906	1.5
297.07593	3.9
306.05377	13.3
307.06058	10.5
308.06482	2.4
309.04004	5.4
309.07693	4.9
310.04648	6.0
320.06955	4.3
321.07669	35.2
322.04681	3.0
322.08334	9.5
324.06320	8.4
325.07138	27.0
325.10220	1.1
326.07559	3.5
335.09293	2.5
336.09924	11.9
337.07156	29.1
337.10712	4.2
338.07693	4.0
339.07434	20.6
340.09531	20.9
341.10150	3.0
342.10574	1.2
343.11810	3.3
351.08838	1.3
352.09583	5.9
353.10480	2.0
354.11124	8.1
355.07388	1.7
355.11865	60.2
356.12286	5.9
367.11850	100.0
368.12207	13.2
370.78284	1.0
385.13098	2.4
437.23907	48.7
438.24261	4.8
473.14444	2.2
503.17041	1.6
505.22919	13.7
506.23422	1.3
533.17993	5.7
537.77148	1.1
551.18671	2.1
581.20239	8.7
582.20660	1.4
697.08026	1.2
699.24530	14.9
700.24152	2.4
709.35071	2.4
729.25946	4.8
747.26788	3.0
777.26758	6.4
777.44312	4.4
778.27905	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	777.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58324	1.1
57.03453	1.9
59.01380	17.9
61.98831	35.9
71.01386	32.0
71.09988	1.3
71.10342	2.1
72.99325	2.1
73.02950	12.2
75.00896	1.7
78.36579	0.9
81.03484	1.3
83.01395	5.9
85.02947	18.7
87.00883	2.6
88.98801	2.5
89.02461	5.9
93.03471	3.0
95.01389	5.8
97.02960	2.1
98.60484	0.9
99.00890	3.7
101.02441	23.4
102.02717	1.1
103.04037	1.3
108.02176	6.1
109.02954	12.7
109.68966	1.1
111.00868	1.5
112.98634	1.2
113.02454	14.9
115.00388	1.5
115.05505	1.1
119.03491	1.5
119.05040	2.5
121.02932	2.8
122.03769	5.3
123.00914	2.7
123.04509	2.5
125.02445	2.5
136.01682	1.7
137.02477	2.4
143.03503	2.0
147.04565	2.7
149.02425	10.1
150.03229	35.2
151.03873	2.0
159.02983	3.2
161.04579	18.4
161.05984	1.3
162.03224	2.7
163.03934	1.8
164.04822	3.2
165.05580	25.5
166.02710	1.9
166.05885	1.1
169.01402	1.1
175.02505	1.8
175.03960	12.1
176.04411	1.1
177.01932	1.7
177.05580	5.8
180.04364	2.2
187.04053	3.1
188.04744	2.0
190.06372	2.7
193.05026	2.4
195.06615	13.2
196.06923	1.0
205.05081	1.2
207.06544	2.0
210.06815	1.5
218.05801	4.0
221.06404	1.4
222.05357	4.7
226.06308	1.3
227.06970	1.3
237.05568	2.0
238.06383	3.1
241.05099	2.7
242.05905	1.4
250.06274	2.5
254.05708	2.1
256.07361	2.4
257.04520	1.9
266.05798	6.0
267.02777	1.7
267.06531	1.4
271.08154	6.9
277.04962	2.4
278.05817	13.3
279.06470	2.9
281.04514	5.4
281.08078	4.4
282.05420	3.0
291.06818	1.9
291.18158	8.9
292.07452	1.6
293.08157	2.6
294.05389	2.2
295.05908	1.3
297.07654	4.4
305.04526	1.7
306.05325	10.8
307.06030	10.0
307.08987	1.4
309.04044	5.2
309.07709	5.0
310.04782	6.1
310.07980	1.2
320.06778	5.0
321.07632	38.1
322.04797	2.4
322.08368	9.7
323.09073	1.3
324.06378	7.8
324.09869	2.1
325.07156	26.8
326.07721	2.6
335.09360	1.9
336.09967	14.6
337.07178	31.5
337.10846	4.7
338.07672	3.7
339.07883	20.9
340.09500	21.9
341.10159	4.0
342.10678	1.1
343.08084	1.1
343.11932	2.7
352.09503	9.0
353.10184	3.4
354.10983	10.2
355.11841	63.9
356.12231	5.9
357.13477	1.7
367.11844	100.0
368.12207	10.2
381.43021	1.2
385.13025	2.3
403.13919	1.9
437.23883	44.9
438.24008	2.9
473.13928	1.6
497.06000	1.2
498.67404	1.7
503.17249	1.9
504.17328	1.3
505.22952	12.6
506.22958	2.0
507.59683	1.1
533.17755	5.3
551.19312	3.2
581.20270	11.1
582.20239	2.4
699.24628	16.1
700.24506	3.3
717.52289	1.3
729.25433	2.3
747.26770	2.3
748.26135	1.2
777.28076	7.8
777.44092	4.5
778.27844	2.3
782.57391	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.2
59.01381	40.8
59.32383	0.2
60.01721	0.4
61.98827	1.3
69.03457	2.9
70.56926	0.5
71.01384	3.1
72.99332	0.3
73.02947	4.0
79.01911	0.5
81.03455	1.7
83.01385	1.3
85.02959	0.8
87.00860	0.3
89.02449	0.8
91.05537	0.2
93.03472	0.5
95.01377	0.9
95.05066	0.2
97.02956	3.5
99.04639	0.2
99.34779	0.2
101.02448	2.8
107.01409	0.5
113.02442	1.6
115.05540	62.9
116.05876	3.2
117.03473	1.9
117.07104	5.9
118.03792	0.3
118.07459	0.2
119.03527	0.6
121.02919	0.2
123.00903	0.4
123.03626	0.4
123.04522	8.5
124.04870	0.4
125.02447	10.0
126.02762	0.4
128.88828	0.2
131.03461	0.3
143.03482	0.7
143.05034	5.8
144.05360	0.3
161.06071	16.8
162.06415	0.9
168.89522	0.2
179.05664	0.2
185.04527	0.7
187.04002	100.0
188.04344	5.9
203.05568	0.3
205.05077	3.6
245.06703	0.2
285.09784	4.0
323.11362	2.4
324.12006	0.2
341.10904	0.8
345.11880	3.6
346.12213	0.3
387.14310	0.3
413.33527	0.2
455.26733	0.6
473.14484	11.1
474.14914	1.9
511.14499	0.7
515.15204	0.5
646.52167	0.2
779.23914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17228	0.7
59.01378	96.1
62.50965	0.6
68.99817	0.9
69.03461	3.7
71.01386	5.5
72.99332	0.7
73.02944	11.6
79.01891	1.2
81.03453	3.6
83.01401	3.1
85.02969	1.7
86.79926	0.7
95.01399	1.3
97.02963	5.3
99.00895	1.4
101.02439	5.9
113.02457	2.2
115.05536	59.4
116.05883	3.4
117.03458	1.5
117.07104	25.1
118.07436	1.6
119.03500	1.1
123.04519	14.3
124.04866	0.7
125.02443	20.5
127.03953	0.6
143.03511	2.1
143.05014	6.1
161.06076	86.9
162.06418	4.1
168.11374	0.7
185.04546	1.6
187.04002	100.0
188.04324	6.9
203.05653	0.8
205.05025	5.8
217.39001	0.8
229.81813	0.8
285.09814	5.3
323.11337	16.6
324.11664	1.3
345.12122	4.2
436.19095	0.7
473.14444	11.2
474.14612	1.3
489.17224	1.6
511.14401	6.4
779.24115	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	779.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83196	0.4
58.23470	0.4
59.01379	56.9
60.01715	0.4
61.98829	2.7
67.38898	0.3
69.03461	2.7
71.01380	5.1
72.99289	0.4
73.02946	12.7
75.00881	0.7
79.01923	0.5
81.03469	1.3
83.01385	2.4
85.02986	0.8
85.85202	0.4
91.05538	0.5
93.03489	0.4
95.01363	1.1
96.95971	0.5
97.02943	3.8
98.19816	0.6
101.02444	8.8
113.02441	1.7
115.05536	70.3
116.05881	2.7
117.03457	1.9
117.07110	13.5
118.07416	0.7
119.03492	1.8
119.05054	0.4
121.03001	0.5
123.04529	7.0
124.04870	0.5
125.02442	12.9
126.02809	0.6
131.03482	1.0
143.03487	1.4
143.05038	6.5
144.05328	0.5
149.02423	1.2
150.03264	3.5
161.06070	41.9
162.06404	2.4
165.05562	2.9
176.93399	0.4
185.04593	0.8
187.03998	100.0
188.04340	5.9
195.06590	2.4
203.05478	0.6
205.05049	6.3
219.12811	0.4
245.06554	0.7
279.10934	0.4
285.09741	2.2
323.11337	6.1
324.11697	1.1
345.11942	1.4
346.45499	0.5
473.14514	16.8
474.14871	2.9
489.17703	0.8
511.14594	1.6
549.56030	0.4
565.06482	0.5
779.23889	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14296	0.1
56.23796	0.1
59.01134	0.2
59.01384	1.7
61.98830	0.3
69.49158	1.0
71.01383	0.2
73.02938	0.4
83.01410	0.2
91.05534	0.7
93.03470	0.6
95.05037	0.2
101.02464	0.3
111.12677	0.1
115.05537	74.3
116.05876	3.4
117.03460	2.2
117.07108	6.0
118.07451	0.3
121.02959	0.3
123.04523	3.2
124.04870	0.2
125.02458	0.5
132.05768	0.2
143.03865	0.3
143.05026	6.6
144.05330	0.4
158.03702	0.2
161.06075	10.8
162.06390	0.7
167.03531	0.1
180.65773	0.2
187.04001	100.0
188.04337	6.9
189.05598	0.2
205.05051	7.2
206.05376	0.6
221.09691	0.5
223.11331	0.3
267.10193	0.3
285.09909	0.1
356.97104	0.1
473.14493	24.0
474.14853	3.7
515.15234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
56.57587	0.6
59.01380	100.0
61.98832	5.8
65.46458	0.5
69.03452	4.6
70.56077	1.0
71.01385	8.0
72.99319	0.9
73.02953	9.0
81.03465	2.7
83.01399	4.1
85.02965	2.7
89.02452	0.6
91.05540	1.7
95.01389	1.7
97.02952	5.2
97.26297	0.7
99.00883	1.6
100.56776	0.6
101.02446	7.0
107.01395	1.0
113.02442	3.4
115.05536	59.7
116.05899	2.8
117.03465	2.2
117.07107	26.2
118.07444	1.6
119.03508	1.3
123.04527	14.9
125.02454	19.6
133.06596	2.3
137.02455	0.7
143.03526	1.9
143.05019	6.4
161.06076	87.1
162.06406	4.4
163.04019	2.0
185.04532	1.6
187.03998	98.7
188.04349	5.9
203.05597	1.0
205.05051	5.1
217.60646	0.6
285.09763	5.7
323.11340	17.6
324.11713	1.7
345.11780	3.7
373.34296	0.7
473.14468	13.0
474.14563	2.3
489.17310	1.2
491.15668	3.7
511.14615	4.5
729.73260	0.6
779.23785	2.3
779.46362	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	779.24
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
61.98524	0.4
61.98832	4.7
69.03468	0.2
69.07616	0.2
70.44099	0.2
71.01389	2.6
73.02946	1.1
80.75926	0.2
83.01380	0.6
85.02944	1.4
87.00884	0.3
88.98824	0.2
89.02449	0.5
91.05554	0.6
93.03475	0.5
95.01382	0.2
95.05010	0.3
97.02961	0.3
99.00867	0.4
101.02438	2.0
113.02457	1.3
115.05534	75.6
116.05880	3.9
117.03466	2.5
117.07101	6.7
118.07434	0.2
118.80154	0.2
121.02968	0.3
123.04514	3.3
124.04844	0.2
124.65022	0.2
125.02415	0.7
129.01997	0.2
129.05371	0.2
133.06592	0.5
143.03519	0.7
143.05025	6.8
144.05376	0.3
145.02940	0.3
145.06584	0.3
161.04622	0.6
161.06068	14.1
162.06421	0.8
163.03960	0.3
163.44795	0.2
168.69368	0.2
187.03995	100.0
188.04332	6.2
205.05042	7.9
206.05371	0.6
221.09695	0.5
230.74239	0.2
249.08951	0.2
261.41714	0.2
267.10181	0.4
285.09537	0.3
310.03275	0.2
323.11200	0.3
473.14502	23.0
474.14783	2.7
515.15308	0.6
779.45941	3.0
780.45581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03449	0.9
58.67285	0.3
59.01381	92.2
60.01718	1.0
61.98832	13.1
67.01927	0.3
68.99821	0.6
69.03446	1.7
69.36705	0.3
71.01386	12.7
71.55509	0.6
72.99322	1.1
73.02934	2.0
75.00872	1.3
77.25174	0.3
81.03465	1.2
83.01394	2.2
83.05001	0.5
85.02955	12.6
87.00879	1.1
88.98809	0.3
89.02454	0.9
91.05552	0.5
93.03470	0.7
95.01388	2.2
95.05063	0.7
97.02963	4.0
99.00876	2.6
99.04530	0.7
101.02444	4.2
109.02959	0.5
111.00890	0.3
111.04524	0.4
113.02451	12.7
115.05540	63.9
116.05884	2.7
117.01953	1.2
117.03445	1.8
117.07110	27.3
118.07448	1.0
119.03497	0.9
121.02944	0.6
123.04525	14.2
124.04840	0.5
125.02447	12.4
126.02795	0.4
127.04046	2.5
133.06612	1.0
137.02472	0.7
143.03497	13.4
143.05020	5.6
144.03830	0.5
144.05408	0.4
145.02980	0.7
149.02420	0.3
155.03508	5.7
155.12048	0.3
157.04955	0.3
161.06079	100.0
162.06432	5.8
167.03551	0.6
185.04549	11.9
186.04881	0.5
187.04007	96.3
188.04358	5.7
196.74367	0.3
203.05563	0.8
205.05064	6.1
206.05359	0.5
245.06653	2.0
285.09821	5.8
313.01935	0.3
323.11356	20.7
324.11633	2.0
345.11917	5.1
346.12152	0.5
365.12524	0.4
473.14532	14.4
474.14810	2.5
489.17633	2.2
511.14566	2.4
512.14758	0.5
515.15558	0.6
617.40582	0.5
779.24133	2.4
779.45752	6.7
780.25073	0.6
780.45654	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	6.9
61.98832	32.6
71.01382	5.1
71.56092	1.6
73.02953	1.9
75.00854	1.7
82.81905	1.0
83.01436	1.9
85.02965	2.8
89.02448	1.8
93.03460	3.6
95.05003	1.3
96.96003	6.3
97.48723	1.0
99.00874	1.3
100.70205	1.2
101.02443	3.8
108.02162	1.6
113.02447	3.8
115.05503	1.5
116.92877	5.1
117.92850	1.8
118.92686	1.3
119.05008	1.3
121.02972	6.3
122.03755	12.7
123.04527	3.8
132.02182	1.3
133.02966	2.1
134.03764	1.4
135.04568	1.8
136.01634	2.1
137.02502	1.5
140.28726	1.0
144.20229	1.0
145.02972	1.7
146.03737	3.2
147.04549	2.0
149.02448	25.0
150.03232	77.5
151.00357	1.1
151.03790	3.5
152.54958	1.0
153.05524	1.2
160.01663	4.1
161.02408	2.8
161.04543	2.1
161.06026	1.8
162.03223	1.5
163.04048	2.4
164.04814	9.0
165.01895	1.7
165.05571	67.8
166.05869	2.9
168.01810	1.0
175.02635	1.9
175.04008	4.8
177.05534	2.4
179.03496	1.3
179.07127	6.5
180.04289	4.7
181.04921	1.3
187.04036	1.6
190.06396	1.9
195.04828	2.7
195.06622	50.6
196.06956	2.5
211.07637	1.5
213.05821	1.1
222.05281	3.9
237.05513	1.8
238.06299	3.0
240.07892	4.8
241.05006	2.0
243.06703	1.4
252.07828	1.3
253.08498	1.3
254.05850	1.6
255.06734	2.0
255.10275	1.4
256.07413	2.5
265.04965	1.1
266.06018	1.6
267.06653	4.3
268.07504	7.9
269.08014	3.0
271.09753	3.3
278.05719	1.1
279.06598	2.7
280.07297	3.8
281.08075	1.7
283.06158	3.4
283.09741	8.2
284.06900	2.6
285.07922	2.0
293.07959	2.1
294.05618	2.5
294.08832	1.7
295.06326	1.6
296.06830	4.5
297.07718	2.9
298.08414	3.8
299.09186	4.0
308.06946	6.9
309.07748	8.7
310.08157	3.1
311.05551	3.1
311.09256	5.7
312.06482	10.1
312.09845	2.3
313.07275	1.2
313.10776	4.8
321.07596	2.8
322.08432	3.6
323.09207	12.4
324.06375	6.1
324.10016	9.4
325.06973	1.3
325.10599	2.2
326.07928	4.1
326.11411	1.8
327.08749	25.5
327.12323	3.8
328.09171	4.2
338.11563	5.8
339.08682	40.1
339.12396	10.5
340.09161	5.6
341.10251	7.0
342.11053	29.3
343.11792	28.3
344.12161	2.6
354.11157	13.8
355.11697	3.5
356.12613	4.0
357.13425	93.4
358.13794	10.4
369.13416	100.0
370.13644	10.9
373.12857	3.6
391.14160	2.7
409.20724	1.7
423.49753	1.1
431.16730	1.2
465.25253	1.1
505.18192	1.7
535.19684	18.0
536.19745	2.9
581.20526	2.0
583.22009	5.6
584.21655	1.7
630.43121	1.3
671.24707	2.5
683.24994	6.1
701.25787	4.1
731.27081	6.5
732.27338	1.9
736.22607	1.3
779.28625	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	779.4589
Annotation	Depressoside C
Peak:m/z	Relative Intensity
55.01884	2.4
57.03422	2.8
58.00590	1.5
59.01380	37.4
61.98588	1.2
61.98837	12.8
69.03426	1.6
71.01381	49.0
71.54557	2.0
72.99298	3.8
73.02953	11.3
74.02321	1.3
77.23909	1.3
77.75425	1.2
83.01403	8.6
85.02952	25.0
87.00873	3.0
89.02452	14.3
89.36645	1.3
95.01396	5.1
96.82619	1.3
97.02956	1.7
99.00877	4.7
101.02443	37.0
109.18506	1.2
113.01714	1.7
113.02465	20.7
115.05523	8.2
117.07105	1.5
117.70374	1.1
119.03481	4.8
123.04535	1.6
125.02472	2.8
143.03502	3.4
143.04942	1.5
159.02966	2.6
161.04555	10.6
161.06070	3.4
165.20406	1.1
167.03365	1.3
179.05548	2.6
187.03978	10.3
221.06569	1.7
256.37399	1.3
266.78207	1.3
315.93509	1.2
325.65042	1.6
342.55853	1.3
455.34381	1.5
617.30853	2.5
617.40601	34.4
618.40765	6.0
668.09088	1.4
756.71472	1.6
779.45856	100.0
780.46222	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4583
Annotation	Depressoside C
Peak:m/z	Relative Intensity
55.01878	3.4
57.03448	3.4
57.60558	0.4
58.00591	1.0
59.01381	24.3
59.80679	0.3
61.98832	4.2
69.03456	0.5
71.01384	48.2
71.55109	0.4
71.55499	0.6
72.01730	0.6
72.99302	2.0
73.02946	13.5
74.03296	0.5
75.00867	0.8
81.03440	0.4
83.01387	9.2
84.02159	0.4
85.02953	25.7
86.00102	0.4
87.00864	2.9
89.02445	9.3
89.03000	0.5
95.01397	4.3
97.02940	2.3
99.00882	7.0
101.02446	33.8
102.02781	0.7
105.05684	0.4
107.11656	0.4
111.00897	0.7
113.02453	20.0
115.05558	3.8
117.07117	0.9
119.03494	3.4
123.04510	0.7
125.02444	2.5
126.90495	0.5
129.01947	0.7
131.03554	1.0
133.06644	0.4
143.03508	2.8
159.02998	2.8
161.04575	14.7
161.06071	2.1
162.04886	0.4
179.05618	1.2
187.04021	5.8
188.04326	0.5
205.05157	0.5
221.06671	0.5
243.84172	0.4
283.36325	0.3
364.54596	0.4
390.32584	0.3
425.34335	3.5
426.34741	0.7
473.14389	1.3
487.44232	0.4
541.29987	0.4
582.26215	0.4
617.40533	9.6
618.41010	2.4
749.44989	0.9
761.18311	0.4
779.45850	100.0
780.46179	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
58.66808	0.9
59.01378	21.0
59.16084	0.9
61.98833	3.5
68.72623	0.9
69.03471	1.6
71.01395	3.9
72.80224	0.9
89.02448	2.8
98.20632	3.4
101.02467	2.6
113.02417	1.6
119.03463	1.3
150.14148	0.9
161.04587	1.2
167.10733	3.2
179.05547	1.4
179.14397	2.8
190.43024	1.1
195.13913	6.9
205.12341	9.1
223.13387	100.0
224.13715	7.3
227.04155	1.0
235.08212	3.4
253.09242	9.7
277.21722	84.3
278.22061	7.6
331.81567	0.9
441.21402	2.3
459.22269	13.2
460.22714	2.2
697.03229	1.2
719.43530	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	781.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
60.84158	0.6
61.98830	6.8
73.02944	1.3
75.93188	0.6
80.39142	0.5
83.01396	1.0
83.66898	0.5
85.02959	1.9
87.00871	0.9
87.28692	0.5
89.02439	3.3
93.03453	1.3
96.96018	2.0
97.38049	0.5
101.02461	2.2
107.01388	2.5
113.02438	1.2
116.92836	0.8
117.03480	0.7
122.03780	1.2
123.04572	0.8
132.02180	1.4
135.00894	1.1
149.02446	0.6
150.03214	3.4
151.00363	4.3
161.04622	1.3
163.00371	1.5
164.01108	1.0
165.01920	0.7
165.05573	3.6
167.54407	0.6
177.05524	0.6
178.99924	1.4
179.05608	1.1
180.04147	0.9
183.04553	0.8
185.02385	0.7
185.06126	0.7
187.04083	0.8
193.05046	0.7
195.06589	3.1
211.04025	2.4
215.34050	0.6
219.35902	0.5
227.03485	43.1
228.03830	3.7
229.05003	1.7
229.37904	0.6
239.03339	1.0
241.04944	0.6
255.02983	76.9
256.03516	11.3
257.04459	2.0
283.02512	2.3
284.03253	100.0
285.03867	22.5
286.04285	1.3
296.07831	0.7
326.04309	0.7
327.04980	0.7
341.10846	0.6
357.13345	0.9
535.19421	1.6
575.13928	1.8
677.49799	0.9
697.25269	1.4
721.20032	1.1
739.20911	1.0
745.26990	2.4
746.27142	0.8
781.21899	54.6
782.22162	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	781.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	15.5
61.98836	6.3
70.56713	2.1
70.57076	1.8
71.01385	11.6
73.02947	3.1
83.01391	2.1
85.02959	8.4
87.00864	1.7
88.98808	1.3
89.02435	2.8
91.05542	8.3
92.05894	1.2
95.01333	1.4
99.00864	1.2
101.02449	5.4
113.02487	7.1
115.05530	5.3
117.07114	53.0
118.07415	2.8
119.03485	1.4
125.02470	1.3
133.06581	4.5
141.92381	1.0
143.03523	5.5
161.06085	100.0
162.06389	4.8
163.03999	1.6
170.47961	1.0
187.03989	10.9
198.11630	1.0
205.05061	76.8
206.05394	3.5
223.06146	2.3
272.74417	1.2
303.58130	1.1
449.20944	1.0
463.80331	1.2
469.13510	62.9
470.13779	6.2
675.19501	10.5
676.19263	1.3
781.47363	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	781.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03452	1.0
58.96888	0.9
59.01102	1.6
59.01382	32.7
60.99403	0.9
61.98830	28.8
64.73876	1.0
71.01377	24.5
71.02853	1.8
72.99316	1.6
73.02946	9.7
83.01374	5.5
85.02956	12.9
85.61179	0.9
87.00877	2.4
89.02435	7.3
91.05528	9.6
93.56419	0.9
95.01394	2.2
97.02929	2.6
99.00880	1.5
101.02445	16.7
113.02459	15.8
115.05543	15.1
116.05848	2.3
117.07111	53.7
118.07446	2.8
125.02428	3.5
133.06604	9.3
135.04518	1.3
143.03499	14.0
143.04694	1.1
143.05064	1.0
145.03024	1.7
155.03470	1.0
159.03008	1.4
161.04652	3.8
161.06082	100.0
162.06422	6.3
163.03960	4.5
182.00352	1.1
187.04019	31.3
187.12851	1.2
188.04350	2.4
203.05615	2.3
205.05051	82.0
206.05399	2.9
223.06084	2.2
469.13477	40.5
470.13998	5.8
473.14349	2.6
509.01697	1.2
547.34503	1.1
619.42041	1.7
675.19183	14.1
676.19360	2.2
737.22961	1.1
780.46362	3.3
781.47174	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	781.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.3
58.00595	2.9
59.01383	88.4
61.98832	22.1
64.95164	1.3
71.01385	64.1
71.56688	2.0
72.99305	5.8
73.02955	2.2
83.01384	4.4
85.02946	8.6
87.00871	5.9
89.02448	100.0
93.03477	1.9
95.01382	3.4
96.95993	8.4
101.02449	45.7
105.74910	1.5
108.02173	2.3
113.02458	31.9
115.05541	10.3
116.92863	1.9
117.03514	4.0
119.03514	57.8
121.02966	1.8
122.03757	2.8
123.04549	2.8
131.03508	5.8
143.03549	7.4
143.05019	3.1
145.02924	1.9
149.02464	7.8
149.04555	5.2
150.03239	24.6
161.04584	12.7
161.05988	2.3
163.04037	2.2
164.04781	2.2
165.05568	26.6
167.03465	1.7
171.64789	1.4
175.74057	1.3
177.05467	1.8
179.05623	30.8
179.07173	2.9
180.04323	2.5
187.03993	14.9
195.06638	22.3
238.04701	1.4
241.04936	1.9
255.06731	1.6
268.07263	1.8
271.09406	2.4
272.10223	1.5
280.49121	1.4
285.04095	3.3
293.04562	23.9
294.04987	3.1
296.06775	1.8
323.09125	2.3
324.09769	1.9
339.08640	9.3
339.12262	1.8
354.11075	4.5
369.09058	2.7
369.13434	34.3
370.13818	5.3
413.08835	6.2
429.22568	1.7
515.15674	4.0
517.18744	10.9
518.18982	2.1
565.19916	2.0
575.14233	1.7
583.21533	1.8
721.17163	2.0
745.26904	12.1
746.28021	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	781.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
60.31347	0.2
61.98833	1.2
69.68155	0.2
70.92927	0.4
71.01359	0.3
72.99313	8.5
74.02472	0.3
75.00875	3.9
78.09809	0.2
85.02927	0.2
87.00877	0.8
100.99202	0.2
101.02458	0.3
103.00370	2.1
104.00690	0.3
104.03541	0.7
104.04215	0.2
105.01936	100.0
106.02271	1.4
119.03513	0.2
127.01363	0.2
212.30045	0.2
235.15607	0.2
243.01866	0.2
277.21704	0.2
397.13492	0.3
781.46863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.2
61.98834	6.3
71.01370	1.6
71.55692	1.0
71.56089	1.3
74.02456	1.0
74.75141	0.8
75.00871	79.4
80.67602	0.9
87.00839	1.5
88.88162	1.0
89.02415	2.1
93.54599	0.9
99.94913	1.2
101.02419	4.1
102.72762	0.9
103.00372	100.0
103.04000	5.0
104.00685	2.1
104.03555	4.5
111.44872	0.9
113.02509	1.8
113.08643	0.9
142.00067	0.9
146.00224	0.9
159.56375	0.9
165.64629	1.0
177.06490	0.9
279.23251	5.5
397.13483	9.5
412.97754	1.1
415.14493	2.8
456.15616	1.0
781.47302	4.0
791.44666	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.438
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23971	1.2
59.01383	15.2
61.98833	5.8
71.01373	4.8
71.11073	2.8
72.81687	1.2
85.02937	2.3
87.00866	1.3
88.18853	1.1
89.02421	2.1
97.02943	6.6
99.00890	10.1
100.90907	1.2
101.02433	3.6
103.61542	1.1
113.02430	2.2
117.59946	1.2
118.12364	1.2
125.09725	2.0
136.05312	1.8
142.02707	3.1
145.20613	1.3
163.11256	5.5
180.07207	1.3
181.12363	14.2
199.13663	1.5
207.10258	40.9
208.10587	3.4
225.11319	100.0
226.11646	5.3
235.08218	2.1
243.12350	9.7
253.09277	3.7
259.51932	1.3
259.98035	1.2
263.20233	8.3
277.21722	86.3
278.22003	8.9
281.25006	5.9
284.96277	1.5
443.18973	3.8
461.20233	38.0
462.20535	3.8
721.41687	23.4
722.41803	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	781.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.3
61.98830	2.3
70.93758	2.1
70.94077	1.2
71.01391	2.5
73.02991	1.4
79.14880	1.3
87.00879	1.6
90.05783	1.3
97.02929	3.3
99.00866	7.9
101.02456	2.5
109.06542	1.3
125.09687	1.9
135.11357	1.2
142.02731	2.0
146.96548	1.4
163.11288	5.2
181.12347	8.4
207.10228	25.8
224.81953	1.2
225.11311	55.5
226.11565	3.5
243.12379	7.4
253.09271	5.1
267.12585	1.3
277.21704	100.0
278.22055	11.2
430.56033	1.2
443.19128	3.6
461.20309	6.5
462.20303	1.5
572.78693	1.3
599.25824	1.2
721.41602	20.9
722.42102	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	782.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.1
61.98828	100.0
64.02769	0.1
75.00869	0.3
96.05128	0.1
107.20119	0.1
157.37833	0.1
160.02335	0.1
223.13393	0.3
224.13658	0.3
268.60843	0.1
277.21793	0.3
318.31363	0.1
353.81808	0.1
469.99326	0.1
743.63330	0.1
772.78442	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	783.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
57.03470	0.4
58.00576	0.3
59.01380	12.1
61.98829	6.8
66.67959	0.2
67.25659	0.2
68.99574	0.3
71.01387	4.1
72.99306	3.8
73.02947	0.9
75.00872	37.6
76.01200	0.4
83.01377	0.5
83.80553	0.2
85.02946	1.9
87.00883	0.7
88.98799	0.3
89.02442	7.8
89.81178	0.2
93.03451	0.3
93.60288	0.2
93.97205	0.3
96.95992	0.4
97.02926	0.3
98.58677	0.3
99.00880	0.4
101.02445	1.8
103.00398	0.2
103.04030	0.5
107.38802	0.2
109.02967	0.3
113.02449	0.9
115.05547	0.4
116.92855	0.6
117.01945	2.3
119.03519	0.4
123.04579	0.3
125.02417	0.3
135.02998	100.0
136.03351	2.3
137.02428	0.5
143.03552	0.3
150.03270	0.3
151.03914	0.3
153.09201	0.4
159.03017	0.3
161.04576	0.5
162.03224	0.3
165.05498	0.3
175.02437	0.2
179.05621	0.4
180.04262	1.7
187.04019	0.5
195.06639	2.5
203.02028	0.7
205.05017	0.3
213.05518	1.7
214.06003	0.3
226.19037	0.2
228.86945	0.2
241.05048	4.5
242.05344	0.6
255.06676	1.2
256.04715	0.6
256.07391	9.7
257.07584	1.1
271.09756	8.1
272.10098	0.6
347.95331	0.2
352.16919	0.3
353.48248	0.3
357.11948	0.3
385.18588	0.4
388.46872	0.3
396.65408	0.2
475.16162	0.9
579.20776	1.2
580.21136	0.5
621.21851	8.2
622.22150	1.4
783.23547	2.3
784.23444	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01383	4.4
61.98833	4.1
62.85897	0.3
69.33469	1.6
69.33887	1.0
71.01383	1.9
75.00870	1.4
85.02979	0.5
88.89915	0.3
89.02448	1.9
95.87988	0.3
101.02461	1.4
113.02449	1.3
115.05537	5.4
117.03477	0.5
117.07118	1.8
119.03515	0.4
121.02924	0.3
123.04492	0.3
124.01670	0.4
135.02998	2.7
137.02434	2.2
143.05066	0.5
145.02893	0.6
149.02458	0.3
150.03273	0.8
151.04021	5.2
152.04440	0.3
161.02432	1.2
161.04724	0.6
161.06062	3.9
162.03229	22.9
163.04008	3.3
165.05598	1.1
174.55591	0.3
177.05592	4.7
177.85805	0.3
178.06056	0.4
179.03490	4.7
180.04280	62.8
181.04617	3.2
187.04008	6.2
193.05035	0.4
195.06621	100.0
196.06966	5.5
203.05708	0.5
205.05032	0.9
226.06433	0.5
241.08562	0.3
256.07404	0.5
271.09784	0.5
309.07620	0.8
311.05676	0.4
321.04248	0.4
323.09576	0.4
324.09949	0.6
327.11511	0.4
339.12381	0.5
341.10840	1.3
357.11887	11.0
358.12216	1.0
399.12949	13.4
400.13205	1.3
409.09824	2.1
441.21411	0.9
473.14844	1.6
515.15594	3.7
516.15936	0.6
621.21417	0.4
783.27930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07976	0.5
59.01379	4.1
61.98831	5.9
68.54092	0.5
68.99593	0.7
71.01385	3.4
71.67740	0.5
73.02940	0.9
85.02950	1.8
89.02435	1.3
93.03507	0.6
93.82287	0.5
95.68666	0.5
99.00877	0.7
101.02455	2.6
113.02458	1.6
115.05537	76.1
116.05879	3.5
117.03436	2.5
117.07102	11.1
118.06508	0.5
118.07453	1.2
123.04522	2.1
143.05038	7.0
161.04726	0.9
161.06070	22.7
162.06381	1.7
183.39687	0.6
187.04001	100.0
188.04333	6.0
205.05077	4.0
221.09644	0.6
455.13492	1.1
456.98300	0.6
473.14496	16.6
474.14832	2.6
515.15594	27.5
516.15942	5.2
592.39813	0.7
667.09607	0.6
782.46906	1.3
783.48828	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	783.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.6
61.98822	2.2
65.27115	0.5
71.55308	0.7
72.99312	8.0
75.00878	4.1
87.00877	0.5
103.00368	0.9
104.03497	0.6
105.01939	100.0
106.02280	1.4
143.61902	0.4
204.78191	0.4
346.07895	0.5
584.78290	0.5
783.36487	0.6
783.50433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.3
57.03433	3.4
58.00576	1.1
58.54789	0.9
59.01377	28.2
59.18755	0.9
60.01720	1.2
61.98828	6.7
69.05170	1.1
71.01379	59.8
71.55093	0.8
72.01707	0.9
72.99297	2.4
73.02948	15.9
83.01392	11.8
85.02949	28.8
87.00852	5.1
89.02442	10.7
94.67443	1.1
95.01398	7.2
97.02937	2.1
99.00893	7.7
101.02445	39.1
101.57243	0.9
108.12305	0.8
113.02446	24.9
115.05540	12.1
116.05905	1.1
117.07085	2.2
119.03485	3.2
125.02399	4.0
131.03485	1.4
143.03499	1.8
143.05014	1.7
159.02946	2.7
161.04533	13.7
161.06049	5.1
168.00626	1.7
187.04008	15.0
188.04298	1.5
205.05106	1.7
212.10840	1.2
224.16628	1.4
224.61259	0.9
228.27547	0.9
294.77991	0.9
331.06558	4.8
393.30496	0.9
473.14554	1.9
515.15491	4.2
621.43524	7.5
622.44238	1.7
698.62976	1.1
783.49042	100.0
784.37067	1.2
784.49298	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	784.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66800	0.5
58.02702	0.8
58.02975	10.7
59.01366	1.8
60.24776	0.6
61.98833	2.9
69.30275	2.2
69.30704	3.2
70.02965	4.8
71.01375	1.0
72.00906	3.3
85.02944	1.2
88.98792	1.5
89.02420	0.7
91.05537	3.4
96.96005	1.4
96.96985	0.9
101.02440	1.1
105.01980	0.6
123.04555	0.8
136.01651	0.8
147.04520	19.3
148.04881	1.2
150.03204	1.4
151.03961	1.7
152.09358	0.6
164.07162	57.7
165.05539	1.1
165.07480	2.5
175.02518	0.6
191.05534	0.8
206.08220	100.0
207.08517	7.4
223.28625	0.6
275.42740	0.7
283.70764	0.7
499.97174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
61.98830	100.0
62.98534	0.2
66.01955	0.1
66.16992	0.1
71.13138	0.1
89.02439	0.2
96.41412	0.2
96.49624	0.2
101.02472	0.2
138.86067	0.1
185.11823	0.4
192.98868	0.2
199.13445	0.2
209.11813	1.6
210.12218	0.5
211.13354	0.3
225.11531	0.2
227.12984	0.3
253.09283	0.3
277.21725	1.8
278.22156	0.8
548.21637	0.2
638.60919	0.2
649.30237	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	0.4
61.34134	0.3
61.98825	1.4
69.29184	2.4
91.01897	0.7
98.19882	0.4
105.01930	0.4
108.90187	0.6
120.02211	0.9
121.02956	100.0
122.03294	3.3
122.40163	0.3
136.01665	0.8
165.01926	2.2
180.05803	0.3
181.05180	0.5
181.06584	2.4
191.03535	2.2
197.06081	0.3
209.04539	64.3
210.04890	4.0
225.05640	2.2
236.20595	0.2
313.07217	4.6
314.07565	0.6
357.06091	1.6
401.08731	10.0
402.09146	1.0
549.10101	0.5
575.11951	0.3
785.17578	0.9
786.17004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1929
Annotation	Kaempferol 3-(6''-(E)-feruloylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
55.01865	0.4
57.03442	0.6
59.01381	3.4
61.29636	0.3
61.98834	3.7
63.02404	0.7
65.00344	0.9
71.01385	4.3
71.57064	0.4
72.99304	1.9
73.02959	0.4
73.54436	0.3
75.00877	5.4
83.01392	1.3
85.02954	5.5
87.00884	1.4
88.98800	0.4
89.02444	1.1
91.20265	0.3
93.03458	1.2
95.01365	0.7
99.00874	1.3
101.02444	1.7
105.01940	9.3
106.02269	0.8
106.99329	0.3
107.01380	1.5
111.00867	0.4
113.02449	3.6
115.00398	0.5
116.01189	0.3
117.03470	1.0
123.04514	0.5
125.02402	0.6
132.01221	0.3
132.02126	1.5
133.02945	1.1
134.03699	1.0
135.04509	1.2
137.02419	0.4
145.02975	1.2
149.02460	0.4
150.03195	0.6
151.00371	3.7
154.04289	0.3
155.05081	0.3
159.04579	0.6
160.01672	4.0
161.02438	2.2
161.04538	0.4
163.00389	0.3
163.03987	0.5
164.01097	0.4
165.05501	0.3
169.06543	0.5
171.04521	0.4
175.02513	0.7
175.04001	3.4
179.03581	0.8
182.03580	0.3
183.04514	1.1
185.06148	0.8
187.03998	0.6
193.05070	0.7
211.03986	1.1
213.05664	0.5
227.03503	6.5
227.08044	0.3
228.03908	0.4
229.05008	0.8
239.03545	0.5
241.05048	0.7
243.02942	0.5
255.02994	16.2
256.03476	2.1
257.04526	1.0
283.02481	12.3
284.03232	11.4
285.04034	100.0
286.04410	8.5
297.04214	0.4
299.02267	0.3
299.05536	4.5
300.02762	1.5
300.05872	0.5
301.10455	0.3
315.05054	3.6
316.05414	0.6
323.07642	3.5
327.05048	0.9
337.09232	0.7
426.94995	0.3
431.12219	0.4
447.09177	7.7
448.09671	1.1
623.14056	30.6
624.14349	5.6
653.15173	0.5
784.38684	0.9
785.39679	17.6
786.40265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2148
Annotation	Isorhamnetin 3-galactosyl-(1->4)-rhamnosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
59.01371	0.9
60.99308	0.6
61.98816	0.7
62.21364	0.5
63.02386	0.6
65.00333	0.4
65.06972	0.5
69.46947	3.5
71.01385	1.1
73.29116	0.4
83.01404	0.8
88.98811	2.0
89.02434	0.7
92.51475	0.4
95.28476	0.5
98.20625	0.7
101.02451	0.4
107.01406	1.5
113.02459	0.5
124.01659	0.5
125.02424	0.7
149.02423	0.6
151.00356	4.4
163.00294	0.5
164.01228	1.1
165.05530	0.6
187.03912	0.5
191.16934	0.5
195.06743	0.6
199.04044	1.5
214.02806	1.0
215.03462	0.7
216.04247	0.5
227.03490	1.8
241.01402	1.0
242.02151	7.0
243.02927	7.8
244.03685	1.1
245.00986	2.3
253.05136	0.7
255.03023	5.1
256.03610	0.7
257.04520	1.5
270.01685	12.3
271.02466	14.4
271.05460	0.8
272.02979	3.1
283.02628	0.6
285.04041	6.5
285.07117	0.7
286.04657	1.3
287.05719	1.0
298.01166	2.4
299.01962	15.6
300.02728	31.4
301.03119	2.8
313.03531	29.9
314.04269	24.6
315.05084	76.9
316.05368	6.2
327.05106	0.8
357.06061	1.9
370.52060	0.6
476.09705	2.1
477.10400	3.6
555.24646	0.5
623.16138	100.0
624.16498	16.8
624.27051	0.7
665.17206	0.5
785.21802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	20.2
61.98532	1.3
61.98833	23.5
64.57125	1.1
64.65339	1.0
69.66889	3.0
69.67306	3.6
70.64391	1.2
70.94755	1.1
71.01385	21.7
72.99301	3.1
73.02932	7.7
77.33177	1.1
80.05071	2.7
83.01369	3.8
85.02945	6.5
87.00867	2.2
89.02438	9.4
91.65171	1.1
95.01370	2.4
99.00851	1.7
101.02440	7.6
104.05103	1.2
106.06653	7.8
108.04529	1.4
110.43053	1.1
113.02446	7.8
115.05531	2.7
116.92850	1.7
117.92824	1.0
119.03502	2.7
120.04616	1.2
122.06135	5.7
122.24929	1.2
125.02445	1.4
129.65900	1.0
132.04536	4.1
134.06123	38.7
135.06461	1.8
146.03683	2.4
152.07152	5.4
156.40529	1.1
158.02438	2.2
160.04033	4.5
161.04692	1.8
161.06039	2.3
163.03891	1.6
179.07060	2.1
187.04001	4.6
190.05087	4.1
192.06651	3.3
202.77705	1.2
213.10364	9.4
221.06743	1.7
225.10320	2.2
227.11754	1.4
239.11865	3.4
241.13400	1.6
249.10423	1.2
250.07330	1.1
251.11745	1.8
263.08047	2.2
265.09720	2.7
267.11365	8.7
267.29800	1.4
277.06287	1.6
277.09546	2.2
279.11417	2.3
285.12424	6.4
291.07666	1.2
300.11374	1.7
305.09335	3.0
307.71219	1.1
311.10355	1.5
315.10446	1.6
316.14584	5.1
324.11459	2.0
327.13416	7.6
328.10736	2.5
337.11853	3.4
338.12741	1.2
340.10977	1.4
340.14542	12.0
341.15054	1.6
342.12439	1.6
343.13467	1.5
354.12466	1.7
356.13998	6.7
357.14471	1.5
358.15555	4.8
359.15942	1.3
363.04446	1.3
366.12576	2.0
368.10101	1.5
368.14240	1.7
370.15598	2.7
381.11285	1.6
382.15704	2.3
384.13416	8.7
386.15070	1.6
394.12360	1.3
396.13275	3.3
397.14310	1.5
398.15063	11.0
400.16702	2.5
410.15002	3.2
412.16620	4.2
426.14447	3.7
438.14569	4.0
444.15643	2.5
461.30936	2.7
489.19180	2.1
491.20758	1.8
505.22610	1.7
545.21918	2.2
573.21472	2.8
591.22424	4.3
592.22449	2.7
595.49994	1.3
623.24969	1.4
685.28845	3.0
711.27069	3.4
712.27557	3.5
753.27765	100.0
754.28186	23.6
763.80017	1.3
785.30383	63.2
785.45667	4.2
786.30695	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	785.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.7
57.03460	3.9
57.83763	2.2
58.00602	2.8
59.01106	2.5
59.01385	52.0
61.98829	43.4
69.03486	4.5
69.30716	19.5
71.01382	57.3
71.28992	1.9
73.02946	19.2
73.87815	2.1
75.00885	3.6
81.03453	5.2
83.01397	15.6
83.05025	2.4
85.02957	33.0
85.33791	2.1
88.98806	3.6
89.02428	15.9
93.03500	2.7
95.01418	6.1
96.95972	2.8
97.02937	3.0
97.43692	1.9
99.00893	9.6
99.92629	2.4
101.02440	35.1
110.46111	2.1
113.02460	27.3
115.05547	12.9
116.05907	2.4
116.92856	27.7
117.03419	2.3
117.07102	2.7
119.03523	2.5
123.04525	11.4
125.02462	4.0
129.01830	2.5
135.04564	2.9
139.00273	3.0
143.03461	3.4
146.03740	53.9
147.04201	2.2
159.03000	5.0
161.04558	27.4
161.06081	18.4
162.06505	2.6
163.03918	3.9
164.04790	31.8
165.05444	3.4
167.03528	3.2
169.01367	3.3
179.05721	3.4
179.07132	100.0
180.04173	2.3
180.07536	4.7
185.04597	3.1
187.04008	18.5
188.04301	3.1
229.03555	7.9
229.08682	11.8
270.08450	2.4
315.18130	34.7
316.18552	2.3
341.12454	4.5
346.95761	2.3
383.17093	69.4
384.17413	9.8
391.14041	2.3
409.11374	35.2
410.11719	5.9
459.13568	2.5
527.21399	2.4
545.22314	2.6
785.43994	14.9
786.44989	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	785.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
61.98829	63.1
70.70589	1.8
71.01366	2.6
71.55860	2.5
77.19492	1.5
78.95905	2.2
85.44382	1.5
89.02438	3.1
91.93385	1.6
107.95341	1.8
116.92850	4.8
132.28485	1.8
175.10629	1.6
185.11801	34.1
211.13405	44.4
212.13699	3.6
227.12778	2.6
235.08194	3.7
253.09309	4.6
277.21722	100.0
278.21942	11.7
513.30280	2.5
611.73340	1.8
661.13745	1.7
809.26147	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	785.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50472	1.5
59.01385	6.7
60.72482	1.7
61.98831	73.2
70.81047	1.6
71.01373	5.8
71.03349	3.6
71.32463	1.7
73.20092	1.7
76.50231	1.9
89.02438	5.8
101.02432	6.1
113.02453	2.5
116.92825	2.4
119.12187	2.0
127.07629	3.1
157.58781	1.8
161.04485	1.9
161.62398	1.9
183.13940	8.3
183.46790	1.8
185.11823	71.7
185.13470	3.9
186.12143	2.1
211.13396	100.0
212.13704	9.2
235.08243	3.7
253.09250	7.6
277.21713	99.9
278.22116	11.4
421.20474	2.8
447.22235	9.7
448.22583	1.9
507.22302	2.0
667.74890	2.0
802.22528	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	786.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.46186	0.1
61.98831	100.0
62.98517	0.1
67.65219	0.1
69.21665	1.0
69.22066	0.4
71.01367	0.2
87.65933	0.1
89.02473	0.2
91.05541	0.2
115.05547	0.3
116.05829	0.2
116.92915	0.2
117.07107	2.2
118.07510	0.1
158.92130	0.1
161.06076	3.4
162.06573	0.2
187.04074	0.5
205.05034	3.3
207.80530	0.2
259.68634	0.1
283.54520	0.1
309.21143	0.1
363.89288	0.2
467.10379	0.2
511.14536	2.8
512.15045	0.3
751.31561	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19277	0.3
59.01366	0.4
61.98830	100.0
71.56093	0.4
78.95901	0.4
82.03337	0.4
89.02477	0.4
145.75830	0.3
168.98286	0.3
179.60338	0.3
190.93962	0.3
201.54402	0.4
209.11850	0.4
277.21875	0.9
278.22000	0.5
279.23254	0.6
358.53049	0.4
506.46545	0.4
599.07452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
61.58717	0.4
61.98835	4.7
63.98447	0.4
69.03471	0.4
69.89058	1.8
71.01384	4.1
72.99303	0.7
73.02945	1.3
75.94354	0.4
81.03491	0.5
83.01388	1.2
85.02948	1.7
87.00851	0.4
89.02422	0.8
93.03463	0.7
95.01387	0.5
95.05016	1.5
96.63368	0.4
97.02934	0.5
98.19893	0.7
99.00874	0.8
101.02432	2.2
103.00345	0.5
105.03489	0.6
111.00888	0.5
112.98824	0.7
113.02448	2.1
115.05523	0.8
116.92858	1.5
121.03019	0.4
123.04530	43.3
124.04858	1.5
125.02480	0.7
127.00384	0.5
139.00401	0.6
141.02057	0.4
143.03513	0.7
149.02455	0.8
150.11336	0.4
161.04561	1.7
169.01311	0.7
173.00937	0.8
175.02504	0.7
187.04025	0.5
193.01537	0.4
195.06700	0.5
208.03735	1.0
213.05557	12.2
214.06007	0.6
214.72774	0.5
216.17467	0.4
222.02650	0.4
223.06093	1.2
229.03543	3.6
241.05075	44.6
242.05362	3.6
244.92987	0.4
255.06494	2.2
256.07416	92.1
257.07761	8.6
271.09760	100.0
272.10117	8.5
285.09692	2.0
309.33630	0.4
313.11078	0.4
353.08783	7.7
354.09055	0.5
395.10266	0.5
415.14215	0.9
433.15036	58.8
434.15329	6.8
441.21191	1.0
501.14084	6.7
502.14536	1.1
515.13959	0.7
653.53571	0.5
711.78455	0.4
787.44092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	1.1
59.01104	1.5
59.01381	27.4
61.98828	12.8
68.99783	1.3
71.01389	25.8
73.02964	7.3
73.72746	1.0
75.00814	1.8
76.97456	1.3
80.05046	2.4
83.01383	4.8
85.02950	10.4
87.00867	4.1
89.02448	10.7
92.05070	1.2
94.06594	2.8
95.01366	1.5
98.19879	3.7
99.00862	3.1
101.02442	11.6
106.06637	10.2
107.03783	3.8
113.02468	9.8
119.03464	2.3
120.08193	7.4
121.05270	1.3
122.06128	38.9
123.06419	2.0
132.04543	3.6
134.06126	66.5
135.06433	2.9
136.07681	2.0
144.04523	1.4
148.07639	2.7
150.05644	1.5
152.07173	12.8
158.02501	3.0
160.04021	3.7
161.04605	1.5
164.07100	1.7
176.07091	1.7
182.65480	1.2
190.05106	13.7
192.06677	2.3
197.10796	2.3
200.64670	1.0
206.95039	1.2
211.08875	1.4
221.10805	9.8
222.10980	1.4
223.08742	4.0
224.09464	2.6
225.10330	6.3
227.11908	2.0
229.24744	1.4
234.07808	1.5
235.08746	2.6
236.09291	1.3
237.06711	1.7
237.10347	3.4
238.11087	1.8
239.11975	6.3
247.08679	1.8
248.09451	2.2
248.44812	1.3
249.06532	1.9
249.10298	7.6
250.07384	1.3
251.08174	4.0
251.11795	8.0
257.08179	1.5
261.10367	2.9
262.07394	2.2
262.10928	1.4
263.08255	8.7
263.11844	4.0
264.08957	9.7
265.09808	11.6
266.10190	1.8
267.11288	2.2
269.12897	3.8
275.08063	1.3
276.08954	3.6
277.09796	13.2
278.10632	6.2
279.08334	1.8
279.11356	16.6
280.11584	2.3
281.12869	2.3
289.09900	2.3
290.10526	2.0
291.07874	2.3
291.11386	8.3
292.11920	2.1
293.09229	1.3
295.10953	1.8
296.11206	1.8
305.09375	18.7
306.09552	3.2
307.10767	2.3
309.08612	1.9
309.12112	1.5
317.09396	2.7
318.10147	1.5
323.10355	2.6
325.12051	1.8
327.13617	2.0
337.11862	9.4
338.12378	2.0
342.15930	8.4
356.13913	2.4
357.14725	1.7
358.15405	2.9
360.17273	2.3
370.15430	3.5
371.16171	1.7
372.17130	4.9
384.17075	3.3
386.14648	3.1
386.19125	2.5
398.14914	2.1
400.16046	1.5
412.16605	3.9
424.16803	2.1
426.18073	4.0
428.15814	3.0
430.17822	3.0
440.16077	1.9
452.15903	2.5
453.16800	2.1
470.16919	2.8
471.18344	1.8
472.18665	6.6
473.18887	1.7
575.88196	1.5
592.23163	3.1
593.24078	6.3
632.22333	12.4
633.23163	6.7
664.25116	100.0
665.25500	26.8
687.30426	2.1
713.28125	10.4
714.28302	3.6
727.29370	1.7
755.29272	54.5
756.29523	13.8
787.31885	71.7
788.32172	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	787.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
59.01383	23.7
61.98831	25.1
69.26137	15.3
69.58904	1.3
70.43959	1.3
71.01054	1.9
71.01387	22.9
72.99289	2.6
73.02937	5.0
78.51768	1.7
83.01386	3.5
85.02958	8.7
87.00859	6.2
89.02452	8.9
90.53049	1.7
95.01369	2.8
98.19832	3.2
99.00851	3.0
101.02438	12.1
105.51127	1.3
106.06625	8.4
107.03744	2.2
113.02449	10.0
116.92865	2.6
119.03474	3.2
120.08163	2.7
121.05378	1.6
122.05321	2.2
122.06120	28.3
125.02431	2.3
126.36724	1.4
134.06125	62.1
136.07680	1.6
137.02463	1.8
146.06049	2.0
148.07658	1.5
150.05606	2.7
152.07162	8.5
158.02460	3.7
160.03992	3.4
174.01555	2.4
184.90337	1.5
190.05086	9.0
211.08698	2.1
219.48868	1.4
221.10851	8.3
223.08778	3.3
224.09431	2.2
225.10303	3.8
235.08659	2.0
237.10294	2.8
238.10945	2.8
239.11942	7.2
249.06645	2.0
249.10312	6.7
251.08275	4.8
251.11871	6.4
257.08212	2.0
261.10315	3.7
262.07498	1.6
263.08069	7.3
263.11874	3.0
264.09155	7.9
265.09805	9.0
266.10052	1.5
269.12967	3.6
275.08029	1.7
276.09167	1.5
277.09802	11.5
278.10495	5.6
279.11334	12.0
280.11984	2.4
289.10001	1.9
290.10492	2.1
291.11401	9.7
292.12103	2.2
294.55853	1.5
295.10757	1.8
296.11472	2.5
304.08609	2.0
305.09357	13.1
307.10681	2.5
309.08731	1.6
317.09238	2.7
323.10394	2.5
325.11835	2.1
337.11884	5.2
338.12402	2.4
342.16031	5.3
356.14139	1.7
370.15472	2.1
372.17056	4.3
374.33627	1.5
382.11826	1.9
384.17273	3.8
386.14670	3.0
386.18954	2.1
398.14728	2.4
400.16635	2.9
410.15381	1.8
412.16367	3.2
424.16364	2.1
426.18140	4.1
428.15930	2.4
430.17447	3.6
440.15997	1.9
442.17587	1.6
471.18280	2.4
472.18744	6.9
473.18839	3.0
484.18616	1.6
575.22485	2.6
592.23029	3.6
593.23517	5.0
594.24463	2.6
626.29340	1.6
632.22650	11.6
633.23438	10.9
645.15015	1.6
664.25079	52.9
665.25452	11.9
667.27185	1.9
687.30066	2.5
711.30176	2.6
713.28070	10.1
714.29272	3.4
727.30200	1.9
755.29303	100.0
756.29541	28.5
787.31903	47.0
787.44507	3.6
788.32239	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	787.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.0
58.00595	0.9
59.01379	21.4
61.98832	100.0
62.26625	1.0
70.20818	0.9
70.38988	1.0
71.01384	29.2
71.54681	0.9
72.99308	2.4
73.02939	4.6
75.00874	1.4
79.49493	0.9
83.01387	3.1
85.02948	10.3
87.00887	2.1
87.04528	1.3
88.98811	1.6
89.02451	12.0
95.01366	1.9
96.00890	1.2
99.00867	2.4
101.02451	11.0
106.06601	3.8
113.02437	8.0
115.05556	1.2
116.92893	2.3
119.03498	3.0
120.08167	1.7
121.03000	1.0
122.06106	7.7
123.04511	2.9
125.02435	1.8
130.08737	1.1
134.06123	33.7
134.61331	0.9
136.01721	0.9
136.07697	1.2
137.02327	0.9
139.97182	1.0
143.03473	1.2
145.03014	1.0
149.02391	1.2
150.03169	1.7
150.05577	3.5
152.07179	6.3
160.01859	1.0
161.04536	3.5
161.05867	1.3
163.03976	1.2
175.02449	1.9
175.49077	1.0
178.45320	0.9
179.05614	1.0
187.03979	3.4
188.39642	1.1
190.05072	1.2
193.05139	1.1
195.06546	1.1
197.95255	1.0
211.08780	5.4
223.08727	2.2
225.10245	2.6
236.05890	2.1
236.09393	1.4
237.06757	7.2
237.10269	3.1
239.11818	1.7
241.05408	0.9
249.06589	2.0
249.10266	1.4
250.07454	3.4
251.08203	5.8
251.11832	1.6
252.08940	1.7
256.07339	3.4
257.08173	3.6
262.07285	1.3
263.08273	2.4
264.08905	3.0
265.09747	6.8
271.09775	4.2
277.09836	4.3
279.11337	4.5
281.12833	1.6
283.10748	2.1
291.11255	2.1
296.11163	1.3
297.12158	1.2
305.09207	2.8
307.10880	1.4
323.10321	1.7
337.12045	1.6
341.04272	0.9
341.11005	1.1
356.13925	1.3
358.15448	3.3
368.14667	1.3
370.15677	1.4
372.17203	1.4
382.11639	1.2
384.13464	4.1
396.13544	2.9
398.15112	2.7
399.16159	1.5
409.09695	1.9
411.15598	1.6
412.16577	2.6
426.18317	1.6
430.17731	2.1
433.15057	1.3
444.18964	1.4
501.30377	1.8
502.19308	1.1
519.31671	1.9
524.46851	1.0
580.21417	1.5
592.22974	1.2
627.69904	1.2
632.21857	2.1
633.23590	2.0
664.25140	13.6
665.25812	40.5
666.26184	10.4
755.29370	10.4
756.30322	2.0
787.31903	61.9
788.31842	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	787.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
57.03461	0.5
59.01381	100.0
60.01712	0.9
61.98827	3.8
64.57755	0.4
69.22614	3.7
69.77444	0.4
71.01380	12.0
72.99337	0.4
73.02957	5.1
75.00865	0.8
83.01419	1.6
85.02959	5.6
87.57832	0.3
88.98817	0.4
89.02451	2.7
90.89257	0.3
95.01405	0.7
96.95964	0.4
98.19841	0.6
99.00895	1.4
101.02449	9.1
105.94212	0.3
108.41562	0.4
113.02451	5.4
118.91035	0.4
119.03515	1.0
125.02444	1.1
134.03746	0.4
141.82588	0.4
143.03510	0.5
150.03368	0.4
151.00452	0.4
159.02998	1.3
161.02477	0.4
161.04570	5.7
165.05565	0.8
175.03999	0.4
178.14748	0.4
179.05682	0.7
255.03065	0.5
257.13922	0.4
284.02966	0.6
285.03976	2.1
286.04453	1.3
287.04675	0.9
331.17599	11.5
332.18146	1.3
373.18677	9.1
373.23007	0.5
374.18896	0.8
625.15448	0.8
727.18951	0.5
787.41003	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45461	0.2
59.01380	2.6
61.98830	100.0
67.68427	0.2
69.89328	0.7
69.89729	0.4
71.01388	2.3
72.99341	0.3
73.02942	0.5
73.04075	0.2
74.53848	0.2
75.00892	0.2
83.01408	0.4
85.02953	1.1
87.00883	0.8
88.98835	0.3
89.02469	0.8
92.55039	0.2
94.18079	0.2
96.00913	0.9
98.02496	0.6
98.20553	0.3
99.00900	0.2
101.02435	1.3
108.02209	0.2
110.02539	0.4
113.02432	1.0
113.03596	0.2
115.00412	0.8
116.92873	0.5
117.03468	0.3
122.06158	0.4
123.04558	0.4
125.02484	0.4
127.00500	0.2
129.10313	0.3
130.08736	1.2
134.06102	0.9
137.02463	0.5
141.10373	0.3
145.02951	0.6
150.03308	0.3
152.01062	0.2
152.07108	0.3
161.04593	0.6
161.06090	0.4
163.03998	0.3
167.03487	0.3
168.11349	0.3
169.09836	0.2
175.02490	1.2
175.03784	0.2
187.04066	0.6
187.10847	0.4
195.06686	0.2
210.12512	0.4
213.05580	0.6
223.08327	0.8
229.03590	0.6
241.05084	3.8
241.07481	0.4
242.05464	0.3
251.08002	0.2
256.07401	8.9
257.07895	1.5
265.09473	0.9
271.09744	12.4
272.10068	1.4
291.07230	1.9
324.12109	0.9
333.96530	0.2
341.20825	0.2
368.14926	0.3
375.20364	0.4
393.08380	0.2
433.15030	11.7
434.15448	1.5
435.55722	0.2
453.12793	0.6
501.14078	3.1
502.14294	0.5
526.83386	0.2
665.25787	0.9
666.26257	0.8
725.22723	1.6
726.23608	0.3
744.34595	0.4
788.34021	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	788.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.1
59.01373	1.0
61.98830	100.0
62.98536	0.2
69.68068	0.1
70.41651	0.1
71.01384	0.7
73.02964	0.2
75.68666	0.1
81.07123	0.1
83.01392	0.2
83.05061	0.3
85.02979	0.4
87.00887	0.1
89.02452	0.4
97.06539	0.1
99.00884	0.2
101.02452	0.5
113.02451	0.4
115.00404	0.1
115.05553	0.8
116.92867	0.4
117.07137	0.3
121.02975	0.1
123.04493	0.3
125.02431	0.2
152.07240	0.1
161.04692	0.2
161.06090	0.6
163.04002	0.2
164.04874	0.1
165.05608	0.2
165.09253	0.2
175.02457	0.2
175.03941	0.1
179.07059	0.2
182.06599	0.1
187.04025	0.9
196.28326	0.1
221.76343	0.1
227.07204	0.2
229.21724	0.1
248.31281	0.1
254.13763	0.1
256.07272	0.2
257.07718	0.1
271.09708	0.3
352.70413	0.1
409.11337	0.2
522.74152	0.1
625.40063	0.2
627.41437	0.2
741.81689	0.1
787.50458	0.2
788.50732	0.3
789.48517	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79078	0.1
61.98830	100.0
62.98534	0.2
63.53960	0.1
63.54293	0.1
63.93490	0.1
70.52853	0.4
105.44947	0.1
114.23550	0.1
117.52634	0.1
119.96150	0.1
181.24190	0.1
212.33748	0.2
234.16559	0.1
244.65317	0.1
380.61597	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98547	0.2
68.55591	0.1
69.20602	1.4
73.07724	0.2
89.73069	0.2
98.19860	0.4
120.25464	0.1
149.13863	0.1
152.54259	0.2
230.13783	0.2
255.34486	0.1
329.08090	0.2
410.86719	0.2
550.56378	0.1
597.03821	0.2
708.35645	0.2
720.50317	0.2
774.87030	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.3
59.01380	6.1
61.98829	35.4
69.35183	3.8
69.35609	3.1
71.01382	7.5
73.02937	1.0
81.03439	1.4
82.37383	0.9
83.01374	1.3
85.02950	2.1
88.98804	1.1
89.02426	4.9
93.03423	1.1
95.01405	1.2
96.95995	1.2
97.52097	0.8
99.00871	1.0
101.02437	4.9
108.02180	0.8
109.02945	2.8
110.66407	0.9
111.00835	1.4
113.02422	3.0
116.92818	1.1
119.03493	1.2
121.02923	1.6
123.00859	3.4
123.04517	2.5
124.01640	1.6
125.02415	2.4
135.00885	0.9
137.02435	11.8
138.03183	1.9
139.00380	1.0
139.04028	2.5
143.03468	1.3
147.04402	1.3
149.02443	3.0
150.03180	1.9
151.00357	20.4
151.03984	2.8
152.01065	3.5
152.04752	2.5
153.01944	1.9
153.05557	2.4
156.31520	0.8
159.04514	1.3
161.02477	0.9
161.04570	1.6
162.03209	0.9
163.03989	2.7
165.05498	3.1
166.02707	74.9
167.03401	5.1
175.02489	0.8
175.03979	2.6
176.01009	0.9
177.01929	3.9
177.05659	2.1
178.02457	1.0
178.48752	0.8
179.03467	1.8
179.05641	1.6
180.04250	1.1
181.05058	98.9
182.05342	4.2
187.03990	1.9
188.04672	0.9
190.02666	1.4
190.06320	2.2
191.03447	3.5
192.04196	1.0
193.04979	1.6
195.06596	3.2
203.03630	0.8
205.05086	5.5
206.05675	2.5
207.06654	1.2
219.06500	1.1
220.07391	1.7
221.04738	1.0
221.08130	4.8
233.08194	1.1
241.04984	1.9
256.07358	3.6
258.08829	1.2
259.09564	1.4
267.40891	1.0
271.09668	2.6
312.06296	1.3
316.09244	0.9
336.86319	0.8
339.08719	1.2
341.10730	0.9
351.05338	5.5
359.11319	3.4
372.12088	4.4
373.12610	2.3
387.10547	10.3
387.14456	25.9
388.10672	1.9
388.14856	2.6
399.14484	2.1
401.16141	1.0
402.13123	12.2
403.13580	1.6
417.15509	100.0
418.15817	14.2
431.17099	1.5
526.85693	0.9
572.33289	0.9
597.23486	10.0
598.23907	1.8
609.23187	1.5
610.23920	0.9
627.24445	50.9
628.24872	10.7
789.29852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.06448	0.1
62.98528	0.2
70.77580	0.4
70.87621	0.1
146.17990	0.1
153.14697	0.1
191.58105	0.1
290.02820	0.1
315.40802	0.1
724.40009	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	790.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98832	100.0
69.19469	0.1
71.01390	0.4
71.33158	0.1
71.56736	0.2
83.05020	0.2
85.02972	0.1
87.05833	0.1
88.73387	0.1
88.98877	0.2
89.02455	0.3
97.03048	0.1
101.02444	0.3
103.39381	0.1
109.02977	0.1
113.02462	0.2
123.00872	0.4
124.01692	1.1
139.04021	1.5
149.02425	0.2
163.18658	0.1
165.05524	0.3
173.93471	0.1
183.07057	0.1
195.06642	0.5
198.12816	0.1
285.07748	0.4
300.10208	0.2
327.12317	0.1
328.12540	0.2
331.11929	0.2
343.10291	0.2
618.44012	0.2
753.80853	0.1
823.72076	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	791.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.8
57.03443	7.4
58.00587	3.2
59.01380	59.7
60.67700	1.4
61.98830	94.1
63.82012	1.2
71.01383	76.2
72.99306	5.2
73.02952	16.1
75.69984	1.3
78.97744	1.4
83.01385	9.8
85.02956	34.7
87.00867	5.9
88.98801	2.3
89.02444	29.6
94.61304	1.2
95.01400	9.1
98.78416	1.2
99.00883	8.1
101.02444	40.9
111.00872	4.6
113.02454	27.7
115.05540	5.1
116.05829	1.5
116.92912	1.2
117.07049	2.2
119.03507	9.1
121.02953	1.6
123.04517	5.7
123.08228	1.5
125.02438	4.3
129.01884	3.4
131.03468	3.6
143.03471	3.1
159.02972	3.2
161.04547	12.0
161.06046	4.6
163.04021	1.5
165.05440	2.3
175.02425	2.6
179.05585	4.4
187.03952	3.9
195.06596	1.6
221.06604	5.5
229.08658	3.6
241.05188	1.9
256.07297	5.3
271.09723	5.5
272.10257	1.4
331.17401	1.5
391.13904	2.1
399.16528	8.9
433.14987	4.7
459.13019	1.5
467.30072	4.5
629.35406	54.8
630.35675	11.5
791.40698	100.0
792.41040	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	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12038	0.1
59.01365	0.2
61.98834	0.6
69.62455	0.5
71.01367	0.1
73.02945	2.2
75.00876	0.2
80.61429	0.1
87.00916	0.1
87.88547	0.1
97.03026	0.1
98.20566	0.2
99.00891	0.7
99.92583	11.5
100.92598	0.7
114.93436	0.5
115.00399	0.1
116.92862	100.0
116.97228	1.6
117.01936	4.3
117.05552	0.1
117.92872	5.9
118.02264	0.1
118.05113	0.1
182.17766	0.1
200.68692	0.1
214.88387	0.1
220.85486	0.1
223.82951	0.1
493.99084	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87626	0.1
59.01371	0.3
59.15731	0.1
61.98831	0.8
70.44404	0.1
70.74922	0.3
70.75246	0.2
73.02946	2.0
99.00893	0.5
99.92583	11.9
100.92593	0.7
114.93428	0.4
116.92862	100.0
116.97221	2.1
117.01940	3.0
117.92869	6.1
139.85451	0.1
180.31917	0.2
335.17273	0.2
397.13571	0.2
554.46429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.35
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.3
57.03439	6.7
58.00590	4.1
59.01378	94.3
61.98833	43.5
68.08760	2.4
69.03443	2.5
69.73076	11.4
71.01381	90.6
72.81905	2.3
72.99286	3.7
73.02942	27.5
83.01395	16.2
84.03584	2.3
85.02953	47.9
86.00082	3.4
87.00871	12.2
88.98832	3.1
89.02444	38.8
95.01392	8.8
97.02967	3.5
98.19930	2.6
99.00909	11.1
101.02443	49.0
108.02158	4.8
109.02959	3.2
111.00903	6.2
112.01674	3.3
113.02447	41.2
119.03499	12.2
119.05032	3.5
123.04470	2.4
124.01684	7.2
125.02435	7.9
127.04018	2.6
129.01988	2.8
129.03232	2.6
131.03534	3.6
138.03252	3.8
140.56140	2.1
143.03534	5.8
151.04007	3.4
152.01074	3.3
153.05540	3.2
156.12973	2.3
159.02972	5.8
161.04520	12.4
162.03201	3.7
163.04024	2.7
163.06036	3.7
165.05505	2.8
177.01959	2.7
179.03656	2.4
179.05521	2.7
180.04269	6.4
195.06625	5.8
205.07210	3.4
217.04985	2.8
306.62750	3.0
315.07227	5.8
339.06976	4.7
357.11551	2.6
399.23840	10.0
507.25943	8.9
527.28021	2.5
543.27979	17.0
544.28278	2.8
561.29279	21.1
562.30017	3.0
570.88086	2.5
689.33905	100.0
690.34033	20.0
707.34930	87.7
708.35315	20.6
749.35883	12.4
750.35992	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	793.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
57.03447	3.7
58.00583	3.4
59.01380	71.2
61.98830	100.0
63.21386	1.2
67.79938	1.5
69.03456	2.7
69.66753	9.2
71.01381	60.1
71.05061	1.4
72.01707	1.6
72.99320	6.0
73.02938	15.7
75.00868	2.6
83.01391	7.6
85.02946	30.4
86.00081	2.6
87.00887	14.6
87.04506	2.3
88.98817	4.6
89.02450	25.7
95.01410	5.7
97.02946	2.8
98.19846	1.3
99.00881	5.2
101.02439	39.3
103.03999	4.8
109.02926	2.3
111.00889	3.6
111.04620	1.7
112.01659	3.4
113.02451	25.4
116.92818	1.8
119.03489	10.9
119.04934	1.5
123.04536	4.3
124.01674	4.0
125.02469	6.9
127.04004	1.8
129.01945	2.4
131.03479	5.7
134.03720	1.9
135.04494	2.3
137.02475	2.3
138.03218	2.4
143.03500	10.4
150.03178	2.8
151.04080	1.4
153.05563	5.6
161.02390	1.8
161.04604	8.2
162.03221	2.7
163.03996	4.5
163.06119	6.9
165.05542	4.9
175.02425	1.9
175.03972	2.0
177.05505	2.7
179.05594	2.0
180.04257	4.9
187.04012	2.1
195.06630	9.1
205.07089	8.9
247.08183	4.0
259.06052	1.6
339.07285	2.0
357.12030	4.9
399.23697	3.3
483.96539	1.5
507.25833	5.1
527.28186	3.4
543.28223	11.9
545.29846	3.8
561.29242	16.2
689.33905	66.0
690.34003	14.1
707.34869	65.4
708.35162	13.8
749.35559	10.3
750.35504	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	793.4371
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03444	3.4
58.00591	2.3
59.01381	39.1
61.98833	16.4
69.03445	1.5
70.29297	2.0
70.29690	2.3
71.01385	56.3
72.01720	1.2
72.99304	3.2
73.02959	15.2
83.01379	13.6
85.02956	27.5
87.00878	4.6
89.02449	17.2
95.01379	4.0
97.02951	1.9
98.00784	1.1
99.00897	4.8
101.01785	2.1
101.02445	41.8
111.00835	1.4
113.01701	1.8
113.02451	23.3
114.02745	1.2
119.03488	7.4
125.02467	2.2
131.03452	2.0
143.03493	2.7
159.02974	3.3
161.04575	9.8
161.05783	2.0
165.55478	1.1
170.71840	1.2
179.05608	2.9
187.03893	1.3
221.06679	2.8
225.10416	1.0
305.87814	1.1
315.73685	1.2
341.10165	1.2
383.69717	1.2
469.33539	1.7
484.23938	1.3
631.38525	37.6
632.38947	9.3
793.43793	100.0
794.44141	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	794.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41436	0.2
59.01371	0.5
59.39667	0.2
61.98832	100.0
62.99270	0.2
70.48619	0.2
71.01398	0.4
85.02967	0.2
88.42484	0.2
98.20731	0.4
101.02451	0.2
162.69223	0.2
165.05620	0.2
187.04208	0.2
272.19342	0.2
325.23041	0.2
570.71552	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
61.98830	100.0
69.93107	0.9
69.93506	0.5
71.01385	2.4
73.02967	0.5
77.19808	0.4
83.01386	0.3
85.02975	0.8
89.02483	0.7
98.20659	0.3
101.02453	1.5
105.56576	0.3
113.02469	1.0
115.05504	0.8
119.03484	0.3
139.95827	0.3
143.03545	0.4
151.71384	0.3
161.06166	0.6
161.16403	0.3
163.75981	0.3
181.23615	0.3
187.04037	0.7
552.58936	0.3
631.39093	0.4
793.44360	0.8
794.44843	0.9
795.45636	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	1.0
59.01377	27.2
61.98830	8.5
69.03438	1.0
70.90781	0.7
71.01383	12.6
71.56172	0.8
72.99294	0.9
73.02941	3.2
76.97790	0.8
83.01380	2.2
85.02954	6.4
87.00890	1.7
89.02437	7.8
90.76854	0.7
91.05538	16.4
95.01379	2.7
101.02448	12.7
113.02448	17.9
115.05534	19.0
117.03446	1.3
117.07104	57.5
118.07440	2.3
119.03519	5.7
131.03491	1.6
133.06595	5.8
135.04539	1.8
135.45740	0.8
143.03479	3.6
143.04982	1.8
149.04584	5.8
149.05626	0.9
153.51517	0.8
161.04584	12.5
161.06061	100.0
162.03215	0.8
162.06418	5.0
163.04013	10.5
175.07664	0.9
177.05507	1.8
179.05621	2.9
187.04005	64.5
188.04335	4.1
195.06567	0.8
205.05051	62.9
206.05351	4.4
221.06682	6.4
223.06100	4.9
229.05070	1.0
271.50598	0.8
284.32513	0.7
295.07837	0.8
324.51114	0.9
325.09198	1.2
385.11325	1.3
394.98602	0.8
401.33255	0.9
427.12421	38.8
428.12747	4.8
573.15936	1.3
633.18121	14.8
634.18604	3.3
795.23523	7.4
796.24066	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30838	0.1
58.72390	0.1
59.01367	0.2
61.98821	0.3
69.29066	0.6
69.29489	0.3
69.62708	0.1
71.01385	0.1
73.02949	1.7
75.00893	0.2
89.02441	0.1
90.24361	0.1
97.69350	0.1
99.00863	0.5
99.92587	12.2
100.92590	0.7
104.35117	0.1
114.93392	0.5
116.92863	100.0
116.97243	2.3
117.01940	2.9
117.92875	5.8
126.35437	0.1
179.09996	0.1
231.58255	0.1
245.79228	0.1
337.19189	0.3
562.33972	0.1
638.34589	0.1
755.41187	0.1
795.42432	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90242	0.1
56.76134	0.1
59.01399	0.1
61.98835	0.5
69.31130	0.8
71.01395	0.2
73.02944	1.2
75.00861	0.1
75.48302	0.1
78.50357	0.1
83.01413	0.1
87.00890	0.1
88.19233	0.1
89.02448	0.1
99.00874	0.3
99.92585	9.8
100.92609	0.5
100.93233	0.1
107.90282	0.1
108.02186	0.1
114.93417	0.4
115.00401	0.1
116.64142	0.1
116.92862	100.0
117.01938	2.7
117.92872	5.5
123.04470	0.1
128.17097	0.1
150.03206	0.2
152.03720	0.1
163.04047	0.1
165.05569	0.2
174.01662	0.1
195.06514	0.1
400.73730	0.1
679.72504	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	795.4534
Annotation	Clethroidoside H
Peak:m/z	Relative Intensity
57.03449	3.1
57.38230	0.5
58.00591	1.6
59.01380	35.0
61.98831	26.0
69.03448	1.1
69.57451	1.4
69.57877	2.5
71.01383	49.5
72.01749	1.4
72.99314	2.9
73.02949	12.5
75.00843	0.8
83.01389	8.7
85.02954	24.4
87.00881	4.2
88.98817	0.6
89.02447	16.1
91.53305	0.7
95.01397	5.3
97.02950	2.9
99.00906	5.4
101.02446	36.0
102.02765	0.7
108.02193	0.6
113.02451	23.0
114.02792	0.9
115.05568	1.2
119.03503	6.7
123.04570	0.7
125.02448	3.8
129.01924	1.2
129.96463	0.6
131.03494	1.5
143.03517	3.5
152.01146	0.9
159.02975	2.7
161.04573	8.7
161.05936	1.1
170.07010	0.6
179.05612	2.4
187.04007	2.0
221.06700	1.5
256.07645	0.7
259.99969	0.7
315.07053	0.9
409.31024	0.7
421.30972	0.7
439.32159	2.1
440.32065	0.7
441.33762	4.7
469.32620	0.8
471.35037	1.7
515.34155	1.1
629.54175	0.7
633.40076	31.8
634.40332	6.8
649.39655	0.8
701.84540	0.9
761.94781	0.7
795.45361	100.0
796.45581	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	797.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56492	0.2
59.01370	0.9
61.98530	0.2
61.98829	2.5
71.01365	0.2
71.56126	0.2
73.02952	1.9
75.00848	0.3
82.74977	0.2
85.52314	0.1
99.00879	0.5
99.92587	12.5
100.92598	0.6
101.96384	0.2
114.93415	0.5
116.92862	100.0
116.97243	2.6
117.01942	3.0
117.92875	5.4
129.02034	0.2
141.01834	0.2
143.99117	0.4
228.71652	0.2
245.45746	0.2
247.13199	0.2
277.21661	0.2
397.13351	0.3
505.58588	0.2
640.08685	0.2
765.10437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.8
58.00582	3.1
59.01378	52.2
60.01705	0.9
61.98532	1.0
61.98833	13.5
69.03459	1.8
71.01383	56.3
71.05003	1.1
72.99300	4.2
73.02950	17.4
75.00861	1.0
83.01393	9.6
85.02443	1.8
85.02950	31.2
86.00094	1.5
87.00880	4.0
89.01923	1.6
89.02448	21.1
91.05539	0.8
95.01373	3.8
97.02962	3.1
99.00884	6.3
101.02445	40.1
102.02823	1.1
103.04006	1.7
111.00896	4.0
113.02449	24.2
115.05537	9.4
117.07114	2.4
119.03490	6.3
123.04509	3.0
124.01606	0.8
125.02431	3.3
129.01912	1.7
131.03520	2.3
133.06567	4.6
137.02461	1.5
143.03532	4.6
143.04761	0.8
145.05157	0.9
159.02974	2.4
161.04524	6.1
161.06067	7.6
163.03969	2.1
163.06084	1.2
166.37372	0.9
167.03401	1.3
179.05580	2.5
180.04309	1.1
187.04010	12.8
188.04280	2.1
195.06641	1.1
205.05075	2.4
275.38345	0.9
281.06741	1.0
327.28979	2.5
405.12173	1.3
437.98074	1.0
461.24014	1.1
471.33295	2.4
473.14206	1.9
489.34399	5.7
587.13129	0.9
617.38837	2.7
633.39111	1.2
635.40619	10.2
636.40778	1.5
651.39600	17.9
652.39746	1.9
797.45581	100.0
798.45972	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	797.4689
Annotation	Thalicoside A1
Peak:m/z	Relative Intensity
57.03443	1.9
59.01105	1.1
59.01378	16.8
61.98532	1.0
61.98831	13.5
64.62403	1.0
70.66108	2.7
71.01380	22.3
72.99293	1.7
73.02956	6.0
75.00867	1.2
83.01375	4.6
84.05585	0.8
85.02959	12.5
87.00851	1.5
89.02439	6.0
95.01379	3.0
99.00868	3.3
101.02438	16.3
113.02452	8.6
115.05537	3.2
117.07105	1.4
119.03503	2.0
123.04557	1.0
133.06560	1.5
159.02925	1.2
161.04543	2.3
161.06049	4.0
187.03987	4.1
231.77208	0.8
256.15973	0.8
359.29614	1.6
399.31714	1.0
427.35928	1.1
473.36249	3.5
542.60107	1.0
635.41357	4.6
797.46912	100.0
798.47180	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.2
58.00584	0.8
59.01381	23.5
60.01712	0.3
61.98837	7.2
69.03461	1.0
71.01383	33.6
71.18131	0.7
72.99294	1.2
73.02545	0.7
73.02943	10.2
83.01394	6.8
85.02950	16.9
86.00098	0.5
87.00873	2.6
88.06600	0.4
89.02444	8.4
95.01385	3.8
97.02947	1.2
99.00900	3.4
101.02444	25.1
102.02832	0.9
111.00880	0.7
111.08144	1.6
112.01671	0.6
113.02447	13.9
113.06080	1.7
114.02741	0.4
115.05518	1.1
119.03487	2.6
125.02438	1.5
129.01938	0.7
131.03497	0.7
143.03503	1.1
159.03017	1.9
161.04535	3.6
161.05940	0.7
163.03925	0.4
179.05621	0.4
180.30348	0.4
187.03963	1.2
200.63826	0.3
221.06662	0.6
357.27951	2.5
358.28513	0.4
359.29474	0.8
473.14407	0.8
473.36298	1.0
474.00903	0.5
521.34729	0.9
522.35266	0.5
575.39972	0.7
635.41211	2.3
636.42401	0.7
651.39453	1.1
797.46875	100.0
798.47211	29.6
798.62708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.0
58.00587	1.5
59.01381	36.5
61.98827	7.2
69.03439	1.7
70.17107	2.2
71.01385	38.5
72.99293	2.4
73.02948	13.0
75.00873	1.1
81.03474	0.5
83.01390	7.7
83.64440	0.5
85.02956	21.3
87.00871	4.8
87.04527	1.1
89.02440	10.9
94.73950	0.6
95.01379	3.9
97.02936	1.0
99.00895	5.5
101.02449	28.9
103.04043	0.8
111.00878	4.3
113.01720	0.9
113.02454	14.3
115.05535	1.5
119.03501	3.5
123.04551	0.8
125.02409	2.0
129.01932	0.7
131.03496	1.2
141.02032	0.9
143.03502	1.9
159.02972	2.6
161.04535	2.4
161.06007	1.1
187.04062	1.5
190.14340	0.6
271.09671	0.6
283.26511	0.7
329.30533	2.0
364.75098	0.6
475.38211	1.7
491.35916	5.2
492.35974	1.2
635.40234	1.7
637.42328	4.0
638.42963	0.9
653.41199	20.0
654.41278	3.6
675.02612	0.7
799.47150	100.0
800.47504	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.0
58.00587	2.2
59.01380	43.6
61.98532	1.8
61.98829	29.7
65.80898	0.8
69.03449	1.9
69.25449	1.0
71.01387	51.0
71.09873	1.7
71.10218	1.3
72.01707	1.6
72.99309	4.6
73.02950	14.3
75.78867	0.9
81.03475	1.4
83.01395	9.6
84.02218	1.0
85.02959	26.3
86.00092	1.0
87.00880	5.3
87.04488	1.0
88.98792	1.1
89.02453	17.7
93.03465	1.0
95.01386	4.7
97.02938	2.1
99.00855	5.7
101.01781	2.0
101.02448	37.5
102.02795	1.4
103.03962	0.8
111.00882	5.0
113.02450	21.5
115.05562	4.8
117.07090	1.3
119.03530	5.4
123.04536	1.9
125.01626	1.4
125.02454	15.2
131.03523	1.9
133.06561	2.3
135.04526	4.5
143.03505	2.4
149.02422	1.8
150.03165	2.6
159.02963	2.9
161.04538	5.8
161.06068	4.6
165.05566	1.8
167.03456	2.7
168.00639	2.3
172.89496	0.9
186.75618	0.9
187.04079	5.3
191.03453	1.4
195.06702	1.6
205.04884	1.1
205.07115	1.4
213.05533	1.3
213.32507	1.0
225.00584	1.0
241.02905	1.1
241.05072	4.4
256.07452	6.5
271.09726	8.5
272.10129	1.5
329.30685	2.5
331.06689	2.6
349.92291	1.1
355.06567	1.0
433.14981	3.4
439.12570	2.0
473.14709	1.4
491.35730	5.5
635.39777	2.7
637.41791	6.6
653.41309	17.1
654.41553	2.3
799.47174	100.0
800.47485	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.6
63.50923	0.4
67.54197	0.3
69.35516	0.4
71.01378	2.7
71.47230	0.5
85.02956	0.5
87.00871	0.8
89.02460	1.3
100.66553	0.4
101.02451	1.7
113.02466	1.3
119.03522	0.9
127.28236	0.4
143.03452	0.5
161.04518	0.9
173.22948	0.4
179.05614	0.5
183.13911	5.1
184.14264	0.4
193.12344	1.3
211.13387	100.0
212.13725	6.4
235.08194	2.0
253.09245	6.6
267.64377	0.4
277.21713	61.1
278.22040	5.4
285.84457	0.4
365.64359	0.4
389.35507	0.4
429.21365	1.8
430.22104	0.4
447.22311	8.8
448.22617	1.0
513.30762	1.0
707.43817	0.5
744.85846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	85.1
60.99295	3.8
61.98832	100.0
66.32628	3.1
69.60991	16.7
71.01393	46.0
71.61639	2.7
72.99301	5.8
73.02939	11.0
74.25005	3.7
83.01366	8.8
85.02954	39.0
87.00889	4.3
88.98817	21.9
89.02449	5.2
93.84338	3.5
95.01389	3.3
96.96006	4.8
97.02945	6.5
99.00918	6.2
101.02434	20.9
104.65022	3.0
108.02169	6.6
113.02454	30.4
115.05537	46.3
116.92855	8.7
117.07103	27.3
123.04515	12.9
125.02432	11.8
135.04451	3.7
137.02409	4.1
143.03505	41.0
143.05058	5.7
149.02428	12.0
150.03183	20.1
153.05530	3.0
153.49063	3.0
155.03513	3.0
161.04759	4.6
161.06079	88.5
162.03333	3.3
162.06403	3.1
163.03880	3.1
164.04810	7.3
165.05585	47.6
187.02335	4.7
187.04005	86.2
195.06650	19.3
203.05580	4.1
205.04961	4.5
241.08662	4.7
323.11252	23.4
324.11694	3.5
345.11737	9.0
369.11838	11.5
469.13324	14.2
473.14297	12.2
489.17368	6.4
737.23212	26.8
738.23309	3.3
799.47290	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	800.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	37.5
59.53415	1.0
59.83103	1.1
60.99293	1.2
61.98831	100.0
69.03441	1.5
71.01004	1.5
71.01385	20.0
72.99313	2.1
73.02953	20.5
83.01382	5.9
85.02947	4.3
88.98798	8.6
89.02455	2.8
91.05494	1.2
95.01385	1.2
96.96037	1.3
97.02940	1.4
98.20647	3.8
99.04544	1.1
99.45815	1.0
101.02447	20.0
108.02171	1.3
113.02442	7.3
115.05539	46.5
116.05836	2.3
116.92845	3.5
117.03468	2.1
117.07116	10.4
119.03475	2.7
123.04543	6.7
124.01624	1.1
125.02438	4.5
131.03526	2.5
136.57602	1.0
143.03484	4.4
143.05034	3.5
155.03502	3.1
161.04601	4.5
161.06068	33.2
161.52739	1.0
162.06375	2.2
184.70132	1.0
187.04005	81.2
188.04362	6.1
203.05649	8.9
205.05028	4.2
230.06604	1.3
230.86940	1.1
239.80707	1.3
285.10040	1.3
301.03516	2.6
315.07092	1.8
323.11389	6.0
339.07391	1.6
340.72510	1.1
341.10785	1.8
345.11746	1.7
399.16562	1.5
469.13522	9.2
473.14465	21.8
474.14871	3.0
475.29263	1.3
535.19965	1.1
737.23041	7.5
738.23364	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	801.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	4.2
61.98823	6.4
63.02401	1.7
65.00310	3.4
66.91153	0.9
67.35035	1.0
71.56676	1.7
73.02915	1.4
83.01369	3.9
85.02943	1.7
87.00872	1.4
95.01395	1.3
96.96014	1.1
101.02418	1.8
107.01382	8.7
108.02196	1.6
109.02928	3.6
113.02456	1.3
121.02930	4.4
123.04569	1.1
123.45968	0.9
125.02419	1.6
129.01784	1.0
131.01341	1.0
132.02089	1.5
133.02911	4.2
134.03711	3.1
135.04503	2.5
137.02393	1.8
140.01096	1.2
143.05006	1.5
145.02988	1.3
149.02385	1.5
150.03221	1.0
151.00365	34.1
152.01045	1.0
153.01855	1.9
153.05486	1.0
155.03470	1.2
159.04526	0.9
160.01706	5.1
161.02452	10.8
163.00337	1.8
171.04442	1.9
175.00340	2.8
175.02605	1.8
175.03976	6.9
177.01950	1.2
178.99864	6.3
179.03456	2.4
180.04271	1.1
187.04001	1.7
191.03430	1.8
193.01288	1.4
193.05025	1.1
195.06535	2.1
199.03986	4.8
201.01987	1.7
211.04034	1.4
215.03447	3.8
226.02718	2.2
227.03514	7.3
243.02922	7.4
255.02974	5.4
271.02460	78.2
272.02859	9.7
283.02310	2.4
285.04025	1.4
299.01956	100.0
300.02631	38.9
301.03500	73.5
302.03827	6.3
314.03870	1.2
315.04745	9.1
323.07651	7.0
386.23465	0.9
396.55469	1.0
409.09549	1.4
463.08466	11.3
517.09521	2.2
595.05035	1.1
638.12848	8.7
639.13483	79.5
640.13934	15.5
647.06573	1.0
801.18787	33.3
802.18927	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	801.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.5
61.98536	2.4
61.98835	32.4
71.01378	9.6
71.56261	2.4
73.02940	4.0
75.05494	1.7
85.02945	6.2
89.02436	4.6
90.88634	1.8
99.00909	1.9
101.02441	8.8
113.02444	6.9
113.65013	1.9
115.05540	67.4
116.05907	2.9
117.03471	3.8
117.07096	2.8
119.03468	3.0
123.04565	2.9
143.05011	9.4
161.04794	1.9
161.06044	11.9
175.02483	3.5
187.03996	100.0
188.04318	4.2
205.05038	4.2
466.26453	2.0
473.14526	66.2
474.14761	9.9
639.44397	2.2
801.50140	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	801.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.4
59.01378	13.6
61.98832	31.1
70.85960	2.3
71.01386	15.3
72.01709	1.5
72.96542	0.9
72.99290	1.4
73.02947	4.2
73.43340	1.0
75.00890	1.2
83.01400	2.1
85.02942	8.1
87.00875	1.9
89.02441	5.7
90.02774	1.1
95.01412	1.5
99.00900	1.1
101.02459	9.1
102.02800	2.1
102.37915	1.2
113.02454	5.2
115.05539	67.7
116.05855	3.1
117.03477	3.3
117.07101	6.7
119.03568	1.2
123.04551	2.2
125.02416	1.4
143.05037	8.3
161.04707	1.7
161.06062	17.3
175.02444	1.6
187.04008	100.0
188.04303	6.8
205.05092	3.6
256.07468	1.2
271.09711	2.9
385.96600	1.0
394.90738	1.0
433.14996	1.3
473.14481	66.2
474.15131	8.7
800.47986	22.4
801.48535	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	801.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.5
58.00598	0.8
59.01381	32.2
61.98833	28.0
68.99810	0.8
69.03453	2.3
69.56605	5.4
71.01384	80.1
72.01711	1.6
72.99290	2.2
73.02953	22.5
75.00853	1.5
81.03448	1.3
83.01389	10.2
85.02954	40.4
87.00889	5.1
89.02451	11.6
89.26084	0.7
95.01389	8.6
97.02946	3.8
98.19747	0.7
99.00893	11.6
99.11925	0.7
101.02448	43.5
102.02778	1.2
103.04016	1.5
108.02174	12.8
109.02958	27.5
110.03287	0.9
110.22264	0.9
113.02457	36.7
113.03259	1.8
115.03993	0.7
116.92909	0.9
119.03507	2.8
123.00885	3.1
123.04525	1.1
125.02445	4.2
127.04018	2.1
129.01952	1.7
134.06102	2.3
135.04471	0.7
139.00357	1.1
143.03514	5.9
151.03992	1.1
159.03000	7.6
160.04053	0.7
161.04561	49.8
162.04863	1.8
179.07101	1.4
190.04980	0.9
196.34523	0.8
205.05008	1.2
205.06981	0.9
229.03667	1.3
241.05032	1.4
241.09683	0.8
255.06662	1.2
256.07455	2.0
271.08041	19.7
272.08713	1.2
283.10880	1.3
289.09335	1.8
315.18106	12.1
316.18362	1.0
339.07184	48.1
340.07458	4.6
425.21854	1.9
433.14957	3.8
461.23932	100.0
462.24323	12.1
475.15967	1.1
503.25107	2.3
529.22931	33.0
530.23529	5.1
541.57306	0.8
577.19012	2.3
678.23425	1.6
720.54559	0.8
769.27203	4.1
770.27777	2.2
774.82135	0.9
801.30487	2.6
801.49786	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	801.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.4
58.00578	1.1
59.01380	27.4
66.06947	0.6
71.01383	38.2
72.99299	1.9
73.02946	13.7
75.00868	0.6
83.01385	7.2
85.02950	16.8
86.03305	0.7
87.00864	2.5
89.02442	6.4
89.49318	0.5
92.78010	0.7
95.01382	2.5
97.02949	0.8
98.19833	1.4
99.00880	5.8
101.02444	27.4
103.04018	2.7
113.02448	14.8
115.04041	1.2
119.03513	1.7
120.73754	0.6
125.02460	1.7
129.01875	0.7
131.03517	1.7
131.29434	0.6
138.06851	0.7
143.03503	2.4
150.03218	1.5
151.07741	0.7
152.08363	1.1
153.09184	3.1
159.02919	3.3
161.04565	16.8
162.04823	0.8
163.06134	1.8
165.05537	2.4
179.05627	1.0
181.05087	1.0
187.03841	0.7
190.02744	1.5
205.05020	3.1
205.06972	1.2
205.12390	1.5
209.75105	0.6
223.06125	1.1
223.13252	1.1
230.62239	0.6
269.10306	32.2
270.10617	1.7
308.32104	0.7
353.08789	0.9
385.11349	1.9
385.18723	3.1
415.16095	100.0
416.16406	12.5
520.57977	0.7
767.22766	0.6
775.41919	0.7
784.39240	0.8
817.97003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	54.0
63.87623	0.4
65.00307	0.7
78.09472	0.6
83.01403	1.0
99.30476	0.4
107.01387	1.7
117.64070	0.5
132.02188	0.9
135.00867	1.1
151.00380	4.3
163.00354	0.9
169.01442	0.7
178.99835	2.0
183.04510	0.9
187.04041	0.9
190.99767	0.6
198.17924	0.5
200.04982	0.6
211.04004	1.7
227.03490	33.5
228.03880	3.0
229.05058	1.4
239.03397	0.7
241.05115	0.6
243.59651	0.5
255.02985	64.5
256.03488	9.2
257.04605	1.2
283.02411	1.6
284.03256	100.0
285.03873	19.1
327.04910	0.9
534.67920	0.6
669.76813	0.5
739.20911	75.4
740.21173	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	802.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.1
61.98829	100.0
62.98539	0.3
70.15619	0.4
76.09498	0.1
77.25562	0.1
211.13445	0.5
212.13765	0.3
213.14020	0.2
233.90277	0.1
244.74669	0.1
277.21881	0.2
278.22119	0.2
419.35361	0.1
573.30743	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01382	100.0
60.01716	1.3
61.98834	6.7
71.01386	11.7
72.99339	0.3
73.02951	3.7
81.03413	0.4
81.31429	0.3
82.32070	0.3
83.01394	2.0
85.02961	5.0
85.46404	0.3
87.00890	0.7
88.98788	0.5
89.02434	1.8
95.01418	0.9
97.02962	0.3
98.20670	0.7
98.69029	0.3
99.00877	1.5
101.02448	6.3
113.02463	4.5
115.05565	0.9
115.93668	0.3
116.92883	0.5
125.02412	0.3
134.06184	1.0
137.02461	0.4
140.05923	0.3
143.03522	0.4
152.07259	0.4
159.03061	0.9
161.04582	4.7
161.05952	0.5
166.21312	0.3
187.04031	0.7
211.13507	0.6
287.79907	0.4
315.18134	8.4
316.18585	1.0
357.19119	1.9
489.41580	0.3
609.24310	0.3
699.64825	0.4
729.27893	1.8
730.28571	0.6
771.29663	1.2
772.29962	0.7
803.31934	0.5
803.49518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74422	0.1
59.85709	0.1
61.17228	0.1
61.98829	100.0
62.98522	0.2
70.22723	0.3
72.75077	0.1
75.93026	0.1
87.26683	0.1
111.47658	0.1
178.81837	0.1
200.81685	0.1
283.13354	0.1
293.83295	0.1
311.99368	0.1
388.26407	0.1
407.83707	0.1
535.28436	0.1
553.42603	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	804.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52345	0.1
61.98830	100.0
62.98532	0.2
67.25005	0.1
69.26419	1.2
73.08939	0.1
76.46766	0.1
77.51648	0.1
98.19917	0.3
101.02451	0.1
123.80921	0.1
125.02461	0.3
181.05154	0.2
301.96848	0.1
418.16245	0.2
741.78595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.2
59.01378	1.9
61.98830	100.0
62.98549	0.2
67.08237	0.2
69.38854	1.0
71.01385	1.2
73.02963	0.6
74.56061	0.1
83.01387	0.8
85.02969	0.5
87.00859	0.2
89.02446	0.8
95.01390	0.3
98.19818	0.3
101.02428	1.1
111.97847	0.2
113.02443	0.8
119.03524	0.3
123.04523	1.6
125.02466	0.3
127.00426	0.3
137.02444	0.3
143.03523	0.3
149.02495	0.3
150.03230	0.2
161.02397	0.2
161.04604	0.7
164.04691	0.2
165.05598	0.4
175.02582	0.2
175.04012	0.2
176.83780	0.2
178.02745	0.2
179.03735	0.2
179.05611	0.3
181.01419	0.2
190.02756	0.2
193.01398	0.2
193.05099	0.2
195.06607	0.2
210.84178	0.2
211.06119	0.3
223.06177	0.3
239.55634	0.1
239.60065	0.2
241.07242	0.4
249.72375	0.1
269.10233	0.3
326.98120	0.2
341.10980	0.5
353.08899	0.6
367.10281	0.2
399.16669	0.5
409.09930	1.4
415.16071	0.8
483.14893	0.7
533.64020	0.2
563.17761	0.2
630.19623	0.2
745.25311	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.8
61.98829	100.0
70.56081	0.7
70.56411	0.4
71.01385	0.7
89.02445	0.5
93.04874	0.3
101.02411	0.6
111.08157	0.6
169.12321	0.4
171.10251	0.3
197.11829	3.6
211.13388	0.5
219.29530	0.3
225.14949	0.3
235.08247	1.3
247.68552	0.4
251.16597	0.4
253.09218	2.4
277.21692	16.8
291.19589	2.6
309.20660	5.7
336.14539	0.3
347.83862	0.4
364.72870	0.4
420.96362	0.3
436.16171	0.3
532.66614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.9
61.98832	10.8
64.15948	0.8
67.01890	1.4
71.01391	3.4
82.20947	0.7
85.02943	1.2
88.98792	1.5
89.02435	1.3
97.06578	0.7
101.02419	1.6
109.02929	5.0
113.02451	1.4
119.03478	0.8
121.02982	1.4
121.06611	1.8
122.06153	0.8
123.00896	1.4
123.04514	1.1
125.02440	1.8
135.04506	0.7
136.01640	2.3
137.02444	25.2
138.02924	0.7
145.02957	0.9
149.02496	1.6
150.03229	2.6
151.00351	9.1
151.03995	4.2
152.01117	0.9
152.04802	1.9
159.04463	0.8
162.03159	1.1
163.04024	1.3
164.01152	1.7
165.01932	100.0
165.05553	4.4
166.02705	32.9
167.03363	2.7
175.02541	0.9
175.04007	1.3
177.01988	1.8
177.05608	0.9
179.03500	20.3
179.07115	1.1
180.04288	61.7
181.05060	37.5
182.05379	1.7
184.03709	0.9
187.03979	1.5
189.40805	0.8
190.02762	1.0
190.06300	1.5
191.03520	1.5
192.04298	1.7
193.05052	2.0
194.05806	3.8
195.02974	2.1
195.06627	77.1
196.06999	4.6
202.06313	0.9
205.05017	4.6
207.06636	2.3
210.05327	9.6
219.06502	1.1
220.07454	2.4
225.07681	64.4
226.07925	3.8
244.45441	0.8
265.09653	0.9
279.11343	1.3
359.11356	1.5
371.11261	1.2
386.13422	1.1
387.09970	4.0
387.14972	6.6
402.13315	2.1
403.13898	2.1
416.14874	2.9
417.15521	42.7
418.15808	6.3
565.18884	2.5
567.30408	2.7
580.20135	1.0
595.21814	41.8
596.22278	8.6
643.23895	20.8
644.23871	5.5
773.30627	2.9
774.32001	1.0
805.32715	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	805.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01095	1.5
59.01381	20.2
60.99290	2.1
61.98833	15.7
64.23553	0.8
69.43040	6.2
71.01383	2.1
85.02961	1.6
88.98823	8.1
89.02468	1.2
89.80939	0.9
93.03452	3.8
96.95974	1.6
101.02439	0.8
116.92858	1.2
121.02945	4.8
122.03740	13.9
123.00840	0.9
123.04472	1.5
129.01907	0.9
133.02979	1.2
134.03741	1.4
135.04494	1.0
136.01633	1.9
137.02417	1.7
144.64964	0.8
149.01262	1.8
149.02446	29.9
150.03233	95.8
151.03575	5.3
160.01640	1.9
164.04805	8.0
165.05569	100.0
166.05890	4.8
175.02502	0.9
175.03990	1.8
177.05539	1.2
179.07101	1.5
180.04320	6.7
195.06624	57.2
196.06969	3.3
205.04999	1.0
219.06555	1.0
268.07486	2.0
283.09769	2.5
293.08090	1.3
296.07001	1.2
297.11264	1.1
307.09753	1.2
308.06927	1.9
308.10571	2.6
309.07526	2.1
311.09213	1.8
312.06277	1.6
322.08426	1.3
323.09244	3.4
324.06458	1.5
324.10083	2.4
325.10703	3.8
326.11603	5.0
327.08679	7.7
338.11469	2.0
339.08649	12.6
339.12476	2.4
341.10132	1.8
341.13986	3.7
342.11044	8.9
343.11343	1.2
354.11041	5.1
355.11591	1.2
357.13419	26.9
358.13681	2.5
369.13394	30.4
370.13748	2.5
387.14532	2.3
461.16071	1.4
472.15012	1.6
487.16965	1.8
505.18927	4.6
517.18878	1.9
520.17010	1.2
535.19751	52.6
536.20197	9.0
553.20630	2.6
565.20728	2.7
583.21851	86.6
584.22131	19.6
667.43604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23974	1.0
57.11366	0.8
59.01378	5.8
61.98522	1.7
61.98832	20.7
67.01889	1.2
69.43455	6.5
71.01402	4.4
73.02941	1.2
85.02934	1.8
87.00890	1.5
88.98827	2.6
89.02478	2.1
95.01376	2.3
95.05083	1.1
96.96016	3.2
98.19919	2.0
101.02460	2.6
103.59736	1.0
107.05046	1.1
108.02189	1.2
109.02954	4.9
113.02451	2.4
115.00385	1.2
122.06207	1.0
123.00880	3.1
123.04543	2.0
124.01665	4.8
125.02463	5.3
134.06094	1.1
135.04527	2.7
136.01656	2.0
137.02451	27.9
138.03073	1.0
139.00360	1.0
145.02927	1.1
149.02432	2.6
149.99596	5.1
150.03250	8.9
151.00388	7.7
151.04031	4.9
152.01146	1.9
152.04820	2.7
159.04480	1.4
161.02525	1.2
162.03238	2.7
163.04056	1.6
164.01183	2.5
164.04823	1.5
165.01932	100.0
165.05566	14.1
166.02711	20.5
166.06036	1.0
167.03484	6.6
168.00668	6.3
175.02481	2.9
175.03925	1.8
177.01985	1.9
177.05566	2.5
178.02682	1.5
179.03485	23.2
180.04282	58.9
181.05054	27.1
182.05331	1.4
184.03691	0.8
187.03993	2.6
192.04208	1.1
193.05029	1.7
194.05798	4.0
195.02986	2.7
195.06628	77.8
196.06985	4.5
205.05066	6.1
205.08722	1.1
206.05537	0.9
207.06673	1.3
210.05341	8.9
220.07437	3.4
225.07675	54.2
226.08043	3.1
251.05780	0.9
253.04903	1.0
354.10861	1.2
357.13370	2.7
359.11276	1.1
369.13406	3.6
386.13809	1.0
387.10742	3.4
387.14597	3.8
402.13260	2.2
403.13956	3.1
416.14792	3.1
417.15561	44.5
418.15613	5.4
565.20331	1.8
583.21729	2.9
595.21869	51.5
596.22192	7.6
643.23999	21.2
644.24408	4.0
761.97955	0.8
773.30066	1.6
805.18524	5.5
805.32971	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	805.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73460	0.6
59.01383	5.6
61.98833	29.5
67.39697	0.8
70.93955	1.7
71.01385	5.7
72.99306	1.0
73.02946	1.1
78.95901	0.9
83.01415	0.7
85.02963	2.2
87.00901	1.8
88.98810	3.3
89.02428	5.1
93.03452	0.7
95.01399	1.5
96.96017	6.9
96.96948	1.0
99.00926	0.9
101.02445	3.7
109.02980	2.0
113.02468	2.5
115.00391	2.7
116.92867	1.6
119.03515	1.1
121.02982	0.8
122.06084	0.6
123.00838	1.6
123.04530	1.0
125.02483	1.8
125.83930	0.6
131.28311	0.7
134.03780	0.8
135.04579	1.3
136.01651	1.0
137.02444	17.6
145.02933	0.8
149.02458	1.5
150.03168	1.3
151.00377	6.7
151.04001	2.0
161.04584	0.7
162.03172	0.9
163.04037	2.2
164.01140	1.1
164.04816	1.0
165.01929	99.5
166.02696	20.0
167.03468	2.3
174.01732	0.9
175.02493	5.5
175.03893	1.2
177.01961	5.2
179.03503	14.5
179.07007	0.7
180.04277	63.9
181.05067	20.2
182.05367	1.3
187.04074	1.6
192.04288	4.2
193.05051	1.0
194.05824	3.2
195.02960	2.7
195.06624	81.2
196.06937	5.2
205.05046	1.4
207.06586	5.1
210.05338	13.9
211.05879	1.2
220.07336	0.9
225.07680	100.0
226.07999	5.5
337.08441	0.8
387.10699	2.6
387.15060	4.8
395.19037	0.7
402.13205	2.0
417.15527	23.0
418.15656	2.1
537.74615	0.8
595.21637	2.5
613.23096	1.0
625.22406	1.0
643.23999	14.8
644.24603	3.2
682.25043	1.5
685.38098	0.9
773.28992	0.8
805.27258	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.0
61.98831	34.7
64.08694	1.5
69.34596	3.4
69.34998	9.7
71.01376	11.2
73.02924	1.6
80.05050	2.0
81.23081	1.4
83.01391	1.6
85.02953	4.8
89.02433	5.5
94.06631	7.0
95.02573	1.6
96.43207	1.5
98.20702	2.9
101.02444	6.7
102.38406	1.7
106.06624	6.2
107.03783	10.1
113.02441	4.4
113.03618	1.9
116.92796	1.6
119.03526	1.8
120.08188	15.1
121.05352	2.3
122.06122	79.4
123.04511	3.5
123.06460	2.8
124.07670	2.4
132.04576	2.3
134.06129	22.2
136.07706	2.6
139.02768	3.3
139.04112	1.9
148.07707	1.7
150.05649	3.1
152.07175	84.4
153.07523	3.8
160.04028	2.6
161.54416	1.6
174.05594	1.6
175.02486	2.7
190.05132	5.7
211.08665	2.1
221.10896	4.3
223.08731	6.6
224.09518	3.6
225.07942	2.0
225.10318	4.8
227.11903	1.7
237.10321	8.5
238.11003	4.2
239.11873	8.8
241.13586	3.1
245.13042	2.4
249.10367	2.4
251.08208	5.7
251.11905	5.5
253.13538	1.9
263.08167	6.0
264.09018	9.9
265.09784	9.9
266.06879	1.6
267.11172	1.7
269.12967	2.0
271.10910	3.7
276.08865	2.0
277.09827	3.9
278.10397	2.2
279.08347	2.5
279.11365	25.6
280.11917	5.1
283.10944	1.6
291.11331	5.9
292.12030	2.3
295.10910	3.7
305.09415	4.9
305.12906	1.7
307.10886	2.2
318.16061	1.7
323.10419	10.0
324.10886	2.6
325.12012	4.3
337.07889	3.1
342.16168	4.7
355.13007	5.2
358.19315	1.9
359.16211	1.9
360.17130	5.2
372.17526	1.9
384.17435	2.8
386.15027	3.5
398.14713	2.2
402.18329	8.8
403.18744	2.5
404.19571	2.3
422.66211	1.8
426.18347	2.9
428.15652	3.0
444.19156	6.7
445.19702	3.4
448.18765	5.8
460.19012	3.4
471.18005	2.7
488.18210	8.4
489.19052	8.2
490.19220	2.4
502.20096	7.5
520.20996	14.4
525.24896	4.4
551.22620	1.9
562.21790	2.3
567.25977	15.3
568.26343	3.3
593.24146	12.2
594.24286	5.3
611.25043	80.5
612.25262	15.3
625.26666	33.3
626.26495	9.2
643.27765	100.0
644.28131	23.4
651.23773	2.2
685.28735	10.5
717.36035	2.0
761.37903	4.3
773.30646	7.3
774.30615	2.4
805.31317	13.1
806.32813	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	805.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	36.2
61.98833	24.9
71.01383	21.0
72.99328	2.0
73.02939	2.5
74.31154	1.1
80.05063	1.5
83.01414	3.0
85.02969	4.6
87.00890	3.6
87.95692	1.4
89.02440	14.8
90.22192	1.2
91.80855	1.2
95.01394	2.2
95.17764	1.3
96.00969	1.4
99.04337	1.2
101.02418	10.4
101.02900	1.1
106.06631	5.8
107.03766	3.0
113.02442	9.0
116.74677	1.2
119.03500	5.6
120.08182	12.9
122.06129	21.7
125.02554	1.3
126.65018	1.2
127.67737	1.3
130.08694	1.4
134.06128	28.6
136.07689	2.0
146.06120	1.7
150.05600	1.7
152.07130	9.2
158.02516	2.5
161.04643	2.3
179.05600	1.6
190.05135	4.0
223.08791	4.4
229.62207	1.7
236.09494	1.8
237.10371	4.1
238.11021	2.6
239.11852	6.1
241.13457	2.1
249.06667	1.5
249.10468	1.9
251.08232	3.6
251.11920	7.2
252.12538	2.2
263.08240	4.5
263.11722	2.1
264.08997	10.2
265.09750	7.5
265.13605	1.4
266.10382	1.6
277.09784	8.4
278.10464	3.4
279.11398	27.9
280.11862	5.3
281.13025	3.1
283.10886	1.6
291.08517	1.3
291.11316	7.6
292.12128	3.2
293.12866	2.7
305.09338	2.1
314.12518	2.0
323.10349	2.7
324.11279	4.3
325.11783	2.0
337.12161	1.5
356.17673	1.5
360.16776	1.7
370.15622	2.2
372.17212	1.9
384.17181	2.6
385.18045	2.1
399.19897	1.9
405.35706	1.5
444.19284	2.2
462.20355	3.2
472.18451	2.7
473.19635	2.0
490.19836	4.5
503.32077	1.9
521.33209	7.2
606.24597	3.2
611.25476	1.8
643.27643	3.2
650.23688	11.3
651.24286	14.6
652.24341	2.6
682.26245	14.3
683.26721	3.3
773.30420	100.0
774.30878	23.0
788.38489	2.0
805.32745	37.8
806.32953	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	805.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.3
61.98829	59.4
71.01381	17.9
72.99304	1.9
73.02938	1.7
82.92024	1.1
85.02949	5.9
87.00876	2.0
89.02447	12.0
94.06590	1.2
95.01384	2.3
96.00923	1.6
97.42262	1.1
99.00861	1.5
99.81055	1.0
101.02435	11.7
106.06601	3.9
107.03743	1.6
112.98483	1.1
113.02464	8.5
115.00298	1.1
119.03481	4.1
120.08173	11.7
122.06126	15.6
124.01691	1.3
125.02462	1.4
130.08699	2.5
132.04552	2.4
134.06111	25.0
136.07652	1.5
139.04062	1.4
146.06093	1.0
150.05595	1.8
152.07182	5.0
158.02435	1.5
161.04562	3.7
174.05542	1.2
175.02448	2.7
190.05048	3.6
210.12485	1.1
223.08710	2.8
224.09480	1.7
225.10223	1.6
236.09592	1.2
237.10214	3.4
238.11000	2.5
239.11880	7.9
241.13376	1.4
249.06627	2.1
249.10252	2.0
251.08194	4.4
251.11884	5.2
252.12402	1.5
253.13321	1.5
263.08176	5.0
263.11780	2.1
264.09042	6.9
264.11398	1.2
265.09756	7.8
265.13541	1.1
271.10672	1.2
276.09033	1.3
277.09744	5.4
278.10562	2.6
279.11362	17.3
280.12021	2.7
281.12860	2.9
291.11310	4.0
292.12076	4.2
293.12735	2.2
314.12296	2.2
324.11365	4.8
337.11960	2.2
368.14282	1.4
369.08215	1.4
379.08896	9.6
384.17123	2.8
386.18875	1.8
402.17920	1.5
414.18298	1.9
426.18256	1.7
435.22321	4.3
444.19028	3.8
459.17780	1.4
460.18805	1.7
462.20175	2.8
471.18140	1.6
472.18491	3.9
473.19287	2.0
490.19742	4.9
606.24152	2.0
650.23920	5.2
651.24084	11.3
652.24554	2.2
682.25934	6.1
752.73895	1.8
773.30310	100.0
774.30774	26.3
788.38196	4.4
805.32874	40.6
806.33289	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	805.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01376	1.6
61.98842	1.0
69.03446	0.3
71.01379	0.3
71.05012	0.5
83.05021	0.4
89.73396	0.2
93.03462	0.3
95.05022	0.8
97.06600	0.3
98.19859	0.6
98.73677	0.2
109.06596	0.5
111.08161	9.1
112.08513	0.3
113.09717	0.5
119.05000	0.3
123.08135	0.2
135.11816	0.2
137.09698	0.9
139.11302	0.2
139.27444	0.2
149.09741	0.3
167.10760	2.2
177.12830	1.8
179.10793	1.6
180.11026	0.2
195.13895	6.0
203.14322	0.3
219.17467	0.2
229.96733	0.3
247.20711	1.8
253.09372	0.6
273.18695	1.0
277.21725	4.1
278.21997	0.4
291.19650	100.0
292.20001	9.3
387.44434	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
61.98830	3.9
63.92831	0.4
69.03436	0.4
71.01371	2.5
73.12481	0.3
79.16332	0.3
80.79641	0.3
85.02963	0.5
85.35251	0.4
87.50026	0.3
89.02430	1.7
93.28838	0.3
96.35760	0.4
101.02469	2.9
113.02464	1.5
113.09782	0.3
119.03503	0.7
121.16808	0.4
161.04530	1.3
179.05614	0.4
179.10838	0.4
179.14384	1.0
191.12442	0.3
195.13908	8.0
196.14508	1.0
205.12392	0.8
205.16000	0.5
211.13382	0.5
217.04782	0.4
223.13390	4.7
224.13724	0.4
228.13756	0.5
235.08202	0.9
249.11209	0.5
253.09277	17.0
254.09631	0.8
256.13245	0.9
275.20139	5.4
277.21783	0.6
293.21228	100.0
294.21530	9.7
309.20645	0.9
433.85797	0.4
492.22400	0.5
529.30206	0.7
569.42114	1.2
724.32324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93677	1.6
58.02966	7.4
58.44459	1.5
59.01385	12.3
61.08576	1.5
61.98830	98.2
70.02985	3.4
71.01391	10.8
71.01734	1.7
71.02504	5.0
71.56013	2.0
72.91457	1.7
73.02950	2.0
73.04076	12.3
74.31702	1.5
77.57109	1.7
78.14139	1.5
79.40068	1.6
82.02982	4.5
83.02518	6.5
84.00890	1.9
84.08204	2.3
85.02975	2.7
87.00880	2.1
89.02422	5.3
91.97325	1.7
96.00916	63.6
96.95982	8.1
98.01880	3.0
98.02477	41.0
99.00864	1.9
99.02029	2.9
101.02433	4.7
108.03304	2.0
109.04134	2.0
110.02473	36.0
110.03590	5.4
112.07727	2.5
113.02431	4.5
113.03574	13.6
115.00395	2.1
115.05114	10.7
116.92848	2.0
119.03469	1.6
120.08196	2.1
122.06120	3.1
123.04506	3.8
123.05644	1.8
123.55651	1.7
129.10342	25.9
130.08737	96.8
131.09062	2.2
134.06100	2.7
139.08743	9.3
141.10387	20.5
143.11964	8.0
146.06107	14.8
149.03583	6.2
151.05110	2.7
151.08745	11.7
152.07198	4.0
153.03012	2.0
158.50430	1.7
161.04510	1.9
167.04553	1.9
167.05821	2.5
167.08264	9.4
167.10596	10.8
167.11897	3.9
168.09039	4.6
168.11435	24.4
169.09801	9.4
173.07199	2.4
175.02458	5.0
177.05409	1.9
186.12456	19.7
187.10849	24.9
198.08006	3.2
209.06770	6.0
210.12473	36.7
211.10876	2.5
228.11418	2.1
228.13470	11.6
237.12450	3.4
241.13474	23.1
242.13745	3.5
258.16122	22.6
262.11945	4.5
265.98914	1.7
266.13913	2.8
276.17191	7.5
279.11288	2.4
280.12869	9.0
315.18311	6.1
321.83047	1.9
324.11984	84.8
325.12125	7.4
333.19238	4.6
357.19318	19.8
358.19629	2.3
368.14621	19.2
375.20374	35.5
376.20605	5.3
379.08939	2.5
472.21838	2.4
700.32886	6.7
744.35834	34.9
745.35895	6.6
774.30798	14.8
775.30408	3.0
788.38385	100.0
789.38562	30.9
806.39807	19.3
807.39337	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	807.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01379	9.7
61.98833	32.9
71.01375	6.4
71.10836	1.5
73.02946	1.7
83.01410	1.3
84.89458	1.0
85.02963	2.6
86.59909	1.0
87.00867	2.6
88.98791	3.0
89.02448	2.6
91.01907	1.1
93.03456	5.2
93.75981	1.2
95.01389	1.7
96.96043	3.6
101.02459	4.5
109.02965	1.4
110.55730	1.2
113.02445	2.5
115.00361	1.2
116.92864	1.1
119.01397	2.5
119.05006	1.8
121.02928	4.5
122.03726	5.6
123.00916	1.4
123.04554	1.6
125.02415	4.0
133.02963	1.6
134.03761	1.3
135.04507	3.2
137.02455	9.1
145.02980	3.2
145.77577	1.0
146.03748	1.5
147.00887	1.9
149.02449	32.8
150.03229	49.0
151.03766	4.4
161.02489	1.6
161.04552	1.6
162.03244	1.5
163.03986	2.4
164.01027	1.0
164.04802	20.2
165.01926	61.0
165.05569	45.6
166.02495	4.0
166.05971	2.2
167.03413	1.9
175.00378	23.7
175.02135	1.5
175.02438	1.4
175.03877	1.5
179.03622	2.3
179.07175	3.1
180.04282	42.6
181.04958	5.7
183.06635	1.4
190.02718	55.9
191.03143	4.7
191.05695	1.0
193.04930	1.4
195.06621	100.0
196.06929	6.7
205.05048	59.2
206.05391	2.8
208.03775	1.8
223.06096	16.6
233.14807	1.1
243.08722	9.8
270.67474	1.1
285.03915	2.9
292.56262	1.4
295.96848	1.1
301.07251	3.0
316.09406	1.8
331.11905	8.7
367.10321	94.9
368.10751	9.6
380.83487	1.0
391.14008	13.8
392.14386	1.6
418.15829	1.1
439.16055	29.1
440.16431	4.6
496.70883	1.3
508.86475	1.3
563.17645	11.0
564.17926	2.1
645.20886	1.4
807.27136	17.3
808.27008	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	808.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98831	100.0
62.98542	0.2
69.33604	0.5
69.34026	0.3
71.01392	0.7
73.02931	0.2
83.01427	0.1
85.02957	0.2
87.00893	0.1
88.98818	0.2
89.02444	0.8
101.02453	0.7
113.02460	0.3
119.03511	0.3
125.02439	0.1
131.03554	0.1
134.06201	0.1
142.55783	0.1
143.03519	0.1
149.02419	0.1
150.03329	0.1
152.07190	0.2
161.04611	0.1
165.01851	0.1
165.05560	0.1
175.04082	0.1
179.05678	0.2
195.06659	0.2
199.04153	0.1
226.87637	0.1
227.03494	0.1
270.05380	0.2
271.06213	0.2
285.07727	0.4
286.08401	0.2
300.10168	0.5
301.10812	0.3
331.12067	0.4
369.13400	0.1
408.02682	0.1
476.48239	0.1
482.60785	0.1
506.19733	0.3
507.27847	0.1
549.29346	0.1
567.30243	0.5
808.27069	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	808.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90327	0.1
59.01379	0.9
60.99309	0.1
61.98830	100.0
62.98539	0.2
71.01402	0.7
71.56483	0.2
73.02968	0.1
74.41116	0.1
83.01411	0.2
84.14462	0.1
85.02953	0.2
87.00901	0.2
88.98780	0.1
89.02453	0.3
101.02469	0.3
103.92201	0.1
113.02456	0.2
116.29140	0.1
116.92896	0.1
119.03510	0.1
124.00143	0.1
125.02467	0.2
137.02449	0.2
143.03590	0.1
145.02960	0.2
150.03261	0.3
151.00363	0.1
161.02516	0.2
163.04002	0.1
165.01958	0.4
165.05629	0.3
166.02557	0.2
175.02556	0.3
180.04291	0.4
181.05009	0.3
195.06581	0.6
196.07045	0.2
225.07803	0.3
226.08243	0.1
271.06296	0.2
357.13474	0.1
369.13754	0.1
417.15543	0.1
418.15942	0.2
419.16373	0.1
567.30499	0.4
594.44183	0.1
598.22565	0.2
639.83667	0.1
645.25092	0.2
696.94672	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	808.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	0.1
59.01374	2.1
59.17718	0.1
61.98830	100.0
62.98534	0.3
71.01385	1.2
71.56284	0.1
72.22495	0.1
72.99322	0.2
73.02956	0.3
75.00864	0.1
76.52040	0.1
83.01395	0.3
83.50534	0.1
85.02971	0.4
87.00896	0.4
88.98830	0.3
89.02451	1.0
95.01382	0.2
96.96024	0.3
99.00890	0.2
101.02422	0.8
109.02999	0.1
113.02431	0.6
115.00385	0.3
116.92865	0.1
119.03513	0.4
119.05019	0.2
123.04539	0.2
125.02454	0.3
135.04529	0.1
137.02521	0.2
143.03484	0.1
145.02942	0.1
149.02475	0.2
150.03215	0.4
151.03856	0.1
153.05598	0.1
161.04565	0.4
164.04916	0.1
165.01854	0.1
165.05606	0.3
166.05870	0.1
174.01698	0.1
175.02499	0.6
179.03439	0.1
179.05692	0.2
179.07236	0.1
180.04364	0.1
193.05128	0.2
195.06575	0.5
198.10849	0.1
203.66064	0.1
285.04199	0.1
285.07617	0.2
399.56305	0.1
501.23639	0.1
543.38257	0.1
567.30200	0.4
586.22546	0.1
627.33929	0.2
628.34149	0.2
808.41052	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.1
60.04266	1.1
61.98832	58.2
63.79010	1.2
71.01382	10.9
71.11279	2.7
71.34973	1.4
72.99275	1.3
73.02955	2.0
78.53908	1.2
85.02930	1.8
88.98792	1.5
89.02436	6.8
93.03453	3.2
95.01395	1.2
101.02459	4.3
109.02974	1.3
113.02457	4.2
115.05544	4.4
117.07158	1.3
119.03512	1.5
121.02925	2.9
122.03751	9.5
123.04527	2.8
125.02471	2.5
131.22136	1.1
134.03714	1.2
135.04495	1.3
135.43938	1.2
136.01639	2.3
137.02457	7.1
145.02867	1.3
149.02443	13.3
149.06013	1.7
150.03224	59.9
150.85081	1.2
151.00357	1.4
151.03677	3.9
160.01688	2.3
161.02359	2.7
161.04601	3.1
161.06056	4.0
163.03995	3.9
164.04805	3.5
165.01936	27.3
165.05576	53.7
166.05867	2.3
175.03993	5.5
177.05618	2.2
179.03473	8.6
179.07141	3.3
180.04271	22.7
181.04907	3.0
187.04002	5.6
190.06444	1.7
194.05815	2.6
195.06619	80.8
196.06929	3.7
205.99513	1.5
209.08150	2.2
210.05301	4.1
222.05286	3.7
225.05688	1.2
225.07669	27.5
226.08070	1.4
238.06334	2.3
239.07118	1.9
240.07916	3.3
241.05104	1.5
243.06624	2.0
253.04945	1.4
255.10246	2.3
256.07391	3.4
266.05875	1.9
267.06619	2.8
268.07379	13.2
269.07855	2.3
271.09818	2.2
279.06531	2.6
280.07346	4.2
281.08109	1.9
283.06757	2.0
283.09653	8.0
284.06784	3.0
291.06677	1.6
293.08151	1.7
294.08853	1.4
295.06055	2.5
296.06879	5.8
297.07648	3.4
299.09210	3.3
307.06036	3.0
308.06918	7.1
309.07681	9.9
311.09290	4.5
312.06396	8.1
313.10770	2.1
321.07657	2.5
322.08490	4.7
323.09219	16.2
324.06326	5.3
324.09998	10.1
326.07877	2.8
326.11627	1.8
327.08731	30.9
327.12152	1.2
328.09106	4.5
337.10834	2.2
338.11551	5.4
339.08728	47.7
339.12381	7.6
340.08936	4.8
341.10254	4.5
342.11069	36.2
343.11612	7.7
354.11081	14.8
355.11569	2.3
356.12607	2.0
357.13428	96.8
358.13773	12.2
369.13403	100.0
370.13760	11.9
373.12805	9.7
387.14447	1.5
420.68286	1.3
421.15002	5.1
565.20801	14.6
579.20599	1.6
613.23175	9.5
701.26062	1.4
713.26422	1.7
731.26288	1.6
761.27972	2.9
771.42810	1.7
809.42426	7.0
810.42346	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	809.3027
Annotation	Hedyotisol A
Peak:m/z	Relative Intensity
59.01402	1.0
61.98829	10.2
63.73728	0.4
68.97102	0.4
71.01381	1.0
85.02958	0.6
93.03456	4.5
93.03918	0.4
95.01428	0.6
95.05067	1.0
98.19915	0.8
101.02442	0.6
108.02208	0.7
109.02969	2.1
113.02525	0.5
115.05539	0.5
121.02951	7.3
122.03743	17.8
123.00835	0.5
123.04518	1.3
124.01668	0.7
125.02446	0.6
132.02188	0.8
133.02931	2.6
134.03777	2.8
135.04536	0.8
136.01666	6.8
137.02452	5.2
138.03236	0.4
139.03969	0.6
145.02943	0.6
146.03780	1.9
146.26704	0.4
147.04543	1.1
148.01637	0.5
149.02443	30.6
149.06046	2.9
150.03226	100.0
151.00409	1.9
151.04022	16.6
152.04689	1.3
159.04489	0.4
161.02504	0.7
161.06105	1.2
162.03261	1.3
163.03989	0.7
164.04814	5.6
165.05565	87.1
166.02708	6.0
166.05913	4.2
167.03467	1.2
173.02480	0.7
175.04033	0.5
177.01944	0.6
177.05540	2.4
178.02740	0.7
179.03467	1.1
179.07135	8.1
180.04250	6.1
180.07469	0.5
180.39575	0.4
181.05057	8.2
187.02127	0.5
187.03963	1.5
190.02629	0.5
190.06331	0.6
192.04236	0.6
193.05067	1.3
195.06613	49.2
196.06961	3.5
199.25505	0.4
205.05009	2.3
207.06470	0.6
207.26331	0.4
208.55348	0.4
219.06584	1.5
220.07335	1.4
233.08116	0.6
329.10614	0.6
371.11072	0.5
387.10355	1.1
387.15164	1.9
402.13336	0.6
403.13864	1.1
405.63559	0.5
416.14661	0.9
417.15518	9.2
418.15640	1.5
469.47061	0.4
471.16403	0.9
535.19220	0.6
537.19806	0.5
551.18530	0.5
564.19824	1.6
565.20789	19.5
566.21149	2.8
595.21423	2.2
613.22821	4.1
614.04663	0.4
614.23108	0.7
619.21271	1.8
667.24994	0.6
713.26031	7.9
714.25525	1.6
743.26874	3.1
744.26978	1.3
761.27631	1.6
762.28003	0.7
773.27368	0.4
791.27307	0.5
809.29816	1.5
810.29895	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61327	0.5
59.01381	2.5
61.98831	15.9
71.01390	1.3
71.45585	0.5
71.56731	1.0
85.02960	1.0
93.03458	4.7
101.02467	0.9
104.85974	0.5
108.02154	1.0
115.05512	3.1
117.07132	0.7
121.02960	7.4
122.03746	15.5
123.00911	0.7
123.04525	1.6
124.01657	1.1
125.02420	1.0
133.02989	1.5
134.03650	0.9
135.04568	1.0
136.01669	5.3
137.02461	3.3
143.05124	0.6
143.89845	0.6
145.02864	0.5
146.03773	1.1
149.01257	1.2
149.02446	22.5
149.06065	1.3
150.03227	100.0
151.00371	1.6
151.03987	8.7
161.06047	1.3
162.03239	0.6
163.71133	0.6
164.04787	4.1
165.01913	1.6
165.05566	98.4
166.02731	4.3
166.05891	5.8
167.03502	1.3
175.04005	0.9
177.05608	1.2
179.07100	5.4
180.04277	7.5
181.05055	6.1
187.04050	5.4
188.04588	0.7
191.03482	0.7
195.06622	72.0
196.07013	4.2
201.35208	0.7
205.04944	1.3
219.06525	0.8
387.14648	4.1
393.88461	0.6
402.13525	0.8
417.15524	7.6
418.16119	0.8
547.31781	0.6
565.20776	12.4
566.21106	2.4
595.21466	1.3
613.22955	3.8
614.22156	0.8
713.26123	1.9
743.26831	1.1
761.27954	1.3
773.28632	0.7
791.30127	0.8
809.29926	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01038	72.5
82.18753	65.0
98.20770	100.0
103.68209	70.7
149.57300	70.8
181.98911	66.5
259.30249	67.5
269.34479	69.9
269.93298	70.0
274.68341	73.5
388.77921	69.8
625.22443	88.9
648.15784	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.1
61.98828	2.9
71.01382	0.7
85.30923	0.8
115.00367	2.2
125.09718	1.9
141.12842	1.0
149.09711	1.0
183.13922	1.6
185.11821	6.3
197.11809	2.5
221.15523	0.7
253.09288	1.5
277.21735	0.9
279.23273	10.2
287.58810	0.7
291.19632	0.8
293.21231	100.0
294.21536	9.6
304.55435	0.7
325.03754	0.7
407.39987	0.7
691.02179	0.6
809.42175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4475
Annotation	Aquilegioside G
Peak:m/z	Relative Intensity
57.03442	1.5
59.01380	23.5
60.99295	1.5
61.98832	29.1
69.03450	1.3
71.01382	27.1
72.99314	2.0
73.02940	6.2
74.84847	1.0
79.30571	0.8
83.01390	4.6
85.02947	12.4
87.00887	3.7
89.02440	11.2
95.01391	3.1
97.02939	1.9
99.00887	3.3
101.02442	18.2
109.02925	1.0
110.86441	1.1
113.02449	11.2
119.03511	2.6
119.05107	0.9
123.00883	2.5
124.01653	5.4
125.02462	13.8
131.03497	1.2
135.04599	0.9
137.02454	1.9
139.62779	1.0
143.03545	1.7
149.02425	1.6
149.99602	7.4
150.03148	4.3
151.00401	1.8
161.04564	3.0
163.03999	1.2
163.06210	1.2
165.05573	4.8
168.00626	12.2
169.01320	1.1
187.04074	1.6
195.06616	2.7
196.07188	1.0
309.07697	1.3
339.12244	1.5
487.34271	15.1
488.34827	3.0
605.49347	1.1
631.39166	2.4
649.39624	10.0
650.39856	1.9
775.33765	4.2
811.33710	6.1
811.45190	100.0
812.45581	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95985	6.8
61.98831	100.0
68.86105	7.2
71.09602	9.8
71.09939	15.9
80.87759	7.2
109.55151	7.4
119.42487	8.2
134.63498	6.8
142.24321	6.9
196.62482	7.4
197.47736	8.0
235.13135	7.4
420.54343	9.3
745.68146	10.2
817.82495	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	813.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
58.00590	1.3
59.01376	16.7
61.98829	27.0
68.99827	1.3
69.03462	9.3
71.01000	1.9
71.01384	29.1
71.56104	1.1
72.99313	1.7
73.02950	9.2
79.01900	4.8
81.03448	2.7
83.01394	5.8
85.02937	13.1
87.00874	2.9
88.98782	2.2
89.02434	6.9
93.03458	5.7
95.01374	6.7
96.96032	3.2
97.02944	7.4
99.00874	4.6
101.02444	17.1
101.34944	1.1
103.03989	1.7
105.01914	1.5
107.01375	11.7
108.02177	42.2
109.02961	23.5
110.03305	1.1
111.00867	1.5
113.02452	12.4
115.00360	1.9
115.03966	0.9
116.92850	4.4
117.82539	1.1
119.03515	1.6
119.84776	1.1
121.02948	5.1
122.03745	1.3
123.00881	3.5
123.04506	3.6
125.02444	12.1
131.05748	1.0
133.02933	1.8
134.06093	1.5
134.99910	1.9
135.00882	28.7
135.04489	1.9
137.02463	8.5
143.03462	3.3
145.02950	1.3
146.03731	2.5
149.02446	2.7
150.03218	3.5
151.00356	3.9
151.04001	2.6
152.01154	41.4
153.01953	34.0
153.05502	1.2
154.02277	1.7
159.02983	2.4
161.04550	16.2
161.05922	1.8
162.03244	1.6
162.04858	1.1
163.04007	1.6
165.01889	4.1
165.05553	3.1
166.02728	8.8
167.03493	100.0
168.03851	3.9
168.44908	1.0
170.32515	1.2
176.01054	1.3
177.00453	1.8
177.01889	15.9
177.05557	1.2
178.02409	2.0
179.03452	1.2
179.05699	2.0
179.07111	4.0
180.04295	1.6
181.05048	1.3
193.05066	2.8
195.06628	4.1
209.04501	1.3
229.03511	3.3
269.10345	10.0
270.10254	1.2
284.03455	1.2
297.02966	1.7
297.06107	21.8
298.06622	1.5
315.07211	55.8
316.07492	3.3
329.08871	6.8
339.07211	23.4
340.07523	3.9
379.13773	2.0
383.06165	23.3
384.06409	2.3
397.03162	1.1
397.07700	24.5
398.07852	3.1
401.07208	4.2
415.16083	51.0
416.16443	6.8
443.12253	1.4
457.17010	3.0
458.53000	1.2
483.15125	17.8
484.15512	1.9
506.18945	1.8
651.41156	1.4
813.24780	4.1
813.45264	1.6
814.26025	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	813.449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.9
58.00584	2.9
59.01383	55.8
61.98830	35.4
69.03484	1.4
71.01382	67.6
71.55363	1.2
72.01720	1.5
72.99310	6.7
73.02947	13.9
75.00867	1.6
83.01383	11.4
85.02953	28.0
86.00067	1.1
87.00854	7.0
88.98805	1.1
89.02447	29.7
95.01381	5.7
97.02951	3.3
99.00874	8.5
100.07375	1.1
101.02452	46.0
111.00879	3.6
113.02455	27.1
115.05541	5.7
117.07061	2.4
119.03500	8.5
121.02900	1.2
123.04544	2.5
125.02428	3.5
129.01935	2.1
131.03482	2.6
133.06509	1.2
143.03465	2.9
150.03152	1.2
157.51764	1.1
159.02954	2.8
161.04555	6.0
161.06075	6.7
163.06178	2.9
168.48982	1.2
175.02496	3.5
179.05652	2.9
187.03951	7.1
205.07123	1.2
256.07452	1.7
271.09805	2.5
290.48318	1.1
327.29193	1.2
471.33478	1.8
473.14658	1.6
489.34320	7.2
498.97913	1.2
633.38898	3.2
634.38055	1.4
648.16150	1.1
651.39777	28.8
652.39661	6.6
667.38812	2.7
775.41974	11.7
776.42889	3.6
777.42542	4.0
813.45203	100.0
814.45776	26.9
844.61603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.0
58.00578	2.4
59.01378	56.5
61.98830	12.6
64.79421	0.8
69.03476	0.9
71.01381	54.2
72.01730	1.2
72.99294	4.7
73.02945	10.8
83.01382	9.5
85.02449	1.2
85.02950	22.1
86.00068	0.9
87.00869	4.1
89.02442	22.8
95.01408	5.4
95.01902	0.9
97.02917	1.1
99.00867	3.7
101.02441	38.8
111.00893	3.8
113.02453	20.0
115.05537	1.7
119.03493	7.3
123.04518	1.8
125.02424	1.9
129.01912	1.4
131.03488	1.3
141.01898	0.9
143.03487	2.7
146.50929	0.8
159.02960	3.1
161.04529	5.4
161.05949	1.4
165.05600	1.1
179.05540	1.6
187.03996	1.8
208.67543	0.9
251.38393	1.0
309.27866	0.9
471.33334	2.3
489.34219	5.3
633.38586	3.3
651.39575	30.3
652.39978	6.4
659.33771	0.9
813.44904	100.0
814.45264	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	813.4643
Annotation	Vina-ginsenoside R25
Peak:m/z	Relative Intensity
57.03447	10.6
59.01374	16.9
61.98827	8.3
62.34357	1.1
71.01006	1.5
71.01382	24.0
72.99314	1.8
73.02950	6.2
74.90273	1.4
81.04066	1.2
82.75007	1.1
83.01385	5.9
84.61610	1.0
85.02946	16.0
86.82315	1.1
87.00895	2.1
88.43641	1.1
89.02435	5.0
95.01338	1.7
99.00909	2.6
101.02437	14.9
113.02438	9.5
115.05513	5.6
117.07127	1.5
119.03499	1.2
124.86916	1.1
129.44502	1.1
133.06572	4.0
138.93021	1.1
150.03252	1.3
160.01602	1.5
161.04526	1.4
161.06070	4.9
162.06456	1.4
165.05545	1.6
187.04031	8.9
193.42003	1.1
195.06677	1.3
207.69958	1.1
211.03928	1.3
269.08215	1.7
289.89703	1.1
464.50226	1.1
489.35553	4.0
633.40015	1.7
651.40991	11.4
652.41132	4.0
813.46368	100.0
814.46613	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	813.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	8.2
59.01384	12.2
60.99305	5.0
61.98834	15.6
64.71723	1.3
71.01045	2.0
71.01388	19.4
71.55544	2.1
73.02936	3.7
73.46111	1.3
83.01383	4.4
85.02948	11.0
87.00840	2.3
88.98814	27.6
89.02431	3.7
95.01384	2.1
95.68494	1.3
101.02448	11.2
113.02418	3.8
161.04594	1.4
161.23827	1.5
161.27852	1.4
163.04063	1.5
178.35400	1.3
191.54076	1.3
305.99249	1.6
339.84576	1.7
391.33633	1.6
504.61420	1.4
565.52765	1.6
598.85138	1.4
651.40985	4.5
668.14563	1.6
711.98914	1.7
813.46460	100.0
814.46783	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	813.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.3
58.00613	2.3
58.90369	1.3
59.01378	41.9
60.56308	1.0
61.85682	1.1
61.98828	36.2
69.03452	2.1
69.24403	12.0
71.01382	54.3
72.01731	1.4
72.99301	4.0
73.02946	10.8
75.00866	1.7
83.01378	6.5
85.02949	25.0
87.00890	3.8
88.98787	1.7
89.02441	28.3
91.05553	2.0
95.01382	4.0
96.96010	2.0
97.02950	1.2
99.00890	6.3
101.02445	34.0
102.02767	1.4
108.02144	6.0
109.02956	3.9
111.00833	1.5
113.02448	21.1
113.06095	1.9
115.00360	1.4
115.05544	9.9
116.92870	1.3
117.03509	1.3
117.07117	2.8
119.03510	9.6
123.04535	1.8
125.02463	2.9
131.03535	1.3
135.04482	1.4
143.03490	4.5
149.02434	1.7
159.02936	2.0
161.04530	7.2
161.06058	4.7
163.03961	5.5
165.05482	1.5
175.02490	1.3
179.05553	4.2
182.33858	1.1
187.04005	17.8
188.04321	1.8
195.06680	1.9
253.07208	2.0
256.07388	1.5
285.63062	1.3
296.20108	1.2
343.26428	2.3
375.29300	1.8
473.14203	2.6
489.35934	1.9
633.39948	1.7
651.40729	6.5
652.41223	1.6
766.54871	1.2
769.82147	1.3
813.46332	100.0
814.46704	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2038
Annotation	Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside
Peak:m/z	Relative Intensity
59.01388	3.1
60.99297	0.7
61.98832	6.4
63.02394	1.0
63.62009	0.4
64.06629	0.3
65.00330	0.9
65.86827	0.3
66.29456	0.4
69.20602	3.5
69.21020	0.8
71.01392	2.3
73.02930	0.4
83.01405	1.8
85.02954	0.9
87.00839	0.5
88.98804	4.7
89.02438	1.7
93.03468	1.0
95.01428	0.6
96.96014	0.6
98.76456	0.4
101.02451	1.2
107.01379	1.2
107.18535	0.4
108.02150	0.5
109.02962	0.5
113.02444	0.7
115.00436	0.4
117.03455	1.1
119.03471	0.5
121.03002	0.6
121.11703	0.4
123.00932	0.6
123.04531	0.7
125.02445	1.0
129.02028	0.3
133.02974	0.7
135.04579	0.7
137.02403	0.7
145.02950	0.7
149.02438	0.5
150.03210	0.9
151.00346	3.7
151.03970	0.5
152.01170	0.4
153.05559	0.8
154.04231	0.4
155.05113	0.4
159.04547	0.4
161.02463	1.5
163.00366	0.6
164.04790	1.0
165.05559	1.1
167.03490	0.5
169.06604	0.5
171.04555	0.7
175.00397	2.5
175.02408	0.9
175.03880	0.7
176.01170	1.0
179.03621	0.4
182.02200	0.4
183.04517	1.6
185.05995	0.7
190.02702	5.5
191.03343	1.8
195.06631	0.8
197.04532	0.7
205.05042	3.9
209.04376	0.4
211.03995	1.6
223.06137	0.5
225.05511	0.5
227.03490	10.3
228.03963	1.1
229.05002	0.9
239.03430	1.0
255.02982	28.5
256.03488	3.0
257.04474	1.1
269.04434	0.4
283.02478	20.3
284.03217	19.1
284.06445	0.5
285.04037	100.0
286.04391	8.6
297.03900	0.5
298.04822	0.8
299.05609	8.8
300.05942	1.0
327.05179	1.2
337.09232	0.7
341.10800	1.0
353.08813	3.8
367.10382	0.8
401.18701	0.4
409.09933	1.1
447.09232	16.1
448.09628	2.1
451.10693	0.6
461.10831	0.5
475.15158	0.4
477.13950	0.6
593.99274	0.4
652.14423	0.5
653.15112	28.6
654.15308	5.2
815.20978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.4
60.99245	0.6
61.98825	3.7
69.03463	1.6
69.53027	4.8
71.01385	3.5
72.99274	1.1
73.02940	1.4
73.89397	0.7
74.61295	0.6
79.01905	0.7
81.03458	1.7
83.01379	1.6
85.02959	1.8
87.00874	1.2
88.98779	3.7
89.02437	2.0
95.01382	1.9
96.96008	0.9
97.03018	1.4
98.50352	0.6
101.02435	2.5
107.01365	0.9
109.02964	1.3
113.02446	1.5
115.05534	0.8
123.00880	5.0
123.04521	0.7
124.01653	12.9
125.02451	51.6
126.02761	1.5
137.02451	2.2
143.03464	0.9
145.02861	0.9
149.02390	0.8
149.68520	0.7
149.99579	26.1
150.03201	0.9
151.00415	3.8
151.01450	0.8
151.04033	0.7
152.01195	0.8
153.01938	0.8
161.04570	1.1
162.03137	0.8
163.04048	0.9
164.04810	0.8
165.01955	0.8
165.05586	1.1
167.03511	2.1
168.00638	58.1
169.01364	6.6
174.85736	0.7
175.02417	1.1
177.01933	0.8
179.03551	1.0
189.72853	0.7
193.01404	1.4
219.97084	0.7
246.64084	0.8
285.04053	1.5
296.26773	0.7
313.05701	9.5
331.06702	100.0
332.06927	6.8
341.10962	1.4
399.05661	24.6
400.06119	2.9
409.10162	1.3
415.16046	1.0
429.61172	0.7
590.58551	0.9
609.14087	0.9
815.07562	0.9
815.22736	15.2
816.22498	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	815.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49170	0.6
58.58730	0.6
59.01379	3.7
61.98830	14.1
63.13990	0.7
71.01380	6.1
71.56326	1.0
72.99314	0.9
73.02959	1.4
81.15847	0.6
83.01394	0.9
85.02969	2.5
87.00893	0.8
88.98814	2.4
89.02470	1.1
93.03492	0.8
95.01398	2.9
96.96017	1.2
97.02989	0.7
99.92577	0.8
101.02454	3.0
108.02186	1.9
109.02979	1.1
111.00858	0.7
113.02468	1.9
115.61347	0.7
116.92874	1.1
117.03445	1.5
119.05037	1.8
120.83833	0.7
121.02984	1.5
123.00893	14.3
123.04568	1.3
124.01677	9.8
125.02456	2.3
132.02176	20.3
133.03011	4.2
134.02719	1.5
134.03734	24.3
135.04536	2.2
137.02484	2.6
138.03238	6.5
139.04045	6.3
140.17339	0.7
145.02975	3.5
146.26860	0.6
149.02380	0.9
149.06100	3.9
150.03226	2.0
151.00395	1.2
153.05612	0.8
160.01663	90.8
161.02406	11.2
165.05568	1.5
166.02670	1.2
175.04002	100.0
176.04343	5.8
177.05507	0.8
178.02699	2.2
179.03491	2.7
181.05055	2.7
188.89604	0.7
190.02667	3.3
191.03484	0.9
193.05061	18.0
194.05334	0.9
195.06627	0.9
205.05006	3.0
210.24971	0.6
217.05002	0.8
223.05981	1.0
271.09775	0.8
285.03961	0.8
287.09006	0.7
323.07632	2.0
331.06622	1.7
337.09293	40.7
338.09732	3.3
367.10306	0.8
414.53998	0.8
447.12863	2.8
463.12497	1.3
477.14014	55.9
478.14343	6.9
556.11963	0.7
609.18109	1.3
621.18909	1.0
639.19342	9.5
640.19659	1.8
815.24036	13.6
816.24371	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.3
61.98836	62.2
71.01384	50.4
73.02950	13.0
83.01379	12.9
85.02956	24.0
87.00885	6.0
88.98776	4.0
89.02454	14.9
94.35422	3.7
99.00886	8.9
101.02440	36.6
113.02454	17.1
115.00382	5.6
115.05507	9.6
122.22433	3.8
125.02456	5.7
127.44222	3.6
137.29900	4.0
151.03920	4.3
161.04514	13.0
161.05998	9.5
174.01651	7.3
175.02461	11.7
187.03987	16.2
198.92554	4.3
211.13371	25.6
241.04608	4.8
256.07242	5.8
332.47452	4.4
396.90771	4.2
618.38397	4.3
779.45734	100.0
780.46191	29.1
815.43622	75.6
816.43762	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	815.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
58.00581	2.6
59.01380	52.6
60.01697	1.5
61.98825	12.7
66.15981	0.6
66.62536	0.7
69.03465	1.3
71.01382	53.2
71.55855	0.7
71.75626	0.7
72.99306	4.6
73.02547	0.9
73.02946	13.3
75.00871	1.1
81.03443	1.0
83.01389	9.8
83.05036	0.7
85.02950	25.6
87.00880	4.5
89.02444	20.7
94.18182	0.6
95.01398	5.1
97.02951	1.6
99.00883	5.3
101.02444	37.5
108.02154	2.1
111.00885	4.9
113.02444	19.2
113.03242	0.8
114.68188	0.8
115.05531	2.2
119.03503	6.5
121.02949	1.1
122.38582	0.7
123.04500	2.4
125.02430	3.7
129.01920	1.2
131.03459	1.9
141.01981	1.1
143.03468	2.6
155.11496	0.7
159.02986	3.2
161.04539	5.7
161.05954	1.2
173.00972	0.7
174.01636	0.7
175.02411	1.0
175.03976	0.6
179.05602	2.9
187.04018	2.2
187.79388	0.7
220.21799	0.6
221.06686	1.0
235.92725	0.6
259.09827	3.1
283.26517	1.3
329.30508	1.7
421.15094	1.1
440.90753	0.7
467.08417	0.7
491.36160	5.2
492.36304	0.8
622.56049	0.7
635.40344	1.7
653.41284	30.5
654.41632	5.9
677.57471	0.7
779.45105	0.9
785.46735	1.5
786.48956	0.9
815.46570	100.0
816.46887	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	815.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90928	5.0
62.29003	5.0
63.96262	6.7
71.01369	8.6
77.59457	4.6
78.98582	8.3
79.95731	15.1
80.96511	100.0
87.00867	6.3
94.98116	24.9
98.19855	13.2
117.21949	5.3
122.97614	5.9
134.97563	6.9
139.23457	5.4
148.99178	9.8
152.98529	5.5
162.59709	5.7
164.98686	11.1
225.00729	15.3
348.86282	6.8
614.95715	6.3
621.08948	5.2
639.72260	6.8
815.49847	78.2
816.50031	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14920	0.4
59.01382	3.6
61.14154	0.4
61.98831	18.4
69.03455	1.0
69.48585	0.9
69.48990	2.4
71.01381	6.8
72.08588	0.5
73.02939	2.0
81.03461	0.5
83.01385	1.0
85.02950	4.9
87.00876	1.2
89.02449	1.4
93.03452	1.4
93.53928	0.4
95.01389	2.7
97.03018	0.5
99.00859	0.6
101.02455	2.9
101.77763	0.5
107.01393	0.8
108.02170	68.7
109.02972	26.3
110.03312	0.7
113.02443	2.3
115.00376	1.4
115.05545	0.7
121.02927	2.1
123.00878	1.7
123.04523	2.0
125.02441	1.7
127.00312	0.5
128.11841	0.5
132.02150	0.7
133.02963	2.6
135.00874	3.4
135.04552	0.6
149.02492	0.5
149.78250	0.4
151.03996	1.7
152.01149	71.1
153.01938	32.6
154.02278	1.8
157.27966	0.5
161.04581	0.9
161.05960	0.4
163.03989	2.6
165.01918	2.6
165.05675	0.5
175.02486	4.0
176.01160	1.5
177.01920	27.3
178.02283	1.1
179.03441	0.4
187.03972	1.0
189.01895	0.6
191.03465	0.7
193.05005	0.6
195.03059	0.6
202.21732	0.4
213.05519	1.4
225.03958	0.7
241.05078	4.4
254.52850	0.5
256.07397	8.5
257.07767	0.9
271.09717	4.4
288.71793	0.5
315.07205	100.0
316.07516	7.2
331.17581	0.6
339.07181	43.5
340.07529	3.6
383.06165	39.6
384.06540	2.3
401.07135	6.4
433.14966	1.2
434.15582	0.5
816.46606	0.9
817.21887	5.4
817.48950	1.4
818.22498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.9
59.01382	20.2
61.98834	50.6
67.12567	1.5
71.01382	27.9
72.99319	1.9
73.02956	3.7
75.00868	1.9
80.96520	2.3
83.01402	4.7
85.02953	6.3
87.00874	36.8
89.02438	4.1
99.00926	3.1
101.02429	7.9
111.00890	5.3
112.98874	2.2
113.02442	5.2
115.00378	55.5
115.05537	8.7
117.07114	2.4
135.04567	1.9
135.43175	1.6
139.00351	2.4
157.01439	4.2
161.06099	4.8
163.04042	2.1
165.05502	1.6
175.02478	100.0
176.02794	3.3
187.03995	7.9
211.13388	13.4
253.09332	1.7
256.07196	2.0
256.44617	1.6
261.15060	1.7
466.22498	1.4
699.36517	3.5
713.38196	2.9
755.38428	3.1
779.45496	4.5
780.45752	1.8
781.46924	8.7
817.44287	9.4
818.45392	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	818.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.1
61.98832	34.9
71.10661	1.3
93.03472	1.4
107.01374	1.1
139.40849	0.5
145.02934	0.8
151.00365	2.2
163.00415	0.8
169.06657	1.0
183.04507	1.3
185.06114	0.6
187.04021	1.0
211.04041	1.7
212.04652	0.7
213.05574	1.2
227.03513	11.8
229.05049	3.2
239.03455	1.5
255.02982	36.0
256.03500	4.2
257.04584	2.0
269.04681	0.8
283.02484	45.0
284.03232	41.5
285.04028	98.7
286.04361	9.0
327.05087	2.1
441.66415	0.6
446.08655	4.4
447.09177	1.6
505.39413	0.6
512.26257	0.7
593.15088	100.0
594.15509	17.0
594.24872	1.1
635.15704	1.0
717.29749	0.6
755.20374	21.9
756.20038	4.8
757.26923	0.6
782.26086	0.6
821.75140	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89353	0.7
59.01357	1.1
61.98832	77.6
62.10751	0.8
65.00324	1.0
69.47139	5.5
69.47482	1.1
78.38677	0.7
83.01385	1.1
87.86622	0.7
99.02773	0.6
101.02473	0.8
107.01391	2.0
113.04745	0.7
132.02155	0.9
135.00958	0.8
135.04483	0.7
151.00352	5.1
163.00391	1.4
178.99857	2.0
183.04482	1.0
184.59933	0.6
185.02614	0.8
187.03998	1.0
211.04027	2.5
227.03484	36.9
228.03917	4.1
229.04987	4.6
230.59064	0.8
239.03516	0.9
255.02983	68.0
256.03513	8.9
257.04456	3.0
283.02383	1.6
284.03262	100.0
285.03922	33.0
286.04443	1.4
327.04810	0.8
755.20367	84.7
756.20654	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	818.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
61.98830	37.6
62.58137	0.5
67.51492	0.6
69.85519	0.5
76.85275	0.4
81.87748	0.4
93.03470	1.1
102.00586	0.5
107.01407	1.0
117.03494	0.6
125.02466	0.6
135.00974	0.6
138.67662	0.5
151.00374	3.1
159.04430	0.8
163.88715	0.5
165.01880	0.5
169.06621	0.9
172.28368	0.5
183.04466	0.8
185.06151	1.0
187.03946	0.7
211.04024	1.6
213.05672	1.2
227.03490	11.5
228.03957	1.2
229.04997	3.0
235.11862	0.6
239.03510	1.3
240.04115	0.7
241.04967	0.9
255.02975	34.1
256.03427	3.7
257.04544	2.7
269.04333	0.6
283.02478	41.7
283.99936	0.7
284.03226	32.4
285.04041	89.6
286.04395	7.0
294.08591	0.6
297.04034	0.7
326.03799	0.5
327.05038	2.4
369.82214	0.6
391.26947	0.5
446.08514	3.8
447.09311	1.9
593.15082	100.0
594.15454	18.9
722.59845	0.6
755.20483	20.4
756.20770	5.4
766.58606	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98829	5.7
65.00322	0.9
67.69758	0.7
69.50778	5.2
76.03144	0.6
83.01392	0.9
98.20581	1.4
101.02466	0.7
107.01400	2.2
108.02145	1.4
114.94485	0.8
121.03033	0.8
123.04492	2.6
125.02425	1.3
137.02460	0.8
142.57396	0.6
148.01643	1.3
150.52267	0.6
150.53558	0.7
151.00394	5.4
163.00351	1.2
167.03470	4.9
168.03987	1.1
178.99835	3.2
187.03990	0.9
189.24588	0.7
191.03563	2.2
191.05460	0.6
199.03970	1.2
226.02728	0.7
227.03464	2.9
243.02968	10.2
244.03830	0.6
254.02124	1.4
255.02966	28.5
256.03394	2.0
271.02469	57.8
272.02875	4.6
284.03284	3.1
285.03812	0.9
299.01965	2.2
300.02734	100.0
301.03198	13.1
597.01624	0.9
695.00623	0.8
755.20404	64.6
756.20691	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	818.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98831	100.0
62.98539	0.2
69.67323	0.4
69.67754	0.4
71.01392	0.3
85.02982	0.2
91.05531	0.2
93.12200	0.1
94.06629	0.5
98.19789	0.2
101.02448	0.2
109.00095	0.2
113.02463	0.2
115.05537	1.1
117.07135	0.4
133.06581	0.6
134.06087	0.3
139.24007	0.1
143.03503	0.1
143.05031	0.2
161.06085	1.4
163.04033	0.2
187.03999	1.6
187.41579	0.1
199.78244	0.1
205.05103	0.2
241.13504	0.3
243.06070	0.1
269.96741	0.1
283.10565	0.1
313.04370	0.1
469.13788	0.2
515.16046	0.4
655.27704	0.2
755.44275	0.2
773.09039	0.1
818.46106	0.2
819.45563	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01379	5.8
60.54081	0.5
65.00313	0.7
68.99814	0.7
69.03455	0.9
71.01385	3.8
72.99297	0.7
73.02921	0.6
80.40780	0.6
80.96069	0.5
81.03464	1.1
83.01390	4.2
85.02953	0.9
87.00883	5.8
89.02448	1.6
93.03473	5.1
95.01400	1.4
95.05016	1.1
97.02957	6.4
98.19861	1.2
98.49259	0.5
101.02429	2.0
105.04292	0.4
107.01414	0.4
108.02184	1.5
109.02943	5.0
111.00856	3.0
113.02441	1.7
115.00375	0.6
117.03481	1.3
119.01379	1.3
119.03477	0.5
119.05030	2.2
120.02144	2.6
121.02960	2.3
122.03793	0.6
123.00909	0.9
123.04517	7.6
124.01662	2.4
125.02464	3.5
129.01964	2.9
133.02971	6.6
134.03766	1.0
135.04515	1.1
137.02451	39.7
138.03160	1.4
139.04004	2.3
143.05051	2.1
145.02945	0.9
146.03697	1.2
147.04532	1.2
149.02484	2.6
151.04012	2.6
153.01889	2.5
157.06580	3.2
159.03070	0.8
159.04518	1.7
160.01666	0.6
161.06055	1.4
163.00398	2.5
164.01154	48.9
165.01926	14.9
166.02438	1.0
167.04962	1.2
169.02885	0.6
169.06618	0.9
171.04527	1.0
173.06146	0.5
175.02489	1.8
175.07663	0.7
177.01920	2.0
179.03531	0.5
180.05791	2.1
181.06616	3.3
183.04453	1.6
184.05276	1.0
185.06065	8.7
186.06693	0.8
187.04024	1.3
187.07681	2.2
188.04538	0.4
189.05515	2.2
191.03683	0.5
197.06094	0.8
199.07668	2.9
201.05490	1.3
203.07137	11.0
205.04980	0.6
205.08586	1.2
208.05307	0.9
209.06081	6.4
211.03922	1.5
211.07715	1.5
212.04793	1.4
213.05516	1.0
224.04726	1.0
225.05547	4.8
226.06030	0.9
227.03535	0.7
227.07137	4.6
228.04277	6.6
229.05054	3.1
229.08649	2.4
239.07094	0.5
240.04248	0.7
241.05070	0.6
241.10579	0.5
243.06587	4.4
253.05061	75.4
254.05385	5.6
255.06584	3.9
257.08151	1.7
269.04614	1.1
270.05286	1.8
271.06113	100.0
272.06488	7.8
273.07693	32.1
273.10052	0.6
274.07947	2.5
325.06796	0.9
416.16992	0.5
433.11389	63.5
434.11801	8.5
451.12299	0.6
476.34494	0.5
542.32892	0.5
756.20581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
61.98832	41.4
71.01383	1.4
85.02972	0.7
85.23813	0.7
88.98827	0.6
89.02406	0.8
94.06625	100.0
95.06960	3.5
98.19925	1.3
101.02476	0.9
104.39557	0.5
106.06644	5.6
115.05500	1.3
117.07189	0.6
120.04504	1.0
122.06142	1.5
132.04570	0.8
133.06609	0.8
134.06126	54.9
135.06493	3.6
144.04562	1.1
148.07683	1.9
150.05603	1.0
158.02496	0.6
160.04062	1.0
161.06111	1.5
162.05551	1.0
172.03983	0.5
174.05679	0.7
187.03990	2.1
190.05113	1.7
205.04967	0.7
209.11995	0.6
210.70294	0.6
211.08818	1.5
212.05820	0.7
213.13992	0.8
215.11852	0.9
223.08763	0.5
225.10246	1.2
239.04568	0.6
239.08232	0.7
239.11902	2.7
241.09581	1.7
241.13457	69.5
242.13803	6.0
251.11852	1.4
253.06183	2.2
253.09698	1.9
255.07782	0.8
255.11507	0.7
265.09940	1.3
266.06906	0.6
267.07779	3.1
267.11417	1.3
268.08499	1.7
279.07724	0.8
280.08566	2.4
281.09293	3.1
283.10880	13.8
284.11218	1.2
293.09280	0.7
295.10831	7.3
296.11423	1.4
297.12329	1.2
298.13052	0.7
299.10260	0.6
309.08951	2.7
309.12125	0.6
321.08789	1.7
341.11386	1.3
371.12241	0.7
388.16785	0.7
390.18259	5.3
391.49179	0.5
402.18185	2.3
406.17758	0.6
416.16095	2.3
448.18619	1.2
519.23883	3.3
521.17529	0.7
535.23120	0.7
537.24835	5.0
563.23053	3.9
581.23999	34.6
582.24371	7.9
595.25659	5.2
596.26056	1.8
607.22034	1.2
613.26648	21.0
614.27106	5.5
625.23083	12.3
626.23389	3.5
639.24854	1.9
655.27759	1.5
657.25574	11.4
658.25763	2.8
667.24298	3.1
668.24091	1.0
699.27014	2.4
743.29388	1.7
775.31604	5.3
776.32294	1.1
787.28650	2.4
788.28741	1.1
819.30756	8.5
819.44464	1.0
820.31152	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	819.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01713	0.9
61.98833	16.9
61.99157	1.0
68.60500	0.6
69.50244	0.7
71.01365	3.6
71.55721	1.4
80.96535	0.7
89.02483	1.9
96.99327	1.0
97.02963	2.4
100.04047	1.1
101.02430	1.5
129.50230	0.8
141.01711	57.6
142.02122	1.7
142.05098	3.8
150.00053	0.7
162.05388	0.7
208.58284	0.7
243.04959	0.7
279.23309	7.1
350.54892	0.7
361.23734	4.0
397.13565	12.9
415.14743	2.1
419.11960	2.9
437.12924	3.3
469.06897	1.3
617.74261	0.7
645.78253	0.9
677.38000	1.1
699.36481	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	821.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	47.1
60.01719	0.6
69.03449	1.0
85.02971	0.8
93.03423	0.6
97.02962	1.0
101.02419	0.6
115.05539	75.1
116.05878	3.8
117.03459	1.8
117.07108	13.4
118.07426	1.0
119.03538	0.8
123.04526	7.6
125.02451	4.2
143.03432	0.7
143.05032	8.1
161.06085	47.8
162.06421	2.9
167.03494	1.3
185.04579	1.2
187.04013	100.0
188.04355	6.4
205.05055	8.7
220.40060	0.5
227.05550	1.1
285.09879	3.0
288.58139	0.4
323.11322	9.0
324.11694	0.8
345.11902	1.6
407.91592	0.4
473.14499	18.9
474.14914	2.6
553.16119	1.0
655.13257	0.5
665.39752	0.5
727.22699	0.5
821.25250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.0
58.00603	0.5
59.01380	80.0
60.01722	1.0
61.98831	35.0
64.49646	0.4
67.01902	0.6
68.99838	0.6
69.03454	1.9
71.01382	30.9
72.99308	0.8
73.02945	8.9
81.03469	3.2
83.01385	4.6
85.02950	27.7
86.03275	0.7
87.00887	1.1
88.98811	1.2
89.02456	1.6
92.05251	0.5
95.01400	3.1
97.02960	6.7
99.00885	1.6
99.04530	2.5
101.02451	8.8
101.15951	0.5
113.02452	29.5
113.55988	0.4
114.02713	0.5
115.05537	65.5
116.05875	3.5
117.03468	1.7
117.07106	9.9
118.07367	0.6
119.03474	0.9
121.45451	0.5
122.06135	0.7
123.04574	2.0
125.02448	9.9
127.03983	0.6
131.03496	0.8
133.06570	0.9
136.07680	5.3
137.02419	0.6
143.03502	43.7
143.04901	5.8
144.03818	1.3
148.07631	0.6
152.03479	0.9
155.03543	2.6
161.06078	35.4
162.06421	1.9
163.04013	0.9
165.05470	0.9
166.68552	0.6
171.10437	0.5
187.04002	100.0
188.04350	6.0
203.05641	1.8
205.05113	1.2
211.13361	2.3
230.00201	0.6
255.11371	1.0
265.06467	0.6
287.09293	0.8
295.10782	0.8
297.12354	1.2
301.11688	0.9
307.10864	0.6
308.95135	0.6
323.10367	1.2
339.13370	0.7
381.10907	0.7
399.33215	0.5
429.13885	0.7
473.14450	1.3
515.15424	1.7
557.16608	3.3
583.25867	1.1
584.44794	0.7
623.24841	1.0
627.24652	3.5
641.26398	2.6
659.27545	5.5
660.27460	1.0
785.29980	1.1
821.24329	0.8
821.46222	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28135	1.5
59.01379	17.4
61.98827	22.0
65.99847	14.2
69.37546	9.2
69.37965	5.9
71.01395	12.1
73.02937	3.1
77.30470	1.5
83.01405	3.2
85.02938	3.3
87.00865	3.2
89.02453	8.0
90.42578	1.8
101.02420	4.9
113.02444	5.4
119.03517	2.1
120.08228	2.6
122.06113	17.1
134.06079	4.1
146.02449	2.4
148.07704	12.8
151.22916	1.5
152.07176	1.9
158.06032	1.8
160.04004	2.3
174.01843	2.3
174.05594	4.3
176.07199	1.8
190.08746	4.6
196.07712	13.4
200.07091	2.3
210.05525	1.9
211.06464	2.0
211.08638	3.1
218.08212	25.4
219.08479	1.6
223.08765	2.2
224.07137	5.6
227.08234	2.8
237.10370	2.0
239.08208	6.3
240.08923	12.3
241.09740	5.2
249.29401	1.6
251.08124	3.7
252.08878	2.4
265.06097	3.1
265.09784	4.6
266.10553	3.5
267.07739	50.9
267.10684	2.7
268.08502	95.4
269.08884	11.2
275.46338	1.7
277.09860	2.1
278.10507	2.1
279.07736	8.8
280.08316	3.1
281.09030	2.1
286.09686	2.0
292.08371	2.5
293.09326	12.8
294.10077	11.4
295.10587	3.5
296.65994	1.6
307.11099	1.9
309.08887	1.7
310.09549	1.5
320.07895	2.1
321.08865	7.1
322.09445	2.5
338.08914	2.7
347.13971	5.4
353.11264	2.7
390.14590	100.0
391.14856	11.8
398.14514	46.6
399.14883	4.8
408.15714	3.0
612.03119	1.8
631.22278	2.1
649.22852	4.0
666.22552	2.3
680.25153	8.7
681.25165	3.1
698.24640	2.7
753.27435	3.2
771.28809	61.9
772.29120	19.4
789.29816	42.3
790.30353	11.8
803.31042	15.2
804.31567	4.1
821.32257	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	823.231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	0.5
59.01379	12.0
61.98827	4.2
65.39787	0.4
67.11907	0.4
67.45731	0.4
69.45272	0.7
69.45679	2.7
70.80273	0.4
71.01384	16.4
72.55537	0.4
72.57940	0.4
72.99308	2.2
73.02949	2.0
83.01381	0.7
85.02961	2.7
87.00877	31.0
88.01282	0.4
88.14636	0.5
89.02453	1.4
93.78091	0.4
99.00872	1.1
101.02446	1.7
106.06637	0.6
112.98824	0.5
113.02449	1.8
115.00374	46.5
115.05515	0.8
116.00712	0.8
122.06115	2.7
127.00369	0.7
134.06110	4.9
152.07169	0.6
157.01471	0.7
175.02472	100.0
176.02809	3.5
187.03983	1.0
190.05092	1.7
203.93350	0.4
207.99805	0.5
221.10904	1.2
223.08815	0.6
224.09145	0.5
225.10225	0.6
239.11952	0.6
241.04941	0.4
243.01474	0.8
249.06784	0.7
249.10236	0.5
251.08417	0.5
251.11972	0.5
256.07458	1.8
263.08374	0.6
263.11813	0.6
264.09103	0.7
265.09692	1.2
271.09662	1.2
277.09647	1.0
279.11380	1.6
291.11450	0.8
300.70886	0.5
305.09448	0.9
337.11884	1.0
342.16058	1.0
412.16785	0.7
472.18652	0.6
524.45874	0.5
621.21796	1.1
632.22858	0.7
664.24994	7.9
665.25562	0.8
755.29279	3.4
756.29871	0.8
787.31818	13.0
788.31824	3.5
823.22186	0.6
853.92139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.1
61.98831	16.1
71.01384	2.0
73.02940	0.6
85.02951	2.9
87.00943	0.7
91.05536	9.9
91.80587	0.5
97.02926	0.6
99.00909	0.7
101.02447	0.6
109.03049	0.6
113.02444	3.2
115.05540	5.3
117.07107	55.3
118.07436	3.1
125.02460	2.2
127.04049	0.8
129.62379	0.6
133.06601	7.2
135.04539	1.0
143.03513	3.3
145.48286	0.6
155.03461	1.6
157.96254	0.5
161.06082	100.0
162.06450	4.9
163.04012	1.8
183.79234	0.5
185.04538	3.8
187.04007	14.3
188.04317	0.9
205.05052	89.9
206.05431	4.3
218.69162	0.7
223.06142	5.7
229.22049	0.6
245.06750	0.8
265.07004	1.5
274.68024	0.6
324.63895	0.6
395.05603	0.7
451.12561	0.8
511.14554	37.2
512.14856	5.2
717.20251	8.8
718.20477	3.2
769.08856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
65.18337	15.8
70.03546	76.9
90.75310	15.2
91.20999	12.6
98.20612	22.4
131.53383	14.8
162.97859	15.8
183.11920	15.1
194.14641	14.2
277.21692	48.8
291.19608	56.1
527.28851	18.9
556.02301	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	825.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.2
59.01381	100.0
60.01716	1.0
61.98832	7.4
68.99781	0.8
69.03444	5.2
69.35060	4.2
69.35486	3.5
70.31694	0.8
71.01382	85.6
72.01717	2.3
72.99294	4.6
73.02942	16.8
75.00873	1.7
81.03434	1.6
83.00912	1.3
83.01389	19.5
85.02952	25.2
87.00879	9.2
89.02444	78.7
90.02776	1.3
95.01379	8.8
97.02941	5.0
99.00878	5.3
101.02444	58.1
103.00391	6.1
103.04002	1.4
111.00874	3.3
111.37032	0.9
113.02445	45.5
116.59399	0.8
119.02646	1.5
119.03499	25.8
123.04519	1.1
125.02460	6.5
127.00358	2.9
127.04021	2.3
129.01927	2.1
131.03494	5.9
135.04436	1.0
139.00433	1.2
141.01929	1.6
143.03511	12.2
149.04530	2.9
155.03432	1.9
157.01389	1.0
159.02966	3.2
161.04561	27.6
162.04930	1.2
163.06206	1.3
167.03413	1.7
169.01517	1.2
169.03145	0.9
175.02486	1.3
179.05594	20.1
187.02357	1.2
199.02486	3.0
203.05534	2.8
205.07210	1.1
221.06662	1.1
229.03557	2.5
231.88399	1.0
236.85040	0.9
245.06570	1.5
247.04527	2.7
269.10284	19.3
270.10498	1.4
271.04608	2.1
305.08792	5.0
319.06607	1.4
323.09781	8.9
341.10870	92.4
342.11267	6.5
365.10760	2.8
379.08847	1.6
379.14005	1.1
383.12091	1.1
409.09854	91.8
410.10300	9.0
415.16061	58.6
416.16418	6.8
457.16809	2.1
483.15079	35.2
484.15341	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	825.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	1.0
71.56356	0.6
80.14159	0.4
93.22342	0.4
99.92583	13.4
100.92627	0.6
114.33135	0.4
114.93420	0.4
116.92862	100.0
117.01938	0.7
117.92874	5.5
146.96623	0.4
148.51866	0.4
185.93533	0.4
435.98019	0.4
590.01270	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	4.7
59.01378	92.4
60.01727	0.9
61.98830	3.2
67.77577	0.5
69.03455	3.3
69.85497	1.7
69.85903	1.2
71.01382	48.9
72.01727	0.7
72.99308	6.9
73.02945	28.1
75.00869	1.5
81.03455	1.1
83.01385	6.8
85.02950	23.8
86.00101	4.4
86.03290	0.7
87.00876	23.2
87.04518	7.5
88.23902	0.5
89.02444	36.0
90.02771	0.9
90.93735	0.5
95.01395	2.1
97.02960	1.1
99.00888	2.3
99.04519	1.3
101.02444	58.1
102.02795	0.9
103.04014	23.1
109.02912	0.8
113.02453	14.7
114.02783	0.7
115.04021	8.6
119.03503	25.0
120.17997	0.5
125.02436	1.6
127.04018	2.9
129.10277	0.7
131.03511	17.1
143.03500	20.7
145.05083	9.2
159.02905	0.6
161.04568	4.6
163.06123	100.0
164.06334	2.6
179.05586	1.3
191.05727	0.5
205.07167	45.3
206.07655	1.5
229.00684	0.5
247.08224	42.9
248.08603	2.3
265.04160	0.5
265.09265	1.1
269.10187	0.5
271.02704	0.6
277.15604	0.6
295.10400	0.7
300.02695	0.7
301.03656	0.7
307.10532	3.2
325.11453	1.9
341.10855	2.1
409.09940	2.8
415.16168	2.0
423.18875	0.8
431.38263	0.5
448.06543	0.5
483.15060	1.9
499.25528	7.8
500.25735	1.5
625.14276	0.9
640.34772	0.6
695.23840	0.6
825.37866	4.3
826.38721	1.1
857.12488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.0
59.01379	100.0
60.01713	0.9
61.98837	2.6
68.16528	0.3
69.03465	1.0
69.59463	2.5
71.01382	26.2
72.01717	0.4
72.99321	1.6
73.02948	30.3
74.03291	0.4
75.00905	0.9
81.03456	0.3
83.01386	8.2
85.02950	4.7
85.41234	0.4
87.00899	1.1
89.02443	11.2
93.07444	0.4
93.45362	0.3
94.34146	0.4
95.01405	1.4
99.00896	0.6
101.02442	33.0
102.02816	0.5
112.39185	0.4
113.02449	11.7
119.03505	4.8
125.02481	1.5
131.03482	3.4
135.04543	1.2
137.21536	0.3
143.03510	3.5
149.04550	7.6
155.03523	1.1
161.04558	13.4
179.03525	1.4
179.05673	1.1
180.03908	0.6
195.52919	0.3
203.05632	1.8
221.06657	4.2
227.03621	0.7
255.03058	1.4
261.13556	0.7
283.02573	1.2
284.03342	0.7
285.04062	2.1
294.20358	0.4
303.14624	1.6
307.08658	0.4
331.17801	1.4
397.08203	0.4
477.23438	10.8
477.29953	0.6
478.24100	1.6
589.08142	0.4
593.14801	3.0
605.36383	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
60.80463	14.4
61.98829	100.0
62.58383	15.2
70.62500	23.7
70.62849	34.3
79.04190	13.5
95.09858	14.8
103.31070	15.3
128.78447	16.4
141.39693	14.2
176.93544	15.8
183.43593	13.3
277.21652	45.7
293.21204	40.8
308.75781	15.8
377.69754	15.1
588.68866	17.3
771.38824	17.9
796.28528	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	826.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45354	0.1
59.01374	0.2
61.98831	100.0
62.98529	0.2
66.00878	0.1
70.41251	0.2
70.41619	0.2
71.01388	0.2
74.44098	0.1
78.71425	0.1
81.79593	0.1
83.44887	0.1
89.08872	0.1
92.23354	0.1
115.05512	0.2
187.04027	0.2
326.82169	0.1
727.94476	0.1
766.48071	0.3
826.46228	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.1
59.01382	37.4
61.98838	4.9
68.99829	0.9
69.92614	3.7
71.01388	11.7
71.33040	0.6
72.99310	1.9
73.02952	4.0
83.01390	2.7
85.02944	7.2
88.98830	1.2
89.02448	6.0
95.01394	6.6
97.02968	0.9
99.00870	1.8
101.02444	7.0
103.04003	4.0
111.00916	0.8
113.02451	3.9
116.92863	2.6
119.03509	2.5
123.04404	0.8
125.02431	3.4
127.00385	4.4
139.00381	6.3
143.03528	0.8
151.00369	2.8
157.01454	1.0
161.06123	1.8
163.06143	1.7
169.01370	1.8
169.20004	0.8
179.07112	1.0
180.70105	0.7
187.04027	1.3
196.63495	0.7
213.05591	12.2
229.03447	1.2
241.05061	39.1
242.05406	3.2
255.06638	11.3
256.07416	100.0
257.07755	7.4
269.08133	1.0
270.09006	3.2
271.09753	84.0
272.10086	7.3
313.10724	0.9
328.32919	0.7
337.53415	0.8
379.12125	0.9
384.52646	0.7
415.14102	2.5
433.14822	1.5
475.16162	5.9
476.16730	0.9
532.51270	0.8
561.19800	3.9
579.20795	33.1
580.21259	6.9
601.73059	1.1
621.21875	65.4
622.22253	11.8
631.22961	1.0
647.20258	2.9
675.23462	1.1
689.20734	14.9
690.21240	2.5
719.22089	1.7
827.43451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	5.1
59.01380	100.0
60.01707	1.0
61.98846	4.0
71.01383	68.3
71.22733	1.8
72.01719	1.1
72.99301	5.7
73.02953	5.3
83.01402	3.5
85.02948	16.9
87.00876	4.7
87.04501	1.3
89.02446	71.2
95.01418	4.5
96.95874	0.7
97.02940	1.0
99.00913	1.5
101.02448	35.1
103.04021	1.8
108.02176	3.7
112.54005	0.8
113.02453	27.0
113.03246	1.4
119.03504	22.6
121.02971	1.7
123.04538	3.5
125.02402	0.9
127.03897	1.0
131.03499	2.1
143.03497	5.7
145.02989	1.1
149.04520	1.1
159.04536	1.3
160.05438	1.1
161.02510	1.1
161.04546	6.7
163.06194	1.5
164.90462	0.8
167.03566	0.8
175.03951	1.0
179.05603	25.3
179.07196	1.3
180.06100	1.0
187.03996	1.2
188.04802	2.4
197.79190	0.9
200.44753	0.8
203.07114	4.9
204.07709	0.9
205.07162	2.3
205.08746	2.7
233.06194	1.3
235.07608	1.1
237.05832	1.0
251.07137	3.0
253.05075	1.2
255.03073	1.3
261.05597	2.8
262.06116	1.2
263.07114	2.6
265.04880	1.1
266.06342	1.1
268.07141	0.9
269.08139	4.1
271.09668	1.0
278.05655	0.8
278.09369	2.1
279.06665	8.9
280.07169	1.1
281.08173	5.4
283.02356	1.5
283.09790	2.2
284.03470	1.1
285.04016	3.3
292.07397	1.1
293.08206	2.4
294.08957	5.7
295.09665	2.1
296.10522	3.3
297.07675	4.1
297.10605	1.0
299.60254	1.0
306.08670	1.2
307.10098	1.6
308.10532	3.5
309.07678	11.6
309.11346	14.2
310.08160	1.4
310.11511	1.0
311.12833	4.5
312.09979	5.5
312.13107	1.1
321.11252	1.7
323.09421	1.8
323.12863	4.4
324.09970	19.6
324.13541	1.4
325.10422	1.8
327.12366	20.2
328.12622	2.5
339.12357	68.9
340.12708	6.0
341.14008	1.9
357.13321	1.6
411.14716	1.8
415.16013	0.9
437.09113	0.9
441.15799	1.2
445.56329	0.9
486.15244	1.9
489.17767	6.8
490.17853	1.8
501.17654	84.4
502.17902	12.9
503.19016	1.5
519.18829	5.8
520.19019	1.2
593.15161	4.4
647.23444	15.9
648.23987	2.5
665.24402	10.0
666.25055	1.3
809.28113	6.0
810.29504	1.9
827.29559	13.7
828.30389	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	827.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75341	0.7
59.01387	4.4
61.98838	9.2
66.72516	0.7
69.37709	1.1
69.38104	6.7
71.01375	2.8
80.91668	1.5
83.01375	2.9
85.02982	1.0
89.02425	1.8
93.03458	2.8
108.02125	0.9
113.02419	1.0
116.31700	0.8
117.03464	1.4
119.05022	0.9
121.02927	3.5
121.38837	0.8
122.03755	5.8
123.04520	1.6
134.03734	1.3
135.04590	4.1
136.01677	1.7
137.02443	10.5
138.03256	1.0
145.02959	5.6
146.03741	61.0
147.04388	3.2
148.05150	0.9
149.02441	18.6
149.06082	1.5
150.03229	40.1
151.00397	1.2
151.03900	3.6
153.05675	1.3
161.06079	15.6
162.03218	1.0
163.04012	3.6
163.07675	1.2
164.01146	1.4
164.04797	42.7
165.01932	61.2
165.05563	51.2
166.02602	5.4
166.05931	1.8
175.03949	1.4
177.01855	1.6
177.05527	1.8
179.03554	15.9
179.07130	62.3
180.01913	0.9
180.04286	37.9
180.07506	2.4
181.05049	7.0
194.05840	4.6
195.06625	100.0
196.07013	5.7
205.05106	2.6
207.06625	0.8
210.05295	4.2
211.05968	1.0
225.07664	26.1
226.08054	1.7
239.07091	1.2
245.06497	1.0
253.05089	0.9
283.06067	1.0
283.10031	0.8
295.88522	0.9
297.07535	1.2
299.09229	3.9
300.09787	1.6
327.08710	10.9
328.09158	0.9
337.91589	0.8
342.11130	7.9
343.11987	4.7
344.08438	0.8
357.13397	23.5
358.13733	3.5
373.12906	36.7
374.13181	4.2
387.14395	1.9
403.13849	7.9
404.14307	0.9
405.15506	2.6
421.15042	26.4
422.15201	4.5
451.15866	5.2
452.16528	1.1
453.41739	0.9
599.21399	10.4
600.21997	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	827.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.2
60.98675	0.6
61.98520	1.0
61.98829	11.8
67.01867	0.8
71.01403	2.8
71.56503	0.6
73.02931	0.6
74.62296	0.6
80.16772	0.6
80.91688	2.0
83.01381	3.6
85.02934	1.5
87.00893	0.6
89.02445	1.6
93.03448	1.7
95.01410	0.6
96.96008	1.8
98.45991	0.6
101.02436	2.3
108.02176	1.0
109.02958	1.7
113.02458	1.5
117.03444	1.4
117.05385	0.5
119.05009	1.2
121.02958	3.6
122.03754	6.1
123.00810	0.9
123.04514	0.7
124.01649	0.7
125.02442	1.0
132.02081	0.7
133.02919	1.8
134.03711	1.1
135.04544	3.0
136.01651	2.8
137.02437	11.2
145.02956	5.3
146.03735	58.0
147.00833	0.8
147.04507	4.0
148.01718	0.7
148.05255	0.7
149.02443	17.4
149.06099	1.0
150.03221	40.5
151.00391	1.0
151.03841	3.0
152.11862	0.6
153.05533	0.7
160.01633	1.2
161.06075	13.9
162.03171	0.9
162.06401	0.7
163.04034	3.5
163.07646	0.6
164.01102	2.2
164.04794	42.9
165.01930	57.8
165.05565	50.4
166.02675	4.6
166.05910	2.4
167.03452	0.7
175.03981	1.6
177.01855	0.8
177.05606	1.2
178.02667	0.7
179.03537	16.2
179.07130	60.3
180.04282	38.0
180.07483	3.4
181.05009	7.1
191.03535	0.8
193.05074	1.1
194.05795	4.0
195.02904	2.5
195.06618	100.0
196.06935	5.7
205.05005	3.0
207.06575	1.2
210.05309	4.8
211.06021	1.7
212.67065	0.7
225.05408	1.2
225.07672	24.8
226.06203	0.6
226.08052	1.3
227.85828	0.6
241.08751	0.8
245.06764	1.0
282.05219	0.9
283.06091	1.1
297.07666	0.9
299.09283	3.5
300.09848	1.0
307.08371	1.0
327.08731	10.2
327.12268	1.5
328.09192	1.8
337.09537	0.6
342.11057	7.8
343.11716	5.5
357.13428	23.6
358.13800	2.4
373.12903	34.6
374.13199	4.1
387.14417	1.2
403.13870	6.6
404.14288	1.0
405.15613	2.0
421.15021	27.7
422.15540	3.3
451.16257	4.5
452.16165	1.0
542.32513	0.6
565.20868	0.8
599.21228	10.1
600.21875	1.6
647.24152	1.1
665.22968	1.0
827.27850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.2
61.98830	100.0
67.09678	0.2
70.33157	0.6
156.41685	0.2
184.45767	0.2
194.44214	0.2
304.13409	0.2
782.49365	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.5
60.99306	18.9
61.98815	1.4
71.32942	0.7
85.52927	0.4
88.98802	100.0
89.99145	0.9
108.02217	0.5
130.25079	0.4
151.00372	0.7
163.00471	0.5
173.55414	0.4
181.22101	0.4
227.03474	7.6
228.03873	0.6
250.64334	0.4
255.02966	12.6
256.03485	2.2
257.04507	0.4
283.02689	0.5
284.03241	20.0
285.03870	4.2
316.79480	0.5
414.01529	0.4
620.66016	0.5
673.97461	0.5
739.07574	1.0
739.20892	22.4
740.21002	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	831.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	1.0
59.01382	29.8
59.83632	0.7
61.98831	25.7
62.96573	0.8
69.03449	1.6
71.01384	72.7
72.99314	1.9
73.02946	21.9
75.00867	1.2
81.03473	1.5
83.01380	9.1
85.02952	35.7
86.03302	1.0
87.00867	4.8
87.04526	1.1
88.98811	1.4
89.02444	11.4
89.02946	1.3
95.01392	5.6
97.02945	2.9
98.10970	0.7
99.00891	9.5
101.02444	39.4
103.04021	2.5
109.02945	0.9
111.00897	1.8
113.02446	31.7
115.03979	1.0
119.03502	3.0
119.05019	1.0
123.00896	15.1
123.04501	1.4
124.01662	39.3
125.02433	3.0
127.04047	1.8
129.01920	1.3
131.03496	2.0
138.03223	3.3
139.00401	1.3
139.04007	29.2
140.04385	1.1
143.03531	5.2
150.03241	1.3
159.02991	6.1
161.04562	39.2
162.04951	1.6
163.03925	1.2
165.05518	1.1
205.07211	0.8
229.03662	1.3
239.59677	0.9
240.94711	0.8
271.09781	0.8
289.09268	1.6
301.09317	15.9
311.05731	1.1
315.18112	10.9
343.10236	1.4
369.08228	36.0
370.08557	3.8
421.43033	0.8
423.55515	0.8
425.21707	2.1
461.23926	100.0
462.24365	10.8
503.24615	1.0
529.22876	29.4
530.23401	4.5
654.10254	0.9
831.46790	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	831.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.8
59.01379	30.9
59.11855	0.5
59.71344	0.5
60.87488	0.5
60.99295	2.1
61.98830	37.4
69.03450	2.3
70.42062	0.5
71.01383	72.3
71.10078	0.5
72.01708	0.8
72.99305	2.5
73.02950	23.0
75.00859	1.3
81.03434	0.8
82.02946	0.5
83.01389	10.3
85.02953	37.4
86.03275	0.9
87.00874	5.1
88.98810	7.1
89.02443	11.5
95.01387	7.0
96.64152	0.6
96.96003	1.0
97.02940	3.2
98.19747	1.0
99.00883	10.7
99.04526	0.6
101.02443	40.1
102.02767	1.0
103.04008	1.7
109.02960	1.3
111.00836	1.1
113.02450	34.3
114.02768	1.0
115.03970	0.8
115.05483	0.8
116.92858	0.7
119.03488	3.0
119.04978	0.9
121.02960	1.1
123.00894	7.6
123.04528	2.5
124.01660	37.8
125.02544	3.4
127.04021	1.3
129.01924	1.3
131.03545	1.9
137.02443	1.0
138.03244	1.8
139.00385	1.3
139.04010	25.2
143.03523	6.5
145.05003	0.6
150.03201	0.8
159.02982	6.9
160.72839	0.5
161.04561	40.9
162.04913	1.6
163.03993	1.1
165.05521	1.1
167.03455	1.1
174.01892	0.6
175.02444	1.5
179.05641	0.9
187.02521	0.6
187.03944	1.2
190.02708	0.6
205.03484	1.6
229.21484	0.7
235.05969	0.7
238.16716	0.6
241.05058	0.9
256.07401	1.7
271.09854	2.7
289.09418	2.9
301.09265	16.3
302.09525	1.2
315.18134	10.3
316.18484	1.0
339.07190	1.4
369.08231	41.1
370.08542	3.8
425.21689	1.5
433.15210	2.0
461.23914	100.0
462.24295	12.8
491.25064	1.4
501.13437	0.9
503.24899	1.9
507.11072	0.7
529.22919	35.0
530.23285	4.6
669.41675	1.0
831.46747	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	833.215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
61.95033	0.3
61.98829	20.5
69.03458	2.2
71.01382	2.5
71.55219	0.6
72.99329	0.4
73.02939	0.7
79.01905	0.6
81.03446	1.0
83.01389	1.5
85.02946	1.5
87.00883	1.3
88.98823	1.3
89.02434	0.9
95.01373	1.8
97.02947	2.4
99.00896	0.3
101.02448	1.4
102.79189	0.4
107.01398	1.1
108.02190	0.5
109.02969	1.0
113.02450	1.2
114.60601	0.3
115.00350	0.9
115.05533	0.6
116.02168	0.3
116.92867	0.6
119.03510	0.5
121.02969	0.5
123.00888	4.9
123.04521	0.6
124.01665	12.3
125.02447	46.9
126.02736	1.9
137.02435	1.7
149.02377	0.6
149.99580	24.2
151.00375	2.4
152.00664	0.3
159.62469	0.3
161.06116	0.6
165.01884	0.5
165.05554	0.4
167.03477	2.0
168.00635	55.1
169.01395	5.9
175.02522	1.7
175.03819	0.3
179.03577	0.4
179.05589	0.4
181.01369	0.5
187.04027	1.1
191.03452	0.4
192.00667	0.7
193.01399	0.9
213.05591	0.9
222.89272	0.4
235.34734	0.3
241.05070	2.3
256.07404	4.4
257.07828	0.7
271.09665	2.3
282.47427	0.3
313.05640	8.2
331.06686	100.0
332.07040	7.0
332.11014	0.4
355.06699	0.5
399.05664	20.7
400.06049	1.9
487.17947	0.4
488.58411	0.4
541.08466	0.4
649.62122	0.4
717.10797	0.4
797.46655	0.8
833.21417	9.8
833.45709	1.3
834.21362	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	833.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	23.5
61.98833	100.0
63.99250	1.4
66.92872	1.0
71.01381	19.0
72.99299	2.1
73.02944	4.9
75.00875	3.7
76.06908	1.0
83.01404	2.5
85.02946	9.0
87.00864	2.5
89.02448	9.8
95.01379	2.0
97.02969	1.2
99.00880	2.7
101.02452	15.6
103.48178	1.2
113.02442	7.1
115.00364	3.4
115.05540	22.4
116.05878	1.5
117.03438	2.7
117.07115	3.9
119.03493	4.7
123.04507	3.5
125.02444	2.3
133.06566	3.1
135.04504	1.2
143.03497	1.9
143.05028	2.5
159.02888	1.3
161.04611	3.0
161.06076	12.9
163.03976	3.2
171.10266	1.2
175.02444	5.3
177.05409	1.3
181.03534	1.3
187.04001	34.2
188.04346	3.7
197.11833	2.8
205.05054	1.6
211.13358	4.9
227.53835	1.1
229.72292	1.5
283.06134	7.0
284.06393	1.4
311.05643	9.9
312.05777	3.1
331.60138	1.2
341.06638	3.8
413.08676	1.5
431.09818	6.7
473.15063	10.0
474.14828	2.5
489.34857	1.7
548.93768	1.1
635.39813	1.7
651.39819	3.8
652.39868	1.7
715.35681	3.3
797.45471	77.6
798.45752	20.2
833.43884	11.9
834.43420	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	833.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.3
61.98830	100.0
67.22159	1.4
69.35177	11.7
71.01378	16.2
72.01723	1.9
73.01819	1.3
73.02928	3.2
75.75867	1.3
83.01379	3.1
85.02960	8.4
87.00875	4.3
88.98779	2.9
89.02437	5.4
95.01374	2.0
98.20677	3.0
101.02433	10.1
103.02882	1.5
113.02444	6.9
115.00399	3.2
115.05465	1.8
116.92825	1.8
119.05016	2.8
121.02956	2.6
124.01658	2.8
125.02435	4.0
137.02477	2.3
139.04012	2.5
142.86043	1.5
143.03513	2.0
143.04970	1.3
145.02867	1.6
153.87892	1.3
161.02452	1.7
161.04562	5.9
161.05914	1.2
165.05522	3.5
175.02426	3.3
179.75655	1.4
187.03978	4.0
211.13316	1.7
224.14684	1.4
256.07440	2.8
256.46155	1.5
257.04755	2.0
271.05942	1.6
271.09760	2.2
339.39346	1.4
370.08466	1.9
461.23792	5.0
462.24173	5.7
463.24493	3.7
531.23419	2.1
583.57178	2.0
797.45483	2.9
833.44824	37.9
834.45331	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	833.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98860	0.4
59.01379	18.7
61.98824	2.4
64.41879	0.5
67.97403	0.5
71.01359	1.2
71.54971	0.5
71.55334	0.9
73.02941	0.7
81.47970	0.6
89.02456	0.7
113.02473	0.5
121.12977	0.5
168.97159	0.6
235.08185	0.9
253.09288	4.0
277.21704	100.0
278.19000	0.8
278.22040	11.3
301.23425	0.5
373.57352	0.6
397.13806	0.6
446.89523	0.5
584.45398	0.7
669.40308	0.6
786.59271	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.4
61.98830	6.1
71.01375	1.5
71.41862	0.2
73.02955	0.2
78.95890	0.2
80.37518	0.2
83.01390	0.3
85.02935	0.3
87.67121	0.2
89.02446	1.0
101.02444	1.3
113.02438	0.5
119.03456	0.4
161.04515	0.5
179.05598	0.2
182.42703	0.2
233.22647	0.3
235.08255	1.5
235.77864	0.2
253.09270	4.6
259.20468	0.4
275.20178	0.3
277.21707	100.0
278.22049	9.9
373.26224	0.3
510.57950	0.3
513.30597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.9
65.00330	1.1
69.28554	8.2
86.12948	1.0
91.04829	0.8
102.86430	0.8
107.01385	1.7
109.02969	1.2
151.00391	8.4
163.04041	1.0
178.99866	2.5
199.04028	1.6
213.80133	1.0
227.03485	3.0
230.07224	1.0
243.02959	5.2
255.03159	4.3
256.03445	1.0
271.02466	58.2
272.02820	3.5
285.04062	1.0
299.01956	100.0
300.02655	37.9
301.03516	47.0
302.03848	4.2
347.04507	0.9
462.07999	19.3
463.08640	3.8
609.14508	24.2
610.14618	3.7
689.29114	1.3
771.19873	91.7
772.20172	21.5
780.15106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.3
61.98831	22.6
70.45557	0.9
70.45905	2.2
71.01376	6.9
71.92587	0.7
72.99329	0.9
73.02936	1.8
75.00890	1.3
80.09470	0.7
81.53732	0.7
83.01371	1.1
83.05013	1.1
85.02957	2.6
87.00890	1.6
88.44836	0.7
89.02457	3.2
91.05524	1.1
94.06623	100.0
95.06957	3.4
97.02925	0.8
101.02446	3.0
102.65973	0.7
103.95229	0.7
106.06641	5.8
106.07302	1.0
112.00018	0.8
112.86909	0.7
113.02451	2.4
115.00430	1.1
115.05538	3.5
117.07112	4.9
120.08276	0.7
122.06088	1.1
125.02422	0.9
133.06537	1.8
134.06122	57.4
135.02986	3.8
135.06418	2.2
143.03522	1.2
146.06087	0.7
147.03236	1.5
148.04016	1.1
148.07677	2.3
160.04095	3.6
161.04707	1.4
161.06081	5.8
163.04001	1.2
175.02441	1.7
176.03551	0.9
177.04231	1.0
187.03999	7.2
197.76730	0.6
205.05109	4.7
205.06783	0.9
211.08748	2.3
215.11909	1.6
223.06110	1.0
224.10942	1.0
225.10368	2.2
226.11070	1.3
227.08273	1.6
227.11911	0.9
238.07619	0.8
239.08189	1.3
239.11870	0.9
240.05435	0.9
240.08986	1.0
241.09952	4.2
241.13457	67.8
242.13780	4.9
243.07703	1.0
253.09804	2.4
254.06985	1.9
254.10721	0.8
255.07777	2.2
255.11385	2.7
256.08206	1.2
265.09854	1.9
266.06979	1.1
267.07687	1.2
267.11328	1.7
268.08682	1.2
269.09253	6.3
271.07217	0.9
279.07800	1.0
281.09216	4.1
282.09955	0.8
283.07248	1.8
283.10910	2.6
284.07571	1.1
293.09280	2.7
294.10056	1.1
297.08792	2.2
299.10342	2.1
311.10410	1.3
313.11813	1.4
315.09882	1.3
341.08575	1.1
348.17084	0.8
369.11148	0.8
375.11926	1.7
376.16803	2.1
387.12106	1.1
388.16553	1.2
398.71973	0.7
400.16653	1.1
419.96533	0.7
460.19397	0.7
473.14227	1.0
482.19858	0.9
523.23376	4.5
524.23193	0.9
579.22198	0.9
611.25275	11.0
612.25549	1.3
629.26123	48.1
630.26544	12.2
655.24048	2.1
671.27521	2.3
673.25043	15.8
674.25238	2.3
715.26410	5.7
716.26343	1.4
757.43311	1.2
791.31476	14.5
792.31720	4.2
797.45642	7.4
798.45636	3.3
799.47070	7.1
835.30701	13.2
835.45911	4.4
836.30920	4.4
836.44781	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01712	1.4
61.55511	0.2
61.98837	3.9
71.01385	9.9
71.37893	0.2
73.02953	3.6
83.01391	1.6
85.02954	4.8
87.00921	0.5
88.98819	1.2
88.99878	0.2
89.02438	1.2
95.01384	0.7
99.00877	1.3
101.02446	6.0
104.07445	0.2
113.02454	3.6
119.03507	0.3
125.02495	0.3
143.03532	0.5
149.04611	0.4
159.03024	0.9
161.04556	4.5
305.18933	0.3
309.01471	0.2
331.17633	9.2
332.18143	0.8
335.79147	0.3
373.18695	4.3
374.18942	0.6
380.96741	0.3
562.28583	0.3
774.82764	0.3
790.43604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01706	1.3
61.98837	0.8
67.73969	0.2
69.03490	0.3
69.42639	1.3
71.01384	9.7
72.99323	0.2
73.02947	4.8
75.00859	0.2
83.01383	1.7
85.02956	5.3
87.00896	0.5
88.98818	0.2
89.02444	1.1
93.37540	0.2
95.01402	0.9
97.02955	0.3
99.00888	1.2
101.02446	9.0
101.57085	0.2
113.02449	4.6
119.03473	0.2
125.02447	0.4
126.95483	0.2
131.03496	0.2
143.03549	0.5
149.04611	0.4
159.03046	1.0
161.04550	5.3
162.04887	0.2
169.12305	0.2
203.05713	0.2
301.08997	0.2
313.16644	0.5
331.17606	11.7
332.17969	0.9
373.18661	11.1
374.19168	1.0
417.17514	0.3
560.47058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01728	0.8
61.98828	4.3
70.17021	0.3
71.01382	8.8
73.02945	2.0
81.62121	0.3
82.03918	0.3
83.01390	0.9
85.02943	3.7
87.00871	0.6
88.98799	1.8
89.02451	1.0
95.01396	0.7
97.02969	0.6
99.00906	0.9
101.02438	4.8
113.02422	3.1
119.03542	0.4
137.02383	0.5
148.16222	0.3
150.03261	0.4
159.02979	0.7
161.04532	3.2
165.01959	0.4
165.05630	0.4
195.06700	0.4
211.46941	0.3
253.04936	0.3
269.85602	0.3
273.07892	0.4
331.17584	6.2
332.18027	0.5
373.18600	5.2
417.24771	1.9
640.12665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19757	0.8
59.01382	26.5
60.30964	0.9
61.98828	19.7
69.88679	0.7
70.87460	1.4
70.87804	1.7
71.01385	2.0
75.01472	0.8
89.02453	1.6
94.98940	1.0
101.02452	2.0
113.02471	1.2
140.22554	0.8
141.97992	0.9
144.64806	0.8
161.04643	1.1
169.73912	0.8
235.08168	2.8
253.09283	7.3
277.21710	72.1
278.22134	5.8
279.23282	100.0
280.23584	9.2
538.50995	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26740	0.2
59.01386	1.1
61.98832	100.0
62.98559	0.2
69.03457	0.2
71.01393	1.2
83.01430	0.3
85.02961	0.4
87.00874	0.3
95.01403	0.3
101.02476	0.6
108.02193	0.4
109.02962	1.1
113.02459	0.7
117.07105	0.4
125.02469	0.4
143.03494	0.2
150.03270	0.5
151.07556	0.2
153.05606	0.3
161.04597	0.7
161.06104	0.9
161.81358	0.2
165.05635	0.3
166.02705	0.2
175.02490	0.4
192.04248	0.3
195.06642	0.3
196.05870	0.2
201.98453	0.2
205.05054	0.6
207.06676	0.3
208.03709	0.4
213.05568	1.2
223.05954	0.5
229.03557	0.4
230.50023	0.2
241.05057	5.5
242.05515	0.4
255.06721	0.3
256.07410	15.2
257.07895	0.7
271.09772	19.5
272.10031	1.7
313.09421	0.5
339.07117	1.1
433.15030	21.3
434.15302	2.0
501.13806	2.3
502.14359	0.2
773.23480	0.8
799.49933	0.3
800.49951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75869	0.2
61.98830	100.0
70.04538	0.2
103.81493	0.2
157.31531	0.2
163.95094	0.2
309.59396	0.2
350.42416	0.2
651.00244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73201	0.1
61.98832	100.0
62.98528	0.2
67.71503	0.1
70.29403	0.4
77.17391	0.1
115.03040	0.1
154.74252	0.1
189.93918	0.1
197.03328	0.1
200.43933	0.1
209.16112	0.1
239.84888	0.1
247.69049	0.1
541.15430	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36057	1.4
59.01380	34.8
61.98829	34.6
69.03406	1.5
71.01379	24.1
71.55608	1.5
72.99302	1.4
73.02940	7.4
83.01376	3.0
85.02947	15.5
87.00875	2.2
89.02471	8.8
91.05534	9.9
94.06626	1.8
94.96770	1.2
95.01371	1.8
97.02934	2.8
101.02449	13.2
113.02457	19.5
115.05534	20.6
116.05843	1.5
117.03445	1.5
117.07103	57.6
118.07471	3.1
119.03473	2.9
119.73769	1.2
123.04507	1.3
125.02413	4.7
133.06622	7.2
135.04543	1.9
143.03500	29.9
143.05014	2.5
155.03445	2.7
161.06079	100.0
162.06390	5.8
163.04031	7.7
179.05641	3.1
187.04005	65.9
188.04430	3.1
194.09021	1.3
203.05566	5.9
205.05048	69.8
206.05370	3.3
212.75812	1.8
223.06139	5.7
284.67499	1.2
303.61212	1.2
342.68149	1.5
394.31146	1.5
399.24225	1.2
444.28146	1.3
469.13538	24.2
470.13516	3.4
675.19336	16.5
676.19519	3.3
799.46893	17.8
800.47388	11.2
801.47168	9.1
836.45837	1.8
837.25659	2.9
837.44763	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	837.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.3
61.98830	100.0
70.83896	0.5
71.01382	3.2
72.99305	0.3
73.02946	0.7
83.01411	0.3
85.02964	2.4
87.00898	0.4
88.98850	0.3
89.02446	1.3
91.05532	1.8
94.06638	0.3
95.01395	0.3
96.96069	0.2
97.02947	0.3
99.04530	0.4
101.02448	0.9
108.02192	0.4
109.02959	0.3
109.65033	0.2
113.02451	2.7
115.05537	3.8
116.05876	0.4
117.07108	6.9
118.07429	0.4
119.03503	0.5
123.00903	0.8
123.04537	0.6
124.01660	0.5
125.02428	0.4
133.06587	0.6
134.06131	0.4
135.04546	0.4
136.01717	0.2
143.03500	4.7
143.05069	0.3
144.03802	0.2
161.04634	0.5
161.06076	12.8
162.06458	0.6
163.04015	1.7
165.05659	0.2
171.36115	0.2
179.05608	0.3
187.03995	9.0
188.04285	1.0
203.05609	0.3
205.05058	11.1
206.05370	0.7
211.13664	0.2
223.06111	2.0
241.04984	0.3
248.47540	0.2
256.07407	0.6
257.07861	0.4
271.09772	0.8
272.10104	0.5
277.59457	0.2
282.63129	0.2
287.09271	1.9
288.09641	0.6
309.72754	0.2
317.10287	1.1
318.10809	0.2
349.09433	0.6
385.11362	0.4
433.15149	0.7
434.15472	0.7
469.13358	1.7
470.13776	0.2
473.14444	0.6
474.15143	0.4
633.40070	0.9
643.46637	0.3
675.18994	2.3
676.20013	0.5
783.46271	0.2
799.48071	0.7
800.47699	0.5
801.29944	0.3
801.48120	0.4
837.25488	0.8
837.46320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.24337	0.8
59.01385	19.3
61.09927	0.9
61.98835	22.3
71.01382	9.3
73.02955	1.9
83.01399	0.9
85.02959	7.9
89.02457	5.3
91.05545	17.0
92.05862	1.3
97.02939	1.6
98.19847	2.7
101.02422	2.6
102.92358	0.9
109.46909	1.0
113.02458	8.9
115.05535	16.3
117.07111	53.9
118.07449	3.4
119.03514	1.1
125.02459	2.4
131.03485	1.3
133.06593	5.2
135.04527	1.1
143.03511	20.9
143.05057	1.7
161.06088	100.0
162.06378	4.8
163.04015	6.0
179.05597	1.5
187.04015	49.3
188.04373	2.8
203.05531	2.4
205.05067	68.7
206.05374	3.8
223.06161	6.7
229.05084	1.2
230.13634	1.0
265.07422	2.2
291.72659	0.9
342.93143	0.9
349.09280	1.3
383.13083	1.2
385.11124	1.0
399.57693	0.9
409.11377	2.9
425.14688	1.4
469.13522	24.4
470.13699	2.4
530.52051	1.0
615.17804	1.3
675.19324	10.6
676.19672	2.7
837.25000	6.1
838.25378	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.4
59.01386	20.0
61.98832	100.0
71.01397	12.8
71.56213	2.5
73.02933	3.7
83.01392	2.4
85.02959	7.7
89.02454	4.9
91.05539	8.8
97.02972	1.9
101.02467	7.1
113.02457	10.9
115.05546	18.9
116.92886	1.5
117.07108	47.0
118.07458	2.5
119.03501	1.9
123.04568	1.6
125.02449	2.5
133.06609	5.7
135.04526	2.2
143.03508	18.4
147.83124	1.4
161.06085	81.9
162.06436	6.3
163.04004	4.9
163.60670	1.3
179.05659	3.4
187.04016	48.3
188.04399	3.3
203.05609	2.7
205.05058	50.8
206.05377	3.4
211.13220	1.9
223.06270	8.1
312.95676	1.5
391.25650	1.3
409.11349	4.1
469.07263	1.2
469.13489	28.9
470.13773	2.0
675.19366	7.8
676.19879	1.7
837.24921	2.8
837.45099	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	837.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.8
59.14993	0.7
60.84145	0.7
61.98822	5.7
70.44730	0.7
71.01380	10.8
72.99303	1.0
73.02932	2.4
74.44533	0.7
79.80091	0.7
83.01392	1.2
85.02958	9.0
89.02451	3.3
91.05540	13.7
95.01375	0.8
97.02960	1.8
99.00893	1.2
101.02409	3.5
108.64111	0.7
113.02451	8.8
115.05527	14.8
117.07105	55.8
118.07423	2.7
119.03493	1.8
125.02422	2.5
133.06602	5.7
135.04567	1.5
143.03499	23.5
143.05058	1.5
144.03806	1.3
149.04527	0.8
161.06073	100.0
162.06439	5.9
163.03987	5.0
177.05417	0.7
179.05608	3.0
187.03996	56.6
188.04326	3.7
203.05580	2.9
205.05048	61.3
206.05420	4.3
223.06102	7.7
265.07178	2.5
349.09164	2.5
409.11331	4.2
469.13495	31.8
470.13953	3.6
675.19110	13.6
676.19128	1.8
731.20605	0.8
837.24670	4.3
838.24384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69197	0.5
59.01381	27.9
61.98833	20.1
69.03448	0.8
69.19956	2.0
69.20370	2.8
71.01382	15.6
72.99297	1.0
73.02954	8.0
81.03471	1.1
83.01386	2.2
85.01449	0.5
85.02952	9.7
87.00867	1.0
89.02452	4.5
91.05534	18.2
91.23314	0.6
95.01382	1.1
95.06074	0.5
97.02948	2.4
97.21354	0.5
97.57758	0.6
99.04539	0.9
101.02448	9.6
113.02451	15.6
115.05535	21.2
116.05856	0.9
117.03453	1.1
117.07107	58.0
118.07449	3.0
119.03454	1.5
119.05042	0.9
124.01655	1.7
125.02448	8.0
127.99789	0.5
131.03481	0.8
133.06610	7.5
134.07002	0.7
135.04474	1.3
135.14772	0.5
143.03497	33.3
143.04976	2.0
144.03819	1.0
149.04526	1.2
149.99545	1.6
151.04030	0.6
155.03514	1.6
157.58823	0.6
161.06078	100.0
162.06415	5.2
163.04007	7.8
168.00661	3.4
177.05542	0.7
177.90762	0.5
179.05624	2.2
180.04332	0.9
185.04544	1.2
187.04002	63.3
188.04344	3.6
195.06540	1.1
203.03697	1.0
203.05557	7.4
203.07274	1.0
205.05051	67.8
206.05380	3.7
222.04280	0.5
223.06133	5.5
229.05161	0.7
263.07663	0.9
265.07147	1.3
280.50247	0.6
331.06763	5.8
385.11304	1.5
399.05820	0.9
409.11261	0.9
437.78345	0.7
469.13492	25.4
470.13925	3.2
473.14703	0.6
583.18561	0.6
647.18951	0.6
659.35132	0.6
675.19269	15.8
676.19653	3.6
837.24323	5.0
838.25281	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	837.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.8
59.01378	24.8
61.98827	18.4
68.00317	1.2
71.01383	19.8
71.55935	2.6
72.99652	1.4
73.02950	2.8
83.01405	2.5
85.02949	12.4
87.00879	5.4
89.02460	11.7
91.05543	8.8
95.01398	5.1
96.95988	2.0
97.02934	2.5
98.32466	1.3
101.02443	11.0
113.02447	24.6
115.05526	5.2
117.07108	50.5
119.03544	1.8
125.02451	4.1
130.36172	1.2
133.06612	2.0
135.04517	1.7
143.03493	4.7
158.81743	1.3
161.04608	8.4
161.06062	100.0
162.06430	3.5
163.03996	2.1
169.20961	1.3
179.05533	2.0
187.04048	3.4
192.37904	1.3
205.05057	69.6
206.05411	3.4
209.45102	1.3
235.08226	3.5
237.07562	3.1
253.09311	1.6
277.21646	6.8
397.13443	2.1
415.14682	3.5
449.45065	1.5
559.18787	32.7
560.18927	1.8
577.20099	8.4
595.81378	1.7
731.21912	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	838.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
60.12603	0.1
61.98830	100.0
62.80968	0.1
62.98538	0.1
71.01386	1.1
72.99321	0.1
73.02948	0.2
77.92099	0.1
83.01390	0.1
85.02951	0.6
87.00880	0.1
89.02483	0.2
91.05555	0.3
95.01406	0.1
97.02950	0.1
101.02463	0.4
109.02981	0.1
113.02464	0.7
115.05560	0.7
116.05908	0.2
117.07113	1.3
118.07420	0.2
119.03531	0.1
123.00819	0.1
123.04524	0.1
125.02456	0.2
133.06654	0.2
143.03513	0.7
150.03320	0.1
161.06088	2.0
162.06419	0.5
163.04031	0.3
175.02592	0.1
187.04007	1.0
187.14586	0.1
188.04399	0.3
205.05066	1.3
206.05446	0.5
223.06102	0.2
256.07648	0.1
271.09961	0.2
392.43320	0.1
433.14957	0.1
469.13779	0.1
470.13937	0.2
633.40472	0.2
676.19922	0.3
775.42883	0.2
779.45990	0.5
800.48022	0.1
838.27155	0.1
838.44501	0.2
839.65680	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	838.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.1
70.22168	0.3
166.28273	0.1
228.79362	0.1
279.23178	0.1
371.48770	0.1
602.53564	0.1
761.51465	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
59.77526	0.6
60.53980	0.6
61.98824	15.2
63.02415	1.1
66.26342	0.7
71.56607	0.9
80.76878	0.5
83.01376	1.2
87.00889	0.7
89.02464	1.3
93.03475	1.6
98.00491	0.6
107.01411	1.7
115.05557	1.0
119.05074	1.1
120.94363	0.6
121.02900	0.6
135.00868	0.9
135.04506	0.6
137.02478	0.8
150.03268	0.9
151.00375	3.4
155.05051	1.0
159.04478	1.4
163.04117	0.7
165.05574	1.1
169.06569	1.0
171.04466	1.2
173.02423	0.7
179.03441	0.8
183.04535	3.0
185.06061	1.6
187.04007	1.8
189.05530	0.8
193.99318	0.6
195.04462	0.5
195.06561	1.1
199.04015	1.5
206.27490	0.6
211.04010	2.5
213.05597	2.9
214.02675	0.9
227.03484	17.8
228.03955	1.3
229.05084	4.9
232.48376	0.6
239.03345	1.8
240.04123	0.6
241.05061	1.9
243.03110	1.0
255.02975	57.5
256.03506	5.5
257.04520	3.5
271.10034	0.8
283.02457	56.9
284.03192	38.3
285.04025	84.0
286.04321	6.0
297.04178	1.0
299.05835	0.8
327.05057	2.4
530.14178	2.2
531.15155	6.0
532.16138	0.7
593.15063	100.0
594.15393	14.8
635.16205	1.1
839.26105	12.7
840.26227	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	840.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98830	100.0
63.22374	0.2
66.21699	0.2
69.24082	0.3
69.24488	1.9
71.01373	0.3
85.02972	0.5
91.17924	0.2
91.60119	0.2
101.02426	0.4
116.92881	0.3
159.32085	0.2
161.06084	0.2
177.19632	0.2
187.04106	0.3
188.21187	0.2
198.79112	0.2
252.14700	0.3
780.46454	0.4
781.47522	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01103	0.5
59.01381	6.8
61.98833	5.9
69.26402	1.1
69.26829	2.5
71.01373	3.0
73.02956	0.7
75.00868	0.5
79.16747	0.4
83.01393	0.9
85.02950	1.5
87.00878	0.6
89.02450	1.2
91.05534	14.5
93.03458	0.6
95.05039	0.7
95.13182	0.3
99.00893	0.5
101.02439	3.5
105.01918	0.5
113.02441	1.4
115.05537	48.5
116.05875	2.2
117.03474	5.4
117.07108	9.3
119.05024	0.8
121.02909	0.4
123.04526	24.6
124.04842	0.6
124.29929	0.4
127.24158	0.4
131.05020	2.9
133.06598	5.0
135.04510	1.5
143.05034	4.2
145.06546	0.4
147.04462	0.4
149.06036	1.9
159.04482	2.2
161.04599	1.6
161.06059	17.8
162.06436	0.7
163.04004	30.2
164.04353	1.5
173.06039	0.6
177.05528	0.8
179.05721	0.4
187.03999	100.0
188.04332	6.0
191.07138	0.5
193.05067	0.5
196.13196	0.4
201.05600	0.7
205.05058	7.4
206.05382	0.6
217.05060	0.5
223.06110	0.5
229.05066	0.7
235.06097	3.9
242.35809	0.4
247.06102	0.9
256.07306	0.5
265.07156	5.2
277.07288	0.5
285.09863	3.9
307.08221	1.0
431.13187	0.7
438.99277	0.4
473.14496	15.0
474.14716	2.3
491.15585	25.2
492.15918	4.2
515.15405	2.5
619.41943	0.9
679.20636	1.0
680.07568	0.4
680.20288	0.5
781.48077	2.1
841.26550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	38.4
61.98829	45.5
69.03438	1.0
69.23992	7.9
69.24284	0.8
71.01381	14.6
72.99310	3.6
73.02957	4.9
83.01396	2.6
85.02947	8.7
87.00873	1.5
88.98808	3.7
89.02457	6.6
89.99102	1.1
95.01357	1.7
97.02948	2.0
99.00916	0.9
101.02436	9.3
103.04005	2.7
108.02148	1.2
109.02975	1.3
109.16509	1.0
113.02429	3.8
115.05502	3.5
116.92841	1.6
119.03499	2.3
123.04523	3.0
125.02383	1.6
134.03734	2.0
137.02339	0.9
145.02907	1.2
150.03192	1.3
151.03923	1.4
152.01131	1.7
153.01889	1.0
153.05536	1.3
160.01640	2.8
161.04530	3.9
161.06052	2.5
163.04018	2.0
163.06122	1.1
164.04797	2.0
165.01917	1.4
165.05505	3.3
165.74287	1.0
175.02592	2.3
175.03952	2.9
180.04234	1.2
187.04047	5.2
188.04234	1.2
193.05243	1.8
193.07132	6.0
195.06604	3.0
204.41063	1.0
213.05571	10.8
235.08339	1.2
237.07744	1.7
241.05057	32.1
242.05429	2.6
255.06631	9.9
256.07397	80.8
257.07761	5.8
260.28317	1.0
261.06232	5.9
270.08902	4.3
271.09735	70.6
272.10068	6.9
285.04111	2.3
289.09027	1.1
293.23593	1.0
315.07126	2.3
357.13531	1.1
374.88507	1.0
377.07739	0.9
415.14078	2.0
419.30759	1.1
433.14917	4.8
453.48044	0.9
473.14874	1.3
521.33453	1.7
532.77802	0.9
579.20795	100.0
580.12299	0.6
580.21075	18.2
619.42114	3.1
643.27490	1.1
647.19928	3.8
667.11041	1.0
696.68250	1.1
781.46857	4.5
823.15723	1.1
841.27844	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	841.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01133	2.6
59.01381	25.8
61.98830	100.0
69.41601	19.3
71.01382	27.5
73.02938	11.5
83.01383	7.0
85.02969	19.2
85.98621	2.3
87.00901	4.1
88.27278	2.2
89.02443	5.0
90.06285	2.1
99.00883	4.6
101.02449	22.2
110.19185	2.9
111.00869	2.6
113.02452	13.4
114.12399	3.0
115.05545	5.7
119.03475	2.9
125.02451	7.6
161.06030	7.0
163.04068	2.6
172.54524	2.8
187.04019	7.3
271.76291	2.4
398.88101	2.4
447.32901	5.4
473.13525	2.7
591.37286	4.9
609.38416	7.2
737.43225	37.6
738.43530	7.9
755.44586	30.1
756.44403	7.6
781.46088	7.3
797.45294	8.4
799.46741	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	841.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.02824	10.8
69.96394	27.3
69.96790	24.1
78.35947	13.9
85.04569	13.1
98.20016	21.8
102.05015	13.9
139.23866	13.8
214.11478	14.5
235.08180	21.1
277.21695	53.3
309.20502	30.4
342.03619	12.8
403.09378	14.9
410.20590	12.7
431.98676	13.2
492.72656	14.2
531.92883	13.2
664.66394	14.5
841.48615	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	841.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	60.0
61.98831	100.0
68.07253	1.3
68.28178	1.2
71.01379	27.3
73.02944	8.0
83.01383	3.9
85.02955	14.0
87.00887	1.6
89.02448	4.0
95.01406	3.5
98.20675	3.4
99.00889	3.4
100.04749	1.3
101.02438	17.8
111.00890	1.5
111.45402	1.3
113.02466	11.3
115.05534	6.4
115.99565	1.4
117.07079	2.0
125.02467	2.4
135.04491	1.4
143.03552	1.8
161.04539	12.7
161.06046	3.6
163.03957	2.1
163.06033	1.5
177.93535	1.4
187.04008	8.5
191.03542	2.1
195.06531	1.9
199.56262	1.6
219.33241	1.7
235.05966	1.7
459.03427	2.0
560.89697	1.6
615.81604	1.5
619.42102	14.3
781.47449	40.4
782.47473	8.3
841.49597	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	841.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	60.0
61.98831	100.0
68.07253	1.3
68.28178	1.2
71.01379	27.3
73.02944	8.0
83.01383	3.9
85.02955	14.0
87.00887	1.6
89.02448	4.0
95.01406	3.5
98.20675	3.4
99.00889	3.4
100.04749	1.3
101.02438	17.8
111.00890	1.5
111.45402	1.3
113.02466	11.3
115.05534	6.4
115.99565	1.4
117.07079	2.0
125.02467	2.4
135.04491	1.4
143.03552	1.8
161.04539	12.7
161.06046	3.6
163.03957	2.1
163.06033	1.5
177.93535	1.4
187.04008	8.5
191.03542	2.1
195.06531	1.9
199.56262	1.6
219.33241	1.7
235.05966	1.7
459.03427	2.0
560.89697	1.6
615.81604	1.5
619.42102	14.3
781.47449	40.4
782.47473	8.3
841.49597	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	842.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	67.1
61.98830	100.0
66.86593	0.9
68.83893	0.9
69.03446	2.9
71.01388	6.6
73.02949	6.9
76.13560	1.0
81.03452	1.9
83.01379	2.8
85.02920	1.7
87.00893	1.1
89.02406	1.6
93.03459	1.1
95.01413	1.6
97.02943	2.8
101.02443	4.7
103.62608	1.0
113.02451	3.6
115.05536	30.6
116.05829	1.2
116.92856	3.8
117.03470	1.5
117.07107	15.4
117.92834	1.4
119.03548	2.9
123.04507	6.9
125.02436	14.2
143.03468	1.9
143.05045	3.3
161.04643	2.5
161.06076	51.4
162.06415	3.4
165.05495	1.2
185.04480	1.4
187.04008	59.1
188.04298	2.9
205.05019	3.3
239.09981	1.0
245.06487	1.3
285.04297	1.3
285.09692	4.4
323.11377	16.8
338.65964	1.1
345.11926	4.8
346.12070	1.2
448.73843	1.1
461.24240	1.4
473.14569	10.8
474.14850	1.9
511.14349	4.1
566.32916	1.1
749.26025	1.2
779.23767	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	842.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98830	100.0
62.98520	0.2
71.01399	0.4
73.02956	0.1
74.07322	0.1
85.02942	0.3
98.19864	0.3
99.00842	0.1
101.02451	0.3
113.02455	0.2
115.05566	0.4
117.07129	0.1
117.87229	0.1
119.26681	0.1
147.74886	0.1
151.77927	0.1
161.06171	0.2
162.81026	0.1
163.04013	0.2
187.04018	0.5
216.03676	0.1
216.21054	0.1
227.10774	0.1
281.68701	0.1
333.79517	0.1
356.19049	0.1
397.66171	0.1
425.76169	0.1
449.85886	0.1
473.14890	0.2
522.66357	0.1
694.80792	0.1
760.48535	0.1
774.26880	0.1
782.47137	0.2
783.48956	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98830	100.0
62.98548	0.2
64.80606	0.1
71.01379	2.0
71.55711	0.2
72.99300	0.3
73.02955	0.5
75.00842	0.2
78.16969	0.2
83.01408	0.7
85.02959	1.0
85.47218	0.2
87.00881	0.3
88.98816	0.2
89.02467	0.5
91.05560	0.5
95.01373	0.3
99.00880	0.2
101.02441	1.4
102.04774	0.2
106.37987	0.1
112.90974	0.1
113.02430	0.8
115.05540	1.6
117.07133	0.5
123.04548	0.4
125.02444	0.6
133.06613	0.6
143.03439	0.2
151.04041	0.3
161.04698	0.3
161.06097	1.6
163.04018	0.6
187.04004	2.4
188.04382	0.3
216.74126	0.2
241.08684	0.2
243.10197	1.6
367.09964	0.2
405.15475	0.5
473.14597	0.7
474.15347	0.2
496.57422	0.2
782.46796	1.7
783.48828	1.6
800.46899	0.8
842.48676	0.4
863.45288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98831	100.0
62.98537	0.2
66.35484	0.1
71.01388	0.3
71.45307	0.1
85.02957	0.2
101.02470	0.3
113.02444	0.2
115.05550	0.6
116.05936	0.1
117.07122	0.2
123.04552	0.1
133.06546	0.2
161.04855	0.1
161.06047	0.6
163.04025	0.3
187.03992	1.0
191.57201	0.1
256.07642	0.2
271.09720	0.2
272.41882	0.1
307.06381	0.1
343.16632	0.1
352.89188	0.1
473.14938	0.1
782.48126	0.2
783.49969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.3
60.01696	0.2
61.98831	100.0
62.98520	0.2
70.46576	0.5
71.01385	2.1
71.52448	0.1
72.01723	0.2
72.99315	0.2
73.02952	0.5
73.65418	0.1
79.50578	0.1
83.01385	0.4
85.02962	0.7
86.03329	0.1
89.02435	0.8
98.20041	0.2
99.00885	0.2
101.02451	1.4
113.02451	0.9
115.05560	0.8
117.07090	0.2
119.03551	0.3
123.04542	0.2
125.02420	0.3
143.03546	0.2
145.03023	0.2
149.02477	0.2
159.02968	0.2
161.04591	0.7
161.06000	0.2
163.04015	0.4
175.02539	0.2
179.05588	0.2
187.04019	1.1
188.04402	0.3
228.64177	0.2
233.03258	0.1
285.98541	0.1
287.48444	0.2
326.99533	0.2
403.39169	0.1
619.42596	0.2
620.42505	0.9
699.06531	0.2
782.47693	1.8
783.48572	0.3
842.45837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
61.98830	3.9
69.03457	0.5
71.01383	6.2
71.33276	0.3
72.99287	0.5
73.02957	1.1
81.03469	0.3
83.01388	1.3
85.02962	1.4
87.00877	1.0
89.02444	6.5
95.01396	0.7
97.02912	0.4
101.02451	3.5
103.00340	0.4
113.02468	3.5
117.03534	0.3
119.03491	1.8
125.02457	1.2
127.00368	0.4
131.03474	0.5
135.04517	0.9
139.85129	0.3
143.03508	1.0
161.04527	1.0
179.03551	1.8
179.05611	1.8
199.21448	0.3
213.05542	9.7
214.06044	0.7
214.25838	0.3
229.03542	1.1
241.05063	36.7
242.05405	3.1
255.06575	2.0
256.07407	84.4
257.05255	0.6
257.07755	7.7
271.09747	100.0
272.10068	9.9
311.55246	0.3
323.09735	0.7
341.10883	6.1
383.11984	0.8
409.09903	5.9
410.10391	0.6
415.14200	0.5
433.15018	61.1
434.15338	8.0
475.16180	0.8
501.14081	5.5
502.14621	1.1
545.23566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01713	0.6
61.98851	0.6
69.47930	0.8
69.48338	2.5
71.01382	4.9
71.11143	0.4
72.41379	0.3
72.99317	0.5
73.02951	2.2
75.00871	0.5
83.01380	0.7
85.02942	2.1
87.00909	0.8
89.02459	1.9
95.01429	0.5
98.19904	0.8
99.00895	0.5
101.02438	6.2
103.03997	0.4
105.03472	0.4
107.05062	1.6
107.86964	0.4
113.02472	1.6
119.03524	1.6
121.02956	0.6
125.02480	0.6
134.03734	0.5
135.04507	0.8
140.71320	0.4
143.03535	1.4
159.03090	0.5
161.02461	3.7
161.04576	1.4
162.02866	0.5
163.06140	1.6
174.01703	0.5
179.03508	15.6
180.03873	0.6
189.01907	2.0
191.05644	0.9
193.05099	0.6
205.07262	1.4
249.04010	0.8
258.37039	0.4
267.26715	0.4
269.10266	2.7
307.65012	0.4
311.11365	3.9
384.55765	0.4
409.11465	0.6
537.56866	0.4
875.64117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.38710	0.1
61.98832	100.0
62.98537	0.3
63.01041	0.1
63.01366	0.1
71.01381	0.6
83.01361	0.2
85.02960	0.4
88.98825	0.2
89.02483	0.2
98.19904	0.6
101.02459	0.4
109.02937	0.2
113.02450	0.3
115.05554	0.4
127.25990	0.1
161.04620	0.2
161.06087	0.3
165.05527	0.2
175.02557	0.2
187.03934	0.7
188.04590	0.1
230.25836	0.2
241.05049	0.2
256.07458	0.4
271.09866	0.4
433.15216	0.2
519.33240	0.2
650.49768	0.1
784.49414	0.3
785.47180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
61.98833	100.0
65.41441	0.2
68.99583	0.3
71.01389	1.1
73.02943	0.4
74.58495	0.2
83.01402	0.3
84.57104	0.2
85.02968	0.5
87.00901	0.3
89.02449	0.4
90.32200	0.2
96.96062	0.3
101.02473	0.8
108.02193	0.2
109.02986	0.5
111.75375	0.2
113.02438	0.4
115.05522	1.0
116.05897	0.3
116.92868	0.3
117.07094	0.2
123.04546	0.6
125.02492	0.3
140.01180	0.2
144.48349	0.2
145.02940	0.2
151.91779	0.2
153.01987	0.7
161.04747	0.3
161.06137	0.6
162.06421	0.2
163.04019	0.4
163.06271	0.3
164.04579	0.3
165.05621	0.5
175.02541	0.3
177.63777	0.2
187.03983	1.7
188.04404	0.8
193.05301	0.2
195.06773	0.4
256.07544	0.5
257.07895	0.2
271.09778	0.4
272.10233	0.3
284.03360	0.2
285.04071	0.4
433.15277	0.2
473.13989	0.2
599.62042	0.3
784.48798	0.3
785.47601	0.3
845.31860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.4
61.98832	29.3
70.75206	1.4
71.01385	16.5
72.99297	1.8
73.02944	4.0
83.01369	2.7
85.02930	7.0
87.00869	4.4
88.98805	2.9
89.02459	7.7
91.01891	2.3
93.03446	1.9
95.01385	4.6
96.96003	5.3
99.00881	2.7
101.02449	8.5
108.02164	4.1
109.02908	2.0
113.02445	7.8
115.00372	1.6
116.92855	2.1
119.01378	4.3
119.03502	2.4
121.02959	6.6
123.00880	31.6
123.04539	2.8
124.01659	15.6
125.02417	4.9
132.02165	20.6
133.02962	7.7
134.03760	24.3
135.04488	5.3
136.04880	1.9
137.02425	4.8
138.03249	11.4
139.00409	1.9
139.04005	8.9
143.03529	1.8
145.02974	1.6
147.00890	2.9
147.04521	2.0
149.02428	15.9
149.06110	2.6
150.03242	3.9
151.03958	2.1
152.01169	2.0
153.01945	3.1
153.05537	2.8
160.01657	89.1
161.02441	19.9
161.04588	3.1
161.05965	1.6
162.02995	2.6
163.04010	4.8
163.06242	1.5
164.04799	14.6
165.01933	1.7
165.05544	3.1
168.04253	1.5
175.00397	26.4
175.03990	100.0
176.01093	8.3
176.04332	6.7
177.01804	1.6
178.02734	2.6
179.03468	2.9
179.05707	1.5
179.07056	3.1
180.04068	2.0
181.05019	3.3
182.02223	2.4
190.02724	79.1
191.03464	9.3
193.05064	18.7
195.06641	3.0
197.04509	4.2
205.05057	69.9
206.05371	4.6
208.03798	2.5
209.04466	2.6
213.09590	1.7
221.04497	1.5
223.06076	10.7
233.98750	1.6
271.09717	1.7
323.07367	2.2
337.09262	32.6
338.09634	2.7
341.10852	5.6
353.08902	2.1
359.27158	1.6
367.10324	38.1
368.10690	4.7
383.11926	2.6
477.14011	63.9
477.20865	3.6
478.14301	8.2
493.13727	2.2
507.15012	47.6
508.15341	6.4
595.18402	1.6
639.19342	13.4
640.19476	2.1
669.19971	9.5
670.21307	2.1
683.22498	5.3
683.38922	7.4
834.01874	1.7
845.25159	28.5
845.40540	2.5
846.24786	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	845.251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.6
60.99311	0.8
61.98815	2.3
69.45666	5.7
71.01388	3.3
72.08539	0.7
73.02945	0.9
77.03972	2.0
78.24358	0.6
79.01893	1.2
81.03477	0.7
81.88368	0.7
84.43392	0.7
85.02968	1.4
88.54082	0.7
88.98325	0.6
88.98786	4.1
89.02433	0.8
93.03470	2.2
95.00098	0.7
96.95982	0.8
97.99835	0.6
98.20611	1.3
99.04523	32.0
100.04861	0.8
101.02448	8.7
105.03421	0.7
107.01431	0.7
107.04999	0.6
113.02415	1.3
117.03472	9.9
119.04988	1.0
121.02945	2.6
125.02453	16.8
133.02942	1.6
135.04501	3.2
143.03487	2.8
145.02907	1.2
147.04584	1.1
149.02444	1.6
159.04549	1.9
161.02455	3.9
161.04535	1.2
163.04025	3.4
165.01979	1.1
173.02390	0.6
175.00284	0.7
179.03542	5.5
191.03450	1.5
193.01414	0.9
197.06081	0.8
211.07600	0.9
215.07101	0.9
239.07138	1.7
243.06758	0.9
255.03021	1.2
268.03833	2.4
269.04471	2.4
269.10202	3.3
281.04593	2.2
282.05151	1.7
283.06131	49.1
284.03387	1.2
284.06421	4.1
293.04633	2.9
295.06055	1.8
311.05621	81.7
311.10855	5.6
312.06061	7.7
314.04208	0.7
323.05576	2.5
341.06653	6.5
342.06781	1.0
351.14493	0.8
413.14587	7.1
431.09818	100.0
432.10135	12.2
755.20410	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.9
61.98830	13.4
69.03465	1.1
70.57203	1.4
71.01384	9.8
73.02958	2.9
79.01881	0.7
81.03471	1.0
83.01398	1.5
85.02955	5.7
87.00885	0.9
89.02443	2.1
90.60835	0.5
93.03467	1.1
95.01384	2.1
97.02952	1.2
99.00883	1.3
101.02450	5.1
107.01388	0.8
108.02174	61.8
109.02969	30.7
110.03289	1.4
113.02438	3.6
119.05064	0.7
121.02945	1.8
123.00909	1.1
123.04533	5.1
125.02410	1.3
132.02177	0.6
133.02977	2.2
135.00882	3.4
135.04533	1.0
138.03224	1.1
149.02463	0.7
151.04022	2.4
152.01151	65.7
153.01947	34.3
153.05563	18.7
154.02277	1.5
154.05890	0.7
159.03009	0.6
161.04576	3.1
163.04044	1.9
165.01962	2.4
176.01184	1.6
177.01927	25.3
178.02357	1.2
179.03554	1.0
184.88712	0.6
191.03479	0.8
203.05582	0.5
211.02747	0.6
225.04094	0.7
229.03276	0.7
315.07217	100.0
316.07538	8.4
326.17804	0.5
339.07190	36.6
340.07654	2.8
383.06100	37.6
384.06497	4.1
401.07309	5.9
402.07538	0.8
452.53232	0.6
461.23932	11.2
462.24246	1.6
464.63547	0.5
529.22943	4.2
845.30756	10.2
846.31146	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	845.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	10.3
61.98830	100.0
70.71763	3.7
71.01384	10.0
73.02926	1.5
75.82487	1.1
83.01386	1.5
85.02958	3.0
87.00864	1.7
88.98817	2.8
89.02451	5.0
101.02427	4.4
113.02448	2.8
115.05538	2.1
116.92852	1.5
119.03450	1.3
124.15757	1.1
125.02402	2.1
133.25357	1.2
147.83769	1.2
153.15611	1.2
161.06081	1.7
163.04126	2.1
179.05525	1.8
194.71429	1.2
239.33865	1.1
349.67569	1.4
359.25891	1.4
369.24326	2.0
387.25381	4.2
405.26334	8.9
785.39514	35.2
786.39514	6.7
811.87744	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	20.9
61.98816	4.6
66.48272	1.3
69.83203	7.8
71.01378	16.1
72.99313	1.6
83.05007	1.4
85.02946	3.9
87.00872	3.6
89.02451	11.5
95.05053	2.1
97.02935	1.3
97.06596	17.0
98.20033	2.1
101.02460	10.5
113.02401	4.9
119.03496	2.1
123.08170	7.9
125.02452	1.7
125.09727	74.2
126.10056	2.6
140.03357	1.1
169.08791	1.4
179.05708	1.3
181.81720	1.3
187.08092	2.2
187.09767	40.5
188.10155	1.9
193.47644	1.2
212.49353	1.2
235.08141	1.9
277.21716	29.1
278.21991	2.6
397.13361	5.0
549.61768	1.5
567.22864	2.8
585.23749	2.2
845.45355	100.0
846.45673	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	845.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.2
61.98832	55.1
63.45357	1.0
69.03445	1.3
71.01382	13.5
73.02923	2.0
83.01358	1.5
85.02943	3.0
85.87670	0.9
87.00869	3.9
88.61452	1.0
89.02447	11.2
95.05042	1.3
97.02927	1.5
97.06592	17.1
98.20663	1.9
101.02454	9.0
113.02438	4.5
119.03493	1.9
123.08177	9.5
125.02437	2.6
125.09729	93.4
126.10042	3.0
137.62502	1.1
146.79503	0.9
161.04625	1.3
162.04895	1.2
168.43901	1.1
169.08600	1.7
173.44611	0.9
187.09760	62.7
188.10097	2.7
221.06635	4.1
261.13284	1.2
277.21774	11.8
278.22147	1.3
397.13699	1.2
477.66965	1.0
567.22943	2.7
585.24030	7.6
782.51672	3.3
845.45374	100.0
846.45709	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.1
61.98832	100.0
71.01392	7.4
71.25333	1.8
73.02936	1.1
81.03468	0.9
85.02940	2.2
87.00847	2.0
89.02447	6.1
93.63811	0.8
95.04968	1.3
97.06591	10.0
101.02430	5.6
103.53418	1.0
113.02422	3.1
116.92835	1.1
119.03492	1.4
123.08155	4.2
125.09726	58.3
126.10043	2.8
133.39638	0.9
160.40636	0.9
187.09749	39.4
188.10066	2.0
221.06683	2.1
251.59081	0.8
274.66690	1.0
277.21710	7.7
567.22418	1.5
585.24304	3.9
782.51984	4.5
783.53564	1.1
845.45313	54.9
846.45410	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	846.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98829	100.0
62.98535	0.2
69.22033	1.6
78.72318	0.2
88.98820	0.2
92.85159	0.2
96.96044	0.3
101.19731	0.2
113.42200	0.2
119.88255	0.2
127.44074	0.2
161.06046	0.3
187.04027	0.2
712.46558	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
59.32300	0.1
61.98832	100.0
62.98545	0.3
63.99259	0.4
70.54921	0.3
70.55276	0.2
71.01386	0.3
85.02968	0.2
85.10832	0.1
89.02405	0.1
101.02440	0.2
113.02414	0.2
115.00373	0.1
115.05550	0.5
117.07106	0.2
119.05045	0.2
133.06624	0.2
149.06125	0.1
161.06088	0.4
163.03981	0.2
175.02515	0.2
187.04063	0.6
211.13464	0.4
296.15356	0.1
301.07376	0.3
343.89749	0.1
384.16397	0.1
570.25018	0.1
679.18103	0.1
762.79175	0.1
790.53448	0.1
794.03143	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	846.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.98832	100.0
62.98534	0.2
71.01398	0.5
83.01385	0.1
88.98817	0.2
90.52316	0.1
99.00844	0.2
101.02429	0.2
115.05534	0.6
116.92849	0.2
123.04553	0.2
161.06068	0.2
187.03999	0.8
211.13358	0.2
226.42088	0.1
229.23512	0.1
240.07928	0.2
276.38446	0.1
335.06152	0.3
381.49014	0.1
786.48743	0.2
810.01471	0.1
847.43170	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
59.86027	0.1
61.98830	100.0
62.98542	0.2
62.99259	0.1
71.01386	0.3
83.01417	0.1
85.02959	0.1
87.00899	0.1
88.98786	0.1
92.90417	0.1
99.28798	0.1
101.02483	0.2
113.02445	0.1
115.05537	0.1
161.04572	0.1
211.13545	0.1
241.09076	0.1
323.36121	0.1
786.50995	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.9
63.19322	0.5
65.03945	0.6
68.89310	0.4
69.03479	1.1
71.01389	5.1
71.11476	1.0
72.99309	0.8
73.02969	1.3
80.38475	0.4
81.03446	0.6
83.01380	4.4
85.02941	2.2
87.00866	5.1
87.01309	0.6
89.02453	1.8
90.54881	0.4
93.03462	6.2
95.01400	1.8
95.05013	1.1
96.96015	1.1
97.02958	6.3
99.00904	0.7
101.02435	3.6
107.05051	1.0
108.02183	1.9
109.02954	5.2
111.00895	3.2
113.02460	1.4
115.00461	0.4
117.03474	1.4
119.01360	0.8
119.05003	2.4
120.02207	2.4
121.02953	1.5
122.03808	0.5
123.00983	0.5
123.04526	7.4
124.01688	2.2
124.04852	0.6
125.02445	3.5
127.38499	0.4
129.01941	2.5
133.02965	6.5
134.03738	0.9
134.68730	0.4
135.04514	1.5
137.02443	36.3
138.02814	0.8
139.04007	1.6
143.03444	0.5
143.05035	2.0
145.02928	0.7
146.03761	1.0
147.04503	1.1
149.02429	1.2
151.04008	2.3
153.01949	1.4
157.06560	3.6
159.03163	0.4
159.04535	1.3
160.01672	0.5
161.04639	0.6
161.06084	2.0
163.00415	2.4
164.01154	50.0
165.01932	15.0
166.02547	0.9
167.03583	0.6
167.05032	1.4
169.06578	1.2
171.04533	0.9
173.06128	0.5
175.02536	1.2
177.01933	2.2
180.05817	2.0
181.06615	2.7
183.04501	1.8
183.08170	0.5
184.05420	0.5
185.06062	7.6
187.04053	0.9
187.07631	1.5
189.05544	2.5
190.02667	0.4
196.05258	0.6
197.06145	0.8
199.07640	2.9
201.05508	1.2
203.07149	10.7
204.07503	0.5
205.08714	1.5
207.02872	0.6
208.05272	1.0
209.06064	6.9
211.03949	1.3
211.07651	1.2
212.04730	0.8
213.05374	0.5
225.05580	4.9
227.07133	4.5
228.04253	7.8
228.07655	0.5
229.05072	3.3
229.08620	2.4
231.06796	0.7
241.04988	1.0
242.05750	0.5
243.06624	3.4
253.05061	77.6
254.05449	6.2
255.06595	4.3
257.08246	1.7
269.04510	0.8
269.10339	1.7
270.05331	1.9
271.06110	100.0
272.06473	7.7
273.07678	29.9
274.08041	2.0
299.09280	0.8
325.07257	1.2
415.16046	6.9
416.16852	0.7
433.11377	50.9
434.11768	6.6
481.96136	0.5
559.13959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98829	100.0
70.76081	0.2
71.01388	1.6
73.02941	0.3
75.95541	0.2
85.02946	0.4
89.02477	0.5
99.00871	0.2
101.02472	0.9
106.06650	0.4
113.02446	0.7
122.06100	1.5
125.02447	0.5
134.06116	3.1
139.67256	0.2
175.02531	0.3
190.05066	0.6
221.10968	0.5
249.10449	0.3
251.11955	0.4
263.08243	0.4
264.08868	0.3
265.09726	0.3
269.04474	0.3
277.09863	0.5
279.11505	0.7
291.11359	0.5
305.09393	0.6
317.09427	0.3
337.11890	0.4
426.17786	0.3
472.19107	0.3
496.27222	0.3
545.29730	0.3
588.23663	0.3
632.22833	0.5
664.25055	4.5
665.25897	1.0
713.28796	0.4
755.29285	2.5
756.29785	0.5
787.31897	10.7
788.32031	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	850.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.24052	1.0
69.24462	0.2
71.76493	0.1
107.13906	0.1
194.48082	0.1
234.54741	0.1
276.67264	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	851.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	28.6
61.98831	100.0
69.19987	13.3
69.20410	7.6
71.01385	24.1
72.99310	2.8
73.02946	8.6
80.05037	2.0
81.99986	1.8
83.01383	4.6
85.02958	12.2
87.00899	6.6
88.98282	2.1
88.98813	4.3
89.02441	15.1
93.03460	4.0
93.69540	2.0
95.01383	5.1
97.21894	2.0
98.20754	3.3
99.91877	2.1
101.02442	17.4
101.22698	1.7
104.05084	7.8
106.06627	8.5
108.04560	7.2
113.02496	11.3
115.05508	2.3
115.45522	2.0
119.03494	5.2
120.04572	2.7
122.06120	10.9
125.02460	2.6
125.53377	1.9
132.04558	62.5
133.04872	2.7
134.06123	50.9
135.06465	4.1
136.07675	8.3
138.05644	3.3
143.03473	3.9
144.04543	2.4
148.04034	4.8
149.02501	3.0
150.03195	3.8
150.05591	2.4
151.00383	2.2
152.07190	5.1
158.06100	7.4
160.03999	5.1
161.04585	2.5
161.06120	3.0
162.05550	4.2
163.04056	3.8
164.03473	5.6
165.05540	4.0
174.01872	3.1
175.02571	4.4
175.04033	1.8
176.03525	16.1
179.05653	2.2
180.06570	2.6
187.04010	5.1
188.03513	11.8
190.05186	2.5
195.06668	4.8
198.09210	3.8
214.12340	2.4
225.06660	2.8
227.11893	2.1
229.09782	11.4
240.10300	3.4
241.09929	14.6
242.10518	5.6
251.11893	8.7
255.11465	6.5
257.13052	9.6
279.11331	21.2
281.09042	2.4
283.10834	18.7
284.11124	2.4
295.10815	5.7
323.10449	21.1
343.12793	4.0
388.13385	2.3
431.18185	2.6
459.17529	8.1
475.17197	4.6
478.97418	2.3
503.16632	26.3
504.17111	3.3
535.18976	2.3
707.35327	5.2
719.29224	7.0
725.27466	2.9
743.29205	40.1
744.29810	8.8
744.97705	2.1
769.27289	8.5
787.28345	76.5
788.28650	23.7
801.29272	5.1
815.46844	13.5
816.48035	2.3
819.31238	23.0
820.31512	8.9
851.43176	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	852.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98532	0.3
71.03448	0.2
75.62952	0.1
83.83389	0.1
142.85153	0.1
158.52899	0.1
164.98854	0.1
801.81018	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	852.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98545	0.1
66.44643	0.1
79.23959	0.1
98.20753	0.2
98.80255	0.1
122.82671	0.1
141.58276	0.1
186.08446	0.1
188.60899	0.1
225.94882	0.1
229.18216	0.1
462.45084	0.1
757.86633	0.1
767.00897	0.1
853.48291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01713	6.8
61.98832	5.5
69.44025	3.5
69.44437	10.7
71.01382	100.0
72.99293	5.0
73.02950	37.1
75.00867	2.9
83.01389	14.8
85.02956	50.7
85.03462	3.2
87.00883	10.0
89.02449	20.0
95.01381	10.0
97.02958	4.0
98.11729	1.7
99.00869	13.7
101.02450	69.7
102.02801	2.6
103.03994	3.5
111.00896	3.9
113.02448	45.8
113.46931	1.8
115.03997	3.2
119.03506	7.2
125.02435	4.1
129.01993	2.9
131.03500	5.3
143.03496	9.4
159.02979	7.8
161.04558	31.7
163.06102	3.5
195.85332	1.8
205.07112	2.0
242.37212	1.9
251.33353	2.1
289.16589	17.2
290.16904	2.3
331.17624	59.6
332.18030	3.9
373.18677	27.7
375.26422	2.1
435.22345	62.4
436.22754	3.9
561.29419	2.7
634.58716	2.3
707.34894	19.5
708.35455	3.7
853.40857	38.7
854.41016	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	854.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98543	0.1
65.40211	0.1
68.11950	0.1
70.22926	0.1
71.01385	1.0
72.99310	0.2
73.02938	0.3
85.02966	0.5
85.06591	0.1
87.00897	0.2
88.98794	0.2
89.02464	0.6
99.00862	0.2
101.02441	0.6
113.02487	0.4
115.05565	0.4
117.07112	0.1
119.03478	0.4
123.04581	0.2
137.60165	0.1
143.03581	0.1
145.03046	0.1
161.04594	0.2
161.06079	0.2
163.04065	0.2
165.05577	0.2
175.02457	0.2
178.36745	0.1
179.05609	0.3
187.04076	0.6
195.06601	0.1
256.07498	0.2
271.09842	0.3
339.00119	0.1
388.72989	0.1
433.15366	0.2
459.13150	0.1
506.68497	0.1
508.83542	0.1
633.39996	1.9
726.77905	0.1
727.36157	0.1
791.40289	0.9
795.45245	0.2
803.08258	0.2
816.47638	0.2
854.44788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	12.6
65.86002	0.3
66.33775	0.3
69.83327	2.1
71.01376	3.6
72.99303	0.5
73.02951	1.2
81.72510	0.3
82.95433	0.5
83.01365	0.8
85.02954	2.3
86.71745	0.3
87.00867	0.5
87.09946	0.3
88.98797	1.9
89.02451	1.4
91.77505	0.4
96.96008	0.4
101.02440	2.6
113.02461	1.4
115.05527	1.6
116.92843	0.5
117.07066	0.4
119.03480	0.7
123.04494	0.4
125.02441	0.7
161.04561	1.4
161.06038	1.0
163.03984	1.1
165.05589	0.6
166.55350	0.3
175.54057	0.4
187.04007	2.1
188.04327	0.4
193.05063	0.6
195.06577	0.5
205.05139	0.4
345.71289	0.4
497.41812	0.4
523.64954	0.4
633.40063	100.0
634.40411	20.0
634.51306	0.7
675.41144	2.1
676.40967	0.5
734.89600	0.4
795.45190	1.1
818.05511	0.4
855.45758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89561	0.5
60.99297	0.9
61.98829	28.2
63.99236	0.6
71.01382	6.5
72.99303	0.9
73.02934	1.9
83.01350	1.1
85.02944	2.5
87.00864	1.4
88.98442	0.4
88.98806	4.1
89.02435	2.5
95.01375	0.8
97.02934	0.6
99.00872	1.1
101.02444	4.7
111.27472	0.5
113.02473	2.8
115.05518	3.2
116.92840	1.1
117.07087	1.4
119.05008	0.7
123.04523	1.4
143.03503	0.7
161.04512	2.1
161.06056	3.2
163.04002	1.7
187.03998	5.0
256.07288	0.8
271.09799	0.8
433.14847	0.6
473.14426	0.8
485.24207	0.5
492.58313	0.6
572.36914	0.6
627.64160	0.5
631.23547	0.5
633.40057	100.0
634.40472	17.8
675.40887	2.6
795.44684	2.2
817.47736	1.1
855.45135	2.0
856.46802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39675	0.2
61.98831	100.0
62.98526	0.4
71.01388	0.6
71.55351	0.3
74.22168	0.2
77.49229	0.2
83.28824	0.3
85.02979	0.4
85.45433	0.2
88.98830	0.2
101.02437	0.4
115.05531	1.0
117.07074	0.5
123.04537	0.3
133.06631	0.5
161.04868	0.3
161.06071	1.3
170.41235	0.2
175.02496	0.2
187.04027	1.7
227.07196	0.5
254.95610	0.3
256.07434	0.3
271.09726	0.5
298.08405	0.2
390.61761	0.2
473.14896	0.3
489.03250	0.2
634.40289	1.0
797.47272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88883	0.2
61.29995	0.2
61.98828	0.4
62.25060	0.3
69.52319	0.3
73.02951	0.7
87.49469	0.3
92.83893	0.3
98.19822	0.9
99.92586	14.1
100.92570	0.6
114.93381	0.5
116.92860	100.0
117.01942	0.7
117.92878	4.7
157.46465	0.3
168.99568	0.3
183.75333	0.3
209.78499	0.3
215.69051	0.3
299.42813	0.4
647.46820	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01712	0.9
61.98829	23.9
66.41554	0.9
67.33897	0.8
69.03439	1.0
71.01380	65.7
72.99297	2.1
73.02944	22.1
75.00848	1.4
81.03450	0.8
83.01385	10.7
84.02139	0.8
85.02949	34.6
86.03278	0.9
87.00865	3.1
88.15234	0.7
88.98818	0.8
89.02438	9.0
95.01378	6.4
95.51821	0.7
95.73409	0.7
97.02943	1.6
98.19908	2.3
99.00890	7.0
101.02444	38.5
102.02750	0.9
111.00890	0.9
113.02452	25.9
113.44763	0.6
119.03496	3.0
121.02890	0.8
125.02402	1.9
129.01904	1.2
143.03481	2.8
147.04469	1.3
159.02968	5.4
161.03229	1.5
161.04543	18.3
165.05576	1.2
170.97623	0.7
179.05647	1.3
187.03938	0.8
189.86487	0.7
213.97696	0.7
229.24913	0.9
242.27219	0.8
359.28201	0.8
378.93378	0.9
408.75830	0.8
441.33951	1.1
443.64691	0.7
473.36310	4.6
474.36481	1.0
517.35547	1.2
529.22815	1.0
534.86340	0.8
635.41638	61.4
636.41827	13.6
797.46912	100.0
798.47229	26.7
857.49634	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	858.449
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.64239	1.1
70.17753	0.2
71.01382	1.0
73.02959	0.3
75.00869	0.2
77.68722	0.2
80.54978	0.2
80.71425	0.2
81.03476	0.7
83.01398	0.3
85.02962	0.5
87.00930	0.2
89.02446	0.3
90.25823	0.2
91.09093	0.2
96.98610	0.2
101.02474	0.5
113.02441	0.5
115.05553	1.3
117.07113	0.3
119.03514	0.2
123.04533	3.7
125.02461	0.9
143.03537	0.3
151.00388	0.2
161.04736	0.3
161.06088	0.6
163.04045	0.6
165.05605	0.7
167.03497	11.4
175.00305	0.2
179.07152	0.2
181.10800	0.2
187.04007	1.6
191.03514	3.0
193.01385	0.2
209.04610	0.8
229.17188	0.2
235.02519	0.4
242.05457	0.2
257.08127	0.3
271.06396	0.2
271.09772	0.5
272.10165	0.3
329.08780	1.5
361.16614	2.3
362.16910	0.3
397.07751	3.8
473.14621	0.6
474.15469	0.2
657.27356	0.2
795.45361	0.3
798.47101	0.6
799.47595	0.3
816.46466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.83350	0.1
71.01383	0.9
72.99308	0.2
73.02962	0.2
75.85310	0.1
81.49529	0.1
83.01385	0.2
85.02960	0.4
87.00883	0.2
88.98806	0.1
89.02457	0.3
96.96027	0.3
98.19864	0.4
98.97055	0.1
101.02450	0.7
113.02466	0.4
115.05544	0.2
116.92867	0.3
119.03568	0.2
119.05056	0.2
121.02982	0.1
123.04584	0.1
125.02412	0.2
151.39127	0.1
161.04594	0.2
161.06010	0.2
163.04018	0.2
164.35808	0.1
175.02516	0.2
179.05626	0.1
187.04060	0.5
191.72641	0.1
195.06560	0.1
211.98314	0.1
257.07932	0.1
271.09964	0.2
634.40692	0.3
635.41339	0.4
636.40765	0.5
798.47034	0.4
799.48615	0.8
858.45807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
60.51313	0.1
61.98831	100.0
62.98551	0.1
68.09715	0.1
68.99556	0.1
71.01393	1.0
72.99330	0.2
73.02939	0.2
75.00869	0.3
81.03474	0.2
83.01400	0.3
85.02960	0.5
87.63055	0.1
88.98840	0.2
89.02444	0.4
89.57106	0.1
90.73589	0.1
91.05534	0.2
95.01396	0.2
98.20670	0.2
99.04449	0.1
101.02439	0.6
109.02935	0.2
113.02477	0.4
115.05531	1.6
117.07122	0.3
119.03474	0.2
121.02991	0.4
122.03797	0.2
123.04531	2.4
125.02441	0.5
137.02478	0.1
147.04507	0.2
149.02486	0.2
151.00395	0.1
157.48044	0.1
161.04860	0.2
161.06136	0.9
163.04008	0.6
165.05583	0.6
167.03499	7.6
175.00449	0.2
175.02489	0.2
179.07176	0.3
187.04004	2.6
188.04297	0.2
191.03517	1.9
193.01442	0.2
193.05063	0.2
205.05081	0.1
209.04597	0.5
210.14282	0.1
214.05899	0.1
235.02513	0.3
241.05040	0.1
256.07471	0.5
257.08118	0.3
271.09824	0.3
329.08798	0.9
346.14194	0.2
361.16565	3.1
362.17200	0.4
397.07764	2.6
397.12518	0.2
407.54727	0.1
433.15356	0.2
445.53635	0.2
473.14410	0.6
510.27576	0.2
798.47174	0.5
799.49005	0.4
858.47791	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98547	0.2
68.46777	0.2
71.01387	0.9
71.55945	0.3
73.02960	0.2
79.17697	0.2
83.01379	0.3
85.02985	0.4
88.98852	0.3
89.02457	0.2
91.81950	0.2
99.92519	0.2
101.02448	0.6
113.02462	0.5
115.05531	1.2
116.92851	0.2
117.07125	0.3
123.04545	0.3
141.50554	0.2
151.99628	0.2
153.05550	0.3
161.04579	0.4
161.06090	0.5
163.03958	0.2
175.02518	0.3
187.03986	1.4
188.04373	0.5
208.97408	0.2
290.04782	0.2
326.21085	0.2
701.38525	0.2
798.47412	0.4
799.49054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98530	0.1
71.01408	0.5
71.03497	0.3
73.02959	0.1
83.20209	0.1
85.02963	0.2
88.98820	0.1
89.02426	0.2
90.60470	0.1
101.02464	0.3
102.05482	0.1
113.02457	0.2
113.96926	0.1
115.05576	0.2
125.02448	0.3
150.03285	0.1
161.06085	0.1
162.03285	0.3
163.04089	0.1
165.05566	0.2
168.00613	0.2
177.05502	0.2
180.04292	1.0
184.23985	0.1
187.04028	0.2
195.06635	1.2
213.05591	0.1
219.55809	0.1
241.05135	0.3
255.06596	0.1
256.07413	0.7
271.09738	0.9
279.08954	0.1
357.11862	0.6
358.59976	0.1
433.15121	0.4
635.41028	0.2
636.41235	0.1
799.48901	0.3
801.50623	0.1
858.34998	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	1.9
66.52357	1.7
70.10682	4.5
72.59904	1.8
75.54456	1.3
82.95419	19.0
84.00911	100.0
84.95126	6.7
95.95458	1.5
118.06539	1.3
149.95903	1.5
236.78140	1.4
253.09290	1.5
260.69333	1.4
269.20789	1.5
277.21738	45.3
278.22009	5.2
311.31415	1.7
381.61230	1.8
853.56543	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	859.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.9
67.01881	5.4
68.99830	1.2
69.53947	6.5
71.01361	5.4
72.99326	1.0
75.00820	1.0
83.01382	21.5
84.02172	2.5
85.02950	78.2
86.03283	2.1
87.00861	1.3
92.02921	0.9
97.02975	1.0
99.04504	1.9
101.02423	4.1
109.02926	1.9
111.00880	74.2
112.01239	2.8
116.92860	4.5
117.03442	3.2
119.05009	6.1
121.02953	2.7
121.78877	0.9
125.02440	2.9
125.53374	1.0
127.04076	2.8
129.01942	36.5
130.02324	2.0
132.76016	0.9
133.02945	10.5
135.04497	2.0
145.02951	12.5
147.04486	1.8
149.02423	1.2
161.02382	1.2
161.04541	2.2
163.00398	2.1
163.03979	11.1
165.01837	1.0
171.03004	1.3
174.03136	1.3
175.04037	1.7
177.01932	1.5
187.02466	18.9
187.07462	1.1
193.01385	2.8
201.01921	1.2
203.05562	2.7
205.03497	27.3
223.04547	2.6
231.06689	2.0
247.04559	8.5
253.05173	1.5
255.03212	1.1
265.05627	100.0
266.05899	5.7
275.05667	1.2
284.03268	6.5
285.04053	4.0
297.04034	14.9
298.04745	6.3
299.05530	15.8
307.08173	3.1
311.05566	2.9
327.05066	76.7
328.05460	6.7
339.05151	2.6
351.07071	2.6
357.06113	18.2
358.06296	2.5
369.05966	1.4
411.09219	4.9
447.09314	69.0
448.09705	7.9
499.96390	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01717	0.4
61.98833	8.3
69.97761	0.4
71.01384	18.5
71.49117	0.3
72.99313	1.6
73.02953	0.8
79.89159	0.4
83.01395	1.0
85.02956	3.5
87.00860	1.5
89.02444	21.4
91.05547	1.5
95.01406	1.4
96.96004	1.0
101.02448	8.6
113.02442	7.2
114.02822	0.4
115.05537	40.4
116.05862	1.9
117.03427	1.1
117.07102	4.0
119.03503	7.5
121.02894	0.4
123.04547	3.2
131.03506	1.2
133.06575	0.4
136.13730	0.5
143.03510	2.3
143.05005	3.8
149.04547	0.7
161.04570	4.2
161.06084	8.6
163.04053	1.0
167.03523	0.8
179.05611	16.5
180.05876	0.7
187.04005	100.0
188.04318	5.5
188.05887	0.5
205.05042	2.4
230.33681	0.6
285.09787	0.8
317.44650	0.4
385.11328	4.3
405.14301	0.8
455.80597	0.5
473.14438	5.3
474.15097	0.8
491.15729	0.8
653.20874	7.9
654.21570	1.6
799.48389	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	859.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99299	0.4
61.69338	0.4
61.98830	100.0
63.99266	0.8
70.17180	0.4
71.01384	8.4
72.99320	0.8
73.02933	1.9
74.02684	0.4
75.18350	0.3
77.54156	0.4
82.80415	0.4
83.01404	1.5
85.02946	3.4
87.00872	0.9
88.98816	1.1
89.02453	3.3
91.05560	0.5
95.01357	0.8
96.96040	1.5
98.20688	1.4
99.00872	0.8
101.02437	4.8
108.02159	0.7
109.02920	0.5
112.69634	0.4
113.02451	3.3
115.05561	1.8
116.92926	0.4
117.07083	1.9
119.03474	0.9
121.02959	0.8
123.04516	0.9
125.02419	0.7
133.06677	0.4
143.03487	0.7
149.06105	0.4
151.04033	0.4
159.03018	0.4
161.04587	1.9
161.06096	3.4
162.06549	0.5
163.04010	1.4
165.05579	0.8
167.03662	0.5
167.07155	0.6
177.05551	0.8
179.05688	1.0
180.04260	1.2
187.04019	3.5
187.18216	0.4
188.04466	0.5
192.85249	0.4
193.05186	0.5
195.06770	0.9
205.05119	2.1
213.11360	1.2
245.62965	0.5
256.07568	0.7
257.08170	0.6
259.09818	0.5
271.06339	0.4
271.09708	0.7
285.04108	0.7
312.20917	0.4
385.11401	1.3
421.14282	0.5
453.28635	0.4
461.24225	0.5
551.36377	0.5
591.17157	0.7
592.17877	0.5
637.43542	0.4
753.23236	0.9
799.48364	14.9
800.49091	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	859.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98527	0.5
63.99272	0.7
71.01381	8.7
72.99318	0.8
73.02943	2.0
75.00887	0.6
83.01405	1.4
85.02951	4.2
87.00894	1.2
88.98826	0.8
89.02430	2.5
95.01414	1.0
96.96024	0.9
97.02993	0.6
99.00865	0.7
101.02443	6.4
113.02450	4.1
115.05552	1.1
116.92889	0.8
117.07159	0.4
119.03475	0.5
121.03007	0.7
122.03729	0.4
123.04521	0.5
125.02451	0.5
129.68968	0.4
134.03777	0.4
137.02472	0.4
143.03532	0.6
149.02310	0.4
159.03015	0.6
161.04570	1.6
161.06123	1.1
162.03220	0.4
163.04045	0.4
165.05615	0.7
179.05650	0.5
180.04291	0.7
187.04103	1.6
193.05054	0.5
195.06657	1.1
205.05104	0.6
239.26076	0.4
241.05113	0.5
257.08044	0.6
429.60455	0.4
453.17178	0.5
551.36212	0.5
637.43195	0.9
745.03027	0.4
769.55554	0.4
799.48492	18.8
800.48743	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	859.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.01384	5.3
71.56524	0.4
72.99310	0.6
73.02946	1.4
75.00865	0.9
82.95418	0.5
83.01390	2.0
85.02938	3.2
87.00880	0.6
89.02430	1.9
95.01401	0.5
97.06585	1.0
97.82115	0.3
99.00864	0.5
101.02436	3.2
113.02448	2.2
115.05540	1.1
116.92827	0.7
119.03469	0.8
119.05039	0.6
121.13997	0.3
134.03711	0.3
143.03598	0.5
145.03000	0.3
161.04593	0.7
161.05998	0.6
162.03252	0.6
163.04063	0.6
165.05557	0.4
174.01761	0.6
175.02505	0.6
187.04004	1.5
256.07425	1.2
271.09811	1.6
292.83090	0.3
339.06976	0.4
430.45245	0.4
433.14877	0.7
543.14587	0.5
637.43146	1.0
647.94556	0.4
656.30658	0.4
799.48419	10.9
800.48541	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	859.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	24.0
71.01001	2.0
71.01382	39.5
71.56831	1.8
72.01683	1.2
73.02945	13.6
75.00872	1.5
75.78224	1.2
83.01389	8.0
85.02956	21.9
87.00877	4.5
89.02455	9.6
91.05531	4.9
95.01395	2.8
95.63893	1.0
96.96008	3.0
97.06568	1.5
99.00887	4.8
101.02450	26.4
101.10376	1.2
113.02456	17.8
115.05534	3.8
116.92822	2.2
117.07099	5.4
119.03495	3.2
123.04520	12.1
125.02397	3.1
131.03499	1.1
133.06624	6.4
143.03476	1.6
159.02925	2.0
161.04530	7.9
161.05869	8.6
162.90323	1.3
163.04019	9.2
179.05594	1.4
180.04337	2.2
187.04007	20.4
188.04414	1.9
193.05070	1.4
205.05023	4.1
249.69003	1.3
265.07053	1.9
325.09338	2.4
482.50198	1.4
491.15735	15.1
492.16101	2.3
637.43091	3.6
799.48535	100.0
800.48895	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	859.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.28454	1.9
71.01384	5.2
72.99298	0.4
73.02956	1.0
83.01393	0.9
85.02952	2.6
85.17689	0.3
88.98825	1.2
89.02422	1.4
93.88853	0.3
95.01399	0.6
99.00867	0.6
101.02457	2.9
102.47762	0.2
113.02464	1.7
115.05558	1.4
116.05866	0.4
117.07153	0.5
119.03496	0.4
123.04567	0.8
125.02457	0.3
125.95580	0.3
149.22406	0.3
161.04565	0.8
161.06094	0.9
163.04024	0.6
164.87686	0.3
165.05638	0.3
167.03496	1.7
179.05713	0.3
187.03995	1.9
188.04370	0.4
256.07660	0.4
257.08051	0.4
271.09485	0.3
306.35941	0.3
329.09018	0.3
357.26645	0.4
397.08008	0.3
799.48364	10.3
800.49097	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	860.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98538	0.2
71.01388	0.4
71.10713	0.1
71.11019	0.1
72.99309	0.1
73.02954	0.2
73.48550	0.1
77.42498	0.1
83.01393	0.1
85.02970	0.1
89.02448	0.2
94.98291	0.1
97.09204	0.1
99.00832	0.1
101.02441	0.3
110.32556	0.1
113.02452	0.2
115.05540	0.4
117.07127	0.1
137.02533	0.1
161.06122	0.3
163.03983	0.1
167.03546	0.3
179.05608	0.1
187.03993	0.5
214.27667	0.1
219.89516	0.1
253.78044	0.1
290.05093	0.1
473.14822	0.1
657.25275	0.1
697.34528	0.1
730.55432	0.1
797.45520	0.5
797.98907	0.1
798.45740	0.2
799.49329	0.1
800.49060	0.7
801.49054	0.2
860.45264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.2
63.53781	0.1
70.19106	0.4
71.01391	0.4
85.02985	0.1
89.02456	0.1
101.02448	0.3
113.02459	0.1
115.05527	0.1
117.07098	0.2
147.05960	0.1
173.24893	0.1
187.04025	0.2
539.36658	0.1
555.64374	0.1
753.29962	0.1
797.46387	1.7
798.46954	0.7
800.48920	0.2
860.45978	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13786	0.1
61.98830	100.0
63.99240	0.3
70.78580	0.1
71.01388	0.9
73.02949	0.2
82.76014	0.1
85.02509	0.1
85.02960	0.4
88.98782	0.2
89.02436	0.2
101.02472	0.3
105.01932	0.2
113.02425	0.2
115.05528	0.6
116.92850	0.2
117.07144	0.3
119.05130	0.2
123.04562	0.4
133.06566	0.2
137.02454	0.3
144.89618	0.1
161.04608	0.2
161.06114	0.6
163.03995	0.3
167.03485	0.2
187.04033	0.6
337.01691	0.1
524.78522	0.2
660.34607	0.2
701.81018	0.2
797.45459	0.3
800.49036	0.6
860.45996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01390	0.6
85.02962	0.4
88.98816	0.3
89.02443	0.2
98.19923	0.4
101.02459	0.2
108.58669	0.2
115.05560	0.4
139.60445	0.2
161.04498	0.2
161.06061	0.4
163.04041	0.2
172.36781	0.2
187.04054	0.6
190.61417	0.2
216.32788	0.2
283.44473	0.2
346.02725	0.2
357.78394	0.2
718.06573	0.2
797.45825	0.3
800.49078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	860.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98532	0.2
69.32573	0.3
69.33003	0.4
71.01372	0.5
73.02967	0.1
77.98905	0.1
85.02964	0.3
89.02448	0.2
101.02460	0.4
113.02455	0.1
115.05565	0.2
123.04537	0.2
149.02490	0.1
156.32782	0.1
161.04579	0.1
161.06058	0.1
165.05492	0.1
180.04295	0.1
187.04063	0.2
194.86186	0.1
195.06625	0.1
252.61981	0.1
255.02971	0.1
636.42676	0.1
637.42487	0.2
638.42450	0.2
665.77399	0.1
799.47412	0.1
800.48193	0.9
801.49530	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	22.6
69.03468	1.9
70.39919	1.3
71.01398	2.1
81.03477	1.3
83.01410	1.4
85.02969	1.1
88.13070	0.5
95.01416	1.4
95.44694	0.4
97.02972	2.2
98.20048	0.6
100.69607	0.4
101.02464	1.3
107.01414	1.1
109.02984	0.6
113.02448	0.9
121.02990	0.7
122.06131	1.0
123.00869	4.6
124.01668	11.7
125.02451	50.8
126.02814	1.8
131.57124	0.5
137.02457	1.5
149.99590	24.5
151.00394	3.5
152.07185	1.9
167.03529	0.9
168.00645	59.9
169.01366	5.8
180.04295	0.8
192.00716	0.7
193.01369	0.8
195.06606	0.7
211.02397	0.4
265.09601	0.5
271.10172	0.6
313.05618	9.1
331.06702	100.0
332.07031	5.8
355.06390	0.6
399.00311	1.0
399.05643	20.1
400.06024	1.7
434.14825	0.6
486.61328	0.5
692.90375	0.5
723.16357	0.9
861.30347	18.7
862.30249	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	862.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	0.1
61.98831	100.0
62.98523	0.2
63.99273	0.1
69.21536	0.4
69.21964	0.4
71.01392	0.5
73.02953	0.1
85.02935	0.2
89.02455	0.1
92.02994	0.1
101.02462	0.3
109.10345	0.1
113.02433	0.2
115.05553	0.2
116.92875	0.1
125.02419	0.1
161.04657	0.1
161.06059	0.2
163.03996	0.1
187.04039	0.2
211.13194	0.1
225.05721	0.2
240.07970	0.2
335.06073	0.3
399.16452	0.1
458.72775	0.1
461.24048	0.3
462.24344	0.2
530.23224	0.2
675.40405	0.1
799.47662	0.6
800.48145	0.2
862.46759	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	862.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98540	0.2
63.99248	0.2
71.01373	0.9
71.55497	0.1
71.55888	0.1
73.02950	0.3
78.95898	0.1
85.02965	0.4
87.00894	0.2
89.02473	0.2
99.00917	0.1
101.02461	0.4
113.02472	0.3
115.05538	0.3
117.07109	0.2
119.03423	0.2
125.02439	0.1
140.19360	0.1
148.50107	0.1
161.06078	0.2
163.06186	0.1
175.02510	0.2
187.04025	0.3
196.57762	0.1
241.04958	0.1
256.07449	0.2
271.09854	0.3
311.64948	0.1
345.90598	0.1
433.14999	0.3
718.29443	0.1
758.41022	0.7
776.41406	0.8
799.47241	0.5
800.48755	0.2
818.43372	0.2
862.46729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98537	0.4
63.99253	0.6
69.72376	0.7
71.01397	0.5
72.90475	0.1
73.02940	0.1
85.02979	0.2
88.98811	0.2
89.02404	0.1
95.01420	0.1
101.02471	0.3
113.02439	0.2
115.05534	1.1
117.07165	0.2
125.02406	0.3
154.89989	0.1
161.06064	1.0
163.04057	0.2
187.04001	1.5
275.75851	0.1
335.89212	0.1
434.34521	0.1
541.33258	0.1
580.38208	0.2
862.47638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98516	0.2
62.99248	0.2
63.99269	0.2
71.01373	1.1
73.02959	0.3
75.00893	0.2
85.02957	0.6
87.00894	0.5
88.98824	0.8
89.02447	0.3
98.20624	0.6
101.02457	0.8
108.02199	0.2
113.02438	0.4
115.00368	0.5
115.05513	0.8
115.22980	0.2
116.92870	0.5
117.07185	0.2
119.03483	0.1
119.05031	0.2
122.97436	0.2
125.02477	0.4
129.01888	0.2
131.72913	0.2
145.02879	0.2
148.22487	0.2
152.01219	0.3
153.01947	0.2
161.04659	0.3
161.06078	0.3
162.03218	0.2
163.04016	0.5
165.05553	0.3
174.01801	0.2
175.02507	1.6
179.03587	0.2
187.03951	1.0
195.06667	0.3
203.16307	0.1
229.79239	0.2
261.42422	0.2
264.61313	0.2
441.71970	0.2
473.14783	0.2
704.26825	0.2
802.49847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.3
63.99252	0.1
71.01379	0.4
71.55972	0.1
85.02947	0.1
88.98820	0.3
89.02431	0.1
101.02470	0.2
113.02444	0.1
115.00387	0.1
115.05562	0.3
117.07169	0.1
122.62674	0.1
125.02510	0.1
161.06076	0.2
163.03932	0.1
175.02525	0.2
187.03928	0.4
241.05263	0.1
241.13968	0.1
271.09735	0.1
282.01074	0.1
529.22504	0.1
539.17371	0.3
748.79779	0.1
862.45703	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	862.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98534	0.2
63.99265	0.4
70.46157	0.1
71.01390	1.0
73.02954	0.3
83.01380	0.2
83.61451	0.2
83.62024	0.2
85.02969	0.3
88.98829	0.5
89.02445	0.4
95.01384	0.2
101.02454	0.5
108.02209	0.2
113.02454	0.4
115.05545	0.5
116.92901	0.4
123.04543	0.3
125.02479	0.3
143.03523	0.2
151.04013	0.3
152.01231	0.2
153.05531	0.3
161.04707	0.2
161.06088	0.3
163.04051	0.2
165.05585	0.3
168.00648	0.2
175.02495	0.4
187.04083	0.6
195.06673	0.2
256.07449	0.2
271.09863	0.2
285.04092	0.4
331.06754	0.3
342.77371	0.2
357.13364	0.2
361.18906	0.2
496.49429	0.2
802.50818	0.2
803.45959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	862.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98533	0.3
62.99264	0.2
63.99260	1.1
71.01389	0.6
75.00901	0.1
80.17754	0.1
83.54285	0.1
85.02984	0.2
85.09875	0.1
89.02444	0.3
95.01355	0.1
101.02476	0.4
113.02449	0.3
115.00390	0.3
115.05521	1.0
116.92858	0.1
117.03520	0.1
117.07132	0.4
123.04549	0.2
124.30579	0.1
125.02456	0.3
133.06587	0.2
145.87372	0.1
152.47169	0.1
161.04674	0.2
161.06091	0.9
163.04037	0.5
165.05533	0.2
175.02496	0.2
187.03981	1.3
205.05095	0.2
227.07109	0.1
241.04951	0.2
256.07443	0.2
271.09644	0.2
433.15140	0.2
473.14438	0.1
493.01892	0.1
539.17261	0.2
589.21228	0.1
799.46826	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01711	0.4
60.85962	0.2
61.98831	100.0
62.60102	0.2
62.98544	0.4
63.11578	0.3
63.99246	0.6
68.99825	0.4
69.03443	1.6
71.01380	1.8
71.12875	0.7
73.02950	2.4
80.25529	0.3
81.03468	0.8
83.01393	1.2
85.02953	1.3
86.33598	0.3
87.00896	0.6
88.98820	0.5
89.02444	0.4
90.11450	0.3
91.05544	0.6
95.01392	0.4
97.02951	1.9
98.61867	0.3
99.00875	0.5
101.02456	2.0
113.02454	1.5
115.00385	0.3
115.05537	29.1
116.05882	1.3
117.03466	1.1
117.07113	4.9
119.03482	0.7
119.05042	0.9
121.02959	0.3
123.04520	2.3
124.49530	0.3
125.02446	7.1
133.06593	1.2
143.03488	1.1
143.05054	2.9
145.02966	0.4
158.56679	0.3
161.06079	18.3
162.06433	0.9
163.04008	1.5
167.03516	0.4
175.02473	0.9
185.04645	0.7
187.03999	43.0
188.04333	2.3
205.05075	1.1
211.13370	0.5
215.68645	0.3
248.87358	0.3
268.52853	0.4
341.10623	0.3
365.12482	0.7
387.12723	0.4
441.26001	0.3
515.15509	2.4
557.16534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
74.38684	1.2
77.48896	1.3
78.95889	1.7
83.01372	1.9
89.17219	1.4
90.74507	1.2
93.03440	6.3
96.95998	4.2
98.20647	3.3
101.02464	2.3
101.94467	1.3
107.01402	2.3
108.02162	2.1
109.49359	1.4
113.02433	1.7
117.03492	1.6
121.02912	2.0
121.15567	1.5
123.04514	3.0
123.58239	1.7
124.01640	2.2
125.02454	12.2
132.02235	1.9
133.02921	1.5
134.03688	1.5
137.02422	5.6
145.02907	2.0
147.12921	1.5
151.00336	4.6
163.00418	2.5
164.01152	30.8
165.01868	5.5
175.03949	2.2
178.48070	1.4
178.99771	1.5
181.48256	1.6
183.04489	1.7
187.09642	1.6
199.03993	12.1
211.03955	2.4
214.50481	1.4
223.04051	2.7
225.01926	4.0
226.02705	1.8
227.03500	39.0
228.03992	3.9
229.05034	3.3
239.03455	2.8
240.04259	1.5
241.05081	1.7
243.02982	62.3
244.03183	4.1
252.03973	1.9
253.04939	7.0
254.02011	1.7
255.02989	79.0
256.03540	10.4
257.04605	1.8
267.03003	14.9
268.03604	1.8
269.00854	12.8
269.04568	3.7
271.06134	23.4
272.06454	1.9
279.03156	1.6
281.00873	2.3
281.04294	1.8
282.01706	2.3
283.02515	14.1
284.03256	100.0
285.03925	24.3
293.00998	1.9
295.02451	10.0
296.03226	5.4
297.03937	4.8
307.02371	4.1
309.00565	1.6
309.03763	2.9
311.05411	2.8
319.05960	1.8
319.22568	1.5
324.02573	5.5
325.03430	2.5
327.04987	2.9
335.05600	2.1
347.05823	2.2
361.07135	14.1
375.05200	2.1
379.08105	2.5
387.05078	3.8
403.04156	7.9
404.05289	3.6
415.04565	1.9
429.08194	1.6
432.04742	2.0
445.05356	4.4
449.10843	2.7
449.74719	1.5
488.65463	1.6
521.09137	1.8
538.08826	2.7
565.11206	2.8
593.15125	68.5
593.24664	3.4
594.15509	8.3
594.23633	1.5
633.14197	4.1
685.15436	3.8
711.15948	2.4
729.16522	23.5
730.17261	4.5
739.18835	7.0
787.59363	1.6
847.20929	10.8
848.20422	1.8
865.21973	53.9
866.22504	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	865.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37717	1.9
69.38110	9.0
71.01385	3.4
85.02976	1.1
85.18952	0.9
95.01392	1.3
96.95979	1.7
101.02506	1.3
113.02422	1.9
147.45978	1.0
151.00336	1.9
170.24411	1.1
220.47908	1.0
227.03490	33.6
228.03854	3.1
229.05106	2.1
255.02965	45.4
256.03690	6.2
277.35437	1.4
284.03247	55.6
285.03937	22.3
313.16684	1.7
327.05069	1.5
331.17578	1.4
373.18689	2.9
447.09311	100.0
448.09583	11.7
476.41916	1.2
695.11548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	33.7
71.01407	14.7
71.25529	12.4
83.01389	10.8
86.58355	9.6
89.02455	24.2
113.02477	13.0
116.92894	17.8
160.99788	11.0
171.10289	100.0
177.07582	9.8
179.05688	13.4
216.29463	9.3
277.21765	70.8
345.83469	10.2
379.12741	20.0
397.13516	76.6
439.45447	10.9
514.04382	10.6
545.69720	10.8
569.24268	15.8
865.43408	46.7
866.43738	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	865.435
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	56.8
66.99423	10.6
70.44480	11.2
71.01360	17.3
71.56133	15.5
71.59557	10.9
101.02438	14.6
171.10260	100.0
204.23866	12.8
235.08302	12.6
241.59682	12.6
262.79364	11.2
277.21783	68.7
280.81079	11.5
289.74280	10.5
293.52090	11.3
379.12411	22.7
397.13498	67.3
865.43829	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	15.0
63.27769	1.8
70.21581	7.0
71.01380	6.0
73.29696	2.7
89.02454	4.1
101.02437	4.2
111.08152	5.2
113.02406	3.4
116.92860	8.3
117.92860	2.8
126.60435	1.9
169.12344	3.2
197.11819	32.8
209.15468	4.2
211.13422	4.4
235.08205	8.7
253.09273	14.8
263.20065	2.4
273.18475	2.1
277.21729	100.0
277.24783	5.3
278.22046	11.6
291.19714	19.4
292.19980	2.8
309.20752	48.7
310.20978	3.1
451.52350	2.8
551.61591	2.7
704.96942	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	866.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05748	0.2
61.98830	100.0
62.98539	0.2
67.64008	0.1
71.19027	0.2
116.92873	0.3
133.03648	0.1
230.99535	0.1
277.21637	0.1
287.62735	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	867.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00335	2.6
71.01371	3.1
81.03411	2.0
83.01398	4.0
85.84042	1.8
93.03443	18.7
95.01388	2.0
97.02940	3.0
107.01414	4.1
110.93945	1.8
117.03435	3.3
119.05023	100.0
120.05324	3.3
121.02922	6.2
125.02436	24.4
133.02971	2.8
135.04527	3.3
137.02406	5.8
143.05042	13.7
145.02924	11.0
149.02415	7.0
151.00368	8.5
159.04552	3.3
161.02388	2.5
161.06052	2.4
163.00375	6.6
163.03966	2.9
164.01105	3.5
165.01903	7.7
167.03479	7.0
177.01927	4.3
185.06076	4.2
187.03958	8.7
189.01883	2.7
193.01407	18.7
199.03967	3.0
201.01891	3.1
205.01469	2.8
209.06084	3.3
215.03561	2.6
219.02823	2.4
223.07582	2.4
225.05566	3.5
225.09122	2.1
227.07051	2.7
229.04945	2.9
231.02904	5.5
237.05568	2.4
241.05067	3.5
243.02960	5.1
251.07111	3.2
253.05115	12.0
255.06570	2.7
265.05072	3.5
267.02933	3.4
267.06494	6.1
269.04614	2.2
269.08209	3.9
271.06055	15.0
273.04022	2.4
277.05319	2.0
279.02963	2.1
281.04428	2.5
283.06000	4.3
284.06451	2.7
285.04111	2.7
291.06506	2.4
293.04822	3.9
293.08136	4.4
295.03036	2.3
295.06070	11.1
297.03995	5.4
311.01929	5.9
312.02448	2.2
313.03781	3.6
313.07153	46.8
314.07465	3.7
321.04199	16.2
335.09119	4.7
337.07135	3.5
343.08279	23.1
344.08881	2.3
351.08704	2.7
361.07065	5.6
363.08630	2.1
379.08337	5.2
393.09540	3.1
403.07990	7.7
417.09787	2.6
421.09125	3.6
431.07449	2.8
433.11484	15.0
434.11340	1.9
441.09976	10.1
447.07166	6.4
449.09058	2.5
454.01248	2.0
458.09637	2.2
471.10394	3.2
481.13025	3.3
499.13895	6.1
523.13867	2.1
525.12610	2.4
539.10669	2.2
567.12885	26.2
568.12885	4.8
569.13257	3.5
597.14038	5.4
669.15594	4.5
687.17126	32.9
688.17419	5.8
747.19385	17.8
748.19342	5.1
777.19696	3.7
867.23505	96.0
868.23889	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	5.0
65.00317	5.5
69.20177	2.5
69.20381	15.8
69.20792	10.3
71.01392	3.4
73.02940	2.5
78.86881	2.4
81.03450	4.9
83.01382	6.0
93.03460	16.7
95.01380	3.1
97.02920	6.9
101.02448	2.3
107.01391	7.7
109.02940	4.6
113.02443	2.9
117.03510	3.9
119.05033	100.0
120.05352	4.4
121.02962	5.6
123.04492	4.5
125.02428	28.7
133.02954	3.3
135.04533	2.7
137.02426	8.8
143.05016	7.7
145.02937	10.0
149.02409	7.7
151.00426	15.3
157.06651	2.2
161.02487	2.8
161.06081	4.7
163.00359	9.9
163.04033	4.9
164.01173	7.5
165.01897	10.3
165.61011	2.6
167.03459	5.7
177.01924	8.0
179.03484	3.8
179.05634	2.3
185.06081	5.9
186.03268	3.2
187.03952	7.7
193.01459	22.2
194.01778	3.0
201.01921	3.9
205.01324	2.8
209.06114	3.0
223.02441	7.0
227.07191	5.1
229.05052	5.4
231.02980	4.1
241.05063	5.0
243.03094	4.3
253.05144	14.6
255.02962	3.8
265.04938	3.8
267.02814	2.6
267.06683	3.0
269.04034	3.0
269.08221	4.3
271.06064	22.1
273.04041	3.8
279.03326	3.1
283.02686	3.7
283.06030	5.8
284.03000	3.0
285.03903	6.2
293.04663	3.8
295.06052	8.5
296.07281	2.7
311.01898	7.8
313.07184	90.3
314.07532	6.4
319.05930	3.0
321.04153	18.9
343.08215	49.8
351.04993	3.2
355.08270	3.5
361.07169	4.1
363.08746	3.8
372.28308	2.4
379.08441	5.6
393.09872	3.5
403.08270	6.2
415.09924	5.0
431.07516	6.8
433.11411	26.5
441.09750	8.3
442.09744	2.6
447.07108	4.7
471.10544	2.8
499.14133	4.5
551.11609	5.7
567.12964	27.1
569.12695	10.4
597.13739	9.4
621.16272	3.8
669.16522	4.6
687.17181	30.2
688.18030	4.4
747.19452	25.9
748.19519	6.1
777.20276	8.4
778.21051	2.9
849.23199	3.8
867.23456	81.8
868.23987	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	867.235
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.4
65.00333	5.5
69.25035	18.5
73.54709	1.7
74.92454	1.9
81.03465	3.2
83.01397	5.6
93.03458	17.0
95.01359	1.9
97.02931	2.6
101.02492	3.5
105.03461	2.5
107.01395	5.5
109.02975	2.4
113.02461	2.1
117.03467	4.4
119.05029	100.0
120.05318	3.8
121.02939	5.3
123.00858	3.4
123.04537	3.5
125.02452	28.0
135.04503	4.0
137.02428	7.4
143.05029	10.3
145.02939	8.6
149.02446	7.2
151.00378	16.6
151.03989	2.7
155.03503	1.9
161.06030	2.9
163.00360	6.1
163.03972	4.0
164.01149	5.7
165.01944	9.4
167.03436	5.0
169.06697	2.4
177.01924	10.1
178.92290	1.9
185.06084	4.3
187.03972	8.7
188.04462	2.0
189.01895	2.5
191.03471	2.8
193.01422	22.4
199.03897	2.0
201.01920	2.6
205.01392	3.0
207.03049	2.2
209.06119	2.9
215.03609	2.4
219.02957	4.8
223.02373	4.8
227.07153	3.3
229.05029	3.8
231.03038	3.0
237.05421	2.4
239.03391	2.1
241.04988	2.7
243.02945	5.3
253.05107	12.6
265.04971	4.5
267.03021	3.6
267.06592	3.3
271.06097	14.9
273.04156	2.3
283.02386	3.3
283.06146	3.6
285.04205	3.8
293.04575	6.1
295.06012	7.5
309.03940	2.7
311.01825	9.4
313.07172	87.3
314.07568	4.6
321.04037	13.9
323.05487	2.1
325.07144	5.0
337.07153	4.3
343.08203	41.3
344.08530	2.6
351.08652	2.4
355.66452	2.2
361.07126	2.6
363.08835	2.7
391.08267	2.2
393.09653	5.3
403.08102	4.8
405.09909	3.3
415.10367	2.4
431.07462	5.7
433.11401	23.9
434.11716	4.3
441.09705	8.0
447.07382	3.9
449.08591	2.9
461.09009	4.1
471.10748	3.9
499.13739	5.8
523.13922	2.0
551.11859	7.6
552.13965	2.4
567.12970	21.8
568.12860	5.4
569.12946	7.5
570.13458	3.1
597.14117	6.2
598.13959	2.4
687.16986	21.9
688.18109	4.7
741.19812	2.5
747.19275	22.4
748.19385	6.3
777.20013	7.7
849.21851	2.9
867.23438	80.5
868.23816	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	867.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00319	2.8
69.48453	8.5
69.48882	5.6
71.01373	3.8
81.03465	3.1
83.01377	5.4
85.02969	2.8
93.03463	19.5
94.84917	1.8
95.01373	2.4
97.02965	2.3
98.02125	1.8
98.19796	4.0
107.01400	3.1
117.03471	4.3
119.05022	95.0
120.05333	3.6
121.02970	4.2
123.00906	2.1
125.02441	33.1
133.02866	1.9
135.04518	3.7
137.02423	7.0
143.05042	10.8
145.02965	10.7
149.02454	4.1
151.00375	13.9
152.00806	1.9
153.01962	2.6
157.06648	2.4
161.06136	2.6
163.00360	9.0
163.03984	4.1
164.01122	7.0
165.01900	8.3
167.03445	4.6
167.04893	2.2
170.47821	2.0
177.01878	4.5
181.06554	3.1
185.06042	4.8
187.03972	8.3
189.01923	2.6
193.01396	16.1
199.03963	3.4
199.07565	3.2
201.01918	3.0
209.06076	5.1
219.02963	4.0
223.02415	2.8
224.04686	2.6
225.05537	2.8
226.02751	2.5
227.03503	2.8
227.07054	4.0
228.04498	2.2
229.05057	4.6
231.02913	5.8
241.05061	4.4
243.02800	4.1
253.04997	24.4
255.02931	5.0
265.05127	2.5
267.02914	3.2
267.06512	4.3
269.08145	3.1
271.06122	17.7
273.04181	2.9
281.04272	2.3
283.02402	2.2
283.06232	4.4
285.04123	3.0
293.04468	3.2
295.05991	11.3
297.04114	4.2
311.01804	3.5
311.05042	2.3
313.07144	53.8
314.07361	3.5
319.06122	3.1
321.04156	11.1
321.07211	2.3
335.09244	2.8
337.07114	3.2
343.08258	28.3
344.08578	3.1
351.05045	2.4
351.08856	2.5
361.07278	6.3
379.08359	5.9
403.08270	6.3
405.10312	2.5
431.07895	7.0
433.11371	20.2
441.09805	11.1
442.10028	2.5
446.75061	2.0
447.06973	3.5
449.07892	2.3
460.08151	3.1
461.08728	3.1
471.10916	3.4
499.13977	8.4
523.14075	5.2
567.12958	27.6
568.13232	7.1
569.12805	4.7
597.13757	7.3
621.14923	2.4
669.15454	4.7
687.17218	36.6
688.17584	9.1
747.19299	13.3
748.19653	4.9
752.69086	2.2
762.11536	2.4
777.20862	4.6
833.82715	2.5
849.22083	3.0
867.23468	100.0
868.23730	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	867.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	46.6
69.03436	1.3
71.01382	32.6
71.55357	0.8
71.55704	1.0
72.99310	3.1
73.02943	8.5
75.00860	1.4
76.47382	0.8
83.01378	5.3
83.37022	1.0
85.02950	19.4
87.00884	2.0
88.98851	1.1
89.02452	12.4
95.01379	6.9
97.02940	0.8
99.00866	1.5
99.04490	1.1
101.02445	28.6
113.02452	39.3
115.05537	61.4
116.05853	2.9
117.03458	2.3
117.07114	6.1
119.03490	10.2
119.05052	1.2
123.04546	2.2
125.02426	1.9
131.03506	3.6
133.06598	1.2
139.00421	1.2
143.03464	5.7
143.05002	4.0
147.04521	40.6
148.04836	1.6
149.04512	4.3
161.04561	9.3
161.06065	16.5
165.05540	1.0
175.02441	2.0
187.03999	100.0
188.04337	5.9
193.22127	0.8
205.05122	1.6
221.06682	2.4
235.27596	1.1
240.17590	0.8
324.75308	0.9
487.30692	1.0
585.92059	1.0
645.20154	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	867.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.85622	1.4
61.98833	14.6
65.12326	1.3
69.57100	1.7
71.01375	4.9
74.02469	33.3
82.28649	1.5
84.57248	1.7
85.02961	2.1
89.02435	4.2
96.03293	4.8
97.04087	10.1
101.02448	3.8
113.02431	2.2
135.89983	1.6
143.04613	3.5
232.13371	3.8
246.97556	1.7
249.19676	2.4
250.14418	2.2
253.09232	2.1
275.17728	4.9
277.21704	30.2
278.22128	3.9
281.18497	2.1
293.18701	46.0
294.19031	2.6
305.37949	1.8
608.03442	1.9
767.95013	2.1
833.48022	37.6
834.47992	8.0
867.46869	100.0
868.47034	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	867.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	20.5
62.53722	1.6
63.64822	1.7
65.43445	1.6
71.01376	17.9
71.19267	4.1
73.02931	3.7
85.02940	5.1
87.00880	5.4
89.02435	12.9
97.02943	2.4
101.02433	13.1
113.02460	6.6
116.92865	2.6
119.03511	2.5
125.02444	6.1
143.03490	1.9
161.04533	4.2
171.10271	100.0
172.10587	6.2
179.05551	3.2
187.38757	1.9
208.32536	2.2
235.08220	5.1
249.66084	2.3
255.23299	63.6
256.23669	3.7
268.90164	1.8
277.21808	2.5
280.03546	1.8
324.11047	1.8
373.18002	2.4
379.12476	19.5
397.13498	37.7
415.14597	6.6
528.70862	1.8
551.23633	3.2
569.24615	3.2
635.37726	2.8
653.36908	3.0
671.95294	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	868.382
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98525	0.3
63.45433	0.2
64.13561	0.2
67.50571	0.2
71.01379	1.0
71.56303	0.3
72.99314	0.2
73.02935	0.2
74.65347	0.2
82.06451	0.2
83.01379	0.2
85.02968	0.3
88.98814	0.7
89.02444	0.5
99.00884	0.2
101.02451	0.5
113.02472	0.5
115.05543	0.8
116.28527	0.2
145.66817	0.2
153.05638	0.2
161.04610	0.2
161.06053	0.4
175.02538	0.3
187.03990	1.1
199.96355	0.2
202.25415	0.2
215.45825	0.2
271.10211	0.2
289.62463	0.2
473.15030	0.4
643.33392	3.8
643.43884	0.3
644.33783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.2
70.11416	0.2
70.11828	0.3
79.95751	0.2
88.76221	0.1
113.80254	0.1
153.22366	0.1
279.14087	0.1
697.68396	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	12.5
65.00349	1.8
68.99828	1.2
69.33770	5.6
69.34203	5.3
70.08521	1.6
71.01370	4.2
73.02935	1.7
81.03458	8.8
83.01405	5.2
83.79451	1.4
85.02963	3.3
87.00877	1.8
89.02450	1.8
91.05553	2.3
93.03460	13.6
95.01368	2.4
95.05042	7.7
95.05540	1.2
97.02955	5.7
99.04520	5.2
101.02468	2.1
102.95409	1.5
112.05900	1.2
113.02464	2.3
114.72562	1.3
115.05536	3.1
117.07093	2.1
119.05016	13.7
123.00920	3.2
123.04533	12.2
124.01656	3.0
125.02448	28.4
129.77011	1.5
133.06624	1.9
135.04462	2.5
137.02423	7.3
137.06100	9.1
138.03235	2.9
139.04010	5.4
149.02434	1.8
151.00435	2.4
153.05606	1.8
155.03503	1.6
161.02414	2.2
161.04637	1.6
161.06073	5.7
163.04047	4.4
164.04797	1.5
165.05556	6.1
167.03491	53.8
168.03836	2.2
178.02666	1.4
179.03537	10.5
181.05031	1.8
187.03999	5.6
189.05569	3.6
191.03455	1.9
193.05019	2.4
197.04559	7.5
204.28246	1.2
205.05006	1.9
209.04515	16.3
209.06293	1.5
211.07579	1.7
221.04568	2.6
239.05615	3.2
241.05150	1.8
253.05135	3.9
255.06653	10.1
256.06882	1.7
271.06140	2.8
273.07651	16.8
274.07907	1.7
276.40414	1.4
283.06058	1.4
285.07663	5.0
295.06152	5.5
301.09256	1.4
309.07632	1.4
315.08731	100.0
315.90720	1.7
316.09039	9.4
327.08929	1.8
337.07169	2.1
339.30380	1.4
345.09787	59.3
346.10059	7.4
357.09671	2.5
377.10071	2.8
379.08423	2.1
399.10873	1.6
417.11780	7.9
419.11588	1.6
435.12930	9.7
443.11423	4.1
501.15433	3.2
506.67456	1.3
563.17792	7.4
569.14520	24.0
570.14716	3.1
599.15594	12.1
671.18152	3.6
690.19348	1.5
743.21948	1.5
749.20679	14.8
750.20886	6.4
779.22253	6.9
869.24432	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	869.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03490	1.7
69.53223	3.0
69.53627	10.7
71.01380	5.3
83.01410	11.0
85.02948	2.5
89.02444	5.4
91.32790	2.0
93.03455	28.3
94.85258	1.7
95.01369	3.9
97.02959	6.5
102.21835	1.9
107.04978	2.0
108.02123	2.5
109.02956	7.6
117.03488	3.3
119.05033	7.5
121.02931	3.8
123.04543	3.2
125.02450	89.1
126.02705	2.5
130.35335	1.7
133.02940	7.3
134.03720	4.7
135.04535	23.8
137.02444	100.0
138.02725	2.7
143.05034	5.2
145.02902	2.5
149.02420	8.2
151.04047	2.1
159.04489	2.3
161.02443	2.6
163.00365	5.1
163.03989	9.0
164.01166	33.5
165.01913	11.8
166.02495	2.1
167.04933	2.5
169.06584	3.2
171.04546	3.0
175.04004	6.2
177.01929	4.2
180.05850	1.9
185.06064	7.6
187.03970	7.0
187.07584	5.2
189.05550	3.7
199.03992	5.1
201.01849	3.7
201.05493	2.7
203.07111	4.3
205.08560	1.9
209.06007	7.5
211.03972	3.9
211.07578	2.8
213.05453	2.6
217.05058	2.4
223.07532	2.1
225.05661	5.4
227.03462	3.1
227.07130	3.8
228.04234	5.0
229.05052	10.4
229.08633	4.7
240.04347	4.0
241.05019	4.6
243.02896	2.0
243.06555	2.8
249.33287	2.1
253.05058	88.2
254.05432	9.9
255.02908	4.8
255.06601	19.8
256.03763	3.4
256.06921	2.1
265.05118	4.5
267.06543	5.6
268.03674	3.3
269.04480	2.8
269.08066	4.2
270.05408	4.1
271.06110	50.5
272.06482	6.3
273.04172	3.3
273.07678	19.6
274.07910	2.9
281.08115	4.1
285.03970	3.3
291.06668	2.0
293.08252	14.8
294.08606	2.3
295.02982	2.8
295.06000	12.3
297.04062	2.8
305.08350	9.0
323.09351	3.1
335.09155	5.5
347.09277	6.1
373.07230	6.3
377.10547	2.5
383.09259	3.8
385.07208	4.0
391.08157	10.8
403.08264	4.0
423.12228	5.0
433.11423	34.0
435.06982	4.3
435.12955	84.5
436.13571	11.5
441.13458	3.9
465.13251	3.2
483.14319	7.6
491.11533	2.2
509.12134	4.7
527.13898	6.5
553.13477	4.8
571.14514	12.4
572.14966	2.7
583.14636	2.2
645.19769	8.3
671.17621	34.0
672.17902	5.4
689.18683	73.5
690.19434	13.9
696.79938	2.5
743.22095	4.4
869.25061	19.5
870.25696	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	869.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80472	1.3
63.86347	1.4
69.79980	8.1
71.01371	2.9
83.01390	11.3
85.02906	1.7
89.02470	2.6
93.03466	15.7
95.05089	1.5
97.02960	8.7
101.02415	1.9
107.05027	1.9
109.02945	6.2
114.00059	1.4
114.30758	1.6
117.03480	1.6
119.05007	2.7
121.02961	2.1
123.04502	4.0
124.01671	1.9
125.02443	31.9
126.02731	2.0
130.24799	1.8
133.02940	4.3
134.03729	4.9
135.04558	14.2
137.02444	92.6
138.02711	1.8
139.03914	2.5
143.05072	2.8
145.06551	2.2
149.02412	14.1
151.04002	1.5
157.06581	2.3
161.02477	2.5
163.03981	2.0
164.01138	27.1
165.01926	9.3
169.06464	2.7
171.04518	4.3
175.03940	4.6
177.01883	4.1
181.06683	2.4
185.06012	5.7
187.03999	2.9
187.07600	3.8
189.05528	3.2
199.07655	1.4
203.07118	2.1
205.05017	2.1
205.08725	2.1
209.06064	2.8
211.07669	5.5
213.05473	2.6
217.05032	2.3
224.04980	2.3
225.05522	3.3
227.07019	2.6
228.04227	3.5
229.05084	2.1
229.08644	4.6
243.06441	2.0
253.02412	3.1
253.05058	57.4
254.05426	4.4
255.02985	4.1
255.06580	23.9
265.05103	3.1
269.04666	2.5
269.07800	1.6
270.05518	2.1
271.06116	33.7
271.08743	1.3
272.06586	2.9
273.04553	2.3
273.07635	18.8
274.08099	2.1
291.06506	1.8
293.08160	5.1
295.06091	4.2
329.08359	2.1
335.09064	1.8
347.09238	1.7
373.07095	2.1
379.08157	2.3
383.09024	2.9
391.08136	3.2
403.08044	1.9
423.12439	1.7
433.11383	18.8
434.11646	2.6
435.12909	100.0
436.13284	11.7
527.13574	3.1
553.13208	2.9
571.14508	8.7
572.14740	2.1
597.67218	1.5
603.50946	1.8
645.19189	2.5
657.21118	1.8
671.17554	10.1
672.18689	1.5
689.18726	20.7
690.19745	2.0
743.22083	3.8
869.24908	15.2
870.24951	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	869.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	2.5
71.01387	5.7
71.20850	4.1
71.22830	1.6
83.01385	9.3
85.02946	1.9
89.02433	3.2
93.03462	15.7
95.01336	2.1
96.95978	2.4
97.02943	5.9
101.02464	2.8
108.90173	6.1
109.02961	6.4
110.89914	7.0
117.03410	2.3
119.04998	3.9
123.04507	2.1
125.01542	2.2
125.02444	32.9
133.02904	3.2
134.03784	4.7
135.04515	16.5
137.02438	77.1
138.02869	3.0
143.05061	4.4
147.04440	2.5
149.02469	10.9
157.06543	4.7
157.08499	2.0
161.02451	2.4
164.01151	22.4
165.01942	14.1
169.06593	2.6
171.04533	4.0
171.97166	2.0
175.02513	2.8
175.03934	3.2
177.01929	4.9
181.06592	2.2
185.06149	5.4
187.07616	4.8
189.05556	3.2
203.07196	3.2
205.08643	2.8
209.06003	5.7
211.07617	3.0
225.05510	4.1
227.07173	2.4
229.08647	3.3
253.05049	50.6
254.05363	5.8
255.02760	2.9
255.06642	21.5
267.06592	4.1
271.06082	35.5
272.06543	3.8
273.07681	18.0
293.08307	5.4
295.06030	4.0
377.08401	5.0
379.08240	4.1
383.09088	2.9
391.08170	2.6
433.11514	19.3
434.11743	3.5
435.12946	100.0
436.13190	10.3
445.36945	2.2
553.13251	3.3
571.14478	9.2
572.15131	2.3
671.17877	10.3
689.18524	17.8
690.19110	3.3
741.30505	2.3
869.24756	14.7
878.56616	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	869.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75525	0.5
60.99305	0.5
61.98830	4.8
67.01869	0.5
68.99818	1.0
69.03458	1.8
71.01382	2.3
73.02938	0.9
77.68063	0.5
81.03459	10.0
83.01385	4.7
84.88189	0.5
85.02943	0.6
88.98795	3.0
89.02444	1.2
93.03462	10.5
93.63439	0.5
94.03814	0.5
95.01379	2.0
95.05031	8.0
96.96616	0.4
97.02960	6.1
98.20721	1.0
99.04525	3.3
101.02451	1.2
107.01406	0.9
107.05043	1.0
109.02947	1.5
111.04520	2.2
113.02457	2.0
113.81755	0.4
117.03423	0.5
119.05030	9.4
120.05430	0.5
121.02955	2.3
122.03707	0.8
123.00838	0.7
123.04525	17.5
125.02451	27.4
133.02933	1.1
134.03719	0.5
135.04553	2.6
137.02440	4.9
137.06091	9.9
139.04015	4.0
141.00977	0.5
141.05536	0.9
145.02982	1.1
147.04529	1.7
149.02420	1.5
149.06110	1.0
150.03108	0.6
151.00346	1.1
151.03976	1.6
155.03500	1.7
163.00394	0.7
163.03987	2.4
163.07626	1.2
164.01093	1.0
165.01941	0.8
165.05579	6.9
166.02748	1.5
167.03496	52.1
168.03833	2.3
171.04488	0.7
175.03882	1.0
177.01874	1.4
177.05585	1.2
178.02673	0.6
179.03505	12.0
180.04178	1.1
181.05045	1.9
181.06552	0.8
185.06105	0.5
189.05548	6.0
191.03456	1.6
193.01385	0.7
193.05016	1.9
197.04567	6.5
201.01958	1.2
203.03673	0.8
205.04944	1.2
206.02216	1.0
207.02994	0.6
209.04538	13.3
209.06323	1.1
213.05612	0.8
217.05153	0.8
221.04625	3.3
225.09203	0.9
227.07263	0.7
229.04967	2.2
231.06519	0.7
233.04678	0.7
239.05591	1.9
241.04987	1.1
247.06078	0.9
251.07152	0.7
253.05089	4.0
255.06667	1.3
257.04587	0.7
259.06000	0.7
267.06506	1.6
269.08295	0.7
271.06046	2.0
271.09955	0.7
273.07690	16.2
274.08072	1.5
282.91153	0.5
283.06250	0.6
285.04602	0.8
285.07718	3.6
293.08041	1.2
295.06122	4.5
296.06558	0.5
297.04147	0.7
309.07697	0.8
313.07233	1.0
315.08740	100.0
316.09061	9.5
323.09290	0.7
327.05316	0.6
327.08649	3.0
335.09222	1.2
337.06949	1.2
345.09781	61.5
346.10114	5.7
353.10083	1.2
357.09818	2.4
375.10992	1.5
377.10233	2.0
389.10031	0.6
395.11166	0.8
399.11005	1.0
407.11215	1.0
417.11871	8.0
418.11984	0.8
419.11313	1.7
433.10654	1.0
435.13043	8.8
443.11411	2.9
451.10336	0.9
463.10403	0.9
473.12582	0.9
483.14307	1.6
501.15536	2.2
513.15497	0.8
525.15619	1.2
531.16785	1.0
542.56976	0.6
551.13757	1.0
569.14520	21.1
570.15192	3.4
581.14716	1.0
584.03503	0.6
599.15619	7.6
600.15735	1.1
653.18646	0.7
671.17700	2.9
672.18378	0.6
689.18823	2.1
743.22375	0.7
749.20789	14.9
750.20917	3.4
761.20660	0.8
779.21832	4.6
780.22571	0.8
851.23486	1.5
869.25195	2.9
870.26154	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.31525	10.5
71.01384	59.2
72.99298	4.5
73.02560	1.4
73.02952	19.6
75.00874	1.4
81.03469	2.4
83.01391	11.4
85.02954	31.7
85.08746	1.1
86.00093	2.3
87.00877	12.7
87.04522	2.1
88.98792	2.6
89.02443	24.7
93.03444	2.3
95.01373	5.6
95.05017	2.0
96.96032	1.5
97.02931	1.9
99.00874	6.2
101.02444	41.4
103.04016	4.9
110.01517	1.1
111.00905	6.4
111.86818	1.2
113.02449	25.2
115.03992	3.7
116.92841	1.4
119.03516	8.3
119.05034	2.9
122.05953	1.1
123.03656	1.1
123.04509	19.1
125.02443	8.5
127.03965	1.4
129.01904	3.5
131.03496	6.0
137.02441	1.5
141.01921	1.7
143.03534	6.6
151.03998	1.7
159.02966	4.0
161.04587	8.8
161.05814	1.7
163.03987	1.6
163.06140	8.3
165.05603	1.6
165.09256	1.8
167.03505	6.9
179.05592	1.8
192.75151	1.2
197.80476	1.1
205.05270	1.3
205.07172	5.2
209.04456	3.3
220.71277	1.4
247.08324	6.0
273.07605	1.6
315.08713	14.2
316.09024	1.4
345.09854	6.9
353.08807	5.6
399.23810	1.5
483.14862	1.6
543.27679	2.4
561.29303	6.6
562.29657	1.5
583.23962	3.6
689.33893	1.7
707.23645	1.9
707.35040	24.8
707.47363	1.4
708.35327	4.0
723.34180	9.6
724.34705	2.1
869.40167	74.4
870.40363	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	869.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.7
62.99467	0.4
66.02103	0.3
69.03464	1.1
69.24087	1.8
69.24512	0.9
71.01379	16.2
72.99297	1.5
73.02946	3.0
75.00904	0.4
81.03468	1.1
83.01389	1.2
85.02961	4.2
87.00878	4.5
89.02444	16.1
90.02805	0.4
95.01398	1.6
95.05033	0.4
97.02946	2.5
99.00887	1.2
101.02441	11.6
102.02804	0.4
104.79175	0.3
109.02924	0.3
111.04502	0.7
113.02453	7.0
119.03482	3.2
125.02441	5.4
131.03542	0.7
139.04034	0.5
143.03496	2.9
149.04576	0.5
155.10681	0.4
161.04555	3.8
165.12782	0.4
167.03479	0.6
167.10744	0.4
167.14449	0.6
179.05609	4.9
183.13910	7.0
184.14247	0.4
193.12305	1.9
199.05971	0.4
211.13391	100.0
212.13748	5.5
212.62262	0.3
216.80807	0.4
217.07092	0.6
221.06656	1.3
235.08180	4.4
236.08574	0.4
253.09271	0.8
253.14522	0.6
259.08206	0.5
263.07779	0.5
277.21716	47.0
278.21988	3.8
287.07629	1.3
305.08759	1.8
323.09708	1.1
361.11115	0.4
379.12473	7.5
380.12854	0.7
381.22366	0.3
397.13486	36.5
398.13913	1.9
415.14554	8.0
415.19644	0.3
416.14737	0.7
591.26581	3.1
592.26678	0.4
609.27521	3.9
610.27686	0.6
675.35663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	0.8
63.79954	0.4
69.03461	1.5
71.01385	17.5
72.99302	1.5
73.02946	2.8
75.00899	0.4
81.03456	0.9
83.01382	2.6
85.02963	4.2
87.00878	4.7
87.01383	0.5
89.02447	14.3
91.04033	0.4
95.01386	1.6
97.02942	2.9
98.20644	1.3
99.00883	0.9
101.02444	12.8
111.00892	0.6
111.04528	0.7
113.02455	7.8
115.03988	0.5
119.03506	4.2
125.02444	6.4
127.03996	0.4
131.03453	0.7
139.03920	0.3
143.03497	2.1
148.99847	0.3
154.22118	0.4
161.04559	3.6
167.03470	0.4
167.10854	0.6
167.14392	1.0
169.05165	0.5
177.05136	0.3
179.05630	4.0
183.13901	6.8
193.12340	1.5
199.06139	0.6
211.13390	100.0
212.11852	0.6
212.13744	5.9
217.07184	1.3
221.06686	1.6
233.22549	0.4
235.08203	5.0
235.10367	0.5
253.09300	0.7
259.08185	0.5
263.07697	0.4
275.20264	0.5
277.21716	57.0
278.22043	5.0
286.16113	0.4
287.07751	1.9
305.08844	1.9
319.22565	0.5
323.09763	1.3
334.16507	0.4
379.12433	8.6
380.12784	0.5
395.21930	0.4
397.13510	37.8
398.13916	2.7
415.09628	0.7
415.14615	7.6
416.15015	0.5
591.26605	2.8
609.27686	2.6
657.34937	0.5
675.35999	1.3
795.07831	0.4
888.37885	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	8.6
69.03449	3.3
71.01381	86.7
72.01717	1.8
72.99303	4.5
72.99948	0.8
73.02946	16.0
75.00864	1.7
78.96464	0.7
81.03471	0.9
83.01385	17.5
85.02952	26.5
86.78104	0.7
87.00878	10.4
89.02442	83.4
90.02777	1.6
95.01390	9.2
97.02962	3.3
99.00893	6.0
101.02441	56.6
102.02784	1.4
103.00391	4.9
103.04015	1.8
109.02925	1.2
111.00880	2.7
111.04539	1.0
113.02447	50.3
114.02751	0.8
115.00351	0.9
115.03987	1.3
119.03493	23.6
119.04885	1.2
120.03832	0.8
123.04585	0.9
125.02447	6.9
127.00347	2.9
127.03999	1.3
129.01939	2.0
131.03529	6.5
136.62746	0.7
139.00310	1.6
141.01923	1.1
143.03499	13.1
149.04596	4.5
150.03123	0.8
155.03503	1.6
159.02962	3.3
161.04558	29.3
162.04810	0.8
163.03931	1.0
163.06111	0.8
165.05643	0.9
167.03525	1.1
168.00578	0.8
169.01442	1.0
179.05600	22.9
179.07159	1.2
185.04442	1.4
199.02475	3.1
203.05667	3.5
221.06630	1.0
229.03474	3.5
236.88953	0.8
240.71603	0.8
241.05333	0.8
245.06822	1.1
247.04568	2.4
253.37325	0.8
271.04648	3.4
289.09216	1.4
301.75079	0.8
305.08719	5.6
315.18088	7.3
319.06784	1.1
323.09766	8.4
331.06613	1.3
341.10861	86.9
342.11154	5.1
365.10889	3.0
374.21292	0.9
379.08710	1.0
383.12015	1.9
409.09857	100.0
410.10208	8.2
425.21899	1.8
443.22781	1.2
461.23901	66.7
462.24377	7.8
503.25073	3.0
529.22894	40.7
530.23218	7.6
549.10748	0.9
566.85669	0.9
712.02069	0.7
730.25043	0.8
811.45398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99303	2.5
61.98832	40.4
68.99833	0.5
69.03448	2.1
71.01385	44.7
71.56087	0.8
72.01720	0.7
72.99318	3.3
73.02949	13.7
75.00887	1.1
81.03452	2.0
83.01376	7.5
83.05029	0.6
85.02953	21.3
87.00874	3.9
87.04521	0.5
88.98808	11.1
89.02451	9.2
93.03458	1.7
95.01383	6.0
97.02953	3.4
99.00882	6.3
99.04521	0.9
99.44678	0.5
101.02448	29.6
103.04034	1.6
109.02934	1.0
111.00893	1.6
111.04537	0.7
113.02458	20.4
115.04002	0.7
115.05594	1.2
116.92850	1.7
119.03511	2.4
119.05008	1.0
123.00876	0.5
123.04523	1.5
125.02449	4.0
127.00397	0.9
127.04010	1.0
129.01958	0.9
131.03520	1.2
135.04521	1.5
137.02428	1.0
139.00366	1.2
143.03519	4.7
145.02945	1.4
146.03745	45.1
147.04239	1.8
151.00418	0.6
151.04002	0.6
159.02965	3.7
161.02481	0.8
161.04565	17.4
161.06079	14.3
162.04977	0.8
162.06387	0.7
163.04008	2.0
163.06184	0.9
164.04797	30.0
165.05132	1.0
167.03519	1.1
169.01448	1.5
179.07135	79.4
180.07465	3.6
185.04523	4.2
187.04001	1.7
205.07076	0.8
229.03516	7.6
278.59335	0.5
289.09390	3.7
315.18137	9.1
316.18457	0.7
341.12405	1.7
409.11426	19.8
410.11774	1.8
425.21854	1.0
443.22900	0.7
461.23929	100.0
462.24255	10.9
462.30594	0.9
503.25049	6.2
529.22925	38.9
530.23108	4.1
571.23944	1.5
613.25153	0.9
649.39789	1.4
845.92059	0.6
871.43835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99311	0.3
61.98829	100.0
71.01389	2.1
72.01759	0.2
72.99310	0.2
73.02958	0.6
75.00867	0.2
79.55257	0.1
83.01387	0.3
85.02949	1.0
86.03277	0.1
88.98807	1.7
89.02447	0.8
95.01405	0.3
97.02979	0.1
99.00899	0.3
101.02438	1.0
102.02779	0.2
113.02460	1.3
115.05556	0.2
119.03535	0.1
122.47231	0.1
123.04521	0.1
125.02437	0.2
135.04454	0.2
136.01682	0.3
139.63707	0.1
143.03477	0.3
146.03746	1.3
147.04140	0.4
150.03232	0.2
151.04033	0.5
155.82339	0.1
161.04579	0.9
161.06093	0.5
163.04013	0.3
164.04782	1.1
165.02106	0.1
165.05431	0.4
167.03470	0.1
179.05623	0.3
179.07118	2.9
179.08563	0.2
180.07440	0.8
187.04056	0.4
195.06749	0.3
224.84882	0.1
227.07237	0.3
229.03601	0.3
289.09454	0.1
315.18317	0.3
316.18546	0.2
319.86459	0.1
351.10812	0.1
357.13339	0.3
358.13602	0.2
385.08542	0.1
409.11591	0.5
410.12180	0.3
461.23862	2.5
462.24203	1.9
473.14478	0.1
503.25012	0.2
505.78876	0.1
515.26605	0.1
529.22809	0.8
530.23193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98529	0.2
66.32730	0.1
71.01380	1.0
71.56499	0.1
72.99307	0.1
73.02959	0.3
83.01400	0.2
85.02964	0.3
87.00860	0.1
88.98817	0.3
89.02453	0.6
96.96020	0.2
99.00854	0.1
99.92589	0.3
101.02466	0.4
108.02213	0.1
113.02438	0.5
116.92863	2.2
119.03490	0.1
123.00913	0.1
123.04550	0.2
124.01682	0.2
125.02460	0.2
125.99646	0.1
131.61739	0.1
133.40956	0.1
135.00865	0.1
139.04037	0.1
140.36726	0.1
141.00179	0.1
145.02959	0.1
149.02400	0.1
150.03282	0.2
151.03938	0.1
152.01208	0.2
153.01984	0.1
161.04570	0.2
161.06097	0.1
164.04829	0.1
164.50313	0.1
165.05583	0.2
167.03496	0.5
175.02472	0.2
176.58508	0.1
179.03596	0.1
179.07138	0.2
180.04211	0.1
259.09891	0.1
469.95102	0.1
477.23395	0.1
649.39838	0.2
650.39832	0.2
651.40198	0.2
652.40363	0.3
815.48120	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	10.5
63.53255	2.0
69.03442	3.2
71.01381	100.0
71.56913	3.6
72.99303	4.8
73.02946	48.0
83.01396	16.3
85.02952	37.9
87.00883	8.4
89.02441	17.5
95.01402	9.9
96.95994	3.0
97.02973	4.0
98.27402	1.8
99.00897	12.2
99.04517	4.4
101.02451	79.6
111.00876	2.4
113.02445	38.0
119.03493	7.2
119.05042	2.5
125.02462	11.6
131.03506	3.5
137.02490	2.9
143.03505	5.6
145.02858	2.7
149.04570	4.2
150.03162	2.5
150.88438	2.0
159.02980	5.1
161.04565	46.7
164.04691	2.4
165.01956	4.7
165.05557	2.3
168.86633	2.0
173.59341	2.0
174.01665	2.6
175.02519	3.1
179.03543	2.2
179.05586	8.1
179.07085	3.2
180.04288	4.2
190.88217	2.2
195.06630	5.9
203.05600	14.8
220.65939	2.3
221.06619	5.7
225.07858	2.4
249.67146	2.2
278.15399	1.9
285.04068	2.7
313.16357	2.8
314.16882	2.2
331.17612	65.0
332.17947	3.1
371.20697	10.3
373.18707	51.3
374.19025	7.6
382.51996	2.3
383.80411	1.9
413.21985	14.7
414.22369	3.7
476.61893	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	876.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98547	0.2
71.01395	0.3
72.70824	0.1
73.02966	0.2
85.02981	0.2
88.98836	0.1
89.02438	0.2
98.19842	0.2
101.02459	0.3
103.44458	0.1
105.14246	0.1
113.02451	0.2
115.05548	0.3
137.53851	0.1
161.06113	0.1
187.04047	0.3
226.89554	0.1
271.09927	0.1
279.48251	0.1
418.00537	0.1
614.55017	0.1
651.40277	0.2
703.73486	0.1
813.44940	2.7
814.45386	0.7
871.15912	0.1
876.44403	0.2
877.44373	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
63.99251	0.2
69.03470	0.2
71.01382	1.9
71.31724	0.3
72.99318	0.3
73.02949	0.6
75.00877	0.5
83.01374	0.4
85.02963	0.7
87.00893	0.5
88.98824	0.7
89.02455	0.6
95.01417	0.2
99.00880	0.4
101.02454	1.1
113.02458	1.0
115.04820	0.2
115.05576	0.6
116.92828	0.2
119.03468	0.2
123.04501	0.2
125.46497	0.2
129.01999	0.2
131.03526	0.2
143.03485	0.2
145.02914	0.2
161.06071	0.4
165.05528	0.3
175.03983	0.2
187.04062	0.8
225.08160	0.2
227.07068	0.2
303.23312	0.3
304.10815	0.2
334.58771	0.2
628.35101	0.2
633.50293	0.2
651.40228	0.2
669.34894	1.2
670.35229	5.4
671.35626	0.8
739.35370	0.2
813.44635	2.4
814.45374	0.4
876.44775	0.3
877.46564	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	876.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.18940	0.3
71.01372	0.3
71.55679	0.2
75.79417	0.2
78.70992	0.2
86.03315	0.2
88.85284	0.2
88.98846	0.3
91.78937	0.3
101.02460	0.3
101.63701	0.3
115.05573	0.5
116.92878	0.3
119.05016	0.7
133.06618	0.5
161.06122	0.7
187.03992	0.7
227.69206	0.2
291.23697	0.3
538.99750	0.3
813.46515	1.6
814.46844	0.6
882.54041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	88.3
62.98521	0.5
69.32500	1.5
69.32921	2.4
71.01383	5.8
72.25997	0.5
72.99313	0.5
73.02946	2.0
75.00878	0.5
76.47782	0.4
79.95731	1.0
83.01408	0.9
85.02956	2.6
87.00877	2.2
88.98804	1.7
89.02431	2.6
96.96013	39.8
98.19909	0.9
99.00884	0.5
101.02472	2.8
102.60364	0.5
105.31625	0.4
113.02511	2.6
113.92680	0.4
114.93417	0.9
115.05540	3.2
117.07144	0.7
119.03502	1.0
121.02976	0.5
123.04521	1.5
125.02442	1.6
145.02876	0.5
149.02423	4.0
150.03235	11.1
151.00298	0.6
151.03706	0.4
160.01559	0.5
161.02441	1.0
161.04604	1.0
161.06065	2.5
162.03224	0.7
163.04010	0.7
164.04781	2.1
165.05563	17.1
166.05923	0.6
168.00648	0.9
179.05640	0.7
180.04251	1.1
187.04027	5.6
193.05042	0.5
195.06625	5.2
196.06992	0.7
213.05562	10.7
213.07593	0.8
214.05859	0.7
229.03476	2.2
240.04311	0.5
241.05064	42.9
242.05400	2.8
255.03009	0.6
255.06670	1.6
256.07407	92.4
257.07761	6.5
271.09753	100.0
272.10104	9.1
309.09958	0.5
317.37341	0.5
327.10974	2.3
357.12097	0.7
369.11896	1.4
375.13022	0.6
395.09784	1.3
415.14285	0.5
433.15018	60.2
434.15381	7.5
443.11960	4.9
448.26828	0.5
473.14679	0.5
475.16299	0.6
477.23312	1.1
501.14056	7.4
502.14102	0.7
638.44849	0.6
814.45605	0.6
877.43744	0.5
896.96191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98521	0.2
63.99263	0.1
71.01389	0.6
72.99314	0.1
73.02958	0.1
83.01415	0.1
85.02967	0.3
88.51615	0.1
88.98795	0.6
89.02438	0.2
95.04990	0.1
96.96010	0.2
101.02465	0.3
105.01848	0.1
113.02465	0.3
115.05508	0.4
116.92859	0.3
117.07110	0.1
125.02488	0.1
136.01633	0.1
150.03203	0.1
161.04649	0.2
161.06131	0.2
163.04071	0.2
165.05562	0.2
187.04013	0.7
195.06575	0.1
198.08865	0.1
219.34950	0.1
227.07167	0.1
241.08693	0.1
340.77090	0.1
357.11673	0.1
357.26340	0.2
357.66077	0.1
358.26880	0.2
446.58121	0.1
560.00970	0.1
653.40796	0.1
774.40570	0.2
792.41321	0.2
815.46356	1.7
816.46478	0.5
878.46674	0.3
879.47443	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	879.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	5.4
69.03440	0.6
71.01380	6.0
71.17316	0.5
72.99306	0.4
73.02958	0.5
75.00864	0.4
76.12513	0.2
83.01386	0.5
85.02956	3.7
87.00888	0.7
89.02444	3.1
91.05533	14.1
92.05878	0.4
93.03497	0.4
95.01392	0.7
97.02946	1.0
99.00909	0.3
99.04517	0.4
101.02442	2.0
113.02447	4.0
115.00371	0.3
115.05536	13.8
116.05880	0.7
117.03473	0.7
117.07107	52.0
118.07447	2.6
119.03520	2.0
125.02451	5.2
127.04024	0.9
130.03677	0.2
133.06598	8.7
134.06927	0.3
135.04501	1.5
137.02466	0.3
143.03514	5.4
143.04997	1.1
155.03471	2.1
161.06081	100.0
162.06418	5.4
163.04019	5.3
173.78418	0.3
175.02448	0.7
177.05534	0.3
179.05634	2.4
185.04549	9.8
186.04868	0.4
187.04002	50.0
188.04332	2.7
203.05508	0.4
205.05051	67.6
206.05368	3.8
223.06108	13.3
224.06483	0.9
245.06612	2.5
265.07129	5.1
266.07361	0.4
287.09299	0.3
305.08530	0.3
385.11511	1.0
391.10388	0.9
451.12424	4.6
452.13046	0.6
467.15701	0.5
511.14539	16.8
512.14886	2.3
541.09637	0.3
561.79205	0.3
657.18774	0.5
717.20355	12.5
718.20886	2.3
744.55103	0.3
879.25616	1.7
880.26489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	44.4
71.01393	6.4
71.55920	0.8
71.56293	1.0
73.02958	0.9
74.79436	0.8
85.02956	4.0
87.00906	1.1
87.80067	1.0
88.98840	1.1
89.02449	3.6
91.05530	8.3
95.01386	1.0
96.96021	2.1
101.02452	2.2
110.23370	0.8
113.02473	4.2
115.00320	0.9
115.05541	16.9
117.03449	1.1
117.07109	52.2
118.07447	2.9
119.03503	2.0
119.05002	1.0
123.04524	1.8
125.02428	5.0
133.06592	7.5
134.06900	0.9
135.04562	1.9
143.03490	7.6
143.05070	1.2
155.03491	2.2
161.06081	100.0
162.06445	4.6
163.04054	6.3
165.05550	2.7
171.58937	0.9
175.02544	1.1
179.05592	2.4
185.04573	9.5
185.64047	1.0
187.04012	44.3
188.04343	4.0
205.05055	65.5
206.05412	3.5
210.74811	0.9
211.13318	2.5
223.06100	10.8
245.06723	2.2
265.07169	3.5
286.64539	1.0
319.88516	0.9
385.11560	2.4
391.10217	1.2
451.12784	4.7
511.14566	14.5
512.14386	1.4
717.20135	11.0
718.20538	2.1
879.25598	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	879.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.3
62.11958	0.6
71.01392	5.2
72.99324	0.9
85.02957	4.9
89.02447	3.1
91.05529	15.4
95.01342	1.3
98.18893	0.6
101.02442	1.8
113.02450	3.3
115.05535	14.8
117.03470	0.7
117.07107	55.4
118.07458	3.0
119.03518	1.6
125.02453	4.9
133.06586	6.9
135.04482	0.9
143.03497	6.5
143.04990	0.9
155.03510	2.0
161.06078	100.0
162.06442	5.4
163.04005	6.0
167.03540	0.6
179.05606	3.1
185.04543	10.3
186.04956	0.7
187.04002	43.9
188.04346	2.4
205.05046	67.2
206.05429	3.9
223.06105	13.1
224.06522	0.7
230.11754	0.9
245.06631	1.3
265.07175	5.2
347.97101	0.7
385.11560	1.2
391.10446	1.0
451.12357	4.3
511.14600	14.3
512.14722	1.7
680.37311	0.7
717.20410	10.2
718.20575	1.6
879.25671	3.0
880.26495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01371	3.3
71.18217	1.3
83.01395	0.7
87.00883	2.7
88.98856	0.6
94.14980	0.5
95.01429	0.5
99.00842	0.6
101.02443	1.4
111.00905	0.6
113.02438	0.6
115.00359	10.1
115.05537	1.0
116.92812	0.5
117.07092	1.1
127.00441	0.6
132.39140	0.6
139.00404	0.9
157.01451	1.9
161.06102	1.8
175.02472	26.0
176.02835	1.0
187.04073	1.8
211.13463	2.0
224.64435	0.5
285.48715	0.7
367.00607	0.6
699.36017	1.7
757.36993	0.6
779.21265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	17.1
69.75951	1.0
71.01380	2.2
71.55407	1.6
80.82391	0.8
96.96023	4.8
99.00864	1.0
99.92583	26.1
100.92609	1.4
108.08164	0.8
108.76153	1.1
109.87766	0.9
113.02444	1.2
115.00380	0.9
115.05549	2.6
115.92072	19.8
116.92861	100.0
117.07101	3.8
117.92867	4.6
121.02977	2.2
129.71364	0.9
133.06645	1.1
158.93974	1.5
161.06079	5.2
163.04010	1.5
174.93417	1.5
175.02515	1.9
187.03903	2.4
188.50299	0.9
191.94991	1.0
194.26402	0.9
205.05058	4.0
223.06085	1.6
243.78873	1.0
288.98096	2.5
469.13358	1.9
535.05237	2.1
551.05011	1.1
675.18744	1.5
757.10608	2.1
758.11334	1.4
775.11615	1.9
858.86389	1.1
881.15485	1.6
882.15924	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62693	7.6
71.01380	1.1
93.03454	15.5
95.01417	1.1
98.19953	1.7
119.04985	2.1
121.35779	1.0
123.04549	1.6
125.02494	1.1
132.02171	2.2
133.02963	1.8
137.02461	1.6
143.04945	1.1
144.77303	1.1
151.00363	1.6
167.04999	1.2
183.04533	2.3
199.03960	4.3
201.01768	1.3
209.06152	1.8
211.03963	2.1
213.01939	2.6
214.02588	1.4
223.03975	3.4
225.01878	2.4
226.02527	2.2
227.03479	14.6
229.05052	2.3
238.02728	1.4
239.03439	1.7
240.04430	1.3
241.04974	1.2
242.02228	1.8
243.02924	7.7
251.03439	1.3
253.01291	2.4
253.05077	18.6
254.02251	2.1
255.02980	56.3
256.03537	4.7
265.05096	1.9
267.03018	17.0
269.00873	3.6
275.07269	1.3
277.05038	2.0
278.05597	1.1
279.03098	2.7
279.06158	1.5
281.00955	5.9
283.02463	5.5
284.03271	14.2
285.04025	11.4
291.06500	1.4
293.00931	4.3
293.04492	4.2
294.01434	1.9
295.02429	8.1
298.01099	3.3
299.02060	1.3
303.06552	1.3
306.05072	1.6
307.02448	4.1
311.01956	2.4
315.06720	1.7
317.04480	1.3
317.08093	1.9
319.06027	2.8
320.06561	1.3
331.05875	1.5
335.05634	1.6
343.05957	1.7
347.05658	1.7
348.06247	1.4
359.05557	3.9
360.05853	1.4
361.07129	38.3
362.07532	5.9
375.04922	3.1
376.05811	2.3
387.05170	10.9
388.05859	1.7
401.06573	3.0
403.04745	5.5
404.05286	4.1
405.06155	3.3
413.06705	1.5
415.04373	3.8
425.21542	1.3
431.04013	2.3
432.04730	5.4
433.05490	2.1
433.11240	2.6
445.05515	4.0
447.09323	25.0
448.09570	2.5
465.33981	1.4
475.08548	2.5
494.10059	1.5
521.08392	1.9
538.08972	2.3
539.09827	24.9
540.09949	3.6
581.13269	7.8
583.10883	4.2
657.15643	1.3
701.15070	100.0
702.15338	19.1
881.21442	26.9
882.21289	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	881.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	3.7
71.54233	2.4
78.68792	1.4
80.38145	1.5
83.01384	1.7
93.03465	16.5
115.00367	3.4
125.02506	2.0
132.02217	2.3
137.02498	1.9
151.00432	1.8
152.71474	1.5
164.01164	3.2
175.02481	5.8
199.03963	3.0
202.20799	1.5
209.06125	3.2
211.03926	1.8
218.45937	1.6
223.04022	3.2
227.03477	17.1
241.01500	2.9
243.02925	8.2
253.05080	22.0
255.02992	56.4
256.03369	4.9
257.01437	5.0
267.02960	18.5
269.00870	2.6
271.06015	3.2
275.07071	2.0
279.02899	1.9
281.00885	3.7
283.02457	4.8
284.03217	15.9
285.03906	10.4
293.00848	7.0
293.04205	3.1
294.01703	1.9
295.02588	9.4
297.04031	2.4
298.01196	2.8
307.02484	5.1
307.05762	1.7
311.02173	3.1
317.08282	2.2
319.05972	2.3
332.06943	2.6
343.06168	2.2
359.05569	3.7
360.06503	2.0
361.07141	33.8
362.07651	2.6
387.05118	9.5
401.06763	2.0
403.04694	7.9
404.05423	3.0
405.05975	2.1
413.06781	2.0
415.04541	4.0
431.04077	2.3
432.04904	5.7
433.05667	3.2
433.11389	3.0
445.05719	6.1
447.09192	20.6
448.09653	2.6
475.08685	3.0
494.09894	2.6
495.11127	3.1
521.08038	2.0
538.08533	3.0
539.09772	26.2
540.10358	2.3
581.12988	6.4
583.10962	5.3
701.15118	100.0
702.15381	17.6
881.21338	32.8
882.21436	8.3
896.35437	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	881.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.8
71.56488	1.7
83.01401	1.5
89.02419	2.2
93.03474	8.8
100.76682	1.4
101.02443	2.4
117.03484	1.6
119.05038	2.7
125.02455	19.6
137.02481	2.8
145.02937	2.6
147.04553	2.2
149.02411	2.4
151.00365	1.8
163.00366	1.8
164.01149	4.4
164.07150	3.6
171.04546	1.7
177.01894	1.9
206.08289	2.6
209.06081	3.2
211.04015	2.8
211.66754	1.8
225.05652	1.8
227.03441	13.2
229.04932	1.8
239.03384	2.7
243.02948	5.1
253.05075	12.2
255.02959	17.7
256.03546	3.1
269.01041	2.9
269.04416	1.9
271.05988	3.4
279.02826	3.1
279.06616	2.1
284.03214	17.5
284.31586	2.0
285.03906	10.8
291.06552	2.0
293.04553	3.6
293.08017	1.7
297.03876	4.0
303.06473	2.5
307.06143	5.9
309.04257	1.6
317.04608	2.5
319.06097	4.0
327.06750	1.9
331.06088	4.6
332.06772	2.2
335.05545	5.1
336.06339	1.9
345.07535	2.3
347.05515	4.0
355.06140	6.8
357.07550	2.5
359.05664	6.9
361.07010	3.2
364.06003	2.5
365.06580	3.1
369.07697	3.0
375.04990	5.7
376.05728	3.5
377.06900	2.8
383.05539	4.4
384.06345	7.4
385.07217	8.1
387.05334	1.8
388.05707	2.4
389.06647	2.6
395.08829	2.7
401.06595	3.5
403.04700	7.8
404.05112	3.0
405.06088	2.0
412.05917	10.7
413.06570	20.4
414.07123	4.3
423.08630	4.0
424.10178	1.9
427.08005	3.9
431.03931	5.5
432.04779	4.2
437.10440	4.0
445.05545	4.6
447.09366	26.0
448.09647	3.3
451.08414	3.7
452.08908	5.9
453.09705	7.2
470.10110	3.7
471.10837	13.2
472.11600	2.6
494.09772	4.0
495.10962	8.7
499.77936	1.9
538.09137	5.7
539.09863	25.8
540.10193	3.4
575.11914	4.7
583.10876	13.0
595.10602	2.0
633.16632	1.9
657.16113	3.0
701.15063	63.5
702.15527	12.7
719.15698	7.8
881.21405	100.0
882.21655	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	882.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
75.83097	0.3
96.66451	0.3
116.92908	0.5
150.47200	0.3
218.17433	0.3
223.13403	0.8
239.11057	0.3
277.21732	0.7
278.22113	0.4
279.23209	0.7
280.61887	0.3
397.13654	0.7
419.67117	0.4
616.59338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	10.1
64.77000	0.4
71.01373	2.4
71.45361	0.7
73.02956	1.5
83.01413	0.5
85.02953	1.8
87.00867	1.3
89.02400	0.4
91.05525	7.8
93.03451	0.9
95.01354	0.5
95.05025	0.9
97.02919	0.4
99.00872	0.7
101.02447	3.0
113.02460	1.8
115.05536	50.2
116.05882	2.5
117.03455	3.5
117.07102	9.1
119.05019	0.9
123.04521	23.1
123.09273	0.3
124.04865	0.9
125.02456	0.9
129.01897	0.4
131.03473	0.4
131.05034	0.8
133.06593	3.7
135.04533	1.9
136.30995	0.4
143.03487	1.4
143.05025	5.3
145.06602	0.5
149.06087	1.1
159.04485	1.6
161.04617	1.8
161.06062	20.6
162.06407	1.0
163.04004	23.2
164.04370	0.9
165.05602	0.7
177.05533	0.7
187.03998	100.0
188.04347	3.9
191.03513	0.6
191.05423	0.4
193.54483	0.4
205.05072	6.3
208.61983	0.4
211.13466	0.5
215.07208	0.4
229.05020	0.5
235.06110	2.7
265.07178	0.9
285.09811	4.9
307.08167	0.6
396.21921	0.5
408.33847	0.4
473.14536	15.0
474.14795	2.1
491.15591	22.6
492.15936	2.5
506.24377	0.4
515.15344	2.2
634.40088	1.0
679.20233	1.5
889.13812	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	5.6
71.01390	3.0
71.04091	0.4
71.04407	0.5
72.99283	0.5
73.02937	1.1
73.25112	0.3
75.00873	0.5
85.02937	1.9
87.00877	0.8
89.02442	1.1
91.05536	8.2
93.03451	0.7
95.05013	0.8
101.02454	2.8
113.02442	1.6
115.05537	51.3
116.05884	2.3
117.03460	4.8
117.07105	9.9
119.03513	0.6
119.05056	0.6
120.68130	0.4
121.02998	0.3
123.04526	22.0
124.04829	0.7
125.02410	0.8
131.05054	1.9
133.06599	4.8
135.04515	1.6
141.80226	0.3
143.03503	0.6
143.05017	4.9
145.06544	0.5
149.06093	1.0
159.04483	1.5
161.04620	1.6
161.06068	20.4
162.06436	0.8
163.04010	25.6
164.04396	1.1
173.06090	0.4
177.05630	1.0
185.06053	0.5
187.04001	100.0
188.04335	5.0
201.05556	0.4
205.05031	8.0
229.04916	0.4
235.06061	2.2
247.05927	0.6
265.07227	1.9
285.09802	4.5
307.08127	0.8
417.60095	0.3
453.37048	0.4
473.14532	15.4
474.14975	1.7
491.15598	19.0
492.15921	2.7
507.89807	0.4
515.15417	2.9
533.16522	0.6
679.20258	1.4
752.43970	0.4
779.44696	0.6
797.45648	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	58.0
69.03448	4.5
70.71346	2.8
71.01383	75.6
72.99319	9.8
73.02950	20.5
83.01387	14.9
85.02955	40.4
86.00102	3.5
87.00874	13.9
89.02454	28.3
91.05544	3.7
95.01389	4.8
97.02959	8.6
98.60554	2.7
99.00877	10.5
101.02446	55.7
103.00345	3.5
111.00871	7.7
112.01707	3.3
113.02464	31.8
114.11758	3.1
115.05539	29.7
117.07103	6.0
119.03503	7.4
123.04538	3.5
125.02436	10.3
127.46566	2.7
127.62929	2.7
133.06598	4.4
137.02426	3.7
143.03511	8.7
143.04912	3.0
147.04643	2.9
161.04509	7.9
161.06061	10.5
163.04022	20.9
165.05521	3.1
187.04002	39.8
196.54739	3.1
205.04955	3.2
211.13350	4.6
327.28851	4.4
471.33075	5.5
473.14423	9.4
489.34283	12.9
617.39038	5.4
633.38654	14.0
635.39832	9.4
651.39789	9.1
652.39233	2.7
760.31091	3.4
779.44397	100.0
780.44696	21.8
797.45355	84.4
798.45416	16.5
839.46503	30.2
840.46265	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	883.47
Annotation	Unknow
Peak:m/z	Relative Intensity
61.35805	0.5
61.63763	0.5
61.98835	0.6
67.01852	0.7
69.27418	0.5
69.27818	4.3
71.01382	15.7
72.99293	2.4
73.02943	1.2
75.00872	1.4
83.01395	4.9
84.02161	1.5
85.02946	2.5
87.00876	36.9
87.76467	0.5
89.02431	0.7
89.54141	0.4
98.20689	1.1
99.00877	1.8
101.02456	1.6
101.40516	0.5
103.98243	0.4
107.75420	0.4
111.00880	5.2
112.98766	0.7
113.02455	1.2
113.43629	0.4
115.00373	55.1
116.00720	0.8
127.00381	1.9
129.01863	0.7
136.20879	0.4
139.00375	7.2
141.13841	0.4
151.09917	0.5
156.90117	0.5
157.01436	8.3
175.02473	100.0
176.02846	3.0
194.33360	0.5
197.15402	0.5
209.24771	0.5
211.13481	0.9
213.15027	0.8
223.13490	0.9
225.14920	0.9
232.36302	0.5
235.13541	0.5
235.17061	1.3
237.14978	0.6
239.16515	1.6
241.14412	3.7
242.14832	0.7
245.46620	0.5
247.13396	1.3
251.12907	0.9
253.09340	0.8
253.14455	0.8
253.18112	1.1
261.14981	2.7
263.16428	1.4
265.14523	0.8
267.33594	0.5
269.13885	1.0
277.21707	10.0
278.22104	1.4
281.17630	2.3
287.91440	0.5
289.14450	0.8
307.15530	1.2
420.18274	0.6
459.22348	0.7
543.23907	0.5
667.09229	0.5
765.44165	6.0
779.45898	3.4
780.46387	0.6
783.45758	1.9
784.45270	0.7
803.46149	1.9
821.46729	4.4
822.47028	1.3
823.45001	1.6
893.57941	0.5
900.78992	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.9
67.01884	0.6
70.31287	1.5
71.01383	15.8
71.04485	0.4
72.99302	2.0
73.02943	1.4
75.00882	0.7
83.01394	4.7
84.02164	0.9
85.02943	2.3
87.00877	35.1
88.01224	0.4
93.53052	0.4
93.69658	0.4
99.00873	2.0
101.02444	1.1
107.07294	0.4
111.00876	4.9
112.98825	0.9
113.02448	1.7
115.00373	52.2
116.00750	1.0
122.03771	0.4
125.23785	0.4
127.00356	1.4
136.05318	0.5
139.00369	5.8
140.00691	0.4
154.84067	0.4
157.01413	7.5
161.04608	0.5
168.98251	0.5
175.02467	100.0
176.02861	2.3
180.66484	0.4
225.11317	0.6
225.14874	0.6
227.67256	0.4
235.08250	0.8
237.14958	0.7
239.12878	0.5
239.16483	1.0
241.14511	2.7
247.13425	1.1
253.09297	0.9
253.14676	0.6
261.14935	1.7
263.16589	0.5
265.14331	0.5
277.21707	13.5
278.22183	1.3
281.17517	0.9
281.97128	0.4
289.14429	1.3
371.03961	0.5
442.93842	0.5
761.44916	0.7
765.44055	4.5
766.44232	1.3
774.06659	0.5
779.45740	2.9
780.47284	0.6
783.45532	1.5
803.45673	1.1
821.47186	2.8
822.46783	0.9
823.45154	1.7
865.46246	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.03481	2.9
71.01382	18.2
72.99314	3.0
73.02956	7.2
83.01392	4.2
85.02962	8.9
87.00894	4.6
88.98795	4.3
89.02446	3.8
91.05531	5.0
98.35906	2.1
101.02443	8.9
113.02471	6.1
115.05538	37.9
116.05885	2.6
117.07116	19.3
118.07435	5.6
119.03474	2.9
123.04518	7.9
125.02441	15.5
143.05046	3.1
145.02936	2.9
161.06087	52.0
162.06433	9.9
163.03973	3.2
163.06502	2.2
175.02583	3.1
179.73546	2.2
187.03990	64.9
188.04312	8.7
189.04395	3.2
205.05013	9.6
206.05338	6.1
207.05608	3.1
208.05872	2.4
212.48831	2.2
223.06154	2.7
271.09900	3.5
337.12247	2.6
365.12448	6.0
387.12970	3.8
511.14880	3.6
515.15546	9.2
531.18512	2.7
704.35699	2.5
763.45386	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	885.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	6.8
71.01388	9.6
72.99313	3.5
73.02946	3.9
81.03433	0.7
82.62064	0.7
83.01394	1.5
85.02944	7.7
87.00877	1.1
88.98815	1.4
89.02444	5.4
96.96024	1.0
97.02914	1.1
99.04527	2.7
101.02438	7.6
101.37119	0.6
102.45915	0.6
103.04012	2.7
113.02423	1.3
116.92852	0.9
125.02454	5.6
135.04547	1.1
135.11517	0.7
151.00404	0.8
161.02501	1.6
161.04567	1.3
162.03244	1.0
163.06120	0.9
165.01918	1.1
175.02530	1.0
177.05539	0.7
178.04332	0.6
179.03468	1.4
180.04259	0.9
181.05119	1.3
193.04988	0.7
195.06790	0.7
197.14644	0.6
202.50751	0.7
207.06630	0.8
212.01004	0.7
213.05577	11.9
227.07048	0.8
229.19229	0.8
240.04387	1.4
241.05057	43.9
242.05396	2.8
251.09401	0.8
254.05821	0.7
255.06653	11.3
256.07407	100.0
257.07831	6.0
269.08237	0.7
270.08981	3.4
271.09756	91.7
272.10150	7.3
313.10941	1.3
415.13910	2.0
433.15030	5.0
475.15759	1.5
549.64478	0.7
561.19781	1.9
568.89362	0.6
579.20813	94.5
580.21259	11.5
621.21826	40.8
622.22394	6.2
649.39197	0.9
661.25018	7.7
662.25555	1.6
705.23969	1.9
723.25146	26.9
724.25323	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	885.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98529	3.4
61.98832	54.4
71.01385	60.4
72.99290	7.0
73.02959	17.0
75.00854	2.4
81.03437	3.3
83.01390	15.6
85.02949	40.1
87.00881	13.7
88.12584	2.1
88.98821	22.2
89.02446	18.0
91.05497	2.2
95.01388	8.1
97.02930	9.2
99.00876	8.1
101.02451	48.7
105.01936	13.2
111.00876	6.7
112.01694	3.6
113.02454	33.7
115.00369	6.0
115.05533	22.4
116.05875	5.1
116.92805	3.4
117.03542	2.6
117.07123	4.9
119.03511	4.7
123.04515	9.7
124.01657	3.5
125.02457	17.3
133.06570	2.7
143.02437	2.4
143.03493	8.1
143.30672	2.6
159.02974	5.1
161.04550	7.9
161.06071	12.9
163.03986	6.5
175.02472	6.7
187.03986	36.1
188.04324	9.7
205.05217	4.1
205.07065	3.0
271.09561	2.8
283.26419	3.2
329.30484	2.9
331.54990	2.8
361.94727	2.4
473.14398	4.3
475.14709	3.1
491.36105	8.9
514.72949	2.7
619.39008	2.5
635.40173	11.6
637.41937	3.1
653.41376	15.4
654.41602	2.5
737.94995	2.4
781.45831	100.0
782.46289	20.6
799.46936	85.1
800.47406	21.7
841.47546	33.8
842.48431	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	887.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	11.0
66.96004	0.3
71.01385	5.5
72.99316	0.6
73.02948	1.5
75.00896	0.5
81.03473	0.3
83.01389	1.1
83.05067	0.3
85.02953	2.3
87.00881	0.8
88.98821	2.3
89.02462	1.3
91.05561	0.3
93.03518	0.4
93.71703	0.3
95.01383	0.8
96.96024	0.4
97.02976	0.5
98.19858	1.0
99.00877	0.9
101.02455	3.4
107.05070	0.3
109.02961	0.4
111.00905	0.3
113.02438	2.8
115.05540	0.5
116.92886	0.4
117.03464	0.6
117.07074	0.4
121.02924	0.3
123.04513	0.4
124.01665	0.9
125.02463	1.0
137.02460	3.0
143.03525	0.6
145.02968	0.7
150.03227	2.5
151.04018	5.8
159.02882	0.6
161.02539	1.6
161.04572	3.1
161.06081	1.2
162.03235	29.6
163.04001	3.2
165.05580	6.5
166.05847	0.3
172.17451	0.3
175.02579	0.4
177.05573	10.6
178.06157	0.8
179.03499	5.0
180.04286	77.2
181.04649	3.6
185.04567	1.1
187.03969	0.5
195.06627	100.0
196.06985	4.8
205.05119	0.9
219.06645	0.8
229.03586	2.1
230.51823	0.3
237.07666	0.8
253.16776	0.3
279.08652	1.4
315.18115	1.0
321.09860	0.8
327.10834	0.8
339.10770	0.5
357.11905	52.3
358.12305	4.2
381.11749	1.8
395.09216	0.4
425.10770	1.8
461.23950	10.3
462.24231	1.1
493.97357	0.3
503.25052	2.7
504.25046	0.4
529.22949	5.4
530.23419	0.7
534.57050	0.4
571.24323	0.6
613.25183	0.4
723.78632	0.3
887.35809	1.8
888.36627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.4
66.37241	0.3
67.01872	0.4
69.41656	2.5
71.01381	8.9
72.99305	0.8
73.02951	1.4
80.21371	0.4
81.03453	0.8
83.01385	2.7
85.02950	3.6
87.00880	1.1
89.02448	5.6
95.01394	3.7
96.95966	0.4
96.99359	0.4
98.20710	0.7
99.00875	1.3
101.02439	5.7
103.00349	0.4
108.02185	0.8
109.02967	0.8
110.00094	0.8
111.00874	2.9
113.02451	4.8
116.92853	1.4
117.92880	0.6
119.03510	2.6
121.02977	2.7
121.51546	0.4
123.00888	53.5
123.04498	1.2
124.01663	100.0
125.02038	2.2
129.01891	0.4
131.03516	0.6
136.01674	0.8
137.02451	0.7
137.99571	0.8
138.03221	11.6
139.00412	3.7
139.04012	98.8
140.04376	3.6
141.55560	0.4
143.03493	0.6
145.02928	0.6
149.02443	1.3
149.04462	0.6
150.03204	0.9
151.03987	1.3
153.01924	1.1
160.01628	0.5
161.04547	3.0
161.05994	0.8
162.03285	0.4
163.04008	0.8
165.05519	1.6
166.02733	0.5
175.03998	0.4
178.02792	0.5
179.05602	2.5
179.06976	0.4
180.04179	0.4
181.05089	2.8
193.05002	0.9
195.06627	0.5
203.05600	4.2
205.05116	0.7
223.06137	0.6
234.16023	0.4
241.08640	0.5
281.08224	0.6
283.08209	4.1
301.09219	0.9
302.22223	0.4
309.11102	0.5
321.04462	0.8
339.12427	1.2
343.10300	15.6
344.10556	1.1
357.13425	0.7
369.08136	0.9
381.13431	0.7
411.09430	0.8
501.17545	1.4
521.20197	2.4
587.17773	0.5
853.40411	0.6
900.76947	0.4
911.26831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	4.1
67.87478	1.5
70.00937	8.4
71.01388	18.8
72.66717	1.8
73.02927	2.6
74.49882	1.8
85.02947	4.6
86.41482	1.8
87.00864	5.9
89.02451	12.6
97.02932	2.5
101.02446	14.0
104.58053	1.8
113.02442	7.5
125.02430	7.2
125.09710	1.6
127.11263	3.2
139.04039	1.8
143.03464	2.4
161.04527	4.5
171.10268	100.0
172.10640	3.2
179.05571	4.5
195.57314	1.6
235.08191	6.2
273.11462	1.8
277.21707	59.3
278.22006	5.5
287.07623	2.9
305.08755	3.3
321.08304	1.7
372.11530	1.9
379.12375	15.3
380.12924	2.0
397.13464	42.4
398.13708	3.1
415.14340	8.6
551.23700	3.0
555.28479	4.1
569.24597	3.0
846.24200	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	889.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.2
67.55668	0.8
69.03460	1.2
71.01382	17.7
71.12537	1.8
72.99310	2.3
73.02937	2.8
75.82726	0.9
77.27681	1.1
83.01395	2.2
85.02960	3.0
87.00883	5.1
89.02442	13.5
95.01387	1.6
97.02937	3.2
101.02441	12.6
111.04565	0.7
113.02446	8.9
119.03495	3.1
120.93532	0.8
124.01601	0.9
125.02465	7.2
127.11292	1.5
139.04079	0.9
143.03491	2.5
161.04610	4.0
171.10269	100.0
172.10591	3.9
179.05632	3.3
217.07127	2.1
235.08200	6.4
259.08322	1.8
277.21710	69.5
278.22079	5.0
287.07730	2.5
301.08475	0.9
305.08826	2.3
323.09561	1.0
379.08035	1.1
379.12485	14.1
397.13486	46.3
398.13760	3.5
415.14502	9.2
511.54034	1.0
551.23492	2.6
569.25330	1.8
657.34576	1.1
675.36060	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	890.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.19446	0.2
71.01385	2.6
71.56551	0.3
72.99305	0.5
73.02950	0.7
83.01385	0.5
85.02972	1.2
87.00890	0.3
88.98813	0.9
89.02452	1.2
95.01423	0.4
96.96024	0.5
97.02979	0.3
99.00861	0.3
101.02445	1.2
108.02173	0.3
111.28255	0.2
113.02448	0.6
116.92854	0.6
119.03522	0.3
121.03006	0.2
123.04553	0.3
125.02477	0.6
127.00385	0.7
132.02077	0.2
134.03725	0.3
135.04471	0.2
139.00409	0.5
150.03244	0.3
151.00365	0.9
153.01927	0.5
160.01640	0.3
161.04594	0.3
163.04065	0.3
163.06110	0.3
165.05597	0.4
172.21767	0.2
175.02516	0.3
175.03964	0.5
195.06633	0.5
213.05550	1.1
241.05048	5.5
255.06644	1.7
256.07397	14.5
257.07813	1.1
270.08981	0.5
271.09741	16.5
272.10162	1.1
337.09677	0.3
379.12152	0.3
415.14020	0.4
433.15366	0.4
451.56519	0.3
475.16089	1.2
561.19849	0.5
579.20807	6.1
580.21466	0.9
621.21838	28.7
622.22198	5.2
647.19806	1.6
648.20551	0.3
689.20953	5.4
690.21729	1.1
719.22284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	1.3
63.30862	0.7
65.64563	0.7
69.96844	0.7
70.68459	0.7
70.68799	1.6
71.01389	3.7
83.01379	0.9
85.02962	2.0
89.02439	2.3
89.30101	0.8
91.05535	5.9
101.02425	2.7
113.02444	2.4
115.05547	1.5
117.07105	51.4
118.07476	2.6
119.03474	1.3
133.06630	1.3
134.46019	0.7
161.06079	90.5
162.06438	4.3
187.04028	5.4
205.05048	61.0
206.05373	2.9
212.66687	0.7
271.02457	0.9
294.20590	0.9
300.02737	1.6
383.13034	0.9
397.07440	0.8
427.12439	100.0
428.12726	9.8
463.08667	2.6
465.52209	0.8
546.15546	0.7
611.44373	0.8
725.15240	0.7
755.05859	1.1
790.83105	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.0
64.74607	0.3
69.00172	0.3
70.83459	0.9
71.01371	1.1
85.02939	0.8
86.08208	0.4
88.98798	1.5
89.02418	0.4
101.02462	0.7
113.02431	0.7
113.85649	0.3
115.05534	2.8
117.07150	0.9
123.04519	0.4
125.02472	0.5
133.06586	1.1
140.35898	0.3
159.08072	0.4
161.06058	3.2
161.27853	0.3
162.94958	0.3
163.04053	0.8
168.05742	0.4
169.06668	0.6
174.01611	0.4
181.06587	1.3
182.07335	1.3
183.08142	21.2
184.08476	1.3
185.06059	4.1
186.10234	0.4
187.03998	4.1
197.06097	0.5
198.06862	4.4
199.07568	0.4
209.06212	0.5
213.05573	1.1
224.84174	0.4
225.05551	1.8
226.06346	27.6
227.07124	100.0
228.07512	5.7
239.07146	0.4
241.05096	3.9
241.08652	0.4
251.07129	2.6
256.07382	8.6
257.07748	0.5
269.08160	3.6
270.08655	0.5
271.09744	4.4
371.11646	0.4
389.12405	48.0
390.12711	5.0
413.12369	4.1
414.12500	0.5
431.13474	0.6
433.14468	0.4
457.11398	58.2
458.05783	0.7
458.11682	6.5
458.17676	0.5
461.23636	1.6
473.14471	0.6
475.12372	10.8
476.12665	1.8
555.81897	0.4
891.26746	3.0
892.27838	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	891.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	98.2
62.98545	1.2
63.99212	1.2
71.01395	7.2
71.56562	1.6
73.02966	1.8
83.01399	1.5
85.02953	4.3
87.00872	2.0
88.98800	2.3
89.02451	3.4
89.74995	1.1
90.03684	1.1
93.03455	4.0
93.77316	1.2
95.01424	1.9
96.96011	1.9
99.00895	1.4
101.02449	5.7
108.02166	2.6
108.14931	1.6
109.02927	2.7
111.00906	1.6
113.02438	3.4
115.00390	2.3
116.92883	1.8
117.03458	11.9
119.05031	5.8
121.02947	11.8
122.03741	11.2
123.00915	1.5
123.04492	2.3
124.01652	1.9
125.02429	1.7
132.02176	18.8
133.02942	4.5
134.02721	2.1
134.03746	36.9
135.04536	2.2
136.01662	67.0
137.02356	4.0
138.03183	1.4
145.02951	29.8
146.03592	1.6
147.04552	3.2
148.05261	1.2
149.02428	20.4
149.06059	9.4
150.03226	57.9
151.04010	60.6
159.04550	2.0
160.01666	80.4
160.05266	1.8
161.02324	5.8
161.04584	1.5
161.06058	3.2
162.03293	2.5
163.04063	6.8
164.04749	2.9
165.05576	41.9
175.03993	100.0
176.04572	8.0
177.05530	3.4
178.02711	5.1
179.03445	3.0
180.04312	4.0
187.04012	2.0
189.05527	2.1
189.71472	1.3
191.07117	8.0
193.05046	34.9
193.06801	2.4
195.06621	15.6
199.06097	1.2
217.05125	1.7
221.06107	1.5
235.06035	13.6
236.06358	1.5
247.06125	1.7
250.06352	3.8
267.06659	1.3
271.09735	1.2
279.06631	2.1
282.08990	7.5
283.09641	1.5
307.08240	17.6
312.10202	2.2
313.10629	1.3
327.08777	2.7
327.12347	5.9
337.09302	82.4
338.09738	6.8
339.08768	3.3
341.10269	24.8
342.10956	6.4
343.11914	6.8
357.13425	29.2
358.13748	3.6
369.13397	3.3
371.11267	6.1
372.11853	1.4
379.12885	1.5
389.12292	2.4
431.13458	3.3
485.14572	7.5
503.15668	5.0
533.16608	5.5
535.18921	1.5
583.21997	2.1
695.23413	83.9
696.23828	18.0
891.31042	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	892.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14580	19.7
69.90085	95.3
71.01430	20.5
71.82124	20.4
89.02449	22.8
98.20620	38.9
111.41075	26.3
125.04645	20.2
171.10260	100.0
172.10602	40.9
199.13347	29.5
277.21582	52.5
278.22046	37.9
279.22095	22.9
384.97079	20.9
391.45554	23.5
397.13354	25.6
398.14035	20.4
802.30756	20.9
886.45520	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	892.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
66.50549	30.7
66.74690	34.3
78.05898	36.8
79.63971	43.4
89.02396	36.3
103.44938	33.4
150.59416	40.8
151.88779	35.3
162.41650	41.6
171.10188	100.0
172.10547	69.4
173.44858	44.1
174.27592	35.5
201.04402	44.3
277.21524	67.3
278.21994	49.1
398.13708	46.1
681.17047	49.9
723.19238	40.5
825.07391	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98516	9.6
66.81971	7.0
70.83948	7.4
71.01377	79.2
71.32734	17.1
71.33090	10.7
72.99320	10.9
73.02939	24.3
83.01413	15.5
85.02969	27.8
87.00855	7.4
88.98818	16.3
89.02444	29.0
96.96018	73.7
101.02441	41.9
113.02461	36.8
115.05543	29.0
116.92863	53.6
117.03474	10.6
121.02963	9.2
123.04470	14.4
124.01670	20.5
139.03957	7.7
143.03560	11.1
150.03294	9.8
161.04579	36.1
161.05998	17.5
163.03972	14.1
165.05600	18.3
166.01060	6.9
167.03461	10.8
175.02443	14.9
181.05057	10.8
187.03981	36.0
202.71214	10.4
231.42171	7.6
271.09747	17.4
285.03790	15.4
301.09332	8.5
369.08212	54.9
370.08307	11.5
460.65546	9.0
461.23926	100.0
462.24460	14.1
529.22913	80.1
530.23328	11.6
567.19922	8.0
892.99573	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	899.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05600	1.1
68.99832	1.1
69.01159	1.1
69.03463	2.2
71.01382	48.3
71.56721	2.2
72.99332	2.3
73.02958	8.4
81.03477	2.7
83.01388	6.8
83.85950	1.0
85.02954	40.9
87.00885	5.7
88.98815	5.2
89.02451	18.4
93.03460	2.3
95.01379	5.9
97.02975	4.6
99.00883	11.4
101.02448	28.7
113.02454	37.8
115.05538	56.3
116.05893	1.3
116.92868	4.7
117.03458	2.5
117.07104	27.3
119.03531	7.1
119.05029	4.1
123.04522	6.8
124.01701	1.5
125.02465	7.8
135.04507	1.0
136.01643	1.7
137.02464	2.7
137.94373	1.1
139.03946	1.4
141.11806	1.1
142.04016	1.6
143.03517	15.1
143.05008	5.1
145.02968	6.1
149.04562	1.3
151.04004	3.4
153.05600	1.3
155.03523	1.9
159.03011	1.3
160.01651	1.5
161.04578	18.2
161.06085	45.7
161.07426	2.3
162.06453	2.8
163.04005	3.3
165.05550	2.4
175.02512	1.3
175.03911	1.4
179.05589	5.0
187.04012	74.1
188.04340	4.1
191.05618	2.5
195.06717	1.7
203.05586	1.9
205.05052	4.1
218.70979	1.2
221.06682	1.8
265.14828	1.2
271.09723	2.5
323.09830	100.0
324.10294	6.9
331.06635	1.6
418.44614	1.2
447.15167	14.5
469.13553	5.1
473.14331	1.4
485.16562	2.6
499.14688	4.2
635.19543	6.1
649.60645	1.3
808.20715	1.4
899.28125	23.3
900.28955	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	899.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	0.5
69.39220	2.6
71.01381	17.6
72.99311	1.0
73.02950	3.4
81.03466	0.5
83.01388	2.3
84.42237	0.3
85.02948	8.8
85.92053	0.3
87.00878	1.6
88.98758	0.3
89.02444	7.5
89.02995	0.4
91.05551	0.5
93.03458	1.1
95.01379	1.7
95.05033	0.5
97.02970	1.5
99.00873	5.7
101.02441	11.6
108.02152	0.5
109.02929	0.6
113.02446	12.1
115.05534	80.1
116.05875	3.3
116.92905	0.6
117.03463	2.5
117.07102	9.0
118.07474	0.5
119.03509	3.0
119.04963	0.4
121.02925	0.5
122.92707	0.3
123.00854	0.3
123.04524	5.4
124.01661	0.3
125.02424	1.1
131.03531	0.8
134.03758	0.4
137.02438	0.9
139.03917	0.3
143.03516	2.9
143.05013	7.9
143.06093	0.7
144.05269	0.5
148.05336	0.7
150.03165	0.5
152.01152	0.7
153.01918	0.5
153.05544	1.1
155.03450	0.4
156.00615	0.5
159.03032	0.5
161.04550	10.0
161.06071	11.5
162.06424	0.6
163.04007	0.7
172.65585	0.3
178.06322	0.4
179.04019	0.5
179.05602	2.3
180.04250	0.5
187.03996	100.0
188.04352	6.1
193.05066	0.4
193.08714	0.4
203.05624	0.6
205.05026	2.4
221.06625	0.8
252.88255	0.3
315.07281	0.8
323.09805	43.4
324.10220	2.3
365.10754	0.4
447.15021	9.0
448.15390	0.9
464.83722	0.4
469.13696	0.5
471.18906	0.7
521.07825	0.3
635.19733	20.9
636.20044	3.4
657.05652	0.4
899.28204	2.3
900.28339	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
68.15233	1.0
69.03446	1.5
70.05803	1.6
70.06161	4.4
71.01386	26.2
72.99310	8.6
73.02930	3.7
75.00874	43.1
75.40659	1.1
81.03458	1.0
82.00188	0.9
83.01396	2.1
83.05065	1.6
84.02147	1.1
85.02956	9.2
85.27551	0.9
87.00876	36.1
89.02465	4.6
95.01404	0.9
95.05064	1.3
95.27254	1.2
97.02945	4.0
98.19954	1.4
99.00864	3.1
99.04483	1.3
101.02452	5.7
109.02943	6.2
111.00900	1.3
112.98788	1.3
113.02441	6.4
115.00375	67.0
115.04031	1.2
119.03479	1.3
123.04512	4.5
125.02428	2.6
125.09721	1.2
127.00413	1.7
127.04010	6.2
129.01913	1.1
135.02998	4.3
139.03952	1.1
142.99756	1.1
151.04015	2.0
161.04576	1.6
169.05034	4.1
169.12318	3.4
171.03064	1.1
171.10265	31.6
175.02478	100.0
176.02824	2.3
186.20004	1.0
193.12332	4.7
195.13913	4.3
197.11832	34.1
198.12085	1.7
209.11813	1.9
209.15527	1.0
211.13400	3.7
213.14836	1.2
221.11829	4.3
223.13405	1.9
235.08220	2.3
235.13339	1.6
239.12881	9.4
241.14441	5.6
245.11754	3.8
253.09276	7.5
253.14410	1.6
263.12741	1.8
267.12283	5.4
277.21710	60.3
278.22006	4.9
281.13898	1.2
285.13428	14.3
286.13748	1.5
303.00980	1.1
339.47766	1.1
407.19510	1.6
500.14343	1.0
503.21436	6.2
512.98492	1.1
521.22247	6.7
717.42102	1.5
737.40887	2.2
759.43011	3.2
763.95239	1.1
765.44183	1.2
777.41479	4.3
779.42542	6.3
780.42712	1.6
781.43762	61.3
782.44049	10.0
803.42755	2.2
811.44977	3.4
821.43152	12.6
822.42877	2.5
837.44714	1.2
839.44220	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	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99814	0.7
69.03442	1.4
71.01382	21.7
71.13025	1.4
72.99300	6.2
73.02948	2.3
75.00872	26.8
80.37275	0.6
81.03454	1.8
83.01383	1.8
85.02957	7.7
87.00876	38.6
89.02438	3.6
95.01411	0.6
95.05022	0.9
97.02979	3.1
97.06606	0.7
99.00891	1.4
99.04502	1.5
101.02432	3.4
109.02927	3.4
111.00898	0.8
111.04507	0.9
112.98827	0.8
113.02435	4.6
115.00375	61.5
115.03995	1.6
116.00706	1.1
121.02915	0.6
123.04524	3.7
125.02440	1.6
127.00378	1.4
127.04014	4.8
129.01958	1.1
135.03020	3.2
139.00395	1.5
139.04041	0.8
143.03494	0.8
149.91322	0.6
151.03984	1.4
157.01442	0.6
161.04616	0.7
169.05043	2.7
169.12346	3.0
171.10274	29.8
172.10590	1.0
175.02470	100.0
176.02858	2.9
193.12308	2.3
195.13852	1.7
197.11826	13.2
198.16920	0.6
209.11806	1.4
209.15430	1.8
211.13376	1.9
221.11882	1.8
223.13336	2.9
231.04993	0.7
235.13338	2.2
237.14984	1.2
239.12860	4.3
241.10890	0.6
241.14386	3.6
245.11868	2.6
251.12860	0.8
253.09290	5.1
263.12888	2.5
267.12427	3.7
277.21735	27.1
278.22003	2.1
281.13956	0.9
285.13391	9.0
286.13773	0.9
297.13391	1.3
407.19202	1.0
471.77206	0.6
492.30896	0.6
503.21173	3.4
521.22559	5.3
533.23077	0.7
536.23700	0.6
586.14923	0.6
631.92731	0.7
644.87323	0.6
650.41876	0.6
717.42517	0.8
737.42194	1.8
747.43500	0.6
749.12115	0.7
759.42865	0.8
777.42407	0.7
778.43579	0.6
779.42084	2.8
781.43811	27.3
782.44379	4.8
793.42926	1.4
803.42334	2.1
811.44940	1.1
821.43695	5.4
822.43951	1.3
839.43903	3.2
840.44739	0.8
899.46527	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	901.262
Annotation	Kaempferol 3-glucosyl-(1->3)-rhamnosyl-(1->2)-[rhamnosyl-(1->6)-galactoside]
Peak:m/z	Relative Intensity
63.02411	0.5
65.00334	0.8
71.18673	0.7
83.01418	0.7
93.03450	0.7
100.07873	0.4
101.92984	0.3
107.01367	2.0
117.03460	0.9
132.02213	0.5
135.00827	0.5
151.00374	4.6
158.03668	0.4
163.00388	0.8
164.01100	0.6
169.01454	0.4
171.04453	0.4
175.04033	0.4
178.99817	1.2
182.03650	0.5
183.04532	2.2
185.84351	0.4
187.04062	0.8
199.04005	0.4
210.03349	0.3
211.03990	2.4
213.05354	0.4
227.03488	20.6
228.03929	1.9
229.05009	1.1
239.03499	0.6
241.04950	0.7
255.02985	70.2
256.03473	6.7
257.04608	1.8
283.02484	55.3
284.03250	77.2
285.03918	17.3
286.04297	0.5
297.03448	0.4
309.04004	0.7
326.04263	0.6
327.04947	0.7
437.11646	0.4
446.08566	4.5
495.18387	0.4
575.13983	0.6
721.74066	0.4
739.20911	100.0
740.21246	16.0
740.34601	0.8
781.22107	0.9
782.22510	0.4
901.25897	1.2
919.69269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
65.95592	1.5
69.95078	5.9
69.95488	2.7
71.01383	29.4
73.02949	10.0
83.01384	3.2
85.02948	22.1
87.00890	3.0
88.98794	4.9
89.02447	13.7
91.05520	2.3
95.01383	7.5
96.06058	1.5
97.02946	1.6
97.59036	1.8
98.20590	3.1
101.02441	30.9
107.54128	1.7
113.02449	47.9
115.05539	51.6
116.05869	1.8
117.03444	2.8
117.07102	27.5
119.03515	11.3
123.04522	7.0
125.02448	2.7
128.04022	1.5
131.03531	4.1
133.06567	2.0
143.03500	8.7
143.04985	4.7
149.04552	8.1
161.04570	21.4
161.06076	80.3
162.06445	3.2
179.05592	1.7
187.04001	100.0
188.04388	5.0
205.05022	11.5
221.06670	4.1
285.09958	1.6
323.11346	13.9
352.06406	1.5
423.61047	2.0
427.12424	24.8
428.12692	3.3
455.95459	1.5
473.14487	22.8
498.67984	1.6
512.18213	1.6
525.71045	1.8
571.01093	1.6
695.21893	50.8
696.22058	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	901.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	2.0
69.45834	7.6
69.46255	7.1
70.24618	1.8
71.01376	27.8
72.99284	2.3
73.02954	9.1
82.55037	1.9
83.01370	5.3
85.02956	18.7
87.00877	4.1
88.98817	11.1
89.02438	9.9
91.05547	3.9
93.03474	2.0
95.01393	8.1
97.02943	3.1
98.20614	2.4
101.02443	31.6
105.01934	8.5
109.93237	1.8
113.01708	3.1
113.02449	44.3
115.05539	58.8
116.05907	3.6
117.03461	3.8
117.06353	3.3
117.07101	33.3
118.07381	2.8
119.03518	9.5
123.04542	9.0
125.02369	2.4
131.03481	4.0
133.06642	4.0
135.04482	2.3
143.03522	6.3
143.05003	7.0
149.04559	4.8
157.47594	1.8
161.04572	17.4
161.06068	79.7
163.04005	5.0
187.04004	100.0
188.04259	3.5
195.06688	2.1
205.05060	23.4
221.06534	3.7
271.09741	3.3
285.09885	2.4
323.11298	9.2
324.12030	2.1
427.12424	16.6
473.14529	21.1
474.14844	3.6
491.15561	2.3
536.01245	2.2
545.51550	1.9
546.90442	2.2
573.18939	2.1
695.21771	36.5
696.22223	6.3
901.28082	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	901.501
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01897	0.6
68.99809	0.5
69.03460	2.0
71.01382	47.0
72.01701	0.6
72.99301	3.6
73.02944	18.8
75.00867	1.1
79.55946	0.4
81.03443	1.3
83.01382	9.3
84.02166	0.4
85.02952	30.9
86.00101	2.5
86.03291	0.5
87.00875	7.7
87.04516	1.7
89.02450	5.2
95.01388	5.5
97.02959	2.9
98.19846	1.0
99.00883	6.8
101.02444	34.0
102.02767	0.6
103.04010	1.1
105.01949	0.6
110.98759	0.5
111.00886	10.2
112.01675	0.6
113.02451	19.4
115.03978	1.4
115.05508	0.4
116.92858	1.0
119.03490	1.1
124.01637	0.6
125.02444	3.4
128.04343	0.4
129.01944	1.8
131.03493	2.0
141.01920	1.8
143.03474	3.5
159.02977	4.2
161.04559	5.2
161.05896	0.8
170.32925	0.5
187.04019	0.9
205.07126	1.1
229.54582	0.5
283.26242	0.6
285.28006	0.9
330.22327	0.5
437.07086	0.5
447.33240	6.8
448.33472	0.7
450.85568	0.4
591.37329	1.1
593.39056	1.4
601.20734	0.4
609.38409	10.4
610.38934	1.3
676.80957	0.5
707.10406	0.5
737.43500	2.8
738.43347	0.8
755.44324	36.0
756.44843	6.0
901.50104	100.0
902.50476	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	903.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84313	1.0
70.84682	0.9
71.01379	8.3
72.99281	0.6
73.02942	1.4
75.00882	1.1
79.72168	0.5
83.01380	1.5
85.02957	5.6
87.00890	1.6
88.98816	6.5
89.02447	4.4
91.05540	0.5
93.03461	1.0
95.01386	0.9
99.00887	3.8
99.92564	0.6
101.02453	6.4
103.00366	1.3
105.01922	1.3
105.13165	0.5
113.02444	5.6
115.00346	0.4
115.05539	81.9
116.05864	3.8
116.92838	4.9
117.03452	1.8
117.07108	13.6
119.03511	1.9
121.02950	0.9
123.04512	3.6
125.02466	2.9
137.02443	0.5
143.03490	1.1
143.05034	7.1
149.02428	0.8
150.03203	1.6
151.03891	0.6
161.04590	3.8
161.06055	25.0
162.06442	1.0
163.03979	1.1
164.04836	0.5
165.05537	2.3
179.05606	0.6
187.04004	100.0
188.04350	5.6
195.06689	1.5
205.05060	3.0
227.06993	0.6
243.10226	1.1
260.84491	0.4
299.77029	0.5
323.09756	18.7
357.11807	0.5
383.16962	0.6
405.14941	0.5
443.11429	1.0
447.15106	7.3
448.15344	0.5
455.13007	0.5
473.14508	23.2
474.14694	3.1
635.19781	34.0
636.20245	5.5
903.49146	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03470	2.5
70.75137	1.7
71.01385	42.4
72.99303	2.2
73.02945	13.4
75.00857	0.9
81.03470	1.9
83.01380	9.2
83.05022	0.8
85.02953	23.9
87.00886	2.4
88.98814	2.8
89.02445	6.2
93.03470	2.3
95.01384	6.4
97.02954	2.5
97.99572	0.7
99.00862	8.3
101.02446	24.4
103.00366	0.9
105.01947	2.6
108.02158	1.9
109.02927	1.8
111.00887	1.6
111.04533	0.8
112.01686	0.7
113.02453	21.0
115.00379	0.8
115.05544	4.2
116.92905	0.8
117.07079	0.7
119.03500	2.2
121.02985	2.6
122.03679	2.3
123.04534	1.4
125.02473	4.4
127.00371	1.3
128.97714	0.6
129.01939	1.2
136.01663	68.1
137.02495	4.4
139.00375	1.5
141.01947	1.3
143.03471	3.8
147.08061	0.6
151.04008	100.0
152.04350	4.2
156.52765	0.8
159.03000	4.0
159.04391	1.3
160.05299	1.4
161.04567	23.4
161.06039	2.1
162.03351	0.8
163.04022	2.2
167.03496	1.1
169.01422	0.9
175.02492	1.3
175.07661	1.5
185.04486	1.5
187.04027	5.1
205.03493	0.7
229.03526	9.2
299.94800	0.7
314.69885	0.7
315.18112	32.7
316.18491	3.2
320.71249	0.7
339.07361	0.9
342.11121	4.7
357.13428	96.7
358.13773	7.4
362.50354	0.8
383.17105	61.4
384.17334	3.8
425.18182	2.0
444.67487	0.7
469.81525	0.8
501.17496	1.0
519.18713	7.6
520.19049	0.9
527.21588	1.8
545.22308	1.6
587.17670	31.8
588.18073	3.8
651.20551	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81261	0.5
69.03458	0.9
71.01383	28.5
71.04794	1.1
72.01704	0.6
72.99305	1.9
73.02951	8.4
75.00854	0.8
81.03464	0.7
83.01391	4.8
85.02952	14.3
86.00102	0.7
87.00876	15.5
88.98814	5.7
89.02451	5.1
93.03456	0.9
95.01391	3.4
96.96022	0.8
97.02956	1.1
99.00886	4.8
101.02447	18.3
103.04037	0.7
105.01937	1.2
108.02164	1.6
108.34707	0.6
109.34191	0.6
111.00899	2.4
113.02448	14.9
116.92874	3.3
117.03438	0.7
117.45770	0.7
119.03491	1.7
121.02954	4.2
122.03755	1.1
123.04525	2.7
124.01653	0.7
124.35739	0.5
125.02431	1.7
126.90528	4.0
127.04048	1.0
129.01956	1.9
131.03506	0.9
135.04535	1.0
136.01563	0.7
137.02473	0.6
139.00346	0.9
141.01959	0.7
143.03445	2.9
145.02934	3.8
146.03647	0.8
147.04559	0.8
149.02435	21.5
150.03226	54.3
151.03700	2.4
153.05560	1.9
159.02997	2.0
161.02525	3.8
161.04564	13.4
161.05881	0.6
162.03223	4.2
163.04034	1.9
164.04778	12.1
165.05569	100.0
166.05934	3.8
177.05592	3.9
178.02502	0.7
179.07114	1.8
180.04330	5.7
181.04839	0.7
187.04054	0.7
190.84831	0.7
195.06618	37.8
196.06952	1.3
205.03423	0.7
205.07249	0.8
207.06540	0.6
213.07724	2.1
227.04430	0.7
228.62381	0.7
239.09247	1.0
249.07649	2.9
256.07416	1.2
267.08759	1.1
271.09790	2.2
284.82117	0.6
289.09235	1.3
291.08618	0.8
297.72928	0.6
309.09811	1.8
315.18085	6.4
327.10876	17.5
328.11200	0.8
333.78998	0.6
351.10855	0.9
357.11969	4.6
359.70663	0.7
369.11917	2.0
375.13013	11.7
375.17664	0.4
395.09894	5.3
407.09686	0.8
425.10757	3.1
425.21780	0.9
433.15088	0.9
443.11932	28.5
444.12201	3.7
461.23929	57.6
462.24301	6.5
477.23380	0.7
478.45129	0.6
503.24802	4.5
504.25015	0.7
528.26660	0.6
529.22913	30.8
530.23370	4.5
579.20966	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	12.1
71.56395	12.9
89.02453	10.0
101.02482	14.9
112.25854	6.5
114.25772	7.2
118.16416	6.7
170.93875	7.1
200.94102	7.4
211.13403	100.0
277.21722	48.5
379.12445	17.7
397.13510	56.9
415.14444	9.4
591.26398	12.6
609.27911	14.8
625.67670	8.0
905.46985	38.7
934.09644	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	906.267
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	34.6
72.99279	6.3
73.02953	13.8
83.01372	13.2
85.02940	8.5
87.73477	6.0
88.98817	42.7
96.92295	7.2
101.02438	22.3
101.45530	5.6
105.01930	10.6
113.02478	16.3
115.05559	34.4
116.92844	10.9
117.07111	14.6
123.04513	13.7
125.02454	9.9
130.29279	6.5
137.02429	8.2
143.03458	25.1
150.68721	6.4
161.06036	55.3
187.04013	100.0
188.04373	8.1
200.61421	6.9
256.07434	6.7
271.09900	10.6
323.11365	12.3
469.13126	10.4
473.14471	20.6
524.44385	6.7
737.23029	49.7
738.23810	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	906.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84621	0.7
67.65639	0.6
71.01377	2.5
72.99319	0.9
73.29308	0.8
85.02942	0.7
87.00884	1.1
88.98809	13.3
89.02423	1.0
96.95972	0.8
101.02431	0.6
105.01945	5.9
105.88232	0.7
110.86706	0.7
113.02422	1.6
115.05537	69.7
116.05871	4.2
116.92855	2.0
117.03447	2.4
117.07115	6.7
121.03019	1.0
123.04518	4.1
125.02455	0.9
143.03925	0.9
143.05028	6.7
150.03191	0.8
151.03833	0.9
161.04744	1.4
161.06078	14.1
162.06409	0.8
165.05582	1.3
168.63736	0.8
175.02422	0.7
187.03995	100.0
188.04366	5.8
195.06578	0.8
205.05113	5.5
256.07324	1.3
265.77228	0.6
271.09677	1.4
285.04132	0.7
285.43738	0.7
325.10098	0.7
336.81641	0.6
473.14505	72.9
474.14789	9.6
737.23279	6.4
738.23914	0.8
841.12366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32858	1.6
69.33195	14.0
70.21822	1.4
71.01375	4.8
78.49275	1.6
83.01377	2.1
84.74826	1.6
85.02924	3.5
89.02439	1.9
93.03456	44.3
98.20581	2.9
101.02436	2.5
117.03468	30.5
119.05075	1.7
125.02441	7.3
132.54601	1.6
133.02943	1.8
135.04536	3.3
137.02403	6.9
161.02451	2.0
161.04590	1.7
164.01146	6.3
173.02534	2.7
175.00323	4.3
175.23862	1.8
185.02562	1.7
223.03990	11.8
235.04196	3.3
241.05080	1.6
243.02809	1.9
247.03967	1.8
251.03441	6.2
253.05011	19.1
265.04956	2.2
267.02975	72.0
268.03424	3.2
269.04510	6.2
271.06116	2.2
279.02969	19.7
281.04572	3.4
291.03015	45.5
292.03299	2.9
293.04547	41.1
294.05038	4.2
295.02496	2.6
295.10461	1.9
297.03885	3.8
300.50543	1.6
303.02942	2.5
305.04370	2.2
309.04059	19.1
311.05563	3.7
313.07703	2.6
315.02823	5.2
321.04013	4.2
323.05423	2.3
333.04074	8.9
335.01981	4.0
337.03519	20.9
338.03738	2.8
339.06516	1.9
340.07434	1.9
341.08151	8.6
346.27121	1.9
357.07700	1.9
385.07178	100.0
386.07516	13.3
403.08423	5.2
409.07092	23.9
410.07300	4.0
413.09027	9.4
415.08130	2.0
427.08179	29.0
428.08401	3.8
428.94281	2.1
429.06174	10.7
433.11340	3.1
441.06064	6.7
445.09268	2.5
453.06085	22.0
454.06497	4.4
457.07883	2.6
457.17361	2.8
471.07108	11.7
472.07761	2.7
505.11322	3.6
547.10358	72.6
548.10699	8.5
549.10468	16.5
550.10706	2.7
551.11615	8.5
565.11511	12.5
573.10590	14.2
591.11560	15.0
592.11371	2.7
667.14545	61.3
668.14758	12.6
685.15533	63.7
686.15839	15.6
727.16180	7.4
728.16827	3.1
811.07324	2.3
847.20892	21.5
848.21436	7.0
907.22839	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	907.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84890	4.0
71.01382	18.0
72.99294	2.7
83.01369	2.3
83.12605	1.5
85.02958	5.0
87.00880	3.0
88.98800	2.5
89.02449	19.7
91.47473	1.4
93.03455	33.8
93.50689	1.6
94.03781	2.1
95.01387	1.9
101.02462	9.2
109.02923	1.7
113.02459	8.1
117.03475	29.2
119.03533	8.5
119.04987	2.5
121.02996	2.0
123.04465	2.6
125.02445	20.3
133.02917	2.2
134.03690	2.0
135.04504	5.8
136.01646	9.0
137.02437	4.9
143.03444	1.9
145.02980	3.6
146.03691	2.5
149.02420	4.0
150.03154	10.3
151.04053	10.5
161.02580	3.3
161.04510	2.0
162.03206	1.7
163.00328	1.6
164.01141	9.0
164.04782	2.4
165.01926	3.5
165.05560	22.9
175.00330	5.4
179.05617	6.0
195.06584	7.6
209.06004	3.8
211.03983	2.3
213.05534	1.5
223.03935	9.0
224.04376	1.7
225.05542	1.9
235.04045	1.7
237.05525	3.3
239.03429	1.7
239.07117	1.5
241.05020	6.3
251.03439	5.6
253.05048	33.0
255.02982	4.8
265.04907	2.4
267.02979	49.5
268.03391	5.5
269.04544	6.9
271.05948	2.7
271.09821	3.1
277.05093	4.5
279.02982	23.1
280.35565	1.7
281.04459	4.5
283.06161	2.8
283.09738	2.1
285.03970	2.5
291.03027	24.7
293.04578	33.9
294.04758	3.3
297.04031	12.0
297.11163	1.8
305.04721	2.0
309.04031	15.4
311.05609	6.2
317.08176	1.9
321.04004	5.5
323.05289	2.1
327.05014	2.9
333.04037	7.8
335.01794	2.4
339.04968	1.7
341.07736	5.8
343.06128	3.8
361.07300	2.8
369.13129	2.1
373.07089	2.0
385.07147	39.7
386.07434	3.0
387.14584	2.4
399.14563	1.7
403.08255	9.1
409.06909	6.7
411.04922	2.2
415.07916	1.7
427.08243	18.7
429.06174	12.6
430.06595	1.8
433.09555	7.1
439.08597	2.1
441.06161	3.4
453.06146	10.6
454.06778	3.2
461.10141	6.9
473.10730	4.7
479.11285	3.5
503.11301	5.0
515.19055	2.1
535.19818	1.6
547.10358	72.0
547.73145	1.7
548.10291	10.2
549.10199	5.3
565.11841	10.2
565.20294	2.9
583.21991	4.4
667.14240	9.1
697.25037	4.3
727.16577	100.0
728.16882	20.0
745.27209	4.5
809.29932	1.7
847.20880	51.1
848.20874	12.0
907.22717	11.3
908.23102	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	907.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89701	1.9
69.34717	16.7
71.01386	100.0
72.01693	1.8
72.99304	7.5
73.02943	4.7
79.18806	1.7
83.01394	4.8
85.02962	23.3
87.00882	5.7
89.02448	90.0
89.03004	4.4
93.03444	6.2
95.01360	9.9
99.00868	4.9
101.02447	46.4
106.05733	1.8
113.02452	35.7
119.03513	37.1
121.02924	5.8
122.03772	14.1
123.04495	1.9
125.02435	2.6
131.03464	3.1
136.01620	3.4
143.03445	10.9
149.02440	22.7
150.03227	76.9
151.03557	2.3
161.04530	11.0
162.03227	3.9
164.04767	3.7
165.01874	2.5
165.05582	75.1
166.05849	2.5
177.05544	3.8
179.05632	26.5
179.07095	1.9
180.04277	7.0
195.06625	56.9
196.06953	2.0
206.60075	2.4
223.13220	2.3
267.02908	5.2
293.04697	3.7
339.08817	2.9
369.13403	12.7
385.07123	4.6
453.06192	2.3
502.16028	2.8
517.18799	31.6
518.18701	4.8
531.18726	53.2
532.19330	7.3
547.10443	5.4
565.20697	2.3
679.24005	30.3
680.23999	6.8
727.26276	46.6
728.26617	10.9
745.27356	3.6
808.68646	2.3
907.32013	7.5
908.31146	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	907.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
67.30880	1.2
69.14367	1.2
71.01378	100.0
72.99314	8.3
73.02944	6.7
78.79507	1.3
83.01389	4.9
85.02949	26.3
87.00887	5.9
88.07723	1.1
89.02438	85.2
89.94920	1.1
90.30238	1.1
93.03458	5.1
95.01375	9.5
99.00912	2.0
101.01778	2.7
101.02438	46.8
101.03101	2.8
113.02441	35.7
119.03490	35.1
119.05151	1.3
121.02963	5.9
122.03725	14.8
123.04530	1.5
131.03488	4.7
133.02908	2.3
136.01649	1.6
137.02446	1.8
141.75671	1.4
143.03465	7.8
149.02449	23.5
149.04495	2.7
150.03221	81.1
151.03526	3.7
161.04529	10.9
162.03247	2.1
164.04720	4.5
165.05557	80.3
166.05980	2.1
179.03979	1.0
179.05598	25.1
179.07051	1.2
180.04283	5.8
195.06615	60.0
196.06947	2.0
266.14816	1.4
339.08615	3.8
369.13361	13.3
414.70999	1.4
502.16241	1.7
516.16541	1.7
517.18695	37.1
518.18817	3.5
531.18665	54.7
532.19147	8.7
679.23840	30.1
680.23956	5.2
727.26086	50.9
728.26379	8.9
745.27203	1.9
874.31812	1.4
907.34290	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	909.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02397	0.8
64.09373	0.7
68.99825	1.2
69.03455	2.4
69.79206	3.4
71.01385	38.1
72.99294	0.7
73.02956	9.8
81.03468	3.3
83.01387	6.5
84.02185	0.8
85.02955	45.5
89.02412	1.1
90.62202	0.7
92.87167	0.7
95.01368	4.8
97.02949	7.4
98.19931	0.7
99.00900	2.0
99.04511	3.5
101.02431	8.6
103.05525	1.0
113.02453	41.9
114.02809	0.8
115.05540	73.9
116.05862	3.3
116.92852	1.7
117.03475	3.0
117.07127	7.0
117.20997	0.6
119.03511	1.4
119.05008	1.2
121.00997	0.7
123.04499	1.9
125.02441	9.3
131.65938	0.7
143.03503	52.9
143.05020	6.5
144.03868	0.9
147.04527	55.3
148.04784	1.7
155.03494	2.9
161.04628	2.2
161.06079	26.1
163.03972	0.9
185.04651	1.0
187.04008	100.0
188.04375	5.8
203.05617	2.2
205.05064	1.3
311.66150	0.8
333.78818	0.8
368.89395	0.7
645.19818	3.3
909.28339	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	5.7
73.02928	1.1
85.02960	3.5
87.00873	1.8
89.02448	3.1
92.95853	0.8
93.03446	6.3
95.01385	1.3
99.00861	0.9
101.02427	4.9
105.03439	1.3
108.02177	1.4
109.02959	1.4
111.00916	0.8
112.45269	0.8
113.02451	4.0
117.03444	1.0
119.03516	0.9
119.04995	2.9
121.02960	14.9
122.03740	15.5
123.00889	1.5
123.04545	2.5
124.01698	1.0
125.02444	1.7
132.02177	13.7
133.02968	5.2
134.03738	34.8
135.04608	4.2
136.01654	4.5
137.02429	1.5
139.03917	1.1
145.02917	3.3
146.03735	36.1
147.04559	5.1
149.01491	0.8
149.02434	50.7
149.06068	6.9
150.03221	92.0
151.00337	1.1
151.03812	4.3
160.01653	70.1
161.02124	3.9
161.04736	1.4
161.06071	9.3
162.03230	1.0
163.04022	2.7
164.04794	32.3
165.05563	84.8
166.05873	2.9
167.03456	5.1
175.03990	93.0
176.04527	6.5
177.05576	1.5
178.02773	5.5
179.03458	1.6
179.07123	27.8
180.04277	5.9
180.07451	1.2
181.04907	1.4
187.03894	1.2
191.03473	1.7
191.07086	4.5
192.04269	1.2
193.05049	40.2
194.05348	1.8
195.06602	32.0
196.07027	1.6
207.06598	1.0
217.05017	2.9
221.06279	1.0
233.06105	1.6
234.07224	1.0
235.06082	27.9
236.06459	1.1
238.71164	1.0
239.07114	2.1
245.66611	0.9
250.06355	3.5
253.05150	1.5
254.05093	1.0
267.06659	1.3
282.08948	7.8
283.09723	1.0
285.04092	4.2
287.05829	0.9
295.08231	2.2
297.04034	2.4
297.07538	1.3
297.11276	2.0
312.10071	10.9
313.10422	1.8
322.07196	0.9
327.12369	31.5
337.09280	100.0
338.09634	6.4
341.10275	29.2
342.10513	2.0
343.11914	3.0
371.11502	7.4
375.14310	3.2
376.14841	1.1
383.11270	1.9
389.12311	7.9
390.12344	1.0
391.14209	1.7
403.08109	2.9
413.12338	1.5
425.12216	1.3
431.13428	4.8
455.13589	1.3
473.14383	2.4
485.14279	9.4
486.14697	1.4
491.19211	1.3
523.19702	2.2
533.16626	48.1
534.17206	5.5
565.20288	1.3
579.14697	2.2
639.24414	3.2
687.26306	3.3
713.24414	30.8
714.24768	7.1
729.23981	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	909.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	14.6
71.55355	2.5
73.02977	9.0
83.01369	2.6
85.02941	8.4
85.05402	1.7
89.03957	2.4
91.97563	2.1
93.03458	3.6
97.02937	4.8
101.02444	5.1
108.02171	2.3
110.81471	2.2
113.02458	10.0
115.05551	28.1
116.92859	2.4
117.03454	5.7
117.07108	2.0
119.05013	5.0
121.02972	7.1
122.03761	11.7
123.04579	2.3
126.90500	1.7
132.02165	8.0
133.02960	14.7
133.06685	2.4
134.03755	67.3
135.04550	30.2
136.01656	3.2
137.02408	6.8
137.13858	2.1
143.03513	11.2
143.05043	3.1
147.04527	23.2
149.02409	14.1
149.06039	5.5
150.03232	60.6
151.04074	1.8
159.04512	1.8
160.01674	29.3
161.02457	15.9
161.06065	8.7
163.03900	2.3
164.04701	2.2
165.04326	3.3
165.05569	34.5
166.05884	1.9
166.86787	1.7
175.04004	24.7
178.02684	6.3
179.03487	17.7
180.04202	3.5
187.03992	48.4
191.03554	2.6
193.05066	31.8
194.05489	2.1
195.06657	10.8
207.06523	4.8
240.86850	2.1
243.30606	1.8
270.66177	1.8
299.58832	1.8
317.34396	2.2
428.77258	2.3
448.45825	2.1
537.21533	3.1
571.89484	1.9
712.25751	5.1
713.26013	100.0
714.26599	17.8
767.27368	5.8
861.31262	18.9
862.30969	5.8
891.32050	5.0
909.33252	17.4
910.33612	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	911.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74625	0.7
68.99554	1.4
71.01385	2.5
78.58714	0.8
83.78436	0.9
85.02946	2.6
93.62141	0.8
94.06625	100.0
95.06948	2.6
101.02437	1.2
106.06634	6.6
106.63213	0.8
108.02169	4.4
109.02978	2.6
113.02460	2.1
115.05521	2.3
116.92885	1.0
119.04959	1.0
125.02477	1.1
129.05676	0.8
134.06125	50.8
135.06462	2.3
161.06129	2.0
163.03993	1.9
175.02455	1.1
187.03975	2.9
190.05106	1.1
211.05081	1.1
211.08766	1.7
225.06580	1.0
226.10959	1.0
227.08163	1.5
239.08258	2.2
239.11922	1.2
241.13452	51.6
241.81847	1.0
242.13814	4.1
253.06076	1.9
255.07715	1.1
265.09799	1.4
267.07773	4.4
268.08411	1.0
271.14914	0.9
279.07706	1.1
281.09296	3.4
283.10797	1.8
287.10541	0.9
309.08755	6.0
309.19702	0.9
310.09454	0.9
321.08707	1.9
374.14923	1.8
388.16357	0.9
390.17722	1.0
416.16000	1.8
519.23682	1.6
563.23004	2.2
613.19897	1.5
700.25110	1.1
835.32013	8.7
836.32288	2.8
867.34619	32.3
868.35065	7.0
911.33575	10.7
911.52063	2.3
912.33948	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.465
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68487	2.9
71.01385	17.1
72.99310	2.5
74.17262	1.5
83.01382	2.7
85.02942	2.5
87.00878	40.3
89.02449	1.5
91.34692	1.5
99.00900	1.5
101.02450	2.4
107.36159	1.3
111.00879	2.1
111.04527	2.2
113.02502	1.5
115.00382	64.0
121.02885	1.5
125.02391	1.9
127.00251	2.1
131.92589	1.4
139.00369	2.6
139.03946	1.8
151.03983	2.9
157.01410	4.1
171.10219	5.6
175.02478	100.0
176.02858	1.6
201.11301	4.9
253.09196	2.9
277.21747	16.4
278.21936	2.2
336.76526	1.5
627.83673	1.9
649.18213	1.5
793.44568	2.5
834.71753	1.8
846.02258	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	915.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33195	13.2
71.01384	34.7
73.02947	12.9
78.17063	1.4
81.03456	3.4
83.01408	7.0
85.02946	14.3
87.00884	2.9
89.02448	5.6
95.01369	2.9
96.95984	1.6
97.02970	2.0
98.19820	2.6
99.00864	5.5
99.04523	100.0
100.04876	1.6
101.01779	3.0
101.02441	46.6
113.02460	14.2
125.02450	56.4
135.04501	1.5
143.03525	8.0
145.03006	2.5
153.48297	1.4
159.02962	4.4
161.02464	2.6
161.04559	21.6
162.04881	1.5
165.01921	1.6
179.03552	1.8
206.08177	2.7
251.09325	1.9
269.10336	29.3
270.10611	1.8
311.11377	24.8
312.11710	2.9
351.14688	3.8
395.19467	1.7
413.14496	30.0
414.14893	2.1
415.16089	51.4
416.16418	4.6
433.11429	2.7
457.17123	90.5
458.17389	9.7
485.49445	1.6
529.13300	1.6
919.99030	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	917.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00321	1.0
70.86498	1.0
82.51962	0.5
83.01363	0.6
84.35918	0.5
84.94331	0.5
85.02978	0.9
93.03452	0.5
94.69626	0.4
97.77409	0.5
107.01400	1.5
117.03416	0.5
125.02386	0.6
135.00897	0.8
137.02434	0.6
143.05049	0.7
151.00378	2.9
151.01392	0.5
163.00423	1.1
171.04539	0.6
179.81302	0.5
183.04543	1.2
185.06042	0.8
187.03975	1.2
211.04037	1.5
213.05476	1.2
227.03490	16.0
227.43465	0.4
228.03783	1.1
229.05019	4.6
235.68933	0.5
239.03497	0.7
254.61673	0.5
255.02972	33.5
256.03610	3.9
257.04562	3.2
269.04648	0.5
283.02463	15.6
284.03244	39.6
285.04019	71.6
286.04373	4.3
327.05298	0.9
551.04242	0.5
593.15070	100.0
594.15417	13.4
594.24786	0.7
755.21100	0.7
917.25287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
64.55994	1.3
69.03432	1.4
69.42279	12.3
71.01382	45.3
72.99305	3.4
73.02947	16.1
75.00848	1.9
81.12115	1.3
83.01389	14.0
85.02950	28.9
86.00091	3.3
87.00873	6.0
88.98796	5.4
89.02448	11.8
91.05553	2.0
92.05832	1.7
95.01380	5.5
96.96002	2.0
97.02969	4.5
99.00868	8.3
101.02440	38.5
111.00877	6.9
113.02443	24.8
115.05531	16.8
116.05907	2.8
116.92844	12.7
117.03465	3.1
117.07084	3.1
119.03490	4.9
123.04510	2.6
125.02451	5.6
129.01967	2.4
131.03502	3.1
133.06557	1.6
136.01697	13.4
141.01944	2.4
143.03497	2.5
143.04999	2.4
151.04007	15.4
159.03001	3.0
161.04529	7.9
161.06056	9.3
163.03990	9.4
167.03578	1.9
175.02533	1.8
175.03903	2.2
187.03984	32.0
188.04347	5.8
205.05118	2.0
218.56371	1.7
221.86360	1.4
238.80127	1.4
357.13397	11.3
358.13727	5.7
361.72330	1.5
447.33173	5.4
461.23819	1.8
473.14844	2.1
560.04150	1.7
593.38763	1.7
609.38434	8.9
635.19415	3.0
636.20007	1.9
646.61298	1.7
755.44360	23.7
756.45068	4.1
771.44275	7.4
917.49646	100.0
918.50024	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	919.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29656	3.1
71.01384	8.1
72.99311	1.4
73.02943	2.9
76.90596	0.4
83.01401	1.1
84.37379	0.3
85.02956	5.5
89.02448	3.1
93.15434	0.3
95.01385	1.0
97.02946	1.0
98.20583	0.8
99.00869	0.5
101.02447	4.4
103.03999	2.0
106.86945	0.3
108.02170	4.2
109.02956	6.7
113.02465	2.1
119.03505	0.9
123.00819	0.7
123.04540	0.5
125.02439	0.5
136.01617	0.8
143.03444	0.5
151.04018	0.9
160.01540	0.4
161.04521	1.9
163.06116	0.7
175.03918	0.5
187.03931	0.4
193.05147	1.0
211.05920	0.3
212.04683	0.6
213.05540	12.1
214.05858	0.6
227.07025	0.4
240.04262	1.4
241.05051	35.7
242.05400	2.4
254.05872	0.9
255.06612	9.5
256.07401	79.3
257.07755	5.3
269.08160	1.1
270.08905	3.1
271.09756	67.7
272.10046	4.3
309.73639	0.3
313.10559	1.0
336.25534	0.4
337.09937	0.3
339.07089	3.6
351.12262	0.6
365.03912	0.4
379.12006	1.5
415.13855	1.7
433.14975	5.5
434.15314	1.0
579.20801	100.0
580.21082	13.6
581.20538	0.9
621.22278	0.4
647.19824	4.0
648.20270	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
65.05064	0.9
69.66579	2.7
69.66969	2.3
70.02989	1.2
70.56186	0.9
71.01366	2.2
72.00895	2.3
72.04528	1.9
74.02460	1.2
80.05049	1.1
82.02966	1.8
83.01377	3.6
83.05407	0.9
84.04543	2.8
86.02460	1.7
87.05642	8.5
88.04044	21.3
89.02429	1.6
94.02969	2.0
96.10819	0.9
97.02921	1.4
97.04093	1.8
98.02476	2.3
98.06097	3.9
100.04050	16.5
101.02419	3.4
101.03045	1.1
101.07214	2.2
102.05595	1.1
106.55733	1.0
110.06115	2.0
112.04055	6.6
113.03588	1.2
113.07228	2.6
114.01942	2.0
119.03483	1.2
123.05632	1.9
124.04051	7.0
125.02450	3.2
125.07175	1.9
126.05604	7.2
127.05156	5.3
127.08781	6.5
128.03543	23.5
128.07190	2.1
129.06689	6.2
136.04050	2.6
138.05627	2.2
138.09232	1.6
140.03563	1.4
141.06660	2.1
142.05095	3.2
143.08286	5.9
145.06166	1.3
145.09819	2.3
146.60110	1.0
153.06714	2.7
154.05075	2.4
154.09840	5.9
155.08282	2.2
156.11430	4.3
159.07738	2.5
160.06136	1.5
166.05095	2.4
171.07700	6.4
172.10887	2.4
184.06087	4.0
189.08818	3.6
195.11435	1.2
198.12512	1.2
199.07243	1.1
199.10849	2.7
202.07245	6.9
212.14059	1.8
216.13559	7.4
221.09520	1.5
228.13467	2.2
238.11981	8.1
242.11415	1.2
244.13138	1.1
256.12964	1.4
260.12460	4.8
282.11041	5.6
282.13730	1.1
283.17654	1.7
371.15622	3.9
389.16705	1.6
660.27130	1.7
831.32318	1.6
862.44794	1.2
902.36304	5.0
903.35431	2.2
920.37384	100.0
921.37561	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	921.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84625	2.9
69.03450	5.0
71.01377	15.0
73.02925	10.8
74.82565	2.2
80.36494	2.3
82.41253	2.5
83.01411	4.5
85.02933	6.3
88.98817	2.7
89.02422	5.4
97.02949	6.3
98.65867	2.4
101.02445	11.6
113.02434	3.5
115.05539	57.0
117.03487	3.0
117.07111	26.2
119.03522	3.4
123.01000	2.3
123.04540	15.2
125.02440	24.8
133.06612	3.8
143.03459	4.4
143.05043	7.9
148.93785	2.5
159.40471	2.9
161.06079	89.8
162.06439	4.2
163.03964	4.8
187.04013	100.0
188.04350	5.0
205.05045	3.7
230.41176	3.4
242.05972	3.3
248.17081	2.6
257.08020	3.0
285.04004	2.6
285.09747	9.6
323.11420	28.5
345.11902	9.8
433.15280	4.2
473.14578	24.2
474.15073	3.4
489.17648	3.5
511.14377	13.2
548.40436	2.6
779.23914	34.3
780.24036	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	921.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
64.51067	0.2
69.21568	0.3
69.21969	2.1
71.01382	5.7
71.72172	0.2
72.99311	0.6
73.02960	0.2
77.39204	0.2
83.01379	0.3
85.02942	1.3
85.03412	0.2
87.00884	0.3
89.02444	5.0
91.05498	0.2
93.03452	0.7
94.42592	0.2
94.78259	0.3
95.01391	0.5
97.45621	0.2
101.02446	2.5
113.02427	1.6
115.05537	64.2
116.05874	2.1
117.03471	1.8
117.07106	13.4
118.07433	0.5
119.03512	2.2
121.02934	0.4
123.04517	2.8
131.03453	0.2
143.03514	0.7
143.05023	6.5
149.02426	0.3
161.04666	1.0
161.06073	28.2
162.06398	1.0
163.66238	0.2
179.05614	5.0
187.03998	100.0
188.04341	5.1
205.05070	5.0
206.05350	0.3
221.09689	0.3
223.11438	0.3
296.40958	0.2
323.11224	0.2
326.40887	0.2
357.25781	0.2
367.10211	0.4
373.23340	0.2
385.11411	0.4
396.06802	0.2
427.83514	0.2
473.14499	62.4
474.14841	7.8
566.11688	0.2
653.20831	20.7
654.21155	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	923.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	2.5
73.02930	1.0
83.01374	1.3
85.02959	1.6
89.02446	1.0
93.03464	11.9
101.02458	1.9
123.04545	1.4
125.02433	6.3
132.02153	1.4
137.02449	3.6
151.00415	1.6
161.02454	1.2
164.01135	3.5
175.04045	1.2
187.04021	1.3
195.04584	1.3
198.03180	1.1
199.04004	2.6
209.05927	1.5
211.04036	2.3
214.02612	1.9
223.04008	3.1
225.01888	2.5
227.03499	14.5
228.04092	1.5
237.02107	1.3
239.03436	1.8
243.02963	6.8
251.03305	1.6
252.04172	1.3
253.01151	1.1
253.05055	20.2
254.02386	1.4
254.05370	1.7
255.02986	48.0
256.03448	4.3
265.05099	1.2
267.03003	15.2
267.05991	2.0
268.03818	1.1
269.00864	2.4
269.04599	2.0
271.06226	5.2
279.02786	1.9
281.00903	4.1
282.01660	1.7
283.02493	5.2
284.03287	12.8
285.03940	9.1
291.06506	1.9
293.00958	3.0
293.04550	2.7
294.01767	2.9
295.02463	10.0
296.03165	1.4
298.01190	2.7
307.02499	5.4
307.05679	1.7
311.02045	3.0
315.06696	1.4
317.04568	1.4
319.06314	1.5
331.06189	1.7
333.04395	1.2
335.05737	2.2
347.05621	2.4
348.06244	1.6
351.15759	1.1
359.05673	4.0
360.06403	2.2
361.02863	2.1
361.07187	34.2
362.07574	2.2
371.05576	1.2
375.04861	2.6
376.06015	3.7
387.05130	8.3
388.05896	1.6
389.06741	2.3
400.06033	1.1
401.06900	1.6
403.04544	7.1
404.05289	5.5
405.06149	1.6
413.06464	1.3
415.04471	4.0
417.05817	1.4
431.03943	2.8
432.04709	6.2
433.05820	2.0
433.11520	3.4
445.05640	7.2
446.05719	1.5
489.10397	17.1
490.10367	2.0
495.10577	1.7
517.09790	1.2
521.08746	1.9
538.09100	7.8
539.09790	8.9
623.14117	8.9
624.14893	1.8
625.12024	3.5
683.13672	2.1
699.16907	1.1
743.16187	100.0
744.16431	16.1
748.10675	1.0
752.99780	1.2
780.48407	1.1
868.84528	1.1
923.22424	18.6
924.22583	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	923.34
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10512	1.1
69.03465	1.8
69.24672	4.1
69.25097	6.1
71.01382	45.3
72.60420	0.9
72.99323	2.9
73.02946	21.8
77.01579	1.0
83.01389	7.7
85.02962	10.3
87.00887	4.1
87.04511	2.8
89.02446	25.9
95.01396	3.5
97.02954	1.8
99.00903	2.5
101.02444	37.9
107.05017	1.7
108.76771	1.0
113.02453	19.9
113.03233	1.5
119.03509	14.1
125.02451	3.9
131.03523	2.9
137.02524	1.7
143.03502	4.6
149.04552	2.9
153.01907	1.1
155.04907	1.0
161.02452	4.3
161.04538	9.4
163.06093	1.7
164.01160	2.0
179.03505	13.4
179.05632	3.1
185.11804	1.7
187.13396	18.0
189.01994	2.5
205.07185	1.2
221.06683	1.1
249.03911	1.3
253.05093	2.0
253.14543	1.4
331.17609	32.7
332.18042	1.4
349.18631	50.8
350.19073	4.1
391.19720	100.0
392.19983	7.9
743.15765	1.5
874.81262	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01393	1.6
71.32291	0.4
71.56356	0.4
85.02968	1.2
91.05538	7.1
93.03442	0.7
95.05045	0.7
96.02695	0.5
101.02435	2.1
105.03481	0.6
109.29783	0.4
111.92536	0.4
113.02438	1.0
115.05540	62.1
116.05888	1.6
117.03471	3.0
117.07111	10.9
123.04529	22.4
125.02428	0.7
133.06586	4.0
135.04509	1.2
143.03517	1.4
143.05006	5.4
144.05336	0.5
145.06624	0.6
149.02425	0.4
159.04520	1.1
161.04628	1.4
161.06076	24.1
162.06464	1.1
163.04008	13.4
164.04419	0.4
165.05655	0.5
177.05524	0.6
187.04002	100.0
188.04326	4.6
205.05055	7.8
247.76685	0.5
285.09805	4.6
307.06219	1.0
359.16309	0.5
399.85123	0.5
473.14493	17.8
474.15067	2.4
491.15610	17.8
492.15784	1.9
515.15302	1.4
679.20227	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	925.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21905	0.3
69.27268	1.0
69.27704	1.3
71.01382	1.4
73.02930	0.7
79.52313	0.2
82.82705	0.2
83.01383	0.4
85.02964	1.3
91.05526	6.2
92.05842	0.3
94.06622	0.8
95.01341	0.3
95.05022	1.1
95.12218	0.2
97.02920	0.4
98.20662	0.4
101.02424	1.5
105.03464	0.4
113.02460	1.4
115.05534	58.2
116.05875	1.7
117.03471	3.0
117.07101	10.7
119.04953	0.3
121.02952	0.6
123.04522	22.1
124.04832	0.4
125.02439	0.9
131.05011	0.3
133.06599	4.1
135.04489	0.8
136.04929	0.3
141.07150	0.4
143.03485	1.5
143.05026	5.5
144.05293	0.3
147.04547	0.5
149.06085	0.3
159.04521	0.7
161.06067	24.3
162.06398	0.8
163.04010	14.2
165.05551	0.8
177.05548	0.5
187.03998	100.0
188.04346	5.3
205.05045	7.9
229.05174	0.4
285.09802	5.7
349.08954	0.4
415.11325	0.3
415.25436	0.3
473.14496	19.1
474.14856	2.4
491.15625	13.6
492.15771	1.7
507.21695	0.3
515.15607	2.4
516.16388	0.4
587.16803	0.4
679.20367	2.3
680.20496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96449	0.5
70.02873	2.7
70.22105	0.5
71.01385	2.7
73.02957	0.7
77.71809	0.5
79.64021	0.6
83.01402	0.6
85.02940	1.0
89.02447	1.8
101.02468	1.5
113.02443	1.8
119.03548	0.8
125.02449	0.8
151.00365	2.2
167.02119	0.5
178.99791	0.6
183.04372	1.0
211.03983	1.3
227.03499	33.4
228.03888	2.4
255.02983	40.8
256.03619	6.3
284.03268	44.0
285.03976	11.1
327.05396	1.3
341.10861	1.1
403.19626	0.7
409.10098	3.1
439.16135	0.8
447.09326	100.0
448.09689	9.7
477.10770	1.0
485.38281	0.7
583.23706	0.7
608.39807	0.6
834.76855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74596	2.5
69.03468	2.7
69.90513	4.1
69.90927	6.8
71.01384	71.8
72.99303	8.9
73.02946	22.3
78.74339	2.0
83.01406	7.2
85.02954	31.6
86.00114	6.1
87.00887	25.7
87.04505	8.6
89.02441	32.6
91.05544	2.3
93.69494	2.0
95.01394	4.3
97.02959	2.1
99.00866	5.7
101.02452	41.5
113.02438	21.0
114.63219	2.4
115.04012	8.0
115.05536	26.3
116.05862	6.6
117.07121	5.6
119.03519	12.6
123.04503	8.4
125.02426	6.1
127.04066	1.9
131.03490	14.9
133.06555	3.4
143.03465	16.3
143.05031	2.1
145.04971	2.8
150.03041	2.0
161.04750	2.7
161.06081	15.7
163.04089	5.1
163.06111	14.5
165.05482	2.4
187.02324	2.0
187.03996	37.3
188.04323	16.9
189.04521	2.6
205.05179	4.6
205.07161	13.7
206.05536	2.3
247.08209	4.4
427.98618	2.2
473.14697	4.3
474.14890	3.9
475.15527	2.1
491.15799	3.1
493.16354	3.0
601.39337	5.7
635.39966	3.7
723.17834	2.3
781.45905	30.9
782.46149	4.2
927.51776	100.0
927.70428	5.0
928.51837	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	929.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	0.8
69.24803	1.0
69.25209	2.6
71.01388	10.8
72.99298	0.7
73.02946	3.4
75.00859	0.4
79.05532	0.4
81.07104	2.6
83.01388	1.5
83.05035	1.2
85.02961	6.4
87.00889	0.8
89.02447	3.5
93.03458	0.9
94.04227	0.4
95.01389	2.1
95.05022	0.9
97.02980	0.7
98.19875	0.8
101.02450	9.6
108.02216	0.4
109.06596	6.7
113.02454	12.8
114.02763	0.5
116.92850	0.4
119.03493	2.4
121.02957	0.8
123.04528	19.9
124.04855	0.7
125.02448	0.4
125.06069	0.5
127.07657	29.2
128.07997	0.7
131.03513	1.1
134.15317	0.4
138.03236	8.4
143.03493	2.3
145.47501	0.4
146.03778	0.8
149.02501	0.5
149.04572	2.0
151.03983	0.4
153.05580	100.0
154.05927	4.1
161.02461	0.6
161.04575	4.9
166.50203	0.4
171.06638	17.3
172.07005	0.6
179.03546	0.8
179.05611	1.1
179.07162	1.8
195.06613	0.4
203.05641	0.5
221.06668	2.6
256.96573	0.4
285.09888	0.5
327.12061	0.4
333.11758	0.6
339.12442	0.8
393.14050	2.8
439.16083	61.2
440.16437	6.6
481.17249	2.3
482.17566	0.5
604.92865	0.4
619.22784	0.6
661.23492	45.4
662.23828	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	929.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	1.7
71.01381	14.0
72.99305	1.0
73.02937	2.1
83.01372	1.3
83.45222	0.6
83.63481	0.6
85.02953	3.9
87.00877	3.5
89.02441	11.2
95.01382	1.4
97.02938	2.4
98.19857	1.5
99.00877	1.3
101.02445	10.8
105.01972	0.8
113.02451	7.6
119.03502	3.7
124.50084	0.7
125.02445	5.2
131.03459	0.8
133.05034	0.7
143.03479	1.8
161.04555	3.0
179.05589	3.3
181.23074	0.7
183.13895	7.3
193.12314	2.0
211.13387	100.0
212.13678	5.9
221.06631	1.4
235.08229	4.1
253.09395	1.2
259.08160	0.8
277.21707	46.7
278.22104	3.8
287.07718	1.7
305.08817	1.6
310.20959	0.7
323.09958	1.5
379.12460	11.5
380.12527	1.3
397.13486	37.3
398.13736	2.1
415.14566	8.0
520.09778	0.7
591.26593	6.5
609.27502	5.8
610.28180	1.0
657.34906	1.7
675.35815	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	931.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.7
76.94104	0.2
82.71199	0.2
83.01382	0.8
85.02958	0.3
93.03478	0.6
98.19875	0.7
107.01392	1.9
109.02971	0.3
117.03454	0.7
123.04508	0.8
125.02405	0.3
132.02187	1.4
133.02980	0.5
134.03714	0.7
135.00871	0.8
135.04468	0.4
137.02444	0.3
143.05034	0.3
151.00377	4.2
154.04173	0.5
155.05043	0.5
159.04521	0.7
160.01656	3.5
161.02449	1.0
163.00368	1.0
165.01903	0.3
169.06609	0.6
171.04529	0.9
175.00363	0.3
175.04005	2.6
175.06418	0.2
178.99899	0.3
183.04465	1.3
185.02580	0.4
185.06078	1.4
187.03995	1.1
193.05023	0.3
195.04353	0.3
199.04005	0.6
201.05609	0.3
211.04021	1.6
212.57916	0.2
213.05560	0.8
214.02618	0.5
215.03506	0.4
227.03506	9.6
228.03966	0.6
229.05066	3.1
239.03476	0.9
240.04161	0.5
241.05043	0.7
243.02986	0.4
255.02974	24.8
256.03568	2.1
257.04630	2.0
267.03049	0.4
269.04572	0.3
283.02484	16.2
284.03241	23.8
285.04028	100.0
286.04391	6.2
299.05566	3.6
300.02719	0.9
300.05905	0.5
300.61325	0.3
315.05054	2.3
323.07660	2.0
327.05023	0.9
353.08493	0.3
517.26660	0.4
593.15088	30.8
594.15424	4.0
623.14063	33.5
624.14288	4.7
931.25378	3.1
932.24982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84727	2.1
69.85123	4.7
71.01388	2.2
76.19728	1.6
83.01373	7.2
89.02425	4.1
93.03460	11.6
95.04987	1.8
97.02930	7.9
101.02439	2.9
107.05053	1.8
109.02950	6.1
113.02499	1.7
119.05025	2.6
123.04554	3.2
124.01660	2.5
125.02451	29.5
133.02950	4.6
134.03758	5.1
135.04539	15.7
137.02441	90.1
138.02829	1.2
143.05066	2.0
145.02960	2.9
149.02458	10.5
159.04477	1.7
161.02469	2.1
161.06078	2.3
163.00415	2.1
163.04004	2.5
164.01155	22.7
165.01945	8.7
169.06607	3.0
171.04509	3.8
175.04088	3.0
177.01938	2.3
181.06586	1.7
183.04520	2.3
185.06056	3.4
187.03886	2.1
187.07603	4.5
189.05502	2.9
201.05426	1.4
203.07150	5.1
205.08736	3.0
209.06055	6.2
211.04015	1.5
211.07625	3.6
213.05608	2.0
217.04984	1.7
225.05453	3.1
227.07098	3.8
228.04102	2.2
229.05063	5.2
229.08664	4.7
240.04443	2.2
243.06639	2.4
253.05061	46.6
254.05435	3.2
255.02881	2.8
255.06659	23.0
265.05032	2.3
266.05728	1.7
267.06674	2.4
270.05338	2.1
271.06113	33.7
272.06458	2.4
273.04553	1.8
273.07639	17.9
293.08194	5.4
294.05618	2.2
295.06235	3.6
305.08051	2.2
335.09091	2.2
347.09167	3.1
373.07010	2.5
377.10458	1.8
383.09195	3.0
391.08322	3.2
403.08276	1.4
433.11349	26.1
434.11792	3.3
435.12930	100.0
436.13300	11.7
527.13983	1.9
553.13477	1.6
571.14581	9.5
572.14661	2.7
645.19556	2.2
663.59875	1.6
671.17810	9.3
689.18719	25.8
690.19537	3.5
743.21826	4.3
869.25159	41.0
870.25470	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	932.486
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96980	10.9
69.97392	5.0
78.95899	27.3
99.54712	2.6
99.64845	2.4
102.35377	2.4
109.81629	2.7
137.78659	2.7
152.99573	44.1
153.99976	3.3
211.13365	12.3
212.13788	7.5
225.64398	3.0
227.03322	4.7
255.20598	5.8
255.23291	100.0
256.23615	46.6
277.21658	4.3
278.21933	5.6
279.23157	6.4
447.25116	3.4
483.27359	88.9
484.27600	72.3
485.28195	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	933.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70940	0.4
71.01381	6.1
73.02937	2.5
74.14297	0.3
77.03961	1.5
79.01894	0.8
83.01380	1.1
85.02953	2.5
86.16332	0.3
89.02431	0.5
93.03481	1.8
95.01405	0.4
97.02940	0.7
99.00887	1.0
101.02446	4.7
103.04018	0.4
105.03445	0.9
113.02456	2.3
117.03467	9.1
119.05032	1.2
121.02173	0.3
121.02937	2.2
125.02443	1.2
135.04529	2.0
137.02435	0.6
143.03513	0.5
145.02972	0.5
147.04512	0.5
149.02417	2.0
159.03232	0.3
159.04491	1.9
161.02467	3.3
161.04527	4.0
163.00403	0.9
163.04033	3.2
165.01898	0.8
171.28728	0.3
179.03490	0.8
183.04591	0.4
191.03447	1.6
191.37297	0.3
193.01472	0.4
195.04655	0.5
196.05255	0.4
197.06122	0.9
203.03487	0.7
211.07600	0.9
215.07101	0.8
224.04755	0.5
225.05484	0.6
229.01639	0.3
229.03917	0.4
239.07079	1.5
241.04745	0.4
243.06702	0.4
251.09213	0.4
255.06654	0.4
268.03842	3.1
269.04550	2.5
269.10315	5.4
281.04565	2.8
282.05237	1.4
283.06113	47.1
284.06424	3.1
293.04443	2.0
295.05981	1.2
309.04083	0.5
311.05603	87.8
312.05930	6.3
314.04153	0.8
323.05661	3.5
341.06595	8.7
353.06775	0.7
415.16098	16.7
416.16385	1.7
431.09802	100.0
432.10117	9.4
457.17130	23.4
457.23575	0.7
458.17346	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	933.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
68.81828	0.5
71.01390	5.8
71.88842	0.4
72.99309	1.1
73.02963	2.5
83.01383	1.0
85.02959	4.0
87.00904	0.6
89.02464	3.5
95.05022	2.4
97.02947	0.9
101.02444	3.3
103.04033	2.3
105.03461	0.6
113.02449	0.8
119.03489	0.8
122.76976	0.4
123.04530	36.9
124.04876	1.2
143.03445	0.5
149.02415	0.7
159.04459	0.4
161.04529	1.0
163.06142	0.7
209.92043	0.5
212.04721	0.7
213.05566	11.0
227.07050	1.1
240.04295	0.7
241.05067	35.9
242.05385	2.1
254.05786	1.1
255.06596	8.6
256.07407	76.0
257.07819	5.3
269.08167	1.2
270.08987	3.0
270.68320	0.4
271.09750	71.3
272.10040	5.3
285.09836	1.5
306.82413	0.4
313.10809	1.3
337.10641	0.9
351.12308	1.0
353.08762	6.7
379.11813	1.6
388.62790	0.5
415.14240	1.1
433.15045	7.2
561.19891	0.9
579.20807	100.0
580.21167	13.4
603.20734	0.5
621.21863	1.2
647.19806	8.2
648.20306	1.7
673.93042	0.5
912.98505	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
64.69882	2.3
66.22612	2.5
71.01383	28.9
71.56871	2.5
73.02942	5.7
74.62705	2.3
75.05698	2.5
81.03517	2.6
83.01369	5.3
85.02943	12.0
87.00854	2.8
87.24548	3.5
87.25172	2.5
89.02428	18.0
99.00899	2.9
101.02442	15.7
113.02460	16.2
119.03476	5.3
123.04485	2.8
125.02460	3.8
134.06108	3.3
143.03487	4.4
158.32129	2.7
161.04564	8.8
163.04022	3.8
179.05548	6.3
180.56793	2.7
227.06993	4.9
323.09589	4.6
339.12683	2.6
341.10840	31.2
389.12259	6.3
394.66287	3.1
409.09814	100.0
410.10168	5.0
433.15207	4.0
461.23981	24.7
462.23889	4.2
529.22815	35.9
530.22595	3.5
755.29663	3.3
813.29578	7.1
845.32770	15.9
934.33307	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	934.356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	96.0
73.02921	21.2
79.52942	18.1
85.02970	43.1
88.98780	26.0
89.02420	25.9
101.02428	56.1
110.53158	18.3
113.02473	43.2
114.23666	16.3
116.92871	38.1
123.04530	48.3
124.00802	19.8
125.02441	21.3
161.04453	24.1
165.09207	31.1
179.07167	71.4
241.04982	33.6
256.07339	43.8
271.09756	60.5
409.11148	28.3
461.23773	100.0
462.24353	30.6
529.22821	57.8
629.70868	19.5
773.46942	45.1
846.50928	19.8
898.37610	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	935.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
66.80345	2.3
69.24805	20.2
69.25137	2.3
71.01393	28.2
72.79417	2.0
72.99310	4.2
73.02946	8.4
83.01384	5.0
85.02941	8.7
87.00868	4.0
88.98788	2.4
89.02438	7.9
95.01397	4.9
95.22492	2.2
98.83556	1.9
99.00903	3.0
101.02419	14.2
106.06623	4.0
108.02195	2.8
111.00867	2.3
113.02444	8.8
116.92863	3.8
121.02926	3.0
122.06107	3.7
123.04547	2.8
125.02455	3.9
134.06123	38.9
137.02394	2.9
146.03726	3.4
148.07703	2.9
149.02432	7.4
150.03183	7.9
152.07138	4.7
161.04584	7.2
162.05598	3.6
164.04773	3.8
165.05536	9.1
167.03493	3.3
176.07195	2.2
179.07184	6.0
190.02728	2.0
190.05043	4.7
190.08670	2.1
192.30118	2.4
193.05115	2.3
195.06673	5.9
204.06708	3.4
205.05167	2.0
222.08014	2.0
235.08644	2.2
239.11958	2.8
249.10214	4.7
261.10410	4.1
263.08334	4.1
263.11661	2.2
264.09067	2.6
265.09692	7.8
269.10303	2.2
273.10352	2.8
277.09763	6.6
279.11230	5.3
289.10214	2.2
291.07950	3.0
291.11249	3.5
293.09369	4.1
296.11298	1.9
303.11246	2.4
305.09357	4.1
307.11078	4.0
312.09784	3.2
321.08826	2.8
321.12320	3.2
327.12201	8.3
329.08893	2.6
332.42899	2.0
335.10504	2.8
337.08862	3.4
337.12247	4.9
369.13480	2.3
375.14319	2.9
381.33691	2.2
396.17593	2.4
519.24609	4.4
646.24042	3.1
648.22144	7.0
662.24554	2.6
663.25073	2.6
690.23169	30.6
691.23608	7.9
692.24225	7.8
693.24915	2.5
706.26526	8.8
722.25641	100.0
723.26306	38.1
724.27417	13.0
734.25342	9.5
735.26379	6.1
736.27454	10.8
752.26556	5.8
785.30115	2.6
813.29681	4.6
845.32507	11.0
857.31549	2.9
935.30420	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	937.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83743	6.0
71.01395	14.5
71.13588	14.2
71.13961	9.9
89.02435	12.1
97.22192	5.9
99.92582	14.4
101.02471	7.3
112.98563	11.8
113.02399	7.0
116.92863	49.5
211.13396	100.0
277.21765	45.4
294.67429	6.2
298.26862	8.5
379.12405	14.2
397.13559	47.9
415.14630	9.4
591.26721	15.6
609.27039	16.1
647.50293	7.5
869.49329	15.3
937.49298	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68903	8.4
69.24330	85.6
71.01382	20.6
73.18304	7.0
79.93501	7.5
89.02420	10.3
98.19806	17.9
101.02438	12.3
106.20522	7.7
109.45218	9.3
113.02410	10.7
116.92847	44.4
125.08715	8.3
136.95956	8.5
169.28508	7.7
211.13403	100.0
272.88528	8.7
277.21646	51.2
278.21970	10.1
367.62857	8.5
379.12442	14.1
397.13565	66.4
415.14447	11.4
733.68756	8.8
869.49060	14.2
937.49432	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51427	0.9
71.01385	4.0
73.44393	0.8
74.83775	0.7
78.17897	0.9
83.81818	0.9
85.02948	3.1
89.02431	1.2
93.03458	2.2
98.20605	1.8
101.02448	2.8
108.02187	2.0
113.02422	1.7
117.03484	0.9
119.05011	2.0
121.02935	5.2
121.22251	0.9
122.03760	7.2
123.04500	1.7
124.01699	1.0
132.02174	14.2
133.02980	4.2
134.03745	24.2
135.00923	1.0
135.04520	2.9
136.01665	2.4
137.02452	4.3
145.02945	2.7
146.03743	36.5
147.04453	3.6
149.02454	14.8
149.06009	4.6
150.03223	44.2
151.03972	2.0
153.05582	1.6
160.01662	67.3
161.02452	7.4
161.06116	8.3
162.03146	2.6
163.03998	2.8
164.04794	25.9
165.01942	22.4
165.05568	43.9
166.02609	3.0
166.05896	1.6
175.03999	76.3
176.04643	6.6
177.05597	2.3
178.02719	3.2
179.02046	1.8
179.03519	17.1
179.07124	29.3
180.04294	15.7
180.07497	1.6
181.05099	4.1
190.02724	1.3
191.07114	3.0
192.04305	1.5
192.96370	0.9
193.05038	26.1
194.05817	10.2
195.02914	1.4
195.06622	33.6
196.06940	1.4
205.05046	2.1
207.06622	1.0
209.08182	8.6
210.05231	1.6
217.05034	2.0
225.07666	4.0
235.06071	6.9
239.07120	1.3
250.06564	1.3
270.08856	0.9
282.08936	1.9
299.09244	1.6
327.08795	3.9
337.09286	100.0
338.09735	8.2
341.10269	9.5
342.10770	5.5
343.11850	2.4
357.13425	7.7
367.10403	1.4
371.11490	1.7
373.12918	7.3
389.12469	1.5
405.15707	2.8
421.15125	14.3
422.15439	1.2
425.12372	1.2
431.13312	1.5
485.14517	3.1
499.56735	1.1
533.16626	34.0
534.16925	5.2
553.20984	1.5
601.23163	1.9
673.51740	1.1
729.22839	1.0
743.25665	8.7
744.26160	2.2
759.25073	19.0
760.25861	2.9
939.33984	8.7
939.64075	24.7
940.33813	1.3
940.64172	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	2.5
69.80842	4.4
69.81253	4.5
70.74679	1.6
71.01381	77.5
72.99288	3.1
73.02950	14.8
75.00864	2.1
83.01385	18.0
85.02941	25.5
87.00889	8.1
88.98821	3.9
89.02444	60.8
91.09030	1.4
95.01390	9.9
97.02945	4.0
99.00879	6.2
99.04457	1.8
101.02445	55.0
103.00359	5.0
111.00874	1.8
111.27955	1.9
113.02444	46.5
114.64737	1.8
115.05531	4.8
119.03517	20.2
121.03021	2.0
123.04488	1.7
125.02429	5.8
127.00362	2.3
131.03490	6.7
138.67136	1.6
139.00375	1.9
141.37297	1.6
143.03499	15.1
149.04497	3.1
150.03214	1.7
154.19846	1.6
161.04591	18.9
161.05945	3.3
163.04074	1.5
175.02461	2.4
179.05612	22.2
187.04047	4.1
199.02530	4.1
203.05589	1.9
204.96295	1.7
213.78610	1.7
221.06558	1.8
229.03580	2.6
245.06706	2.0
247.04541	3.8
271.04349	2.1
289.09201	2.1
305.08649	4.5
323.09738	8.1
341.10861	100.0
342.11194	4.4
365.10941	2.2
379.08597	2.6
383.24292	6.2
409.09860	96.7
410.10223	7.1
452.96042	2.1
529.30115	56.2
530.30139	8.4
571.30682	2.6
597.20422	2.9
597.29144	34.5
598.29352	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	941.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
67.39419	0.8
69.03452	2.8
71.01385	5.5
73.02966	1.5
83.01391	6.2
85.02937	4.7
89.02430	1.2
91.05524	6.3
93.03488	2.7
95.01388	3.2
97.02937	4.8
99.00906	2.1
101.02435	2.3
108.02184	4.7
109.02952	0.9
111.00887	3.3
113.02438	5.9
115.05540	62.3
116.05877	2.7
117.03485	1.4
117.07109	17.1
123.00842	2.4
123.04545	6.7
125.02428	1.7
129.01927	2.1
129.07106	2.3
133.06601	6.5
135.04520	2.0
136.01648	1.1
141.01968	10.0
143.05043	6.0
145.06625	1.8
159.03056	1.1
161.04742	1.8
161.06076	31.6
161.07430	1.7
162.06494	1.8
163.04004	8.0
163.06126	1.1
163.07617	1.8
169.06592	1.9
171.08162	1.2
173.06047	3.0
175.07645	7.3
181.06554	2.0
185.06122	2.1
187.04002	100.0
188.04358	3.8
191.07262	1.0
197.06064	5.3
198.06906	1.1
199.07634	19.2
200.07951	0.9
201.03989	3.4
201.05652	1.9
201.09285	1.0
205.05032	8.0
215.06985	0.9
219.06731	1.0
223.06143	3.8
225.05574	7.5
241.53033	0.8
243.06734	5.4
259.09763	1.4
261.06229	1.0
285.07547	1.2
287.05463	1.0
287.71506	0.9
316.24921	0.9
367.10352	3.0
388.33777	0.9
388.39304	0.8
467.12045	1.7
473.14478	37.6
474.14740	4.4
491.15622	6.3
511.16180	1.7
515.15564	8.6
529.17212	1.9
531.15137	10.4
533.16663	3.2
555.15082	17.1
556.15149	1.6
573.16089	10.0
585.16241	1.8
597.15967	2.9
615.17169	4.1
735.21411	2.1
793.37555	0.9
892.49426	1.0
941.50873	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	941.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21158	4.0
71.01383	15.5
72.99310	1.0
73.02938	3.0
81.03413	0.4
83.01402	1.9
84.02195	0.4
85.02951	9.7
87.00867	1.8
89.02444	7.6
91.05545	0.6
93.03474	1.0
95.01357	1.8
95.05030	0.5
96.95996	0.5
97.02961	1.3
99.00879	5.5
101.02439	10.9
102.02744	0.4
108.02157	0.5
109.02953	0.3
113.02448	12.7
115.05537	84.1
116.05872	3.2
116.92831	0.6
117.03465	2.4
117.07108	8.0
118.07397	0.6
119.03493	3.7
119.05105	0.4
121.02966	0.5
122.06181	0.3
123.04527	6.5
125.02444	1.6
131.03510	0.7
137.02438	1.2
143.03519	2.7
143.05020	7.6
150.03204	0.7
151.04077	0.4
152.07176	1.1
153.01836	0.4
153.05536	1.1
159.03026	0.4
161.04565	8.2
161.06088	10.7
164.88811	0.4
165.01971	0.5
165.05573	1.1
175.04010	0.4
179.05612	1.7
187.04004	100.0
188.04353	4.5
195.06628	0.6
203.05687	0.6
205.05092	2.4
221.06573	0.7
249.09200	0.4
323.09811	41.8
324.10126	2.0
447.15015	8.5
477.43732	0.5
481.78644	0.4
520.99768	0.4
521.07574	0.4
635.19781	20.3
636.20215	3.1
941.31091	1.0
941.51849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16219	0.3
68.99812	0.8
69.03448	1.9
71.01382	30.4
72.01710	0.5
73.02952	7.5
75.00866	0.6
81.03445	1.8
82.52071	0.4
83.01382	4.9
85.02952	31.2
86.03241	0.4
87.00859	1.1
87.04509	0.4
89.02431	1.3
91.05549	1.9
95.01398	3.8
97.02944	5.8
99.00884	2.1
99.04520	1.9
101.02446	8.9
101.34277	0.3
109.12985	0.3
111.00861	0.4
113.02453	31.0
114.02735	0.6
115.05539	44.1
116.05874	1.4
117.03454	1.4
117.07105	32.8
118.07433	1.6
119.03500	1.0
123.03615	0.7
123.04525	12.4
124.04828	0.6
125.02448	8.3
127.84386	0.4
131.03511	1.0
133.06593	2.3
135.04489	0.4
143.03502	39.2
143.05000	3.9
144.03827	1.2
149.04506	1.3
155.03529	2.5
161.06076	100.0
162.06418	5.2
163.03983	1.0
179.05550	0.5
185.04533	0.8
187.04001	76.6
188.04329	4.6
203.05585	4.3
205.05058	5.3
206.05289	0.5
223.06190	0.6
229.08061	0.5
263.07675	0.6
271.06088	0.5
285.09824	6.2
286.10236	0.5
303.33142	0.3
323.11346	24.0
324.11813	1.4
343.80618	0.4
345.11862	9.2
346.12155	0.9
409.11557	0.6
469.13516	9.9
470.13943	0.8
473.14511	17.1
474.14792	1.6
489.17578	4.4
490.17987	0.5
616.49927	0.4
737.22986	39.6
738.23254	6.7
943.52747	2.6
944.52686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.287
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25614	1.1
71.01379	27.5
72.99280	1.1
73.02946	10.2
77.85590	1.3
81.03462	1.5
83.01400	5.4
85.02952	31.8
91.05520	2.2
95.01366	3.4
95.04899	1.2
97.02949	5.3
99.00859	1.6
99.04546	2.1
101.02449	11.3
105.35854	1.3
113.02446	30.5
115.05540	48.1
117.03450	2.4
117.07110	30.3
119.03499	1.2
123.04531	13.0
125.02466	8.2
125.81313	1.3
143.03500	41.9
143.05008	4.1
155.03424	2.2
157.88547	1.2
161.04642	4.4
161.06075	100.0
162.06400	5.5
173.84639	1.3
187.04002	78.1
188.04341	5.5
194.49809	1.2
199.23598	1.3
203.05640	3.2
205.05031	4.4
285.09805	4.1
285.99023	1.4
323.11340	22.6
345.11911	8.4
438.95648	1.5
469.13736	8.3
473.14600	17.9
474.14581	1.9
489.17737	4.4
737.22961	37.7
738.23425	8.7
924.31073	1.6
943.52039	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	943.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58098	0.4
71.01385	12.1
72.99311	0.7
73.02941	1.9
76.39051	0.4
77.85250	0.4
81.03464	0.4
83.01399	1.2
85.02957	9.1
87.00900	0.6
89.02450	4.4
91.05536	13.8
95.01415	1.2
97.02950	1.6
99.00889	0.4
99.04504	1.1
101.02438	4.6
111.53860	0.5
113.02457	10.7
115.05540	21.1
116.05887	1.0
117.03468	0.7
117.07110	56.9
118.07428	2.4
119.03513	1.5
125.02447	2.8
131.03505	0.4
133.06595	6.2
135.04501	1.1
143.03503	23.2
143.05040	1.4
161.06081	100.0
162.06413	5.0
163.03999	5.7
177.05562	0.6
179.05603	3.2
182.26814	0.4
187.04004	62.9
188.04372	3.2
203.05605	2.1
205.05055	52.1
206.05417	2.7
223.06102	7.8
263.07825	1.0
265.07208	3.2
348.10837	0.4
349.09341	2.5
350.90863	0.4
385.11441	1.4
409.11377	4.5
469.13501	36.0
470.13773	3.7
473.14404	0.5
545.18842	0.4
615.17792	0.6
675.19250	22.0
676.19818	3.7
715.26624	0.6
837.24554	9.6
838.24469	2.3
943.52271	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	2.2
70.93758	2.2
71.01384	48.5
72.99301	2.2
73.02946	23.0
75.00863	0.9
81.03442	2.2
83.01389	9.3
85.02953	37.5
87.00883	2.6
88.98789	1.1
89.02451	3.8
91.05548	4.5
93.03511	1.0
95.01383	4.8
97.02975	6.8
99.00900	3.3
99.04523	2.8
101.02442	21.9
111.00869	1.7
113.02453	45.9
115.05542	61.2
116.05878	2.8
116.92890	1.3
117.03466	2.9
117.07107	29.8
118.07436	1.7
119.03529	1.8
119.05025	1.2
121.02937	1.2
123.04515	10.5
125.02434	11.7
127.00399	1.1
131.03508	2.0
133.06602	3.6
136.01631	3.0
143.03506	44.3
143.04906	4.6
144.03824	1.2
149.04510	2.2
151.03990	5.0
155.03497	4.2
161.06078	83.3
162.06425	3.6
163.04037	8.0
165.05502	1.0
178.06355	2.8
185.04515	3.2
187.04004	100.0
188.04356	5.6
193.08653	3.0
195.06630	1.2
203.05605	8.0
205.05148	8.2
223.06104	1.5
255.02969	2.7
273.95975	1.1
283.02460	3.7
284.03052	1.3
285.04034	3.3
285.09851	2.8
323.11353	17.0
328.90607	0.9
345.11777	5.7
355.26404	1.0
357.13336	5.0
381.13239	1.1
423.12811	1.0
469.13449	8.0
473.14536	23.5
474.14819	3.2
489.10748	2.0
489.17603	2.7
515.15784	1.4
693.16858	2.6
737.23016	31.6
738.23389	4.9
763.46631	1.5
776.63055	1.0
780.46100	1.8
781.46411	2.4
782.48370	1.2
940.73187	1.3
943.52448	10.0
944.52106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03479	3.2
71.01384	80.9
71.55406	2.5
71.56086	1.9
72.01685	2.4
72.99302	5.9
73.02951	25.9
75.00893	2.6
81.03452	1.6
83.01402	14.1
85.02956	49.2
86.00092	3.5
87.00882	10.3
87.04501	2.8
88.98792	1.6
89.02446	16.9
90.24307	1.6
91.05514	5.1
95.01392	9.5
96.96025	2.0
97.02936	6.9
99.00898	6.7
101.02446	45.0
103.04076	1.6
111.00868	5.6
113.02453	47.0
115.03963	2.3
115.05536	39.5
117.03448	2.6
117.07092	20.1
119.03489	6.4
121.02902	1.8
122.84209	1.5
123.04520	10.1
125.02438	9.6
129.01927	2.2
131.03484	6.5
133.06621	3.3
139.09811	1.5
141.01891	2.7
143.03500	22.8
143.04715	2.4
143.05037	2.4
145.05092	1.9
149.04480	1.8
151.03944	2.7
159.03003	3.5
161.04591	7.5
161.06065	63.2
161.07437	3.7
162.06400	1.5
163.04004	6.8
163.06158	2.9
167.03484	3.9
175.02470	1.7
187.03998	66.4
188.04355	3.7
205.05028	15.9
205.07057	4.4
252.15997	1.5
285.09747	2.2
306.67203	1.8
323.11273	7.7
327.29074	3.4
345.11749	3.7
355.95554	1.4
364.63733	1.6
404.49792	1.7
414.78238	1.6
444.73502	1.4
445.76285	2.0
469.13507	3.5
473.14658	11.6
476.51239	1.9
489.34238	7.4
491.15189	2.1
515.16010	2.2
635.40417	4.5
651.39270	3.4
655.38947	1.6
690.13806	1.7
737.22998	16.1
738.22949	3.9
763.47314	1.9
779.44623	3.3
781.47205	5.3
797.45233	31.3
798.45667	6.6
943.51373	100.0
944.51331	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	945.319
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99536	0.5
71.01373	2.9
73.02928	0.5
78.73263	0.4
83.01363	0.4
85.02910	1.1
89.02412	0.7
95.01363	0.5
99.00826	0.4
99.04902	0.3
101.02448	2.1
113.02397	0.9
116.92765	0.3
121.02306	0.3
121.02965	3.6
123.04517	0.5
124.01643	0.6
125.02439	2.5
131.98790	0.4
135.04474	0.4
143.03459	0.6
145.02913	1.5
146.03709	0.4
147.04477	1.0
149.99524	1.1
150.03230	0.4
161.04494	0.5
161.06010	0.7
163.03999	1.9
164.04611	0.4
168.00655	2.1
175.02571	0.6
175.04016	5.8
179.07108	0.5
187.03966	0.8
190.06403	2.1
190.18611	0.4
191.70465	0.3
195.06546	0.4
203.05501	0.5
203.07118	0.6
207.08101	0.7
213.05382	0.4
219.08115	0.7
221.05986	0.6
222.05261	3.7
223.07622	1.1
225.05618	0.4
225.09016	0.5
233.06134	0.7
234.06989	0.4
235.07582	2.1
239.07108	1.5
241.05043	0.5
245.06082	0.5
247.07658	0.7
249.05524	0.7
250.06326	0.6
251.07112	1.7
252.07809	0.4
253.04921	0.4
253.08720	1.7
255.06419	0.5
256.07312	0.4
261.05469	1.4
262.06488	0.6
263.07138	5.0
264.07751	0.9
265.08527	0.5
266.05481	0.5
267.06519	2.4
268.07455	0.7
268.10864	0.9
269.08185	5.4
270.08719	0.5
278.09418	0.7
279.06641	3.7
280.07584	0.8
281.08170	9.9
282.08798	1.2
283.09570	1.4
291.06696	2.7
292.07257	1.2
293.08267	3.5
294.08997	5.5
295.09613	1.4
296.07224	0.5
296.10449	3.0
297.07715	23.4
297.11136	1.8
298.07990	1.1
306.08783	0.5
307.09863	1.6
308.07156	0.5
308.10526	3.4
309.07660	38.7
309.11264	10.5
310.07956	3.0
310.11667	1.0
311.09305	0.8
312.10040	25.5
313.10367	1.3
323.09259	7.6
324.10025	26.1
325.10211	1.6
327.12363	100.0
328.12704	7.6
331.06757	4.7
339.12357	86.7
340.12683	7.1
357.13556	0.6
399.05734	0.8
944.53345	0.9
945.37091	0.6
945.53735	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	945.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	0.5
71.01377	3.3
71.10769	0.4
73.02948	1.0
83.01402	0.7
84.02224	0.2
85.02952	1.6
87.00880	0.5
89.02441	1.2
93.03455	0.5
95.01373	0.7
96.95994	0.3
99.00889	0.3
101.02435	2.0
108.02193	1.2
109.02965	0.6
111.00916	0.3
113.02442	1.4
115.05540	1.1
116.92876	0.7
117.03485	0.2
117.07095	0.4
119.03503	0.4
121.02959	4.3
121.03749	0.2
122.03766	1.6
123.00911	0.4
123.04582	0.4
124.01669	0.6
125.02447	0.3
134.03755	0.7
136.01663	73.7
137.02501	2.1
143.03571	0.3
145.02950	0.2
145.06566	0.3
147.04457	0.3
149.02469	0.3
149.06076	0.4
151.04010	89.8
152.04353	3.1
159.04503	0.8
160.05324	1.3
161.02370	0.4
161.04686	0.3
161.06064	0.9
162.03238	1.2
162.06342	0.2
163.04054	1.1
165.05603	0.3
173.06042	0.2
175.04039	0.7
175.07626	1.2
176.04771	0.4
177.02019	0.3
177.05571	1.1
179.03487	0.8
187.04016	2.4
188.04585	0.4
189.05540	0.3
193.05031	0.2
203.07144	0.4
205.05054	0.5
256.07373	0.2
263.07266	0.3
281.08163	0.6
294.08783	0.3
297.07840	0.3
309.07742	2.0
309.10919	0.4
311.12903	0.4
323.09238	0.4
324.09967	1.1
327.12497	0.3
339.12436	1.4
342.11075	4.8
343.11380	0.6
357.13428	100.0
358.09326	0.5
358.13785	8.4
399.14963	0.3
501.17435	0.4
549.64545	0.2
628.94983	0.3
799.47778	0.4
945.53442	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	945.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.8
69.03459	1.8
69.88844	0.6
70.25040	0.7
71.01385	50.3
71.55526	0.8
72.01736	1.0
72.99306	4.0
73.02948	14.9
75.00889	1.2
81.03436	1.4
83.01389	8.2
85.02955	26.5
86.00094	1.4
86.03282	0.8
87.00882	8.2
87.04496	1.9
89.02448	12.2
95.01389	4.7
97.02970	2.3
99.00885	5.0
99.04524	0.7
101.02446	30.9
102.02763	0.8
103.04010	1.7
111.00889	5.0
113.01704	1.3
113.02457	21.4
113.03247	1.4
113.57369	0.7
114.02809	1.0
115.04066	0.7
115.05540	6.4
116.92871	1.0
117.03416	0.8
117.07095	2.2
119.03504	4.7
123.04502	1.9
124.01671	0.9
125.02448	5.0
129.01933	1.2
131.03522	4.0
136.01688	5.1
137.02444	1.3
141.01945	1.0
143.03510	5.6
143.05022	0.6
145.02928	1.1
150.03230	1.6
151.04013	7.0
159.02953	2.6
161.04555	4.4
161.06079	5.1
162.06432	0.7
163.03951	1.3
163.06149	1.1
165.05556	1.4
187.03972	8.4
188.04341	2.0
195.06628	1.0
205.05083	1.0
205.07037	1.3
222.00392	0.7
227.09622	0.7
259.00958	0.6
259.73065	0.8
260.43478	0.7
283.26389	1.2
329.30594	2.9
357.13373	12.1
358.13803	1.5
399.65027	0.7
473.14572	1.6
491.36011	5.5
635.40186	0.9
637.41852	2.3
653.41223	5.3
753.66901	0.8
765.43768	1.0
781.46106	2.7
783.49139	1.2
798.46155	0.7
799.46899	27.3
800.47638	4.0
800.60577	0.8
835.58618	0.9
945.52765	100.0
946.53088	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	945.5419
Annotation	11-Dehydroxymogroside III
Peak:m/z	Relative Intensity
69.03443	0.9
71.01382	78.4
72.01728	1.5
72.99308	6.7
73.02943	8.9
73.96601	0.6
75.00871	0.6
83.01386	10.7
85.02950	26.7
86.03268	0.7
87.00887	4.6
89.02444	50.4
95.01385	7.8
97.02955	2.6
98.20650	1.6
99.00877	4.6
101.02444	44.5
102.02776	0.8
111.00905	0.5
113.02448	27.4
115.05540	2.5
117.07050	0.7
119.03505	18.2
119.04329	1.3
123.04547	0.9
125.02442	4.9
129.02007	0.9
131.03522	3.3
137.64183	0.7
143.03523	3.3
149.04570	1.6
149.99626	0.7
159.02948	1.4
159.23207	0.6
161.04567	6.8
161.05966	1.0
168.00630	1.5
169.01234	0.7
179.05611	7.9
179.07037	1.0
183.16797	0.6
187.03955	3.7
211.96925	0.6
213.20992	0.6
221.06885	0.7
226.14557	0.6
268.28323	0.6
269.08337	0.9
306.40201	0.7
309.07751	2.3
312.10086	1.5
313.05621	0.8
313.57843	0.6
324.10046	1.9
327.12366	6.5
328.12750	0.9
331.06656	2.8
339.12277	5.2
399.05768	1.0
433.27707	0.6
455.04193	0.6
473.14410	0.9
596.34351	0.7
603.42645	1.4
629.88989	0.6
659.67560	0.6
689.86591	0.7
757.10083	0.7
765.48151	14.8
766.48462	2.2
783.49048	7.5
784.48834	1.3
945.54224	100.0
946.54492	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44402	7.8
71.01379	59.2
72.99306	5.8
73.02940	10.8
83.01378	9.6
85.02953	29.2
87.00861	4.8
89.02441	27.8
91.09213	0.9
91.48389	0.9
95.01385	5.8
96.95979	2.2
97.02940	2.2
98.19914	2.2
99.00896	6.1
101.02444	35.6
110.02731	0.9
111.00889	1.3
113.02447	23.3
115.05537	2.0
116.92840	2.7
119.03513	7.8
123.04526	2.5
125.02442	3.4
131.03470	2.3
134.03735	1.2
143.03477	1.5
146.03735	1.4
149.02469	1.1
150.03227	2.3
151.03929	1.4
152.01198	1.3
159.03015	1.9
161.02368	1.3
161.04552	4.5
161.06062	2.5
163.06102	1.0
164.04749	1.4
165.05554	3.4
179.05647	1.3
180.04344	2.1
186.37234	1.0
187.04002	3.4
191.03513	1.3
195.06636	3.4
199.06630	1.0
221.06720	1.0
280.32468	1.1
285.04199	1.4
309.07291	0.9
315.07224	1.8
327.12418	1.7
331.06699	1.6
339.12473	1.9
775.74097	1.1
783.49005	14.0
784.49298	3.6
945.54181	100.0
946.54541	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	946.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
68.39410	0.6
71.01391	8.2
72.99322	0.9
73.02952	0.9
75.00871	0.9
83.01389	1.7
85.02946	1.4
87.00881	14.3
98.19859	1.5
99.00854	1.1
101.02497	0.7
111.00893	1.3
113.02396	0.8
115.00378	41.7
116.00691	0.7
120.87909	0.6
139.00352	2.7
139.58005	0.7
157.01431	5.1
175.02478	100.0
176.02856	2.6
225.15125	1.0
241.14485	2.9
277.21664	4.1
310.98306	0.7
415.78766	0.7
478.29202	0.6
505.22980	0.7
737.45380	0.7
765.44519	8.0
766.45038	1.4
779.45953	2.0
783.45715	3.3
803.45532	0.9
821.47662	0.9
823.45172	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
70.84275	0.7
71.56720	1.2
83.01394	2.5
95.01371	0.9
101.02421	1.0
107.01389	9.6
109.02943	2.4
110.75569	0.8
121.02957	3.7
125.02435	1.4
131.01411	1.2
133.02943	2.4
134.03694	0.8
135.00897	1.0
135.04547	1.6
137.10609	0.9
139.03983	0.8
145.02966	0.9
148.01634	1.1
151.00378	30.1
160.01625	3.6
161.02411	3.3
163.00345	2.3
163.04089	0.8
164.01111	1.6
169.01462	1.0
171.04483	1.5
175.00340	3.9
175.04076	4.0
177.01828	0.8
178.99855	6.4
187.04008	1.6
193.01434	1.4
199.03952	5.8
201.02019	1.0
203.03441	1.6
205.05064	1.0
211.04184	1.0
213.01935	0.9
215.03523	3.8
216.04312	1.0
223.08073	0.9
226.02710	1.3
227.03516	6.9
243.02965	8.7
255.02975	9.4
257.04419	1.2
271.02460	89.8
272.02948	6.3
273.04010	1.5
283.02414	1.4
284.02921	1.2
285.04071	1.1
299.01965	100.0
300.02719	55.6
300.05615	0.6
301.03510	63.9
302.03821	4.0
313.03568	1.1
315.04929	7.5
323.07596	1.6
609.14563	26.4
610.14569	1.8
621.12640	1.0
638.12836	3.6
639.13446	41.6
640.13757	2.9
947.24609	55.9
948.24664	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	947.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
70.11028	1.2
71.01382	0.9
78.95906	20.1
87.00881	1.7
111.00865	0.3
113.39740	0.3
115.00388	3.3
122.00111	0.5
140.00113	0.3
140.01189	5.0
152.99590	2.0
157.01459	0.4
166.02798	0.3
175.02490	6.1
185.11804	0.3
196.03793	9.2
209.11818	0.2
211.13313	0.4
214.04900	1.8
237.07172	0.3
255.23296	100.0
256.23639	7.3
277.21796	0.8
289.18362	0.3
452.27823	84.5
453.28146	7.0
572.35913	0.3
614.34851	0.3
709.27307	0.3
827.92242	0.3
915.47955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33764	0.9
67.01929	1.0
69.38326	2.6
69.38741	6.3
71.01384	9.7
72.99306	2.1
73.01650	1.0
73.02953	3.0
83.01416	1.3
85.02967	5.1
87.00891	2.2
88.98810	2.3
89.02451	5.5
96.96024	1.6
98.19859	2.4
99.04527	2.0
101.02468	7.5
103.04007	1.7
113.02419	2.8
115.05524	2.9
116.92869	4.2
117.92931	1.1
119.03494	1.8
125.02441	3.2
135.00864	1.7
135.04547	1.4
136.01649	1.2
150.03242	1.4
151.03923	1.1
161.06044	1.5
162.03262	1.5
165.05531	1.8
180.04260	4.3
181.04837	1.6
187.04050	3.1
195.06581	5.4
196.06886	1.7
213.05434	5.4
241.05049	24.6
242.05571	2.6
255.06645	6.3
256.07401	64.8
257.07834	3.5
270.09003	2.1
271.09756	72.4
272.10190	5.5
285.03854	1.5
313.10870	1.6
433.14975	3.1
475.16101	1.4
483.53989	1.2
515.18762	1.2
579.20801	89.5
580.21082	12.4
621.21887	36.5
622.22339	3.9
661.25061	9.0
663.23438	2.1
705.24207	3.5
723.25061	100.0
724.25421	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	948.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
66.03476	1.7
66.36525	0.9
71.01375	3.0
72.00912	1.9
74.02488	1.6
78.84312	1.1
81.99900	1.0
82.02991	5.3
83.01382	3.4
84.04546	3.9
85.02951	1.7
86.02474	2.2
87.05630	1.8
88.04043	22.7
89.02443	3.2
91.17278	1.0
93.03445	1.4
94.02962	2.1
96.04530	1.3
97.02956	1.8
98.02498	1.8
98.06100	1.9
99.00889	1.9
100.04036	19.1
101.02440	4.4
101.07202	1.7
102.05618	1.8
102.17543	1.1
109.04058	2.5
110.06104	3.0
112.04031	8.4
114.01945	1.4
115.08775	7.9
116.07167	2.2
119.03547	1.6
124.04066	2.1
125.02447	12.4
125.07219	4.1
126.05606	6.9
126.09249	4.0
127.05119	6.0
127.08765	5.9
128.03537	25.6
128.07126	2.3
128.52420	1.1
129.06671	5.7
129.10327	1.6
135.04515	1.2
136.04008	3.8
137.02431	1.7
138.09300	1.1
139.57404	1.1
140.03539	1.3
141.06738	1.9
141.10367	2.9
142.05113	2.4
143.08238	8.3
145.09821	1.4
146.04620	1.2
151.08728	1.4
152.07166	4.9
153.06662	3.2
153.10381	1.6
154.05058	2.2
155.08215	2.1
163.08783	1.1
164.01160	3.6
165.01646	1.0
166.05031	3.4
166.08691	1.1
169.09804	3.4
170.08264	2.4
171.07680	7.0
172.14560	1.9
174.54477	1.1
181.09779	1.8
182.13002	7.2
183.11351	1.2
184.06197	2.2
184.14520	5.4
187.10930	1.3
189.08765	4.5
193.09854	1.1
195.11400	2.1
198.12450	1.4
199.10907	3.5
200.13980	2.0
202.07198	7.7
210.12375	1.7
212.14034	2.6
213.12402	2.0
216.13487	9.1
220.10927	1.8
221.09311	1.4
225.08853	1.6
229.04976	1.2
229.32521	1.5
238.11990	8.5
242.11443	1.6
253.05057	10.4
254.05371	2.1
256.12949	2.0
256.16641	2.2
260.12558	5.9
271.06058	2.5
282.10956	6.2
283.11243	1.4
284.03235	1.6
285.03870	1.8
301.18481	1.5
371.15652	6.3
433.11157	1.4
576.23999	1.2
688.30200	3.2
859.36450	2.4
930.39166	4.7
931.38715	1.4
940.05798	1.3
948.40479	100.0
949.40656	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	948.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73203	3.0
71.01382	2.9
72.04578	1.5
74.02489	3.0
82.02975	5.1
83.01390	2.5
84.04543	3.5
87.05673	2.1
88.04034	24.7
89.02440	2.5
94.02981	4.2
96.04550	3.3
97.02969	2.2
98.06108	2.9
100.04041	25.2
101.02477	2.4
109.07712	1.4
110.06094	3.4
111.05679	2.1
112.04040	8.0
115.08775	8.1
116.07166	2.3
124.04020	2.7
125.02462	3.0
125.07212	5.0
126.05593	8.2
126.09250	2.8
127.05120	9.5
127.08785	7.9
128.03546	31.4
128.07150	2.9
129.06703	9.5
136.04012	4.2
138.05655	1.9
138.09258	1.4
140.03500	1.7
141.06723	2.3
141.10295	1.7
142.05113	2.3
143.08311	7.2
145.09854	2.8
151.08739	2.5
152.07149	4.7
153.06729	2.9
153.10321	2.6
154.05173	2.6
155.08221	2.7
155.11887	1.9
166.05058	2.3
166.08626	1.5
169.09837	4.1
171.07791	6.6
181.09764	2.0
182.12987	8.4
184.06128	3.3
184.14528	6.8
187.10860	1.9
189.08826	4.2
193.09798	1.9
194.12968	2.6
195.11443	1.7
198.12552	1.9
199.10878	4.1
200.14095	2.0
202.07182	8.8
210.12578	1.7
212.14066	3.5
216.13530	10.5
221.75374	1.4
225.08900	2.1
233.27861	1.4
238.12003	8.8
254.15021	1.8
256.13101	2.1
256.16776	3.4
260.12479	8.0
266.15048	1.4
272.16135	2.8
282.10956	5.3
295.29614	1.7
371.15689	5.8
372.16223	1.8
389.16852	3.1
418.69455	1.7
473.38843	1.8
542.43134	1.6
576.23749	1.5
592.21991	1.7
688.29626	2.2
758.91626	1.8
930.39496	6.8
931.39368	2.1
948.40546	100.0
949.40784	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	949.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77352	0.6
67.01958	0.6
68.99820	0.7
69.42680	2.4
69.43105	2.5
71.01388	10.5
72.99316	2.3
73.02956	3.1
83.01410	1.1
85.02958	7.2
87.00851	1.5
88.98816	1.4
89.02448	4.7
95.01393	1.1
97.02961	1.0
99.00876	1.1
101.02448	6.0
103.04004	2.2
108.02174	1.3
109.02969	0.7
111.00904	0.7
111.17777	0.7
113.02451	2.5
115.00396	0.9
115.05605	0.8
116.92839	2.1
119.03492	1.5
119.05077	0.6
121.02928	1.1
123.00847	3.2
123.04527	2.4
124.01655	8.0
125.02460	1.8
132.55313	0.7
134.03760	0.7
137.02484	0.6
139.00392	0.8
139.04027	4.5
143.03473	1.0
150.03241	0.8
151.03961	0.7
154.81711	0.6
161.04561	2.0
162.72171	0.6
163.04001	1.2
163.06168	1.1
165.05563	1.0
175.02435	1.1
177.05542	1.7
187.04066	0.9
193.04999	2.2
195.06706	1.0
205.05084	0.9
213.05545	11.7
227.07178	0.7
240.04144	0.8
241.05067	34.9
242.05414	1.7
255.06570	8.5
256.07413	70.5
257.07861	4.9
270.09058	3.2
271.09769	59.8
272.10056	4.3
313.10730	0.9
342.98376	0.7
357.12921	0.8
367.10574	1.1
369.08160	1.9
415.13864	1.1
433.15063	7.7
471.84003	0.8
533.17230	0.7
579.20813	100.0
580.21033	11.7
581.20636	4.1
647.19775	2.5
948.53473	1.5
949.32385	1.3
949.51758	0.8
978.05322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	2.7
71.01388	30.5
71.05011	1.0
72.99284	2.3
73.02945	4.5
81.03466	1.5
82.52048	0.9
83.01377	3.4
84.14142	0.9
85.02933	6.1
87.00875	7.6
89.02445	21.5
91.44655	0.9
95.01382	2.3
97.02966	4.9
99.00916	1.5
101.02448	19.5
109.02952	1.2
111.00805	1.1
113.02445	10.7
119.03513	6.7
121.10217	5.3
123.62924	0.9
125.02441	10.3
141.01918	0.8
143.03493	5.2
149.04494	1.0
161.04546	3.8
171.10260	17.7
173.48750	1.1
179.05655	7.1
183.13892	4.4
185.04395	1.0
209.04683	1.1
211.13351	1.6
221.06604	3.0
223.17023	3.8
231.21074	2.5
235.08258	11.3
235.17027	15.3
253.09267	1.5
275.20154	34.3
276.20416	2.2
277.21713	83.5
278.22125	5.5
287.07663	3.6
291.19815	1.7
292.19800	1.1
293.21225	100.0
294.21524	8.3
305.08636	3.0
323.09488	2.2
379.12390	11.4
397.13510	57.9
398.13766	3.4
415.14505	15.7
675.35748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40500	0.5
69.40906	3.0
71.01373	0.7
85.02964	0.4
91.05560	1.0
93.03458	0.9
101.02435	0.7
104.05885	0.4
113.02445	0.7
115.05539	82.8
116.05886	2.0
117.03479	2.7
117.07113	6.5
118.07392	0.4
119.04998	0.4
121.02925	0.7
123.04539	3.7
133.06581	1.6
135.04457	0.4
136.01637	0.8
139.36678	0.4
143.05037	7.4
151.04034	0.7
158.91951	0.4
159.94655	0.4
161.06078	11.4
162.06442	0.6
163.03986	2.0
175.02583	0.5
177.05551	0.4
187.04002	100.0
188.04349	4.2
205.05051	7.0
237.07643	2.2
357.13449	0.6
473.14502	27.6
474.14966	3.2
730.20062	0.4
891.70337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
68.07998	0.7
68.99822	2.3
69.03461	0.8
71.01394	4.9
72.66388	0.8
73.02948	3.0
81.03465	1.1
83.01387	2.4
85.02940	5.9
87.00867	0.8
91.05534	21.1
93.03462	1.2
97.02946	1.6
98.19905	1.4
99.00885	3.2
101.02442	5.6
102.01530	0.8
113.02454	4.2
115.05542	66.8
116.05897	2.1
117.03468	4.1
117.07111	22.1
119.05043	1.2
123.04539	5.2
125.02460	2.1
130.08766	1.5
131.04965	0.8
133.06601	51.2
134.06921	1.6
135.04518	4.8
143.03500	5.6
143.05028	10.3
159.04446	1.0
161.06079	75.5
162.06435	2.7
163.04012	63.8
164.04344	2.1
165.05565	2.0
175.07655	0.9
177.05557	8.4
179.05492	0.7
187.04008	100.0
188.04352	4.0
205.05089	6.0
219.06604	19.0
220.06975	0.8
227.10757	1.7
237.07683	76.6
238.08104	3.9
274.85739	0.7
285.09891	1.6
307.06448	1.7
323.11325	12.9
324.11670	1.0
345.11850	0.9
363.10803	1.7
473.14539	10.9
474.14807	1.0
489.17410	0.9
689.20990	3.0
737.22345	0.9
957.30585	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	959.5074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03463	2.4
71.01386	58.7
72.01726	1.1
72.99318	7.4
73.02950	15.5
75.00871	1.7
75.78427	0.7
81.03506	1.2
83.01389	10.2
83.99575	0.8
84.59116	0.8
85.02443	1.6
85.02956	30.2
86.00075	1.5
87.00880	10.5
87.04497	2.3
89.02444	25.0
92.55375	0.8
95.01396	5.0
97.02947	2.5
99.00874	6.6
101.02451	39.6
103.04021	2.3
109.02831	0.8
111.00874	2.7
113.02454	27.4
115.04007	2.7
115.05563	5.8
117.07094	2.0
119.03523	8.1
123.04536	1.0
125.02451	3.3
129.01932	1.9
131.03520	5.4
133.06546	0.8
136.01698	1.0
136.66443	0.9
141.01961	1.1
143.03490	6.4
150.03235	1.9
159.02966	2.4
161.04541	5.2
161.06068	3.3
163.03966	2.0
163.06129	1.2
165.05554	2.5
174.01761	0.9
175.02504	0.9
175.03918	1.6
179.05644	0.8
180.04274	0.9
187.04033	8.4
195.06586	1.8
203.03488	1.6
205.05275	1.0
205.07181	2.5
221.06664	1.3
241.04802	1.0
256.07361	1.1
327.29092	1.0
380.58078	1.0
471.33243	1.0
473.14343	1.2
489.34341	5.6
537.20898	1.1
633.39014	1.5
651.40125	5.2
779.44995	1.1
797.45386	17.1
798.46002	3.4
813.45013	10.1
814.45587	1.6
871.01172	0.9
924.66217	0.9
959.50739	100.0
960.50769	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	959.5223
Annotation	11-Oxomogroside III
Peak:m/z	Relative Intensity
69.03442	0.6
71.01382	18.7
72.99296	1.1
73.02949	5.4
75.00870	0.5
83.01396	3.9
85.02953	11.1
86.00114	0.4
87.00882	2.0
88.17848	0.3
89.02444	5.7
95.01421	2.6
96.73035	0.3
96.96004	0.4
97.02928	1.1
99.00897	2.5
101.02444	14.2
102.02789	0.6
109.02955	0.4
109.60413	0.3
111.00862	0.6
111.08083	0.6
113.02453	9.9
113.06080	1.1
115.05503	0.9
119.03507	2.0
123.04530	0.8
125.02409	1.4
131.03526	0.9
135.36957	0.3
136.01653	0.5
141.79427	0.3
143.03520	0.7
149.04579	0.4
150.03197	0.6
159.02988	1.1
161.04578	3.2
161.05882	0.7
165.05524	0.9
175.03984	0.7
179.03610	0.4
179.05617	0.5
187.03954	1.5
221.06493	0.6
229.08286	0.4
241.08702	0.5
256.07303	0.5
271.09573	0.4
337.09390	0.5
357.27841	1.9
433.14331	0.4
449.06403	0.4
473.36029	0.7
521.34918	0.7
549.50012	0.4
617.39050	0.7
635.41724	2.1
779.45544	0.5
793.90210	0.5
797.46918	100.0
798.47327	18.6
897.34424	0.5
959.51508	4.3
960.51178	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57308	2.0
83.01377	1.0
91.01880	0.3
93.03465	1.5
107.01379	1.9
109.02955	0.5
117.03461	1.1
119.01385	0.3
121.03001	0.3
125.02449	0.5
128.96437	0.3
132.02161	0.3
135.00877	0.7
137.02422	0.4
143.05038	0.5
149.02414	0.5
151.00378	3.9
154.04218	0.3
155.05038	0.5
157.06604	0.3
159.04510	1.0
163.00383	1.2
163.03969	0.3
164.01134	0.5
164.04803	0.4
165.01955	0.5
165.05537	0.4
167.04951	0.3
169.06569	0.4
171.04427	0.5
175.00327	1.9
176.01132	0.6
182.03700	0.4
183.04515	1.8
185.02507	0.4
185.06064	1.5
187.04070	1.4
189.05516	0.4
190.02713	3.8
191.03511	1.0
199.03963	0.7
201.05550	0.4
205.05025	1.9
211.03954	1.7
213.05553	0.7
227.03473	14.7
228.03857	0.6
229.05035	3.9
239.03485	1.2
240.04199	0.5
241.05037	1.0
255.02975	35.6
256.03558	3.7
257.04578	3.3
267.02875	0.5
283.02478	21.7
283.99960	0.5
284.03241	33.4
285.04025	100.0
286.04352	5.0
296.85818	0.3
298.04788	0.5
299.05545	4.9
327.05051	1.7
353.08691	1.7
367.10339	0.5
424.45926	0.4
593.15076	53.4
594.15466	6.4
635.16888	0.3
649.30255	0.3
653.15057	25.9
654.15411	3.7
695.97864	0.4
780.68048	0.4
880.28741	0.4
961.26337	5.9
962.26367	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
69.93075	0.5
69.93394	2.6
71.01379	29.8
72.01698	0.4
72.99318	2.4
73.02942	4.4
75.00873	1.2
80.05047	0.5
83.01385	5.1
85.02951	8.1
87.00877	54.3
88.01234	0.6
88.98803	1.2
89.02439	5.3
95.01408	1.3
97.02956	0.8
99.00889	1.5
101.02446	9.1
106.06636	1.6
111.00887	5.3
112.98818	0.9
113.02450	5.4
115.00373	60.7
116.00729	1.0
119.03507	1.8
122.06126	2.0
123.04556	0.8
125.02466	0.8
127.00374	1.0
129.01962	0.5
131.03473	0.5
132.04572	0.7
134.03824	0.5
134.06117	9.0
135.03008	0.8
136.01643	0.5
139.00386	6.5
145.02960	0.5
146.06084	0.5
150.03160	0.8
151.03998	0.7
152.07176	1.3
157.01433	6.3
158.02486	0.5
160.04103	0.9
161.04552	1.2
165.05569	0.6
174.01701	1.1
174.05609	1.1
175.02473	100.0
176.02840	1.9
181.21370	0.4
188.07193	0.5
189.82304	0.5
190.05064	2.0
213.10353	1.0
216.06696	0.5
237.10234	0.5
239.11859	1.0
247.08817	0.4
265.09860	0.7
267.11392	1.0
277.09894	1.1
279.11395	0.9
281.13220	0.5
285.12466	0.9
291.11240	0.5
293.09122	0.5
305.09381	0.6
307.10895	0.7
316.14758	0.6
319.10828	0.6
323.09991	0.4
327.13443	1.2
337.12082	0.9
340.14563	1.8
356.14072	0.6
358.15604	0.9
383.12323	0.5
384.13538	1.3
396.13507	0.6
398.14990	1.1
412.16821	0.9
438.14294	0.8
591.22339	1.0
692.24390	1.9
702.23242	0.5
706.25446	0.7
720.24200	10.0
721.24725	1.7
722.25360	1.2
753.27808	8.4
754.27704	1.6
778.24957	2.5
781.47522	0.9
785.30341	31.5
786.30719	6.7
793.27039	1.7
799.48279	1.2
811.28302	0.7
825.29755	6.9
826.30206	1.1
843.31079	2.0
844.30872	1.1
901.31079	2.7
960.52631	0.7
961.53589	16.8
962.54401	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22467	1.3
69.22881	3.5
71.01380	36.1
72.01723	1.5
72.99306	3.5
73.02950	5.7
75.00859	1.2
83.01382	6.1
85.02954	9.9
86.00085	0.5
86.03295	0.8
87.00875	43.7
88.01193	0.8
88.98777	0.7
89.02437	8.4
95.01394	2.2
97.02931	0.6
99.00892	2.4
101.02447	13.3
102.02793	0.8
106.06599	0.9
107.03745	0.6
111.00899	2.9
112.98808	0.7
113.02452	8.0
115.00369	52.8
116.00705	1.2
116.92863	1.5
119.03503	2.7
120.03789	0.5
122.06111	2.0
123.04497	0.6
125.02412	1.5
127.00356	0.9
129.01848	0.6
131.03506	0.8
134.06117	5.8
139.00357	2.9
143.03519	1.0
145.02979	0.8
146.03745	0.8
150.03271	0.7
152.07143	0.8
156.00546	0.5
157.01421	3.6
159.03009	1.0
161.04594	2.8
161.05803	0.7
163.04001	0.6
165.05487	0.8
174.01660	1.2
174.05585	1.0
175.02470	100.0
176.02858	2.4
179.05629	1.0
179.07147	1.2
188.07217	0.5
190.05083	0.9
192.06723	0.5
195.06535	0.8
213.10298	0.6
221.06735	0.8
239.46436	0.5
249.10248	0.6
251.11957	0.8
263.11987	0.6
265.09753	0.7
277.09885	0.6
281.12903	0.5
291.07672	0.6
305.09470	1.1
330.43295	0.5
337.12018	0.5
340.14456	1.2
354.12659	0.5
384.13235	0.5
398.14886	0.6
635.40967	0.8
636.41724	1.4
692.24451	0.9
720.24213	6.3
721.24786	1.3
753.28479	3.6
754.28149	0.8
778.24567	0.9
785.30353	20.2
786.30731	3.7
797.46411	0.7
798.47253	3.5
799.47906	3.0
811.28827	1.0
825.29352	1.9
826.30707	0.6
843.31104	1.4
861.32056	0.8
901.31458	1.3
960.52502	11.7
961.53168	21.4
962.53687	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	961.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01888	0.5
70.01711	0.4
71.01383	21.7
71.56711	0.4
71.57125	0.5
72.99308	2.3
73.02946	2.2
75.00883	0.8
83.01383	2.8
85.02964	3.0
87.00878	50.0
88.01192	0.6
88.98804	0.5
89.02451	1.5
94.26932	0.3
95.01391	0.5
99.00916	0.8
99.58683	0.4
101.02460	2.3
106.06636	1.0
111.00867	3.7
112.98801	1.3
113.02467	2.5
115.00375	61.5
116.00702	0.8
116.92838	0.5
119.03461	0.4
119.05009	1.0
122.06122	1.2
123.00875	0.5
127.00346	1.1
131.03572	0.5
134.06128	7.3
135.02945	0.5
139.00372	4.4
145.02911	0.8
149.02455	0.4
150.03223	0.5
151.04056	0.5
152.07166	1.2
157.01414	4.6
160.04007	0.7
161.02472	0.6
161.04573	0.4
161.05954	0.5
163.04056	0.5
165.05560	1.0
168.00597	0.8
168.46442	0.5
174.01604	0.5
174.05634	1.2
175.02475	100.0
176.01396	0.5
176.02847	1.7
187.61255	0.4
190.05103	0.8
192.06757	0.5
195.06601	0.5
213.10435	0.8
225.10406	0.4
239.11906	0.6
263.08237	0.7
265.09723	0.7
267.11365	0.5
277.09521	0.4
279.11447	1.0
284.03073	0.6
305.09332	0.8
307.10791	0.5
331.06805	0.7
337.11975	0.5
340.14664	0.9
368.10080	0.5
372.17456	0.5
384.13364	0.6
396.13452	0.5
398.14667	0.6
400.16861	0.4
412.16321	0.5
419.67081	0.4
444.15646	0.5
501.77075	0.4
573.21252	0.5
591.22961	0.4
660.23193	0.4
692.24365	1.4
693.25232	0.7
720.24158	6.6
721.24414	0.8
722.25012	0.5
725.28009	0.4
753.27844	4.9
754.28418	0.8
778.24146	0.6
785.15863	0.7
785.30389	15.2
786.30743	2.6
790.24133	0.5
793.27948	0.9
811.28351	1.5
825.29926	9.8
826.30389	2.0
843.31262	2.0
844.31256	0.6
929.31091	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.5
67.49773	0.2
69.50375	1.9
70.17640	0.2
71.01381	24.1
72.01709	0.4
72.99306	2.6
73.02946	3.1
75.00870	0.8
83.01385	3.7
85.02957	5.6
85.97159	0.3
87.00875	43.3
88.01211	0.5
89.02448	2.8
95.01360	0.9
97.02935	0.3
98.20663	0.5
99.00882	1.7
101.02444	5.3
106.06637	1.2
111.00881	2.8
112.98782	0.7
113.02449	4.2
115.00372	52.6
116.00688	0.7
116.92852	0.4
119.03485	0.9
120.04532	0.3
121.02958	0.4
122.06087	2.1
125.02451	0.6
127.00339	0.7
129.01910	0.3
131.03551	0.3
134.06113	6.1
135.02995	0.5
139.00380	3.7
143.03479	0.6
145.01402	0.3
145.02989	0.3
148.07607	0.3
150.03238	0.4
152.07175	1.0
153.05629	0.3
156.00716	0.3
157.01419	3.8
159.02983	0.3
160.03961	0.3
161.04521	1.3
165.05487	0.4
174.01746	1.6
174.05614	1.1
175.02469	100.0
176.02805	2.0
179.07040	0.3
188.07146	0.3
190.05061	1.1
192.06554	0.3
195.06699	0.3
213.10249	0.6
216.06529	0.3
237.10231	0.3
239.11833	0.5
247.08768	0.3
249.10326	0.4
251.11916	0.4
256.95508	0.3
261.10403	0.3
262.07196	0.3
265.09842	0.6
267.11264	0.6
277.09781	0.9
279.11230	0.8
281.12817	0.3
285.12411	0.4
291.07736	0.3
305.09314	0.7
307.10861	0.6
309.08914	0.3
309.12473	0.3
327.13278	0.4
337.11993	0.3
340.14371	1.1
356.14081	0.3
358.15686	0.5
382.16034	0.4
384.13354	0.8
398.14920	0.8
412.16522	0.5
438.14282	0.4
573.21033	0.5
591.22620	0.3
684.40063	0.3
692.24457	0.7
702.23285	0.3
711.26624	0.3
720.24103	6.6
721.24670	1.0
723.26013	0.3
738.25757	0.4
753.27814	5.4
754.28491	0.9
778.24750	1.5
779.25226	0.6
785.30310	21.1
786.30731	4.2
798.47925	0.5
799.48029	1.2
811.28467	0.6
825.30225	2.7
826.28705	0.4
843.31006	1.1
844.32043	0.4
901.31665	1.5
960.53094	1.3
961.53455	9.1
962.53760	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	38.8
72.99296	4.5
73.02952	16.3
78.89007	2.2
83.01378	5.5
85.02962	21.1
87.00871	5.1
89.02460	12.6
95.01373	3.7
97.02937	4.3
97.76523	2.1
101.02458	24.1
111.00876	5.6
113.02467	17.5
115.00343	4.9
115.05529	5.8
119.03490	3.1
123.04522	2.8
143.03485	3.6
159.02945	2.3
161.04570	5.8
175.02464	3.9
187.03992	5.4
240.07875	3.3
270.42868	2.5
299.59290	2.6
395.30219	2.6
406.03857	2.5
447.33109	6.9
609.38428	3.7
755.43964	13.9
799.47577	3.6
900.15900	2.7
901.33789	5.0
901.50378	100.0
902.50067	17.9
961.52948	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	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26229	0.5
71.01382	59.4
71.56723	0.7
72.99306	6.5
73.02948	7.3
75.00894	1.0
76.53735	0.5
83.01380	7.4
85.02953	22.2
87.00878	8.3
88.98762	1.0
89.02444	35.3
95.01385	4.8
97.02919	1.4
97.06603	1.4
99.00886	4.3
101.02443	35.6
103.96091	0.5
108.02090	0.5
111.00873	0.6
113.02449	21.9
115.00391	5.1
116.92857	1.1
119.03507	10.2
125.02476	1.4
129.01959	0.7
131.03482	1.9
134.06107	1.7
140.69211	0.6
141.82747	0.6
143.03491	2.3
149.02446	0.9
149.04482	0.9
150.03210	0.9
152.07088	0.6
157.01515	0.7
159.02980	1.1
161.02542	0.7
161.04546	5.0
163.04030	3.4
165.05554	0.8
170.15550	0.5
175.02473	7.7
178.06294	1.9
179.05629	3.2
193.08719	3.1
195.06703	1.0
221.06705	0.7
270.08871	0.5
284.03235	0.8
285.03943	1.4
619.41882	0.7
713.41309	1.0
720.24152	1.6
721.24927	0.7
734.38873	0.7
781.47583	4.9
782.47235	1.3
785.30304	4.0
786.30798	0.9
799.48523	5.4
800.49518	1.0
825.28046	0.8
961.53693	100.0
962.53973	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	961.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	58.6
71.56712	1.1
72.99308	3.5
73.02945	11.3
75.00887	2.0
83.01391	9.2
85.02436	2.1
85.02946	23.9
87.00885	5.9
87.68214	0.9
88.98803	19.1
89.02444	23.2
95.01403	4.8
99.00870	4.6
101.02446	33.8
108.02177	1.8
109.02950	1.2
113.02449	19.8
115.00362	1.7
115.05570	1.1
116.92870	1.0
119.03504	7.5
123.04533	1.4
125.02444	2.3
134.06122	1.1
143.03523	2.3
150.03212	1.2
159.03011	2.0
161.04523	5.4
161.05847	1.3
175.02449	2.9
179.07036	1.4
187.04054	1.4
225.60428	1.0
373.12830	1.4
456.95450	1.0
461.23645	1.4
566.56842	1.2
578.19336	1.0
595.94049	1.1
609.73700	1.1
721.91895	1.3
779.84357	1.2
781.46570	2.6
799.48297	11.1
800.48914	2.6
813.92255	1.0
898.36383	1.7
961.53650	100.0
962.53943	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	961.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	0.7
71.01383	63.6
72.01731	1.2
72.99313	5.7
73.02946	9.2
75.00883	0.7
76.26007	0.5
77.37005	0.6
83.01386	8.5
84.02136	1.0
84.91310	0.6
85.02954	22.3
87.00864	7.8
88.98798	0.8
89.02447	37.9
90.02789	0.7
95.01379	5.3
96.96006	1.3
97.02974	2.0
97.06579	0.8
98.20647	1.4
99.00887	4.9
101.02448	32.2
113.02453	24.9
115.00368	4.4
119.03509	11.6
122.06097	0.7
125.02449	1.8
131.03490	2.1
134.06093	1.2
143.03471	2.0
145.02921	0.9
149.04550	0.9
150.03233	0.8
151.04034	0.8
159.02991	1.1
161.04581	5.0
163.04016	2.6
164.04811	0.6
165.05589	1.8
171.46513	0.6
175.02470	7.0
178.06281	1.9
179.03648	0.9
179.05592	3.8
184.10890	0.6
193.08672	2.7
206.48228	0.6
206.78850	0.6
221.06607	0.7
229.06752	0.7
233.54291	0.6
255.02861	1.1
257.81903	0.7
285.04172	0.8
402.21848	0.6
441.17026	0.6
720.24042	1.4
781.47717	5.1
785.30341	2.7
786.28748	0.7
799.48486	6.1
800.48901	1.2
825.30249	0.8
843.29034	0.8
961.53735	100.0
962.54156	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	0.7
71.01383	63.6
72.01731	1.2
72.99313	5.7
73.02946	9.2
75.00883	0.7
76.26007	0.5
77.37005	0.6
83.01386	8.5
84.02136	1.0
84.91310	0.6
85.02954	22.3
87.00864	7.8
88.98798	0.8
89.02447	37.9
90.02789	0.7
95.01379	5.3
96.96006	1.3
97.02974	2.0
97.06579	0.8
98.20647	1.4
99.00887	4.9
101.02448	32.2
113.02453	24.9
115.00368	4.4
119.03509	11.6
122.06097	0.7
125.02449	1.8
131.03490	2.1
134.06093	1.2
143.03471	2.0
145.02921	0.9
149.04550	0.9
150.03233	0.8
151.04034	0.8
159.02991	1.1
161.04581	5.0
163.04016	2.6
164.04811	0.6
165.05589	1.8
171.46513	0.6
175.02470	7.0
178.06281	1.9
179.03648	0.9
179.05592	3.8
184.10890	0.6
193.08672	2.7
206.48228	0.6
206.78850	0.6
221.06607	0.7
229.06752	0.7
233.54291	0.6
255.02861	1.1
257.81903	0.7
285.04172	0.8
402.21848	0.6
441.17026	0.6
720.24042	1.4
781.47717	5.1
785.30341	2.7
786.28748	0.7
799.48486	6.1
800.48901	1.2
825.30249	0.8
843.29034	0.8
961.53735	100.0
962.54156	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.6
71.01382	14.7
72.99302	1.8
73.02941	2.1
78.97327	0.4
81.03447	0.7
83.01387	1.9
83.05027	0.7
85.02946	3.8
87.00873	4.0
89.02448	14.0
95.01371	1.1
97.02966	2.2
99.00865	1.1
101.02444	10.9
108.28832	0.5
111.04589	0.5
112.99511	0.5
113.02450	6.8
116.92855	1.0
119.03518	2.9
125.02434	5.3
127.28387	0.4
131.03531	0.6
137.26274	0.4
139.03989	0.6
143.03493	1.4
149.04517	0.6
161.04575	3.2
167.14430	0.6
179.05600	3.7
183.13887	7.1
183.15358	0.6
193.12350	1.2
211.13391	100.0
212.13736	4.1
217.07115	0.6
221.06664	1.8
229.73499	0.5
235.08255	4.8
253.09239	0.7
259.08191	0.9
277.21716	46.6
278.22058	2.7
287.07739	1.4
305.08722	1.8
323.09882	1.5
379.12448	11.3
397.13495	34.9
398.13699	1.9
415.14566	6.5
483.26349	0.6
565.29559	0.6
591.26538	9.0
592.27039	1.3
609.27637	8.8
610.28284	1.4
657.35187	2.3
675.35779	3.0
676.36401	0.7
686.49561	0.5
869.49084	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.0
69.62859	3.2
71.01379	14.1
72.82691	0.6
72.99280	1.0
73.02944	2.1
83.01387	2.5
85.02956	3.7
87.00879	4.4
89.02444	12.9
95.01348	1.4
97.02948	3.2
99.00898	0.9
101.02445	13.3
113.02446	7.2
114.52081	0.6
119.03522	3.7
125.02444	5.6
131.03525	0.9
133.05080	0.6
134.09721	0.7
143.03482	3.1
161.04524	4.4
179.05644	3.8
183.13899	7.3
193.12299	1.2
211.13387	100.0
212.13710	4.4
221.06642	1.9
235.08284	5.4
253.09251	0.8
277.21710	58.9
278.22015	3.3
287.07803	1.7
301.08954	1.0
305.08783	1.5
323.09656	1.4
379.12421	11.4
397.13498	42.9
398.13638	2.1
415.14426	6.6
445.36063	0.6
591.26270	6.7
609.27856	5.2
657.34869	2.9
675.35815	4.5
759.23590	0.9
869.49115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.1
71.01380	49.6
72.01717	0.9
72.99299	3.6
73.02946	12.9
75.00848	1.0
83.01389	9.1
85.02948	23.5
87.00877	5.8
88.98796	1.8
89.02443	18.8
89.03000	0.9
95.01381	4.6
95.69671	0.5
96.95969	0.5
97.02934	1.8
98.19836	1.3
99.00871	5.5
101.02442	33.6
102.02806	0.8
111.00872	1.5
113.02443	18.6
114.02760	0.7
115.00366	1.7
115.05518	2.2
116.92867	0.6
119.03494	6.0
125.02425	2.0
129.01912	1.0
131.03502	1.3
143.03505	1.2
151.04022	1.0
159.02942	2.0
161.04541	4.7
163.03990	0.8
164.63980	0.6
165.05568	0.8
175.02444	1.8
179.05600	1.1
187.03972	2.2
188.04373	0.9
246.78424	0.7
285.04037	1.9
417.99722	0.5
671.88892	0.6
705.11102	0.6
781.46991	0.5
799.48444	11.7
800.48718	1.8
961.53601	100.0
962.53931	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	962.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28542	2.0
70.28900	5.7
71.01387	12.5
72.99302	6.3
75.00872	35.1
79.64125	1.8
83.01384	1.9
85.02933	5.8
87.00877	20.1
89.02438	2.3
90.54282	1.6
95.49918	1.6
97.02957	2.2
99.00873	2.2
101.02429	3.5
109.02930	4.0
112.13114	1.7
113.02477	4.4
115.00373	51.3
123.04514	2.0
125.02386	2.8
127.04013	4.2
135.02957	4.6
171.10286	22.1
175.02475	87.7
176.02835	2.9
193.12358	2.3
195.13899	2.8
197.11809	24.6
198.46533	1.7
208.89705	1.9
208.97327	1.8
211.13226	1.9
221.11737	4.1
223.13350	2.3
239.12840	6.4
241.14523	3.1
253.09256	5.6
267.12384	5.3
277.21695	44.4
278.22046	3.4
285.13461	12.6
352.70572	1.9
397.02252	1.8
503.21423	7.2
521.22449	8.1
737.39795	2.4
759.42993	2.5
777.41486	4.0
779.42523	15.6
780.41968	2.8
781.43762	100.0
782.44067	15.3
803.42120	3.2
811.45111	3.3
821.43146	25.7
822.43463	4.9
839.44464	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	963.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.2
71.01383	7.5
71.56440	0.6
72.99300	0.7
73.02944	1.9
81.03465	0.7
83.01388	1.4
85.02956	6.3
87.00874	1.6
89.02458	2.5
93.03457	1.7
95.01408	3.2
97.02959	0.8
99.00870	1.7
101.02439	5.1
108.02174	65.7
109.02966	24.5
110.03297	0.9
113.02444	3.3
115.00377	2.0
115.05551	1.5
119.03503	0.9
121.02956	2.3
123.00882	1.8
123.04532	7.7
124.04880	0.5
125.02454	1.4
127.32198	0.5
133.02965	2.7
135.00891	3.0
135.04527	1.3
136.01723	0.6
137.02460	0.5
149.02399	1.2
150.03172	0.9
151.04030	2.0
152.01154	71.5
153.01945	29.6
153.05568	10.6
153.06741	0.9
154.02338	0.8
161.02420	0.5
161.04607	1.3
163.03972	1.9
165.01917	2.6
165.05515	1.2
174.01701	0.5
174.88985	0.7
175.02528	2.8
176.01166	1.1
177.01929	23.9
179.03406	0.5
179.07095	0.6
187.04030	1.2
191.03587	0.6
195.02870	0.6
195.06662	0.9
213.05562	1.7
225.03926	0.6
241.05025	5.9
249.04082	0.6
255.06715	1.7
256.07385	13.2
257.07758	1.1
261.14938	0.4
271.09756	10.7
272.10037	0.6
285.04080	0.9
315.07220	100.0
315.77109	0.5
316.07541	5.2
323.09808	1.0
327.12384	1.5
331.18481	0.6
333.38223	0.6
339.07166	33.4
340.07513	1.9
360.56729	0.5
373.12900	0.6
374.13110	0.5
375.14279	1.0
383.06143	27.4
384.06418	2.8
401.07257	5.5
433.13623	2.2
461.23956	1.7
529.22968	1.1
545.10376	0.5
579.20880	9.8
580.21356	1.3
647.20026	1.5
962.53601	1.2
963.28058	9.4
963.53900	1.6
964.29150	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	963.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	0.4
71.01385	4.9
72.99292	0.5
73.02940	1.9
83.01393	0.7
85.02947	4.1
87.00867	1.1
89.02431	2.1
91.05552	0.6
93.03448	0.4
95.01407	1.3
97.02950	0.3
98.20754	0.6
101.02448	4.2
111.62723	0.3
113.02444	6.7
115.00384	1.1
115.05535	73.4
116.05881	2.8
117.03456	2.2
117.07107	11.3
118.07452	0.3
119.03522	1.7
121.02964	0.6
123.04520	3.8
131.03499	0.7
131.44542	0.3
132.05708	0.3
143.03465	0.8
143.05031	7.9
144.05321	0.5
149.04546	0.8
161.04601	2.5
161.06064	25.0
162.06383	1.2
175.02477	1.0
176.02760	0.4
179.05644	0.5
187.03999	100.0
188.04314	4.2
199.65813	0.3
205.05049	4.7
221.06644	1.1
221.09668	0.5
285.09549	0.3
323.11295	0.9
367.10159	0.3
427.12399	2.0
428.12839	0.3
473.14505	54.5
474.14850	5.0
515.15527	2.3
612.48804	0.3
653.21094	0.5
695.21863	30.0
696.22375	3.2
751.14709	0.3
778.97961	0.3
903.66852	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	963.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26860	4.5
71.01381	3.8
72.01768	0.6
73.02946	1.2
79.28643	0.4
79.91799	0.4
81.27722	0.4
83.01401	0.8
85.02979	1.3
87.00854	1.1
87.32727	0.4
89.02452	1.8
93.03455	3.3
95.01390	0.7
95.05043	0.6
95.17579	0.4
99.00872	0.9
101.02451	2.9
105.03455	0.6
105.71617	0.5
108.02220	1.2
109.02988	0.6
113.02448	1.7
115.00333	0.7
115.05565	2.6
119.03516	1.1
119.05048	0.5
121.02941	10.0
121.03748	0.9
122.03750	10.5
122.75645	0.5
123.04520	1.5
125.02462	0.5
129.50613	0.5
130.04236	0.5
132.02187	0.8
133.02965	1.2
134.03761	0.8
135.04506	1.4
136.01653	1.9
137.02486	0.9
143.03488	0.5
143.27216	0.4
145.02957	1.0
146.03738	19.7
147.04460	1.4
149.02434	62.6
150.03224	81.4
151.03516	3.1
153.01891	0.8
153.05528	1.0
161.04695	0.6
161.06059	6.0
162.03238	0.8
163.04004	1.9
164.04784	26.6
165.05560	98.8
166.05888	3.4
175.02446	1.3
175.04027	0.6
178.02678	0.6
179.07127	31.1
180.04279	6.3
180.07446	1.6
182.52357	0.4
187.04033	3.2
193.05063	0.5
195.06618	92.8
196.06979	3.5
199.13388	1.4
251.07121	0.7
253.08942	0.5
255.06569	0.9
256.07318	1.0
263.06995	1.2
264.08121	0.6
268.07434	0.8
269.08023	0.6
271.09680	0.6
280.07468	1.2
281.08142	2.2
283.09695	2.1
293.08163	0.5
296.10318	0.5
297.07584	1.7
301.24725	0.5
309.07703	4.6
312.10025	28.0
313.10355	1.8
323.09308	1.0
324.09985	1.7
327.12347	100.0
328.12714	7.0
339.12308	5.1
345.13321	0.5
357.13367	0.7
367.15216	0.5
369.13412	3.3
370.13812	0.6
375.14478	31.8
376.14737	2.4
417.15427	1.6
455.73343	0.4
473.14453	2.0
695.22028	0.7
801.48340	0.5
962.53918	2.2
963.54980	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	964.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	17.1
81.81551	5.8
85.02934	7.4
93.58992	5.1
98.19826	11.0
101.02446	6.8
111.28249	5.1
115.05525	6.9
187.03998	9.7
755.44147	9.3
901.50159	100.0
902.49988	12.3
964.49060	38.1
965.48114	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	964.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	15.9
74.87764	12.6
89.16256	12.4
101.02470	15.6
117.65160	12.7
117.89861	12.5
178.27126	14.0
211.13440	61.4
212.13741	30.4
277.21497	25.9
278.22147	29.1
279.23325	100.0
357.02902	11.6
397.13428	17.3
447.25211	56.3
540.71686	13.4
778.94824	16.1
850.65283	15.6
853.77191	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	964.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
68.14954	15.8
71.01382	17.3
71.56198	23.2
71.56862	15.2
78.94122	14.1
89.02446	28.2
101.02456	17.3
113.02402	16.8
119.70444	19.0
133.42026	15.5
149.91925	15.9
211.13431	100.0
212.13689	45.6
213.13866	20.5
277.21725	64.5
278.21933	25.4
279.23151	32.5
320.19373	14.7
397.13507	23.9
399.14093	21.1
442.06937	15.0
969.32483	18.8
994.59894	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	967.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63612	0.8
71.01389	1.7
80.41707	0.8
80.96515	1.3
85.02959	1.3
91.05543	4.3
91.89065	0.8
95.05044	0.8
98.19886	1.4
115.05540	63.1
116.05886	2.2
117.03454	3.4
117.07117	10.2
121.03024	0.7
123.03619	1.3
123.04526	21.9
125.02436	1.6
133.06598	3.5
135.04520	1.2
143.03496	2.0
143.05023	5.2
161.04829	0.9
161.06076	23.2
161.07410	1.3
162.06345	0.9
163.04001	10.6
187.04007	100.0
188.04338	4.7
205.05078	9.5
285.09738	5.1
291.16156	0.9
333.13586	0.9
431.21176	0.8
473.14575	20.0
474.14798	1.4
474.46729	0.9
491.15619	16.2
492.15820	1.2
496.95343	0.9
515.15674	2.5
528.77551	0.8
587.77551	0.8
612.74365	0.9
679.20251	3.2
718.36761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.5
69.03457	0.3
69.19707	1.2
71.01389	1.0
72.99291	0.2
73.02936	0.5
79.76904	0.1
81.03439	0.2
83.01378	0.4
83.14876	0.1
85.02950	1.1
87.00872	0.4
87.41714	0.1
91.05531	6.8
92.05824	0.2
93.03446	0.6
95.05020	0.9
97.02936	0.4
99.00880	0.1
101.02442	0.7
105.03519	0.2
113.02439	0.5
115.05536	61.2
116.05882	2.1
117.03459	3.2
117.07101	10.4
118.07396	0.3
119.05034	0.3
121.02946	0.4
123.04522	19.7
124.04847	0.3
125.02424	0.9
131.05022	0.4
133.06599	3.8
134.06903	0.2
135.04518	0.9
141.07098	0.4
143.03499	2.0
143.05011	5.3
149.02470	0.4
149.06067	0.8
157.04933	0.2
157.06541	0.2
159.04483	0.6
159.08131	0.2
161.04633	1.3
161.06065	21.8
162.06386	0.7
163.04002	10.5
164.04337	0.4
167.03581	0.2
177.05547	0.2
178.36562	0.2
182.38774	0.1
183.37738	0.1
185.04518	0.7
185.06091	0.4
187.03996	100.0
188.04330	3.3
201.05556	0.3
203.07222	0.2
205.05052	8.7
205.68784	0.2
206.05333	0.2
221.09697	0.3
229.05051	0.4
247.06055	0.3
261.53036	0.1
285.09784	4.6
286.10037	0.3
295.06104	0.2
327.11020	0.2
345.78922	0.1
473.14493	19.8
474.14941	1.9
491.15561	15.3
492.15784	1.5
515.15601	2.9
533.16785	0.3
558.55151	0.2
661.19269	0.2
679.20270	3.3
680.20300	0.4
721.21722	0.7
722.21954	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99818	0.6
69.03474	0.4
69.71732	1.0
71.01382	1.1
71.03494	0.2
72.99305	0.3
73.02950	0.4
73.83858	0.1
81.03493	0.3
83.01413	0.3
85.02948	1.3
87.00879	0.5
91.05535	3.8
93.03448	0.4
95.05045	1.0
97.02955	0.5
98.19882	0.3
101.02457	1.0
105.03470	0.3
113.02454	0.5
115.05538	59.4
116.05865	2.2
117.03466	3.0
117.07107	10.4
118.07452	0.2
118.09805	0.2
119.04982	0.2
121.02967	0.5
123.04525	20.0
124.04841	0.4
125.02407	1.1
131.05034	0.4
133.06595	4.0
133.07530	0.3
135.04546	0.8
141.07104	0.3
143.03493	2.0
143.05023	5.8
144.05258	0.2
146.32640	0.2
149.02440	0.3
149.06050	0.6
157.05019	0.3
157.06554	0.2
159.04510	0.7
159.08199	0.3
161.06071	23.5
162.06445	0.9
163.04010	11.1
164.04396	0.3
175.02428	0.2
177.05493	0.4
185.04527	0.6
185.06065	0.3
187.04001	100.0
188.04347	4.3
205.05061	9.1
205.07043	0.4
206.05403	0.4
212.93549	0.2
223.11366	0.2
229.05069	0.6
267.10355	0.2
276.87131	0.2
277.78433	0.2
285.06799	0.3
285.09808	4.2
323.11337	0.3
327.10895	0.4
473.14508	18.3
474.15012	1.6
491.15582	12.7
492.15985	1.1
515.15503	3.0
516.16046	0.4
533.16382	0.7
599.17163	0.2
679.20288	2.7
680.21179	0.4
721.21277	0.7
878.14685	0.2
968.61224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01003	1.0
71.01382	15.2
72.99300	1.1
73.02930	1.5
75.00871	0.6
83.01363	1.7
85.02981	4.4
87.00851	1.4
89.02447	11.4
94.06618	1.0
95.01378	1.7
101.02451	9.2
104.05061	0.7
106.06631	4.2
107.03741	1.0
113.02452	5.8
119.03471	2.8
120.08176	6.6
121.05309	1.3
122.06128	16.0
123.04491	0.6
132.04538	1.8
134.06120	23.9
135.06485	0.9
136.07695	1.1
148.04085	0.6
148.07704	0.7
150.05563	1.4
151.03867	0.8
152.07167	5.1
158.02472	1.0
160.04012	0.7
161.04716	1.0
162.05670	0.7
172.07719	0.7
190.05074	3.7
192.06723	0.7
214.79695	0.6
221.10780	2.3
223.08849	3.1
224.09506	1.7
225.10358	2.5
227.11977	0.7
236.09514	0.9
237.06552	0.8
237.10341	3.5
238.11110	2.1
239.11905	6.8
241.13383	1.2
249.06686	1.5
249.10298	1.4
250.07388	1.4
251.08199	3.7
251.12003	4.0
261.10156	0.7
262.07559	0.7
263.08218	3.8
263.11749	1.2
264.08984	5.8
264.12128	1.3
265.09839	7.3
267.11346	0.8
271.10764	1.0
276.09036	1.7
277.09790	5.1
278.10504	1.9
279.08420	1.1
279.11386	15.4
280.11948	2.2
281.12772	1.2
285.12448	1.2
291.07928	1.1
291.11343	4.6
292.12161	2.6
293.12875	1.7
294.13693	0.8
305.09396	3.5
305.12375	0.7
306.09946	1.0
307.10846	2.0
309.08789	0.7
314.12350	1.8
318.09912	0.7
323.10327	1.1
324.11124	2.8
325.11911	1.0
326.12796	0.9
329.15012	0.7
337.11832	2.8
342.16052	2.6
354.12061	1.0
358.15442	1.1
360.17282	1.3
370.15509	1.3
372.17273	1.0
384.17090	2.0
386.14688	1.5
386.19101	1.1
402.18048	1.7
414.18195	0.9
426.18372	1.4
427.19128	0.9
428.16071	1.4
430.17606	1.3
443.18533	0.7
444.19272	2.0
446.16751	1.1
453.16733	0.9
454.17752	0.6
460.18817	1.0
471.18042	1.2
472.18771	2.5
473.19122	1.9
488.18747	0.8
489.18793	0.9
490.19846	4.2
518.18964	0.9
547.23285	0.8
564.22998	0.9
575.23083	0.9
606.24554	2.0
610.24243	1.3
623.25146	1.1
632.22729	1.3
633.23254	1.5
650.23523	3.1
651.24518	5.5
664.25330	3.1
682.26324	4.3
683.26855	1.6
724.26617	1.6
745.30591	0.8
755.29199	8.3
756.29370	1.4
773.30341	73.2
774.30780	12.1
787.31830	11.1
788.32043	2.3
797.29944	1.1
805.32977	100.0
806.33331	18.4
829.33551	3.7
830.32959	0.9
847.33807	6.1
848.34277	1.2
906.67151	2.2
966.66089	6.3
967.66394	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	967.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71580	4.6
71.01005	1.2
71.01383	22.8
72.99298	2.5
73.02946	1.9
80.05052	1.5
83.01377	1.9
85.02956	7.2
87.00864	1.8
89.02447	16.0
93.37231	0.8
95.01376	1.7
96.95994	0.9
99.00884	1.3
101.02444	11.9
106.06644	5.0
107.03774	1.7
108.60869	0.8
113.02457	8.9
119.03526	4.8
120.08168	3.7
122.05334	1.2
122.06144	14.8
123.00896	0.9
125.02405	2.0
132.04546	2.1
134.06133	33.2
135.06458	1.1
136.07666	1.5
145.03061	1.1
150.03210	1.1
150.05627	1.6
152.07170	6.7
160.04030	1.4
161.04683	1.8
161.06007	1.2
162.05624	1.1
165.05603	1.3
175.02504	1.4
176.15891	0.8
179.07120	1.5
180.31259	0.9
190.05058	3.0
195.06602	1.1
211.08606	1.2
213.10324	1.8
215.11826	1.3
221.10759	1.5
223.08803	1.8
224.09497	1.9
225.10374	2.1
227.11807	1.2
235.08775	1.2
237.06787	1.1
237.10292	3.6
238.10907	1.1
239.11917	4.7
241.13454	3.3
249.10289	2.0
251.08194	3.4
251.11790	2.7
252.12790	0.9
263.08218	3.7
263.12030	0.9
264.09000	3.7
265.09830	7.4
267.11548	1.2
277.09897	4.6
278.10388	1.8
279.11356	13.2
280.12033	1.2
281.12976	1.9
283.10922	1.6
285.12616	2.1
287.14130	0.9
291.11310	3.5
292.08231	0.8
292.12143	1.4
305.09271	2.0
306.10175	1.2
307.10773	3.2
309.07986	0.9
314.12476	2.9
323.10278	1.9
337.11758	1.8
339.13437	1.3
342.15909	2.2
345.14603	1.4
346.15393	1.4
358.11966	1.3
358.19421	1.5
359.16412	1.8
360.17139	3.7
370.15683	1.9
372.13364	1.5
372.17358	1.5
373.14008	1.3
379.08722	1.2
384.17209	3.2
386.14874	4.0
386.19186	1.4
400.16275	1.4
402.18112	3.6
412.17157	1.3
414.18289	1.5
426.17877	1.0
428.16043	2.4
440.15927	1.3
446.17206	1.3
454.17633	1.1
460.18808	3.6
490.19949	2.2
501.86438	0.9
514.18561	1.0
517.17944	1.3
564.23346	1.2
606.24591	1.9
610.23480	1.8
632.21735	0.9
633.23376	1.2
650.23492	2.9
651.24432	3.1
664.23969	1.3
666.23474	1.1
682.26068	2.7
687.30096	3.1
727.28284	1.0
729.31702	5.8
730.31171	1.1
737.28259	1.6
745.30994	1.1
748.63708	1.0
755.29120	6.6
756.29895	1.7
769.31329	1.2
773.30414	43.5
774.30847	9.4
787.32007	58.7
788.32642	11.7
797.31683	1.5
805.33014	100.0
806.33411	18.1
829.32251	2.1
847.33875	8.7
848.34167	1.7
967.29803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	22.5
71.56685	2.2
72.99297	1.7
73.02942	1.6
74.12215	1.1
74.85114	1.1
80.05045	1.5
83.01384	1.5
85.02975	5.8
86.36909	1.1
87.00882	3.3
89.02442	16.1
94.06666	1.2
95.01395	2.8
96.95998	2.0
99.00867	1.5
101.02441	12.5
105.14196	1.2
106.06616	4.4
107.03777	1.5
113.02457	9.3
119.03502	5.8
120.08195	3.5
122.06139	14.3
123.04506	1.6
125.02417	2.0
132.04587	1.5
134.06123	35.9
135.06375	1.6
136.07664	1.3
141.19057	1.1
152.07181	6.8
152.87886	1.2
161.04536	1.6
164.01096	1.3
164.07291	1.3
179.07173	1.5
181.05005	1.1
190.05090	2.9
215.11916	1.6
223.08684	2.5
225.10287	2.9
227.11768	2.0
237.10280	5.0
238.10905	2.0
239.11856	5.6
241.13474	3.6
249.10320	2.6
251.08211	4.7
251.11920	3.7
259.08896	1.2
263.08307	3.3
264.09000	4.6
265.09802	5.2
266.10110	1.1
269.12903	1.6
271.05902	1.3
277.09836	3.3
278.10297	1.3
279.11368	11.1
280.11905	1.4
281.12744	2.3
283.10721	1.8
285.12552	2.1
291.11417	1.9
292.08704	1.2
292.12091	1.6
305.09296	2.4
307.10941	3.0
314.12350	2.4
323.10226	1.7
324.10999	1.5
337.11920	1.8
342.12341	1.6
342.15796	2.1
346.15558	1.3
359.16342	1.5
360.17194	4.0
372.17178	1.7
379.08792	4.1
384.17050	4.8
386.14972	3.4
386.19266	1.6
398.14600	2.8
400.16547	1.5
402.18170	3.0
428.16205	2.6
430.17697	1.2
460.18933	1.7
462.20496	1.2
472.18616	2.1
473.19855	2.0
490.19510	2.0
606.24042	1.6
607.25067	1.4
610.23950	2.0
650.23572	2.1
651.24164	3.1
654.53894	1.4
664.25024	1.9
682.26251	4.0
687.30084	3.5
688.29883	1.6
713.28278	1.7
729.31323	5.0
737.29065	1.5
755.29590	8.7
756.28778	2.6
761.32611	1.1
769.31024	2.7
773.30396	44.2
774.30560	7.9
787.31903	63.3
788.32330	13.7
805.32959	100.0
806.33289	19.9
815.31012	1.4
829.32788	1.4
847.34241	8.7
848.34454	2.4
978.98944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	3.4
83.01379	1.9
85.02944	3.8
87.00898	1.1
88.98823	1.2
89.02415	1.7
91.05541	7.5
95.01372	1.3
97.02944	0.9
98.12176	0.8
98.20678	1.5
101.02420	2.1
108.02174	8.4
109.02979	6.9
113.02438	2.9
115.05542	12.0
117.03470	1.9
117.07110	53.8
118.07444	1.8
121.89213	0.8
123.00877	0.9
125.02385	1.0
131.58289	0.8
133.06583	2.9
135.04517	1.6
136.01656	1.1
143.03488	2.8
143.04991	0.9
148.30775	0.9
149.02504	1.1
159.04524	1.2
161.06079	100.0
162.06401	3.1
163.04025	9.8
165.05597	1.7
185.04504	1.1
187.04001	29.1
188.04416	2.2
195.06541	1.8
205.05064	77.1
206.05373	3.4
271.08206	1.1
297.75641	1.0
328.34027	1.0
350.77060	0.8
396.19601	0.9
459.13269	1.5
473.14673	1.2
477.14130	6.1
615.82611	0.8
828.57910	0.9
911.54822	1.1
971.28278	14.3
972.28925	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	971.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99812	0.6
69.03458	0.8
69.24217	3.6
69.24512	0.3
71.01383	9.8
73.02950	8.1
75.00892	0.7
79.05547	0.4
81.07085	2.7
83.01382	2.9
83.05033	1.4
84.02187	0.4
85.02947	7.3
89.02456	0.8
93.03461	0.9
94.04262	0.9
95.01391	1.0
95.05022	1.3
97.02962	1.3
99.00903	0.5
101.02438	7.3
109.06580	5.3
113.02454	7.9
119.03473	1.0
121.02925	1.0
123.04527	21.7
124.04846	0.4
125.02476	2.4
127.07655	26.5
128.07982	1.1
131.03517	0.8
137.02467	0.4
138.03220	8.7
143.03508	7.2
149.02480	0.6
149.04599	1.0
150.03252	0.5
153.05574	100.0
154.05891	3.3
155.03477	0.9
161.04561	2.9
162.03214	0.9
165.05466	0.4
171.06638	17.1
172.06915	0.6
173.43715	0.3
177.05510	0.6
179.05551	0.6
195.06529	1.1
203.05630	3.8
221.06656	1.1
263.07791	0.6
285.09790	1.0
289.12775	0.6
345.11926	1.6
421.15033	0.6
435.15155	3.7
439.16064	60.0
440.16464	4.5
481.17126	8.9
482.17679	0.8
661.23328	1.8
703.24536	38.6
704.24890	5.5
712.88672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34915	0.5
71.01385	13.9
71.56941	0.7
73.02950	10.1
75.00881	0.5
75.52813	0.5
75.67493	0.6
77.01029	0.6
81.07085	2.0
83.01400	3.5
83.05023	1.1
85.02946	3.6
87.00846	0.7
89.02457	3.4
93.03457	3.2
94.04224	0.5
95.01372	0.9
95.05043	1.3
97.02949	1.3
99.00889	0.7
101.02451	10.7
105.03470	0.8
105.55624	0.6
108.02157	0.6
109.02997	0.7
109.06602	6.5
113.02460	6.7
115.00396	0.6
119.03506	1.7
119.05009	0.7
121.02963	3.5
122.03752	5.3
123.00945	0.7
123.04530	23.2
124.01718	1.0
124.04872	0.8
125.02451	3.4
127.07655	27.8
128.07980	0.7
131.03555	0.8
132.02086	0.9
133.02960	1.0
134.03743	0.7
135.04468	0.6
136.01688	1.4
137.02449	1.1
138.03236	8.1
143.03526	4.6
145.02925	0.7
149.02443	10.3
149.04498	1.0
149.99557	0.9
150.03229	43.9
151.00424	0.8
151.03844	2.7
153.05576	100.0
154.05882	3.1
155.03497	1.0
160.01640	1.2
161.02440	0.6
161.04553	2.4
161.05954	1.0
162.03233	1.8
163.03947	1.3
164.04761	1.7
165.01889	1.2
165.05568	39.1
166.02776	2.7
166.05919	1.2
167.03496	0.6
168.04266	1.4
171.06642	16.1
177.05557	1.5
179.05714	0.8
179.07195	2.0
180.04297	3.5
181.05013	3.1
183.06610	1.2
192.04276	0.6
193.05032	0.9
195.06624	30.2
196.06949	1.5
203.05537	3.1
205.05055	1.2
221.06592	1.5
225.07655	1.0
263.07718	1.4
285.04208	1.0
285.09698	0.8
292.61093	0.6
345.11917	1.4
387.14487	1.5
400.64294	0.7
401.17255	0.6
417.15442	3.2
435.15067	3.6
439.16092	68.8
440.16531	5.3
454.59860	0.6
481.17188	7.0
551.43616	0.6
565.20313	2.9
613.22644	4.0
661.23578	1.9
703.24524	39.3
704.25006	5.5
761.27753	2.5
791.27942	0.8
809.30530	5.2
810.30450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66279	1.9
71.01385	5.5
73.02956	0.9
83.01384	0.4
84.32466	0.3
85.02968	1.8
89.02450	4.2
93.03464	5.2
95.01392	1.4
95.05025	0.8
101.02463	2.7
105.03527	0.5
107.05064	0.5
108.02202	1.3
109.02957	2.2
109.06576	0.6
113.02439	1.7
115.83380	0.4
119.03513	1.2
119.05003	0.5
121.02965	8.3
122.03742	16.7
123.00929	0.9
123.04568	3.1
124.01662	0.9
125.02480	0.6
127.07676	1.8
132.02197	1.2
133.02962	2.8
134.03754	3.4
135.04524	1.8
136.01668	7.1
137.02449	6.6
138.03223	1.6
139.00412	0.6
139.03964	0.6
143.03571	0.6
145.02968	1.2
146.03760	2.0
147.04495	1.5
148.01666	0.6
149.02443	33.0
149.06056	3.9
150.03224	100.0
151.00331	2.9
151.04010	13.1
152.01140	0.9
152.04749	1.4
153.01910	0.8
153.05566	6.9
161.02429	1.0
161.04590	0.8
161.06053	1.1
162.03186	1.9
163.03993	1.3
164.04776	7.2
165.01924	1.6
165.05566	82.2
166.02719	7.9
166.05902	3.5
167.03444	0.8
171.06671	0.8
175.04019	1.2
177.01900	1.2
177.05595	2.6
178.02754	0.7
179.03502	1.9
179.05623	1.0
179.07124	7.2
180.04289	6.2
181.05061	11.0
181.06563	0.8
182.05397	0.4
184.03725	0.6
187.04022	1.4
190.02756	0.7
191.03528	1.0
192.04173	0.8
193.05064	1.0
195.06624	34.3
196.06966	1.5
203.03523	0.5
205.05016	3.2
206.05518	0.4
207.06651	1.1
219.06651	1.2
220.07445	2.6
221.08237	0.6
225.07635	1.5
235.09766	0.4
238.88535	0.4
253.04948	0.4
282.05444	0.8
296.07034	0.4
296.53583	0.4
311.09283	0.9
315.08667	0.9
323.09241	0.9
329.10379	1.3
339.08652	2.4
354.10956	1.4
355.11914	0.9
369.13382	5.4
370.13901	0.6
372.12082	0.5
373.12830	1.0
387.14780	2.2
402.13141	1.2
403.13867	0.7
416.14630	1.1
417.15549	6.5
421.14929	0.8
439.16180	4.0
457.14661	0.4
481.17004	1.0
535.15778	2.0
550.18298	1.6
551.19250	0.8
563.18866	0.5
564.20154	1.8
565.20740	18.4
566.20959	1.9
595.21844	2.7
612.22296	0.7
613.22839	9.3
614.23230	1.3
619.21704	1.5
667.23962	1.6
703.24445	2.0
713.26044	12.2
714.25897	2.1
725.26093	0.6
743.27112	8.1
744.27118	1.2
761.28082	13.4
762.28406	3.1
773.28534	1.2
791.29254	5.1
809.30280	14.7
810.30762	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	971.356
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22041	2.9
69.22446	1.1
71.01384	7.4
71.01763	0.5
73.02932	0.7
83.01388	0.8
85.02970	2.7
87.00884	1.2
89.02446	5.2
93.03460	4.1
95.01394	0.9
95.05029	0.5
96.96029	0.6
101.02451	4.0
105.03475	0.5
108.02201	1.3
109.02946	2.0
113.02454	2.9
119.03510	2.2
119.05009	0.6
121.02956	5.6
122.03747	16.3
123.00886	1.2
123.04592	1.0
124.01671	1.2
125.02463	1.2
133.02971	1.7
134.03787	1.7
135.04552	0.9
136.01682	6.2
137.02460	4.6
143.03563	0.8
145.02921	1.0
146.03714	1.0
149.02448	25.0
149.06075	0.9
150.03229	100.0
151.00360	3.1
151.04021	9.4
152.01245	0.5
152.04791	0.8
153.01900	0.5
153.05620	1.5
160.01590	0.6
161.02444	1.0
161.04587	1.7
161.06076	1.1
162.03247	4.0
163.03970	0.7
164.04813	4.8
165.01938	3.2
165.05569	90.5
166.02721	8.0
166.05853	3.4
167.03464	0.9
172.34004	0.4
175.04053	1.8
176.04659	0.6
177.01985	2.0
177.05592	3.4
179.03516	1.9
179.05557	1.7
179.07155	4.7
180.04280	9.5
181.05064	8.9
184.03697	0.5
187.03999	0.9
189.28676	0.5
190.06500	0.6
191.03534	0.7
192.04301	1.5
193.05104	1.1
194.05760	0.6
195.06624	59.9
196.06984	2.3
205.05035	1.8
207.06642	2.1
208.72659	0.5
210.05246	0.6
219.06604	1.2
220.07376	1.2
225.07661	4.1
241.04961	0.5
253.04877	0.6
256.07391	1.3
271.09763	1.8
282.05630	0.5
329.10272	0.6
341.10800	1.3
343.11658	0.6
357.13403	0.8
369.13666	0.5
372.12009	0.5
373.12955	1.3
387.10168	0.6
387.14734	3.6
402.13165	0.9
403.14017	0.8
409.09760	1.0
416.14615	0.5
417.15576	7.4
418.15710	0.6
421.15021	2.1
433.15002	0.6
481.16971	0.6
535.17889	1.2
561.28650	1.1
564.20264	0.5
565.20782	14.4
566.21216	1.2
583.20618	0.7
595.22040	3.0
613.22968	9.4
613.32581	0.9
614.23590	0.7
667.23950	1.1
706.29626	0.5
713.25665	1.7
743.27356	1.9
761.28101	9.3
762.28418	1.8
765.44379	1.5
773.28741	0.5
791.28955	3.1
809.30115	12.0
810.30615	2.2
914.37848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5502
Annotation	Unknow
Peak:m/z	Relative Intensity
70.05777	34.0
71.01370	15.8
75.26591	8.6
98.19920	9.6
124.16543	8.8
126.69820	9.1
132.64905	9.4
145.82515	9.0
150.93665	7.9
208.49706	9.7
244.58531	9.6
277.21722	100.0
309.87875	9.0
379.12183	18.3
384.79031	9.4
397.13577	48.3
423.80145	9.8
622.01105	10.9
971.53735	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	971.5953
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.2
69.73878	0.4
70.28880	1.5
71.01385	15.5
72.99304	1.8
73.02956	2.8
73.83524	0.4
81.03452	0.5
83.01390	2.1
85.02955	4.1
87.00874	4.2
89.02448	14.5
89.02997	0.8
91.04026	0.6
95.01382	1.4
97.02937	2.8
99.00882	1.5
101.02446	12.7
111.08151	0.5
113.02451	6.0
115.00364	1.2
119.03498	3.7
124.26141	0.4
124.78860	0.4
125.02441	6.1
131.03464	0.6
131.35170	0.4
133.05070	0.8
136.08958	0.4
141.01907	0.5
143.03519	2.5
149.04564	0.6
161.04546	3.4
167.03433	0.8
167.10803	0.6
179.05603	2.9
179.14449	0.7
195.13873	7.9
205.12300	1.0
205.15880	0.5
211.13358	0.6
217.07332	0.7
221.06636	0.9
221.15402	1.0
223.13399	6.3
224.13861	0.6
228.13623	1.0
235.08229	7.4
236.10503	1.2
253.09148	1.3
256.13156	1.8
263.07578	0.6
265.21823	0.6
275.20157	4.5
279.23285	48.4
280.23611	3.0
287.04926	0.4
287.07675	2.2
291.19305	0.5
293.21228	100.0
294.21570	7.1
305.08844	3.0
323.09662	0.8
379.12509	0.7
397.13504	70.1
398.13971	3.7
415.14557	24.5
416.15134	1.1
644.27997	0.5
677.38269	3.2
678.37616	0.6
770.42279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03477	1.1
71.01385	23.7
71.56028	1.4
73.02956	7.2
81.03445	1.8
83.01372	2.8
85.02950	23.0
91.05505	1.3
95.01400	2.2
97.02966	3.9
99.04550	1.2
101.02457	7.0
112.79511	1.0
113.02444	26.4
113.03170	0.9
115.05540	57.5
116.05874	2.4
117.03470	1.8
117.07101	22.8
125.02477	7.4
131.03561	1.1
133.06604	1.7
143.03497	35.4
143.04922	4.9
153.05568	8.7
155.03520	2.3
161.06076	74.5
162.06429	4.0
187.04005	100.0
188.04375	4.6
203.05537	3.5
205.05115	6.8
221.06575	1.1
223.06136	1.9
300.40353	1.1
315.10718	3.7
323.11356	14.4
324.11691	1.2
375.12909	6.3
411.86600	1.2
469.13428	8.5
470.14020	1.7
503.15573	17.2
504.15906	2.8
519.18469	2.3
578.19788	1.0
614.88373	1.2
767.23944	18.3
768.24304	3.4
805.58618	1.1
880.65302	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03477	6.3
70.38356	23.9
71.01376	24.0
73.02987	7.5
87.00875	12.4
89.02429	17.6
90.36494	8.7
101.02428	19.9
113.02412	8.9
125.02370	11.9
146.63718	6.8
165.72719	5.9
179.05396	5.8
202.24567	6.6
227.79042	6.5
235.08130	9.6
241.44760	6.2
255.23285	99.7
273.81494	6.0
277.21716	100.0
377.63385	6.2
379.12411	28.0
397.13559	62.5
415.14804	9.6
436.68250	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	976.5847
Annotation	Unknow
Peak:m/z	Relative Intensity
71.18159	100.0
78.67855	41.4
120.79099	43.7
159.78333	44.3
160.19080	42.4
234.23439	39.6
330.56097	47.3
404.16113	47.1
458.34464	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	977.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	54.0
72.99312	5.2
73.02960	6.6
76.63149	2.0
83.01378	6.8
85.02959	11.0
87.00879	66.6
88.98780	2.6
89.02436	12.6
91.18343	2.0
99.00874	4.1
101.02435	18.2
104.05073	5.5
106.06623	11.6
112.94282	2.1
112.98751	3.0
113.02454	11.8
115.00378	63.9
115.05472	3.3
116.92801	2.4
119.03536	4.8
119.05069	3.0
122.06109	5.5
123.04522	4.6
125.02428	5.2
127.00349	3.4
134.05203	4.1
134.06137	50.7
136.01624	2.4
143.03484	2.4
145.03020	3.0
148.04082	5.7
149.02492	2.6
150.03244	4.6
152.07196	6.4
161.04602	4.5
161.06073	5.0
164.04697	2.5
165.05571	4.0
166.02792	2.5
175.02478	79.8
175.03931	2.8
177.31955	2.5
187.04077	5.8
195.06628	3.8
213.10390	2.9
256.07523	2.7
265.09888	2.9
267.11307	9.5
277.09558	2.3
279.11203	2.9
293.09277	7.0
295.10965	3.0
323.09631	3.6
330.15799	2.7
356.14227	2.7
372.17313	3.1
374.15005	2.5
468.73404	2.4
477.23438	2.5
493.22250	2.6
521.21698	9.4
545.22028	3.1
607.21771	5.5
608.22662	4.2
632.22668	4.6
699.27588	3.1
725.28265	9.4
726.28790	3.5
727.26190	100.0
728.26343	21.7
744.46094	2.6
769.27234	70.7
770.27289	12.1
785.27277	7.6
801.29913	85.2
802.30182	19.9
827.27936	7.3
859.29614	3.0
976.51581	3.5
977.35138	4.1
977.40265	3.0
977.53638	17.6
978.52289	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	979.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.6
71.56300	0.7
85.02966	1.3
87.02930	0.5
88.48701	0.6
89.02439	4.1
91.05528	5.6
93.03459	1.3
95.01385	0.6
97.02936	0.8
101.02428	2.8
113.02482	1.8
115.05532	1.3
117.03477	0.8
117.07106	41.5
118.07440	1.4
119.03522	1.5
119.04984	0.8
123.04455	0.9
125.02482	4.0
133.02925	0.7
133.06613	1.4
135.04517	2.1
137.02464	4.8
146.27231	0.6
149.02409	1.3
158.35464	0.6
161.06079	79.0
162.06371	2.6
164.01170	8.0
175.03984	0.7
176.01071	0.6
177.01920	1.1
179.05637	2.1
187.04059	2.6
205.05051	41.3
206.05392	1.6
255.02986	0.6
255.06532	1.1
271.06104	4.9
273.07635	1.7
280.07059	0.6
282.08688	0.7
296.07095	0.7
297.07672	2.5
325.07169	1.3
341.12616	0.6
353.06644	7.2
355.08069	0.7
378.04651	0.6
383.07669	3.8
385.11407	100.0
386.11768	5.6
435.12823	4.1
436.07813	0.6
473.10968	1.0
543.12811	3.7
593.15063	17.9
594.15472	1.8
610.83356	0.7
707.19409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.272
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	2.3
69.52125	0.6
69.52532	1.9
71.01378	2.0
73.02953	0.6
79.01930	0.6
81.03471	1.1
83.01389	1.1
85.02965	1.0
87.00881	0.5
89.02444	0.8
95.01361	1.6
97.02957	2.0
99.00871	0.3
101.02460	1.4
107.01402	1.3
108.02160	0.5
109.02972	0.5
113.02436	1.0
115.00379	0.4
121.02959	0.4
123.00893	4.9
123.04526	1.0
124.00742	0.4
124.01668	12.7
125.02452	50.0
126.02802	1.4
135.04619	0.4
136.01653	0.6
137.02454	1.6
139.03986	0.4
149.02429	0.6
149.99588	26.2
151.00363	3.4
151.03963	0.5
151.76616	0.3
161.02278	0.3
161.04492	0.4
165.01941	0.3
165.05521	0.3
165.97516	0.4
167.03539	2.0
168.00642	61.7
169.01428	6.1
175.02489	0.7
177.01903	0.4
192.00656	0.9
193.01398	0.8
200.88106	0.3
211.02486	0.5
213.05629	0.9
229.08681	1.0
230.40160	0.3
241.05054	2.6
255.06715	0.6
256.07437	4.5
257.08026	0.3
271.09827	2.0
292.78336	0.3
313.05664	8.8
314.05920	0.9
331.06699	100.0
332.07080	5.2
399.05667	19.5
399.20392	0.6
400.06015	0.9
403.08243	0.4
511.21448	0.3
599.01935	0.3
978.52142	0.4
979.27197	17.7
980.27740	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	979.487
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78395	1.5
71.01378	26.0
73.02950	6.1
83.01395	4.3
85.02965	10.5
87.00880	8.4
89.02448	8.9
95.01379	2.1
96.56009	1.7
99.00853	2.6
101.02448	17.4
103.04033	2.2
108.05181	1.7
111.00879	2.3
113.02455	15.3
115.00373	3.8
115.05544	5.3
116.92842	8.5
117.07112	2.6
119.03519	3.0
126.50455	1.5
131.03485	2.1
143.03517	5.0
151.03925	1.6
161.04611	3.5
161.06090	5.0
175.02455	6.7
187.03969	7.0
188.04427	1.9
209.50868	1.7
241.05009	2.7
245.83101	1.8
256.07431	3.7
271.09753	4.0
395.59802	1.7
433.15503	2.9
489.34634	4.4
579.20850	3.2
718.03918	1.7
797.45703	9.1
798.46478	2.6
803.38464	3.1
943.51263	100.0
944.51575	22.8
979.49072	6.7
980.48914	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	980.492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	17.1
71.12606	6.0
85.02939	8.6
87.00862	3.8
88.98795	2.7
89.02437	5.3
101.02448	8.9
113.02461	10.6
115.05522	11.5
117.07110	4.5
119.03503	3.2
122.06101	3.7
123.04539	3.6
125.02390	6.5
127.46690	2.8
136.01706	9.6
143.04608	3.6
151.03993	8.2
152.07118	4.4
161.02406	2.7
161.04617	5.1
161.06024	7.2
163.03976	3.8
179.34096	2.5
187.04012	17.4
193.05127	3.2
196.59935	2.8
197.68091	2.8
243.06580	5.2
257.08047	4.2
271.09680	3.8
306.07629	8.2
329.82040	3.1
357.13272	14.2
424.11526	3.6
447.33057	4.6
473.14365	5.6
755.43329	4.3
771.43042	4.2
814.88544	3.3
917.49591	100.0
918.49847	19.7
943.54022	3.4
944.52472	8.5
945.52997	9.1
980.49738	16.6
981.49969	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	981.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	29.8
72.99320	2.4
73.02935	3.9
76.47006	1.2
76.69222	1.3
83.01377	4.5
85.02950	10.5
85.52392	1.2
87.00856	2.8
88.98822	2.7
89.02443	16.6
93.03416	1.3
95.01387	2.4
96.96001	1.5
97.02959	1.3
99.00903	1.6
101.02451	19.5
108.02164	3.8
113.02442	11.8
115.05528	2.4
116.92847	1.5
119.03480	6.4
120.86729	1.2
121.02935	2.0
125.02433	2.8
140.31967	1.3
143.63098	1.3
149.02454	2.8
150.03151	4.7
161.04515	3.6
161.05870	1.5
163.06068	1.2
164.04749	2.4
165.01854	1.8
165.05508	1.9
166.02594	1.3
175.00357	2.4
175.02440	2.2
175.03870	2.0
179.05573	2.6
187.04001	4.5
190.02580	1.7
195.06522	2.1
205.05092	2.1
225.05405	1.8
229.88138	1.6
256.07239	1.8
257.08124	4.4
273.13300	1.1
309.07797	3.0
312.09955	1.8
324.09909	3.0
327.12393	6.8
339.12463	5.9
355.10199	2.4
367.10324	5.7
419.13409	1.9
545.29437	4.5
626.18292	1.9
734.54584	1.6
783.48022	2.4
945.54211	100.0
946.54608	18.0
981.51862	59.6
982.52502	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	982.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
69.04510	8.3
71.01404	43.8
73.02953	10.4
83.81207	9.7
85.02923	13.9
87.38754	8.9
87.72460	8.2
89.02410	15.5
93.95438	8.6
97.82114	8.0
101.02432	20.7
113.02438	19.2
115.00446	8.7
115.05550	78.5
117.07069	19.2
123.04523	22.1
125.02419	9.0
135.04494	10.0
146.08224	9.1
150.03204	10.1
161.04625	13.0
161.06068	37.7
163.04012	9.9
168.21518	8.4
187.04015	100.0
229.91173	9.7
246.50226	9.3
323.09610	10.1
399.16467	11.2
447.15054	16.0
590.65704	9.5
946.54486	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	983.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.7
71.25098	1.4
91.05535	8.5
97.02943	3.6
99.98211	1.0
101.02509	1.5
104.19942	1.2
108.02191	1.5
115.05542	68.7
116.05865	2.4
116.92872	3.8
117.03442	1.7
117.07109	21.1
123.00909	1.9
123.04547	2.9
127.32091	0.9
129.07132	1.6
133.06609	9.8
141.01924	4.2
143.05075	5.8
143.92041	1.0
161.06079	51.4
162.06439	2.2
163.04025	9.0
173.05945	1.1
175.07494	1.1
177.05388	1.0
181.06549	1.4
187.04010	100.0
188.04257	3.0
197.06110	2.1
199.07661	10.8
205.05075	12.9
225.05566	4.3
243.06676	3.1
300.35129	1.2
367.10019	1.1
377.43961	1.2
473.14490	22.8
474.14780	2.7
511.16486	1.6
515.15607	3.1
529.16919	2.5
555.15210	9.0
556.15302	1.7
573.16211	1.7
597.16492	2.1
615.17578	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	983.304
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	1.2
71.01383	17.6
72.99307	1.0
73.02944	2.8
83.01396	3.1
84.17056	0.3
85.02953	10.8
85.03465	0.7
87.00866	2.0
89.02447	9.7
93.03461	1.0
95.01396	1.7
95.04969	0.5
97.02956	1.7
99.00883	6.5
101.02444	11.4
109.02949	0.8
113.02454	12.9
115.05540	76.7
116.05869	2.2
117.03456	2.5
117.07104	11.5
118.07513	0.3
119.03510	4.0
121.02924	0.6
123.04534	5.2
124.93234	0.4
125.02459	3.3
131.03549	0.8
133.06639	0.4
137.02452	1.2
143.03494	4.3
143.05025	6.9
151.03967	0.7
155.03522	0.5
159.03026	0.7
161.04561	11.8
161.06078	18.1
162.06413	0.9
163.03987	1.0
165.05553	0.5
167.03450	0.9
179.03467	0.4
179.05644	3.2
185.04582	0.4
187.04004	100.0
188.04312	3.6
192.35013	0.4
195.06659	0.7
203.03572	0.8
203.05528	0.7
205.03415	0.5
205.05077	2.8
219.95401	0.4
221.06590	1.6
227.05498	0.4
229.42859	0.4
245.06593	0.6
285.10071	0.6
292.37000	0.4
323.09824	58.4
324.10120	2.7
341.11090	0.4
447.15100	8.9
448.15576	0.5
473.14407	0.7
485.17038	0.4
553.15430	0.6
635.19800	19.5
636.20416	2.6
672.20807	0.4
945.53516	1.4
946.53601	0.5
983.31769	2.1
983.49359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31676	55.5
71.01398	10.3
89.02441	7.2
111.95331	5.0
115.05557	18.1
115.77397	6.7
137.02405	8.5
161.06079	11.4
185.56833	6.6
187.04002	60.5
189.89774	6.4
215.06650	8.0
255.03046	11.4
284.03552	8.2
473.14539	100.0
498.93332	7.2
653.20911	65.5
654.21533	7.2
706.80878	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	985.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	4.1
71.56193	1.0
73.02927	0.7
83.01416	0.9
85.02956	1.0
87.00858	1.2
93.03461	12.1
95.01389	1.0
96.96001	1.0
101.02459	1.4
107.01422	0.7
113.02412	0.7
117.03474	0.8
121.02963	1.4
123.04527	1.3
125.02424	2.2
132.02173	2.4
133.02983	1.7
135.04567	1.2
137.02419	1.9
143.05075	0.8
145.02994	1.5
149.02406	1.4
151.00348	2.3
151.03848	0.8
155.56351	0.6
161.02332	0.9
163.03986	1.5
164.01118	1.0
166.39700	0.7
167.05017	1.2
174.03220	0.7
175.02473	1.5
181.06589	0.9
183.04488	1.7
185.02335	0.8
187.03941	1.0
189.01855	1.0
198.03175	1.2
199.04001	1.7
201.02034	0.8
209.06036	2.6
211.03964	1.5
213.01927	1.0
213.05560	0.7
214.02684	1.4
223.03990	2.8
225.01883	1.6
225.05598	0.7
226.02702	1.1
227.03497	12.8
231.02991	2.2
237.02002	1.1
238.02785	0.8
239.03528	1.9
240.04318	0.9
241.01411	1.0
243.02924	4.9
249.01938	0.9
249.05298	0.7
251.03447	1.1
252.04097	0.7
253.01360	1.5
253.05078	16.6
254.02213	1.6
254.05232	0.9
255.02986	45.7
256.03519	4.1
265.05118	1.5
267.02948	14.9
268.03409	0.8
269.00885	2.8
269.04422	0.8
271.02237	1.0
271.05814	1.3
277.04984	1.3
279.02985	2.4
281.00909	3.9
282.01672	1.1
283.02463	4.3
284.03262	13.0
285.03934	10.7
286.04245	0.8
291.06723	1.8
293.00906	4.7
293.04492	2.3
294.01675	2.7
295.02423	7.0
295.05759	1.4
297.03796	1.1
298.01184	2.7
299.01935	1.8
303.06790	0.8
305.04739	1.0
306.09079	0.9
307.02493	5.0
311.01947	1.6
315.06549	1.3
317.04636	1.1
317.08200	1.9
319.06100	1.8
331.06012	2.8
335.05591	1.5
343.06119	1.2
347.05673	1.2
359.05542	2.8
360.06201	1.6
361.07156	34.7
362.07394	2.4
373.07315	0.9
375.04999	2.1
376.05826	2.0
387.05078	9.3
388.05624	1.2
389.06479	2.1
401.06613	3.1
403.04581	4.2
404.05182	3.9
405.06003	2.6
413.06656	1.0
415.04556	2.7
417.06335	1.4
427.04855	0.8
431.03885	1.5
432.04700	5.1
433.05423	2.4
445.05615	5.8
446.06348	1.4
447.09314	22.3
448.09952	1.8
453.09555	1.3
471.11197	1.0
475.08887	2.0
495.10797	1.8
521.08984	1.2
537.14087	1.2
538.09070	2.4
539.09906	22.1
540.10120	2.1
581.13129	7.8
583.10901	3.3
657.16718	1.0
701.15112	100.0
702.15417	15.7
985.23840	21.0
986.23602	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	985.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	16.6
71.54465	0.9
73.02950	3.5
81.03477	1.4
83.01397	3.0
85.02947	13.8
87.00868	1.2
91.05537	3.9
95.01350	1.8
97.02946	3.9
99.00903	1.4
99.04503	1.7
100.51196	1.0
101.02464	3.4
113.02455	15.9
115.05540	47.4
116.05891	2.6
116.92867	2.6
117.03458	2.4
117.07107	33.0
118.07381	1.7
123.04510	8.7
125.02442	7.1
127.04001	2.6
133.06596	2.5
143.03487	20.6
143.04997	4.1
155.03474	2.8
161.06082	100.0
162.06413	4.4
163.03975	3.8
185.04588	6.6
187.04005	77.3
188.04324	2.6
203.05736	1.5
205.05080	18.9
223.06120	3.0
245.06796	1.3
285.09808	4.3
323.11380	12.6
345.11850	4.2
365.12415	4.3
387.12918	2.2
469.13385	2.5
473.14621	13.3
474.14896	1.6
489.17535	1.6
491.15536	1.1
511.14578	1.5
515.15717	6.7
531.18622	1.3
728.51550	1.1
779.23975	21.6
780.24597	3.8
908.32648	1.0
985.30548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99825	0.8
69.03452	0.7
70.92418	1.3
71.01381	4.3
81.03463	0.9
83.01377	0.8
85.02947	5.6
91.05525	6.2
95.01389	1.6
97.02950	2.4
99.04527	0.8
113.02457	4.5
115.05537	75.0
116.05896	3.1
117.02049	0.7
117.03448	2.6
117.07108	24.6
118.07433	0.9
123.04511	8.6
125.02451	8.1
127.04013	1.7
133.06604	4.3
143.03522	8.5
143.05006	5.4
153.41832	0.6
155.03514	4.1
161.06078	68.4
162.06480	2.8
163.04060	1.4
185.04538	12.1
185.06062	0.9
187.03998	100.0
188.04292	5.0
205.05061	17.4
206.05493	0.7
223.06088	8.2
245.06665	2.7
265.07123	2.6
285.09805	4.8
323.11337	12.7
324.11691	1.0
345.11914	5.5
398.85666	0.7
450.89880	0.6
451.12259	2.2
451.52469	0.7
473.14499	29.2
474.15115	2.9
489.17868	2.0
511.14484	1.5
779.24030	9.5
780.24731	1.3
980.32251	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.6
71.01378	6.9
73.02941	0.7
73.35861	0.4
81.03439	0.6
83.01382	0.8
85.02940	4.1
87.00866	0.6
89.02448	3.1
91.05535	10.5
95.01366	1.2
97.02972	0.6
99.00885	0.9
101.02450	2.7
113.02441	4.8
115.05544	23.9
116.05910	0.8
117.03456	1.2
117.07108	54.8
118.07427	2.0
119.03514	1.5
123.04503	0.5
125.02442	4.8
127.04030	0.6
133.06606	7.5
135.04498	1.6
141.68509	0.5
143.03505	6.1
143.05019	2.2
155.03474	2.3
161.06082	100.0
162.06451	3.5
163.03992	4.9
179.05655	3.1
185.04541	9.7
187.04005	53.8
188.04308	2.5
192.34070	0.5
205.05055	62.4
206.05385	2.0
223.06113	13.1
224.06561	0.6
245.06671	2.1
265.07175	6.9
385.11398	2.1
391.10483	1.0
451.12442	6.9
473.14612	2.1
511.14590	16.8
512.15063	1.3
517.29175	0.6
717.20441	19.6
718.20721	3.0
879.25568	9.6
880.26233	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99822	0.7
69.32061	6.0
71.01384	4.8
72.99334	0.7
73.02953	0.9
82.20665	0.7
83.01386	1.3
85.02966	4.7
89.02400	1.5
91.05528	8.2
92.10543	0.7
93.03467	0.8
95.01358	1.0
95.05030	1.7
97.02939	1.1
98.20709	1.2
99.00903	0.8
101.02431	4.5
105.03513	0.7
113.02458	2.5
114.02827	0.7
115.05542	12.4
116.92822	0.8
117.03464	1.5
117.07107	54.1
118.07434	1.3
119.04974	0.8
123.04527	23.5
123.97074	0.8
124.04878	1.0
124.36375	0.6
125.02436	2.4
126.59377	0.6
133.06577	3.0
135.04506	2.1
136.07683	1.4
143.03491	3.7
143.05026	0.7
149.02412	1.0
150.03230	1.2
157.58279	0.6
161.06079	100.0
162.06393	4.1
163.04019	7.9
165.05653	1.0
185.04538	1.5
187.04004	30.9
188.04283	1.4
190.02638	1.3
195.06422	0.7
205.05051	76.3
206.05379	3.6
213.50529	0.6
277.80273	0.6
285.09802	2.0
316.29535	0.9
323.11691	0.7
354.85840	0.8
367.10397	0.9
452.29453	0.8
473.14658	2.0
491.15582	7.6
635.21283	0.9
677.41754	0.8
925.50879	2.3
943.51398	1.7
985.29718	15.9
985.49182	1.1
986.29810	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	985.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	2.8
71.55407	0.8
75.00874	0.3
81.03474	0.4
83.01378	0.7
85.02946	1.7
91.05518	3.5
93.03426	0.5
97.03001	0.6
113.02441	2.0
115.05534	72.7
116.05901	2.3
117.03449	1.9
117.07103	14.7
121.02970	0.6
123.04520	2.8
125.02477	3.2
127.03996	0.6
133.06580	4.7
134.63747	0.4
135.04468	1.0
143.03479	3.3
143.05031	6.1
155.03506	1.3
161.06073	40.2
162.06436	1.5
163.03979	2.4
185.04543	7.0
187.03993	100.0
188.04332	4.2
205.05043	16.7
206.05443	0.7
221.09731	0.6
223.06087	9.4
224.06505	0.5
245.06667	1.3
265.07245	2.5
279.27408	0.4
285.09784	0.7
345.11603	0.5
391.10144	0.6
451.12491	1.8
473.14478	31.8
474.15002	3.1
518.12775	0.4
779.24438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5019
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	3.4
70.70233	6.5
70.70618	5.4
71.01003	3.8
71.01385	61.5
72.99296	7.4
73.02956	24.1
79.95732	3.7
81.03449	5.4
83.01380	15.8
85.02948	45.8
85.46123	2.9
86.00085	5.9
87.00874	14.5
89.02444	11.4
95.01388	10.3
96.95996	7.2
97.02936	9.0
99.00867	10.3
101.02439	46.2
111.00867	13.6
112.01646	7.5
113.02452	39.9
115.05549	25.5
117.07091	5.9
119.03506	4.2
123.04464	4.0
124.01662	4.0
125.02454	22.0
127.03979	3.5
131.03494	3.2
136.01663	5.8
141.68007	3.1
143.03479	10.3
150.03198	6.1
151.03952	8.0
159.03035	5.8
161.04558	8.5
161.06081	15.9
161.16780	3.2
163.04022	5.4
165.05525	3.5
167.03506	3.4
170.32118	3.0
181.05020	3.6
187.04007	29.2
195.06624	3.4
201.57961	2.7
205.05032	3.9
215.03328	2.6
240.07874	7.1
255.10463	3.4
265.07779	3.1
327.12384	5.1
335.05911	14.0
357.13388	5.1
387.14322	3.3
447.33417	15.3
467.22995	3.5
473.14597	2.7
482.91693	3.3
492.26016	3.2
513.07654	3.0
534.48248	2.8
593.38379	3.5
609.38605	14.5
737.43335	14.3
755.44629	24.9
790.18048	3.0
797.45111	5.2
807.56445	3.5
883.49078	100.0
884.49280	17.7
901.50165	98.2
901.67969	4.0
902.51025	15.6
914.89764	3.1
927.52393	5.6
943.51141	42.0
944.50842	7.2
948.82770	3.2
1009.28375	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	987.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55945	10.8
85.95705	6.8
89.02451	9.8
101.02424	8.1
193.69559	6.5
197.63341	8.0
202.91585	6.4
215.12315	6.4
218.05771	6.8
235.08138	7.8
275.20279	12.5
277.21741	36.2
293.21252	100.0
337.57501	6.6
379.12524	10.8
385.54449	7.4
397.13528	57.3
412.11911	6.8
987.54712	37.3
988.55170	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	987.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	33.8
72.99314	2.1
73.02937	5.6
83.01382	6.1
85.02953	16.3
87.00890	2.6
88.64973	1.4
88.98877	1.5
89.02446	13.9
95.01375	4.7
96.95992	1.3
99.00844	2.5
101.02454	21.7
113.02457	18.0
115.05534	9.3
119.03492	4.8
119.04964	1.3
121.02962	3.3
123.04501	2.2
125.02461	2.2
135.04567	2.2
136.01706	1.6
137.02426	1.6
143.03506	1.9
143.05014	2.1
145.02953	1.7
149.02420	2.5
150.03212	6.4
159.03091	1.8
161.04544	5.1
161.06090	5.4
162.71924	1.5
163.04008	3.5
164.04774	3.4
165.05547	4.9
175.04083	2.5
179.05583	3.4
179.07082	2.2
181.05066	2.3
187.04039	13.9
194.05653	1.6
195.06604	5.2
199.85916	1.5
201.17282	1.4
205.05093	3.6
207.06635	3.0
220.97957	1.4
227.06915	2.1
240.04208	4.4
255.06664	2.8
271.09653	1.6
295.05765	1.5
298.08359	4.1
313.10977	7.1
326.11469	1.8
343.11856	7.9
368.77316	1.6
373.12924	1.6
383.17218	1.9
458.60620	1.4
467.22339	2.3
473.14182	2.0
654.52991	1.5
729.22540	1.5
927.53278	100.0
928.53583	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	989.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99848	0.3
69.03446	0.4
69.34006	0.7
69.34424	1.9
71.01387	9.4
72.99298	1.7
73.02940	2.2
75.00879	0.3
76.85512	0.3
83.01382	1.1
85.02950	3.9
87.00894	1.6
89.02451	7.5
95.01394	0.7
97.02934	0.8
99.00919	0.5
101.02451	5.8
103.04037	1.0
109.02943	0.9
113.02449	2.7
116.92829	0.4
119.03521	2.3
123.04502	0.5
125.02475	0.4
127.00444	0.4
127.27430	0.4
143.03482	1.1
161.02460	0.3
161.04552	1.0
163.06104	0.9
179.03371	0.4
179.05646	1.7
190.01997	0.4
195.06508	0.5
212.04790	0.4
213.05560	9.6
214.06055	0.4
227.07077	0.6
240.04501	0.7
241.05072	29.3
242.05479	1.5
254.05690	0.4
255.06612	8.2
256.07407	67.4
257.07721	3.8
269.08145	0.5
270.08929	2.8
271.09756	59.4
272.10065	3.4
285.04361	0.4
313.10751	1.6
323.09927	0.4
341.10883	7.0
342.11401	0.4
351.12241	0.4
379.11865	0.9
383.11935	1.5
409.09875	5.9
410.10205	0.4
415.13959	1.2
433.15125	4.9
466.81650	0.4
539.45886	0.4
579.20825	100.0
580.21191	10.2
597.71490	0.3
603.20807	0.9
621.21802	1.4
647.19818	7.4
647.29852	0.6
648.19910	1.1
689.21375	0.4
845.67181	0.4
989.31982	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01363	28.1
71.54810	10.5
73.02932	16.5
85.02925	17.2
88.98802	34.6
89.02434	23.6
101.02452	21.1
113.02413	24.1
115.05540	63.0
117.07067	13.2
119.76549	12.0
123.04478	15.9
128.58490	10.4
133.06601	14.2
136.24150	11.7
150.03148	12.4
161.04785	11.4
161.06050	48.3
163.03922	14.3
165.05447	13.4
182.10147	13.4
187.03990	100.0
188.04422	14.1
279.58835	11.2
312.52823	11.2
342.11188	14.3
473.14371	30.3
509.69415	12.1
603.39209	14.1
927.51776	72.6
928.51868	14.8
990.51105	20.6
1001.23999	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	990.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	32.5
74.93812	8.0
83.01354	11.8
85.02944	17.5
89.02442	11.7
93.59097	11.0
101.02426	18.9
113.02470	13.8
115.05527	56.1
117.07085	26.7
125.02442	13.3
161.06070	41.3
162.06396	22.8
163.03975	15.1
165.05595	12.3
187.04002	86.6
188.04337	36.6
205.05064	11.6
210.33594	9.3
473.14218	19.6
781.45752	14.7
927.52179	100.0
928.52289	25.7
990.50641	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	990.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	40.4
82.94103	14.6
85.02931	17.4
87.00901	18.7
89.02435	24.3
92.83980	12.3
96.01022	13.8
101.02435	28.5
113.02489	18.9
115.05544	95.0
117.07053	19.2
120.74036	13.3
123.04559	20.2
133.88148	13.1
143.05145	15.1
161.06039	42.0
162.06447	21.5
163.04021	22.1
187.03995	69.9
188.04311	15.7
229.26157	15.8
231.46376	15.1
232.88515	16.9
283.06186	12.4
473.14584	21.1
773.88348	16.6
927.52002	100.0
990.51288	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
69.77511	12.5
70.19700	51.0
71.01377	55.4
73.02934	29.4
83.01386	22.3
85.02950	32.7
87.00919	16.4
87.59467	13.4
89.02423	20.3
101.02446	54.7
113.02428	29.6
115.05518	62.0
116.92905	25.4
143.03442	18.0
149.02420	16.4
150.03230	24.2
161.04608	20.6
161.06068	38.6
162.06393	15.3
163.03900	13.9
175.02547	15.8
180.04251	13.8
187.04010	66.5
188.04312	21.7
238.02089	14.6
351.80643	14.8
615.19073	15.8
780.97968	14.7
930.54871	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	990.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	51.3
71.11075	32.9
75.00823	19.8
78.82509	15.4
83.01414	19.8
85.02975	30.0
88.98814	37.2
89.02438	19.3
95.01420	20.5
99.00864	20.2
101.02460	35.0
113.02426	40.2
115.05534	94.6
117.07117	22.2
121.02963	27.3
125.02448	24.0
133.06549	19.7
161.02463	17.1
161.06018	39.8
163.03976	51.6
164.82019	16.5
165.05502	34.4
175.02504	27.3
179.03386	20.6
187.03943	100.0
188.04295	20.4
205.05032	28.7
209.19174	19.6
243.10115	18.3
326.81052	21.4
361.16577	22.0
473.14709	32.2
523.21545	20.1
727.00714	17.9
797.98004	21.0
930.53900	52.8
1009.67578	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	990.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27666	1.5
69.28071	4.3
77.20474	0.6
78.95901	24.6
88.98812	0.5
94.28040	0.6
96.19655	0.6
113.07174	0.5
116.92834	2.1
122.00110	0.9
140.01183	4.0
142.67247	0.5
152.99571	1.4
164.98488	0.5
196.03793	9.0
214.04817	2.1
228.79028	0.6
279.23276	100.0
280.23734	5.5
341.41348	0.6
358.04242	0.6
476.27811	86.8
477.28046	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	995.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	22.3
71.56324	1.0
72.99294	2.0
73.02947	1.9
77.09928	0.7
83.01384	1.9
85.02954	2.8
87.00880	56.3
89.02455	2.2
99.00858	1.1
101.02440	3.3
111.00941	1.0
112.98761	1.2
113.02465	3.4
115.00374	60.9
119.03517	1.3
122.06119	1.1
123.45646	0.7
125.02447	1.2
127.00386	1.4
134.06116	1.8
135.02766	0.8
136.01666	1.0
148.07684	2.1
161.02420	0.9
165.05615	1.1
168.07875	0.8
175.02478	100.0
176.02852	2.2
190.51993	0.7
218.08179	4.5
227.03577	1.0
241.09663	0.9
251.11778	1.1
255.02933	2.0
263.08133	0.9
267.07797	1.7
268.08774	1.0
269.09491	1.1
271.02386	1.1
279.07651	1.1
284.03247	3.3
285.04077	3.1
291.11310	0.7
300.02692	0.9
301.03619	1.0
302.10645	1.3
317.12991	2.4
318.12778	0.9
331.17398	1.0
345.12271	2.5
360.13580	2.2
370.12128	1.0
388.12955	17.4
389.13519	1.2
398.14688	5.6
412.13516	0.8
414.14706	1.0
418.14267	0.9
446.13705	3.1
463.08777	0.9
577.15350	3.3
666.26617	1.4
722.21899	0.9
736.23846	3.0
737.24976	1.8
751.26361	1.3
754.24390	1.9
769.27185	16.7
770.27631	2.4
787.28241	15.6
788.28497	2.5
801.30042	7.7
802.30402	1.3
809.27063	1.1
819.31097	13.0
820.31653	2.1
823.29309	0.8
827.27887	3.2
828.28448	1.2
841.28918	2.1
845.29065	3.2
859.29956	1.7
877.31384	2.1
888.15338	0.8
995.34485	1.2
1023.52228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20359	3.6
69.20789	2.2
71.01385	21.4
72.99310	2.4
73.02953	2.1
75.00859	1.6
75.97610	0.5
83.01385	2.5
85.02954	2.3
87.00879	54.6
88.01226	0.7
88.98804	1.0
89.02451	2.2
101.02431	2.1
111.00899	1.5
112.98798	1.2
113.02487	2.2
115.00377	61.2
116.00724	0.6
119.05020	0.7
122.06117	1.5
123.04535	0.9
125.02480	1.1
125.33453	0.6
127.00397	0.6
134.06131	1.3
135.02989	1.8
139.00357	1.6
148.07683	1.5
157.01440	2.7
160.04030	1.2
161.04593	0.6
164.04950	0.6
165.05569	0.7
174.05482	0.9
175.02480	100.0
176.02831	2.5
176.07213	0.6
190.08716	0.7
214.86328	0.5
218.08199	4.1
239.08208	0.7
241.04987	0.6
251.12061	0.9
265.06143	0.6
266.06824	0.5
267.07721	1.6
267.11331	0.7
271.09601	0.8
279.07800	0.7
281.40689	0.6
281.43719	0.6
285.03961	0.7
285.12796	0.7
293.09259	0.5
295.07309	0.7
302.10513	0.9
309.08545	0.8
317.09488	0.7
317.13016	2.0
318.12607	0.9
321.08972	0.7
345.12469	3.4
346.12094	0.7
360.13541	2.4
387.12601	0.6
388.13028	15.7
389.13406	1.5
398.14819	3.8
414.14703	1.1
442.14169	0.7
446.13312	1.1
454.14462	0.8
656.42645	0.6
666.26697	1.0
722.21472	1.3
726.25446	0.9
736.23816	3.6
737.24060	0.7
751.26343	1.1
754.24426	2.1
769.27264	15.5
770.28113	2.7
783.28296	1.6
787.28326	13.2
788.29022	2.3
801.29858	7.6
802.30170	1.5
809.26819	1.0
812.25366	1.3
819.31049	18.4
820.31366	2.2
827.28345	2.1
841.30035	1.3
845.29510	1.5
859.30530	1.8
877.31744	1.1
935.32672	1.3
959.51642	0.9
995.49451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	22.3
71.56324	1.0
72.99294	2.0
73.02947	1.9
77.09928	0.7
83.01384	1.9
85.02954	2.8
87.00880	56.3
89.02455	2.2
99.00858	1.1
101.02440	3.3
111.00941	1.0
112.98761	1.2
113.02465	3.4
115.00374	60.9
119.03517	1.3
122.06119	1.1
123.45646	0.7
125.02447	1.2
127.00386	1.4
134.06116	1.8
135.02766	0.8
136.01666	1.0
148.07684	2.1
161.02420	0.9
165.05615	1.1
168.07875	0.8
175.02478	100.0
176.02852	2.2
190.51993	0.7
218.08179	4.5
227.03577	1.0
241.09663	0.9
251.11778	1.1
255.02933	2.0
263.08133	0.9
267.07797	1.7
268.08774	1.0
269.09491	1.1
271.02386	1.1
279.07651	1.1
284.03247	3.3
285.04077	3.1
291.11310	0.7
300.02692	0.9
301.03619	1.0
302.10645	1.3
317.12991	2.4
318.12778	0.9
331.17398	1.0
345.12271	2.5
360.13580	2.2
370.12128	1.0
388.12955	17.4
389.13519	1.2
398.14688	5.6
412.13516	0.8
414.14706	1.0
418.14267	0.9
446.13705	3.1
463.08777	0.9
577.15350	3.3
666.26617	1.4
722.21899	0.9
736.23846	3.0
737.24976	1.8
751.26361	1.3
754.24390	1.9
769.27185	16.7
770.27631	2.4
787.28241	15.6
788.28497	2.5
801.30042	7.7
802.30402	1.3
809.27063	1.1
819.31097	13.0
820.31653	2.1
823.29309	0.8
827.27887	3.2
828.28448	1.2
841.28918	2.1
845.29065	3.2
859.29956	1.7
877.31384	2.1
888.15338	0.8
995.34485	1.2
1023.52228	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55774	0.3
78.95905	8.3
79.86029	0.2
90.12667	0.2
96.50663	0.2
96.96983	0.3
102.01671	0.2
140.01187	1.6
141.22923	0.2
152.99567	1.4
169.22006	0.2
171.00557	0.6
187.94139	0.2
196.03734	0.9
214.04863	2.9
261.22195	0.5
279.23276	100.0
280.23633	5.0
355.51483	0.2
430.11011	0.2
461.59143	0.2
476.27817	51.4
477.28244	3.2
709.38062	0.2
834.76611	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27595	0.2
69.36156	1.3
69.36567	0.6
74.46414	0.2
78.95904	31.3
96.96947	0.6
98.19913	0.4
122.00115	0.8
131.04240	0.3
140.00075	0.4
140.01183	7.1
152.99590	3.2
166.02625	0.4
171.00630	1.3
196.03789	10.1
214.04807	2.6
220.63052	0.2
242.95999	0.3
279.23276	100.0
280.23636	5.8
358.74579	0.3
407.13330	0.3
476.27814	92.7
477.28162	7.3
491.87814	0.3
665.61652	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
89.78631	82.1
107.24615	97.7
194.84059	81.2
281.76962	81.5
298.94000	86.6
369.30322	85.1
629.72260	96.0
809.00800	90.0
1006.96826	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	999.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	5.9
71.04389	0.4
72.99303	0.4
73.02937	1.5
75.00864	0.3
79.17781	0.2
79.89027	0.2
83.01391	1.0
85.02950	3.2
87.00874	1.2
88.98791	0.4
89.02456	2.3
91.05576	0.2
95.01400	1.6
95.05032	0.2
96.96022	0.3
97.02940	0.2
99.00850	0.2
101.02449	4.9
113.02448	7.9
115.00367	0.7
115.05536	61.2
116.05868	2.1
117.03465	1.9
117.07103	9.6
118.07457	0.3
119.03497	1.3
121.02985	0.4
123.04529	3.3
125.02435	0.4
131.03494	0.7
135.04535	0.2
143.03502	0.6
143.05020	7.0
149.02443	0.3
149.04532	1.1
150.03268	0.3
153.49475	0.2
161.04601	3.1
161.06061	27.5
162.06403	1.1
167.03601	0.2
175.02493	1.6
176.02853	0.2
179.05585	0.3
187.03996	100.0
188.04344	4.5
205.05049	4.9
205.06552	0.1
221.06630	1.5
221.09796	0.4
232.44722	0.2
267.10257	0.3
323.11316	1.0
345.11963	0.3
367.10074	0.5
427.12473	2.6
473.14487	71.7
474.14862	7.4
474.24936	0.3
515.15564	2.9
516.16388	0.3
543.28076	0.4
653.20587	1.0
695.21869	87.9
696.22223	11.8
741.23706	0.5
963.31494	0.6
999.28491	1.6
1000.31396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	2.7
72.99299	0.5
73.02946	0.8
81.03439	0.6
83.01385	1.9
85.02943	4.3
87.00872	1.5
88.98797	1.7
91.05531	15.3
93.03446	0.6
95.05019	0.5
97.02964	1.6
98.19865	1.4
99.21643	0.4
101.02475	2.0
113.02441	0.9
115.05538	47.1
116.05868	1.5
116.92863	0.7
117.03461	2.2
117.07104	25.1
118.03818	0.5
118.07444	1.2
119.03454	0.7
123.04515	9.2
125.02455	3.8
133.06596	37.4
134.06947	0.9
135.04532	2.4
143.03479	7.1
143.05014	6.8
143.42947	0.4
144.03839	0.4
157.05025	0.7
161.06073	100.0
162.06419	3.3
163.04010	42.8
164.04324	1.3
167.03450	0.8
175.07590	0.7
177.05562	6.4
185.04550	4.5
187.03999	77.0
188.04321	3.0
205.05046	5.3
213.05675	0.6
219.06628	5.7
230.44272	0.4
237.07677	61.0
238.07999	2.5
241.05022	1.0
256.07391	2.5
271.09750	2.0
285.09808	4.5
323.11337	25.0
324.11554	1.1
345.11969	3.2
433.14990	1.2
461.23849	0.5
473.14517	12.3
473.21201	0.8
474.14972	1.5
489.17560	2.8
731.22198	2.2
809.27429	0.5
925.27338	0.5
999.31409	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	999.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79876	0.3
69.80276	0.7
71.01379	0.4
82.95449	0.1
85.02972	0.3
91.05524	1.1
93.03445	0.7
95.05052	0.3
101.02443	0.2
107.05038	0.3
113.02471	0.3
115.05537	86.6
116.05873	2.4
117.03465	2.8
117.07105	9.0
118.07426	0.2
121.02951	0.3
123.04520	3.8
131.04982	0.2
133.06593	1.6
135.04488	0.2
137.06113	0.4
143.03400	0.3
143.05029	7.7
144.05328	0.2
149.02449	0.2
161.06075	16.2
162.06404	0.6
163.04001	1.8
177.05540	0.2
187.04001	100.0
188.04338	3.9
198.62270	0.2
205.05055	10.3
206.05426	0.3
219.06638	0.5
221.09703	0.5
223.11371	0.2
237.07649	1.5
267.10446	0.2
282.15625	0.2
285.09723	0.2
462.26813	0.2
473.14502	27.1
474.14877	2.3
497.28192	0.2
505.17374	0.2
735.84430	0.2
999.30798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	42.1
71.56388	0.6
71.56773	0.6
72.01718	0.5
72.99295	2.1
73.02947	18.4
75.00867	1.0
81.03448	1.1
83.01387	7.8
85.02444	1.0
85.02946	18.2
87.00879	5.4
87.04504	1.4
88.98829	1.4
89.01920	0.9
89.02442	13.4
89.62125	0.5
93.03462	0.7
95.01395	3.6
97.02951	2.4
99.00883	4.8
101.02442	32.9
103.03999	1.9
111.00853	0.9
113.02449	18.5
115.00346	0.8
115.03999	1.2
119.03511	5.2
119.05037	0.7
123.04502	1.8
125.02457	4.2
127.07642	2.2
129.01810	0.6
131.03471	2.4
134.06116	0.6
135.04535	0.7
137.02406	0.9
141.09256	0.7
143.03494	5.7
147.99338	0.5
149.02420	0.5
149.04526	1.4
150.03172	1.2
159.02972	3.7
161.04549	20.2
163.06110	4.3
165.05524	1.0
167.03491	5.9
171.06616	1.5
175.02454	1.9
179.05595	1.7
179.07021	0.6
187.13353	3.1
195.06584	1.0
203.05605	1.9
205.07187	2.7
221.06587	0.7
247.08202	1.7
265.09409	0.7
273.07697	8.6
274.08105	0.8
285.04031	0.6
302.54117	0.5
313.16394	1.0
315.08685	0.7
331.17587	21.5
332.18170	1.2
345.09299	0.6
349.18646	19.1
350.19070	1.1
373.18683	2.2
391.19724	30.4
392.20154	2.0
435.13275	2.5
459.22678	1.0
477.23383	41.9
478.23676	3.5
519.24438	100.0
520.24792	9.5
521.25439	1.0
579.15680	0.6
839.03265	0.7
END